instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1650>. | Br.Br.CC(N)c1cnccc1O | |
What is the building block token for the following molecule? | Br.Br.CC(N)c1cnccc1O | <BB_1650> |
What is the molecular formula for <BB_1650>? | The molecular formula for <BB_1650> (Br.Br.CC(N)c1cnccc1O) is C7H12Br2N2O. | |
Describe the ring structures in building block <BB_1650>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1650>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1650>. | **Token:** <BB_1650>
**SMILES:** Br.Br.CC(N)c1cnccc1O
**Molecular Formula:** C7H12Br2N2O
**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_1651>. | c1cc2c(cc1C1CO1)OCCO2 | |
What is the building block token for the following molecule? | c1cc2c(cc1C1CO1)OCCO2 | <BB_1651> |
What is the molecular formula for <BB_1651>? | The molecular formula for <BB_1651> (c1cc2c(cc1C1CO1)OCCO2) is C10H10O3. | |
Describe the ring structures in building block <BB_1651>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1651>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1651>. | **Token:** <BB_1651>
**SMILES:** c1cc2c(cc1C1CO1)OCCO2
**Molecular Formula:** C10H10O3
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3, an aliphatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_1652>. | O=C(O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 | <BB_1652> |
What is the molecular formula for <BB_1652>? | The molecular formula for <BB_1652> (O=C(O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1) is C9H6N4O4. | |
Describe the ring structures in building block <BB_1652>. | 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_1652>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1652>. | **Token:** <BB_1652>
**SMILES:** O=C(O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1
**Molecular Formula:** C9H6N4O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Nitro | |
Provide the SMILES representation for the building block token <BB_1653>. | CCCCC(NC(=O)OCc1ccccc1)C(=O)O | |
What is the building block token for the following molecule? | CCCCC(NC(=O)OCc1ccccc1)C(=O)O | <BB_1653> |
What is the molecular formula for <BB_1653>? | The molecular formula for <BB_1653> (CCCCC(NC(=O)OCc1ccccc1)C(=O)O) is C14H19NO4. | |
Describe the ring structures in building block <BB_1653>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1653>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1653>. | **Token:** <BB_1653>
**SMILES:** CCCCC(NC(=O)OCc1ccccc1)C(=O)O
**Molecular Formula:** C14H19NO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1654>. | Cc1ccn(C2(C(=O)O)CC2)n1 | |
What is the building block token for the following molecule? | Cc1ccn(C2(C(=O)O)CC2)n1 | <BB_1654> |
What is the molecular formula for <BB_1654>? | The molecular formula for <BB_1654> (Cc1ccn(C2(C(=O)O)CC2)n1) is C8H10N2O2. | |
Describe the ring structures in building block <BB_1654>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1654>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1654>. | **Token:** <BB_1654>
**SMILES:** Cc1ccn(C2(C(=O)O)CC2)n1
**Molecular Formula:** C8H10N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1655>. | Cl.NC1CCC2CC2C1 | |
What is the building block token for the following molecule? | Cl.NC1CCC2CC2C1 | <BB_1655> |
What is the molecular formula for <BB_1655>? | The molecular formula for <BB_1655> (Cl.NC1CCC2CC2C1) is C7H14ClN. | |
Describe the ring structures in building block <BB_1655>. | 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_1655>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1655>. | **Token:** <BB_1655>
**SMILES:** Cl.NC1CCC2CC2C1
**Molecular Formula:** C7H14ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1656>. | O=S(=O)(Cl)c1cccc(C(F)(F)CC(F)(F)F)c1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1cccc(C(F)(F)CC(F)(F)F)c1 | <BB_1656> |
What is the molecular formula for <BB_1656>? | The molecular formula for <BB_1656> (O=S(=O)(Cl)c1cccc(C(F)(F)CC(F)(F)F)c1) is C9H6ClF5O2S. | |
Describe the ring structures in building block <BB_1656>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1656>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1656>. | **Token:** <BB_1656>
**SMILES:** O=S(=O)(Cl)c1cccc(C(F)(F)CC(F)(F)F)c1
**Molecular Formula:** C9H6ClF5O2S
**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_1657>. | CC(C)C(NCc1ccccn1)C(=O)O.Cl.Cl | |
What is the building block token for the following molecule? | CC(C)C(NCc1ccccn1)C(=O)O.Cl.Cl | <BB_1657> |
What is the molecular formula for <BB_1657>? | The molecular formula for <BB_1657> (CC(C)C(NCc1ccccn1)C(=O)O.Cl.Cl) is C11H18Cl2N2O2. | |
Describe the ring structures in building block <BB_1657>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1657>. | 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_1657>. | **Token:** <BB_1657>
**SMILES:** CC(C)C(NCc1ccccn1)C(=O)O.Cl.Cl
**Molecular Formula:** C11H18Cl2N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1658>. | CC(C)(O)c1ncc(C(=O)[O-])cn1.[Na+] | |
What is the building block token for the following molecule? | CC(C)(O)c1ncc(C(=O)[O-])cn1.[Na+] | <BB_1658> |
What is the molecular formula for <BB_1658>? | The molecular formula for <BB_1658> (CC(C)(O)c1ncc(C(=O)[O-])cn1.[Na+]) is C8H9N2NaO3. | |
Describe the ring structures in building block <BB_1658>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1658>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1658>. | **Token:** <BB_1658>
**SMILES:** CC(C)(O)c1ncc(C(=O)[O-])cn1.[Na+]
**Molecular Formula:** C8H9N2NaO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_1659>. | CC(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O | |
What is the building block token for the following molecule? | CC(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O | <BB_1659> |
What is the molecular formula for <BB_1659>? | The molecular formula for <BB_1659> (CC(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O) is C10H9ClN2O5. | |
Describe the ring structures in building block <BB_1659>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1659>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Amide, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1659>. | **Token:** <BB_1659>
**SMILES:** CC(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O
**Molecular Formula:** C10H9ClN2O5
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Amide, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1660>. | C1CC(N2CCNCC2)CCN1 | |
What is the building block token for the following molecule? | C1CC(N2CCNCC2)CCN1 | <BB_1660> |
What is the molecular formula for <BB_1660>? | The molecular formula for <BB_1660> (C1CC(N2CCNCC2)CCN1) is C9H19N3. | |
Describe the ring structures in building block <BB_1660>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1660>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1660>. | **Token:** <BB_1660>
**SMILES:** C1CC(N2CCNCC2)CCN1
**Molecular Formula:** C9H19N3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1661>. | C[N+](C)(C)CCO.C[N+](C)(C)CCO.O=S(=O)([O-])[O-] | |
What is the building block token for the following molecule? | C[N+](C)(C)CCO.C[N+](C)(C)CCO.O=S(=O)([O-])[O-] | <BB_1661> |
What is the molecular formula for <BB_1661>? | The molecular formula for <BB_1661> (C[N+](C)(C)CCO.C[N+](C)(C)CCO.O=S(=O)([O-])[O-]) is C10H28N2O6S. | |
Describe the ring structures in building block <BB_1661>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1661>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1661>. | **Token:** <BB_1661>
**SMILES:** C[N+](C)(C)CCO.C[N+](C)(C)CCO.O=S(=O)([O-])[O-]
**Molecular Formula:** C10H28N2O6S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_1662>. | COC[B-](F)(F)F.[K+] | |
What is the building block token for the following molecule? | COC[B-](F)(F)F.[K+] | <BB_1662> |
What is the molecular formula for <BB_1662>? | The molecular formula for <BB_1662> (COC[B-](F)(F)F.[K+]) is C2H5BF3KO. | |
Describe the ring structures in building block <BB_1662>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1662>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1662>. | **Token:** <BB_1662>
**SMILES:** COC[B-](F)(F)F.[K+]
**Molecular Formula:** C2H5BF3KO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1663>. | CCC1(C)CCC(N)CC1 | |
What is the building block token for the following molecule? | CCC1(C)CCC(N)CC1 | <BB_1663> |
What is the molecular formula for <BB_1663>? | The molecular formula for <BB_1663> (CCC1(C)CCC(N)CC1) is C9H19N. | |
Describe the ring structures in building block <BB_1663>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1663>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1663>. | **Token:** <BB_1663>
**SMILES:** CCC1(C)CCC(N)CC1
**Molecular Formula:** C9H19N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1664>. | Nc1ncc(C2(O)CCNCC2)s1 | |
What is the building block token for the following molecule? | Nc1ncc(C2(O)CCNCC2)s1 | <BB_1664> |
What is the molecular formula for <BB_1664>? | The molecular formula for <BB_1664> (Nc1ncc(C2(O)CCNCC2)s1) is C8H13N3OS. | |
Describe the ring structures in building block <BB_1664>. | 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_1664>. | The molecule contains the following groups: Amine, Secondary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1664>. | **Token:** <BB_1664>
**SMILES:** Nc1ncc(C2(O)CCNCC2)s1
**Molecular Formula:** C8H13N3OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_1665>. | CC(C)(C)OC(=O)NCCc1nnc2n1CCCC2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCCc1nnc2n1CCCC2 | <BB_1665> |
What is the molecular formula for <BB_1665>? | The molecular formula for <BB_1665> (CC(C)(C)OC(=O)NCCc1nnc2n1CCCC2) is C13H22N4O2. | |
Describe the ring structures in building block <BB_1665>. | 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_1665>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1665>. | **Token:** <BB_1665>
**SMILES:** CC(C)(C)OC(=O)NCCc1nnc2n1CCCC2
**Molecular Formula:** C13H22N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1666>. | CCO/C=C/C(=O)OCC | |
What is the building block token for the following molecule? | CCO/C=C/C(=O)OCC | <BB_1666> |
What is the molecular formula for <BB_1666>? | The molecular formula for <BB_1666> (CCO/C=C/C(=O)OCC) is C7H12O3. | |
Describe the ring structures in building block <BB_1666>. | The molecule is acyclic (contains no rings). |
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