instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1500>. | CCC(c1nnc(S)n1Cc1ccccc1)N(C)C | |
What is the building block token for the following molecule? | CCC(c1nnc(S)n1Cc1ccccc1)N(C)C | <BB_1500> |
What is the molecular formula for <BB_1500>? | The molecular formula for <BB_1500> (CCC(c1nnc(S)n1Cc1ccccc1)N(C)C) is C14H20N4S. | |
Describe the ring structures in building block <BB_1500>. | 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_1500>. | The molecule contains the following groups: Tertiary Amine, Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_1500>. | **Token:** <BB_1500>
**SMILES:** CCC(c1nnc(S)n1Cc1ccccc1)N(C)C
**Molecular Formula:** C14H20N4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Thiol | |
Provide the SMILES representation for the building block token <BB_1501>. | O=c1ccc2c(Br)ccc(F)c2[nH]1 | |
What is the building block token for the following molecule? | O=c1ccc2c(Br)ccc(F)c2[nH]1 | <BB_1501> |
What is the molecular formula for <BB_1501>? | The molecular formula for <BB_1501> (O=c1ccc2c(Br)ccc(F)c2[nH]1) is C9H5BrFNO. | |
Describe the ring structures in building block <BB_1501>. | 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_1501>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1501>. | **Token:** <BB_1501>
**SMILES:** O=c1ccc2c(Br)ccc(F)c2[nH]1
**Molecular Formula:** C9H5BrFNO
**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_1502>. | Cn1ccnc1S(C)(=N)=O | |
What is the building block token for the following molecule? | Cn1ccnc1S(C)(=N)=O | <BB_1502> |
What is the molecular formula for <BB_1502>? | The molecular formula for <BB_1502> (Cn1ccnc1S(C)(=N)=O) is C5H9N3OS. | |
Describe the ring structures in building block <BB_1502>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1502>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1502>. | **Token:** <BB_1502>
**SMILES:** Cn1ccnc1S(C)(=N)=O
**Molecular Formula:** C5H9N3OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1503>. | O=C([O-])c1cnc(C(F)F)o1.[Li+] | |
What is the building block token for the following molecule? | O=C([O-])c1cnc(C(F)F)o1.[Li+] | <BB_1503> |
What is the molecular formula for <BB_1503>? | The molecular formula for <BB_1503> (O=C([O-])c1cnc(C(F)F)o1.[Li+]) is C5H2F2LiNO3. | |
Describe the ring structures in building block <BB_1503>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1503>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1503>. | **Token:** <BB_1503>
**SMILES:** O=C([O-])c1cnc(C(F)F)o1.[Li+]
**Molecular Formula:** C5H2F2LiNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1504>. | Cc1nc2cc(F)ccc2s1 | |
What is the building block token for the following molecule? | Cc1nc2cc(F)ccc2s1 | <BB_1504> |
What is the molecular formula for <BB_1504>? | The molecular formula for <BB_1504> (Cc1nc2cc(F)ccc2s1) is C8H6FNS. | |
Describe the ring structures in building block <BB_1504>. | 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_1504>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1504>. | **Token:** <BB_1504>
**SMILES:** Cc1nc2cc(F)ccc2s1
**Molecular Formula:** C8H6FNS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1505>. | Cl.NCc1cccc(OC(F)F)c1F | |
What is the building block token for the following molecule? | Cl.NCc1cccc(OC(F)F)c1F | <BB_1505> |
What is the molecular formula for <BB_1505>? | The molecular formula for <BB_1505> (Cl.NCc1cccc(OC(F)F)c1F) is C8H9ClF3NO. | |
Describe the ring structures in building block <BB_1505>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1505>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1505>. | **Token:** <BB_1505>
**SMILES:** Cl.NCc1cccc(OC(F)F)c1F
**Molecular Formula:** C8H9ClF3NO
**Ring System:** The molecule contains 1 ring(s): 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_1506>. | Cc1nc(-c2ccccc2)oc1CN | |
What is the building block token for the following molecule? | Cc1nc(-c2ccccc2)oc1CN | <BB_1506> |
What is the molecular formula for <BB_1506>? | The molecular formula for <BB_1506> (Cc1nc(-c2ccccc2)oc1CN) is C11H12N2O. | |
Describe the ring structures in building block <BB_1506>. | 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_1506>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1506>. | **Token:** <BB_1506>
**SMILES:** Cc1nc(-c2ccccc2)oc1CN
**Molecular Formula:** C11H12N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1507>. | CCNc1ccc(C)c(C)c1.Cl | |
What is the building block token for the following molecule? | CCNc1ccc(C)c(C)c1.Cl | <BB_1507> |
What is the molecular formula for <BB_1507>? | The molecular formula for <BB_1507> (CCNc1ccc(C)c(C)c1.Cl) is C10H16ClN. | |
Describe the ring structures in building block <BB_1507>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1507>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1507>. | **Token:** <BB_1507>
**SMILES:** CCNc1ccc(C)c(C)c1.Cl
**Molecular Formula:** C10H16ClN
**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_1508>. | Cl.Cl.Cn1c(CCN)nc2cc(Cl)ccc21 | |
What is the building block token for the following molecule? | Cl.Cl.Cn1c(CCN)nc2cc(Cl)ccc21 | <BB_1508> |
What is the molecular formula for <BB_1508>? | The molecular formula for <BB_1508> (Cl.Cl.Cn1c(CCN)nc2cc(Cl)ccc21) is C10H14Cl3N3. | |
Describe the ring structures in building block <BB_1508>. | 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_1508>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1508>. | **Token:** <BB_1508>
**SMILES:** Cl.Cl.Cn1c(CCN)nc2cc(Cl)ccc21
**Molecular Formula:** C10H14Cl3N3
**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_1509>. | Nc1c(Cl)cc(Cl)cc1C(=O)O | |
What is the building block token for the following molecule? | Nc1c(Cl)cc(Cl)cc1C(=O)O | <BB_1509> |
What is the molecular formula for <BB_1509>? | The molecular formula for <BB_1509> (Nc1c(Cl)cc(Cl)cc1C(=O)O) is C7H5Cl2NO2. | |
Describe the ring structures in building block <BB_1509>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1509>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1509>. | **Token:** <BB_1509>
**SMILES:** Nc1c(Cl)cc(Cl)cc1C(=O)O
**Molecular Formula:** C7H5Cl2NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1510>. | OB(O)c1c(Cl)ccc(F)c1F | |
What is the building block token for the following molecule? | OB(O)c1c(Cl)ccc(F)c1F | <BB_1510> |
What is the molecular formula for <BB_1510>? | The molecular formula for <BB_1510> (OB(O)c1c(Cl)ccc(F)c1F) is C6H4BClF2O2. | |
Describe the ring structures in building block <BB_1510>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1510>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1510>. | **Token:** <BB_1510>
**SMILES:** OB(O)c1c(Cl)ccc(F)c1F
**Molecular Formula:** C6H4BClF2O2
**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_1511>. | CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 | |
What is the building block token for the following molecule? | CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 | <BB_1511> |
What is the molecular formula for <BB_1511>? | The molecular formula for <BB_1511> (CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1) is C11H16N4O2. | |
Describe the ring structures in building block <BB_1511>. | 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_1511>. | The molecule contains the following groups: Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1511>. | **Token:** <BB_1511>
**SMILES:** CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1
**Molecular Formula:** C11H16N4O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Nitro | |
Provide the SMILES representation for the building block token <BB_1512>. | [N-]=[N+]=Nc1cc(Br)ccn1 | |
What is the building block token for the following molecule? | [N-]=[N+]=Nc1cc(Br)ccn1 | <BB_1512> |
What is the molecular formula for <BB_1512>? | The molecular formula for <BB_1512> ([N-]=[N+]=Nc1cc(Br)ccn1) is C5H3BrN4. | |
Describe the ring structures in building block <BB_1512>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1512>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1512>. | **Token:** <BB_1512>
**SMILES:** [N-]=[N+]=Nc1cc(Br)ccn1
**Molecular Formula:** C5H3BrN4
**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_1513>. | O=S1(=O)OCC2(CCC2)CO1 | |
What is the building block token for the following molecule? | O=S1(=O)OCC2(CCC2)CO1 | <BB_1513> |
What is the molecular formula for <BB_1513>? | The molecular formula for <BB_1513> (O=S1(=O)OCC2(CCC2)CO1) is C6H10O4S. | |
Describe the ring structures in building block <BB_1513>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1513>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1513>. | **Token:** <BB_1513>
**SMILES:** O=S1(=O)OCC2(CCC2)CO1
**Molecular Formula:** C6H10O4S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1514>. | COc1cc(CCl)cnc1Cl | |
What is the building block token for the following molecule? | COc1cc(CCl)cnc1Cl | <BB_1514> |
What is the molecular formula for <BB_1514>? | The molecular formula for <BB_1514> (COc1cc(CCl)cnc1Cl) is C7H7Cl2NO. | |
Describe the ring structures in building block <BB_1514>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1514>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1514>. | **Token:** <BB_1514>
**SMILES:** COc1cc(CCl)cnc1Cl
**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_1515>. | CO[C@@H](C)CC(=O)O | |
What is the building block token for the following molecule? | CO[C@@H](C)CC(=O)O | <BB_1515> |
What is the molecular formula for <BB_1515>? | The molecular formula for <BB_1515> (CO[C@@H](C)CC(=O)O) is C5H10O3. | |
Describe the ring structures in building block <BB_1515>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1515>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1515>. | **Token:** <BB_1515>
**SMILES:** CO[C@@H](C)CC(=O)O
**Molecular Formula:** C5H10O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1516>. | CC(C)c1ccccc1B(O)O | |
What is the building block token for the following molecule? | CC(C)c1ccccc1B(O)O | <BB_1516> |
What is the molecular formula for <BB_1516>? | The molecular formula for <BB_1516> (CC(C)c1ccccc1B(O)O) is C9H13BO2. | |
Describe the ring structures in building block <BB_1516>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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