instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_866>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_866>. | **Token:** <BB_866>
**SMILES:** CNC(=O)C(c1ccccc1)N1CCNCC1
**Molecular Formula:** C13H19N3O
**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, Amide | |
Provide the SMILES representation for the building block token <BB_867>. | CC(Br)c1ccccc1F | |
What is the building block token for the following molecule? | CC(Br)c1ccccc1F | <BB_867> |
What is the molecular formula for <BB_867>? | The molecular formula for <BB_867> (CC(Br)c1ccccc1F) is C8H8BrF. | |
Describe the ring structures in building block <BB_867>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_867>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_867>. | **Token:** <BB_867>
**SMILES:** CC(Br)c1ccccc1F
**Molecular Formula:** C8H8BrF
**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_868>. | OCC1CC(CC(F)(F)F)C1 | |
What is the building block token for the following molecule? | OCC1CC(CC(F)(F)F)C1 | <BB_868> |
What is the molecular formula for <BB_868>? | The molecular formula for <BB_868> (OCC1CC(CC(F)(F)F)C1) is C7H11F3O. | |
Describe the ring structures in building block <BB_868>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_868>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_868>. | **Token:** <BB_868>
**SMILES:** OCC1CC(CC(F)(F)F)C1
**Molecular Formula:** C7H11F3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_869>. | FC(F)(F)c1nnnn1C1CCNCC1 | |
What is the building block token for the following molecule? | FC(F)(F)c1nnnn1C1CCNCC1 | <BB_869> |
What is the molecular formula for <BB_869>? | The molecular formula for <BB_869> (FC(F)(F)c1nnnn1C1CCNCC1) is C7H10F3N5. | |
Describe the ring structures in building block <BB_869>. | 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_869>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_869>. | **Token:** <BB_869>
**SMILES:** FC(F)(F)c1nnnn1C1CCNCC1
**Molecular Formula:** C7H10F3N5
**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_870>. | Cn1cc(C(N)CNC(=O)OC(C)(C)C)cn1 | |
What is the building block token for the following molecule? | Cn1cc(C(N)CNC(=O)OC(C)(C)C)cn1 | <BB_870> |
What is the molecular formula for <BB_870>? | The molecular formula for <BB_870> (Cn1cc(C(N)CNC(=O)OC(C)(C)C)cn1) is C11H20N4O2. | |
Describe the ring structures in building block <BB_870>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_870>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_870>. | **Token:** <BB_870>
**SMILES:** Cn1cc(C(N)CNC(=O)OC(C)(C)C)cn1
**Molecular Formula:** C11H20N4O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_871>. | NCC1=NOC2(CCC2)C1 | |
What is the building block token for the following molecule? | NCC1=NOC2(CCC2)C1 | <BB_871> |
What is the molecular formula for <BB_871>? | The molecular formula for <BB_871> (NCC1=NOC2(CCC2)C1) is C7H12N2O. | |
Describe the ring structures in building block <BB_871>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_871>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_871>. | **Token:** <BB_871>
**SMILES:** NCC1=NOC2(CCC2)C1
**Molecular Formula:** C7H12N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_872>. | Cn1ccnc1C(O)(CCN)C(F)(F)F | |
What is the building block token for the following molecule? | Cn1ccnc1C(O)(CCN)C(F)(F)F | <BB_872> |
What is the molecular formula for <BB_872>? | The molecular formula for <BB_872> (Cn1ccnc1C(O)(CCN)C(F)(F)F) is C8H12F3N3O. | |
Describe the ring structures in building block <BB_872>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_872>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_872>. | **Token:** <BB_872>
**SMILES:** Cn1ccnc1C(O)(CCN)C(F)(F)F
**Molecular Formula:** C8H12F3N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_873>. | CCn1ncc2c(NN)ncnc21 | |
What is the building block token for the following molecule? | CCn1ncc2c(NN)ncnc21 | <BB_873> |
What is the molecular formula for <BB_873>? | The molecular formula for <BB_873> (CCn1ncc2c(NN)ncnc21) is C7H10N6. | |
Describe the ring structures in building block <BB_873>. | 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_873>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_873>. | **Token:** <BB_873>
**SMILES:** CCn1ncc2c(NN)ncnc21
**Molecular Formula:** C7H10N6
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_874>. | CCC1(NC(=O)OC(C)(C)C)CCNCC1 | |
What is the building block token for the following molecule? | CCC1(NC(=O)OC(C)(C)C)CCNCC1 | <BB_874> |
What is the molecular formula for <BB_874>? | The molecular formula for <BB_874> (CCC1(NC(=O)OC(C)(C)C)CCNCC1) is C12H24N2O2. | |
Describe the ring structures in building block <BB_874>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_874>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_874>. | **Token:** <BB_874>
**SMILES:** CCC1(NC(=O)OC(C)(C)C)CCNCC1
**Molecular Formula:** C12H24N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_875>. | COc1cc(F)c(C#N)cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | COc1cc(F)c(C#N)cc1[N+](=O)[O-] | <BB_875> |
What is the molecular formula for <BB_875>? | The molecular formula for <BB_875> (COc1cc(F)c(C#N)cc1[N+](=O)[O-]) is C8H5FN2O3. | |
Describe the ring structures in building block <BB_875>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_875>. | The molecule contains the following groups: Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitrile, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_875>. | **Token:** <BB_875>
**SMILES:** COc1cc(F)c(C#N)cc1[N+](=O)[O-]
**Molecular Formula:** C8H5FN2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitrile, Nitro | |
Provide the SMILES representation for the building block token <BB_876>. | COC(=O)c1cc([N+](=O)[O-])c(C)c(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | COC(=O)c1cc([N+](=O)[O-])c(C)c(C(F)(F)F)c1 | <BB_876> |
What is the molecular formula for <BB_876>? | The molecular formula for <BB_876> (COC(=O)c1cc([N+](=O)[O-])c(C)c(C(F)(F)F)c1) is C10H8F3NO4. | |
Describe the ring structures in building block <BB_876>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_876>. | The molecule contains the following groups: Tertiary Amine, Ester, Ether, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_876>. | **Token:** <BB_876>
**SMILES:** COC(=O)c1cc([N+](=O)[O-])c(C)c(C(F)(F)F)c1
**Molecular Formula:** C10H8F3NO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ester, Ether, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_877>. | CCN(CC)C(=O)c1c(Cl)c(OC)cc(OC)c1Cl | |
What is the building block token for the following molecule? | CCN(CC)C(=O)c1c(Cl)c(OC)cc(OC)c1Cl | <BB_877> |
What is the molecular formula for <BB_877>? | The molecular formula for <BB_877> (CCN(CC)C(=O)c1c(Cl)c(OC)cc(OC)c1Cl) is C13H17Cl2NO3. | |
Describe the ring structures in building block <BB_877>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_877>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_877>. | **Token:** <BB_877>
**SMILES:** CCN(CC)C(=O)c1c(Cl)c(OC)cc(OC)c1Cl
**Molecular Formula:** C13H17Cl2NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_878>. | Nc1ccc(Oc2cccc(F)c2)c(Br)c1 | |
What is the building block token for the following molecule? | Nc1ccc(Oc2cccc(F)c2)c(Br)c1 | <BB_878> |
What is the molecular formula for <BB_878>? | The molecular formula for <BB_878> (Nc1ccc(Oc2cccc(F)c2)c(Br)c1) is C12H9BrFNO. | |
Describe the ring structures in building block <BB_878>. | 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_878>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_878>. | **Token:** <BB_878>
**SMILES:** Nc1ccc(Oc2cccc(F)c2)c(Br)c1
**Molecular Formula:** C12H9BrFNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_879>. | Cn1nc(C(=O)O)nc1O | |
What is the building block token for the following molecule? | Cn1nc(C(=O)O)nc1O | <BB_879> |
What is the molecular formula for <BB_879>? | The molecular formula for <BB_879> (Cn1nc(C(=O)O)nc1O) is C4H5N3O3. | |
Describe the ring structures in building block <BB_879>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_879>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_879>. | **Token:** <BB_879>
**SMILES:** Cn1nc(C(=O)O)nc1O
**Molecular Formula:** C4H5N3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_880>. | C[C@@H](N)C(C)(C)O.Cl | |
What is the building block token for the following molecule? | C[C@@H](N)C(C)(C)O.Cl | <BB_880> |
What is the molecular formula for <BB_880>? | The molecular formula for <BB_880> (C[C@@H](N)C(C)(C)O.Cl) is C5H14ClNO. | |
Describe the ring structures in building block <BB_880>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_880>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_880>. | **Token:** <BB_880>
**SMILES:** C[C@@H](N)C(C)(C)O.Cl
**Molecular Formula:** C5H14ClNO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_881>. | CCOC(=O)c1cccc(C(=O)O)c1 | |
What is the building block token for the following molecule? | CCOC(=O)c1cccc(C(=O)O)c1 | <BB_881> |
What is the molecular formula for <BB_881>? | The molecular formula for <BB_881> (CCOC(=O)c1cccc(C(=O)O)c1) is C10H10O4. | |
Describe the ring structures in building block <BB_881>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_881>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_881>. | **Token:** <BB_881>
**SMILES:** CCOC(=O)c1cccc(C(=O)O)c1
**Molecular Formula:** C10H10O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_882>. | CC(C)C(NS(=O)(=O)c1ccc(Br)s1)C(=O)O | |
What is the building block token for the following molecule? | CC(C)C(NS(=O)(=O)c1ccc(Br)s1)C(=O)O | <BB_882> |
What is the molecular formula for <BB_882>? | The molecular formula for <BB_882> (CC(C)C(NS(=O)(=O)c1ccc(Br)s1)C(=O)O) is C9H12BrNO4S2. | |
Describe the ring structures in building block <BB_882>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_882>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_882>. | **Token:** <BB_882>
**SMILES:** CC(C)C(NS(=O)(=O)c1ccc(Br)s1)C(=O)O
**Molecular Formula:** C9H12BrNO4S2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_883>. | CC1(C)OB(c2cccc3oc(=O)[nH]c23)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2cccc3oc(=O)[nH]c23)OC1(C)C | <BB_883> |
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