instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_1466>. | The molecule contains the following groups: Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1466>. | **Token:** <BB_1466>
**SMILES:** CC1(C)OB(C=C2CCSC2)OC1(C)C
**Molecular Formula:** C11H19BO2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Sulfide | |
Provide the SMILES representation for the building block token <BB_1467>. | CC(C)(C)OC(=O)N[C@]12CC[C@](F)(C1)NC2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N[C@]12CC[C@](F)(C1)NC2 | <BB_1467> |
What is the molecular formula for <BB_1467>? | The molecular formula for <BB_1467> (CC(C)(C)OC(=O)N[C@]12CC[C@](F)(C1)NC2) is C11H19FN2O2. | |
Describe the ring structures in building block <BB_1467>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1467>. | The molecule contains the following groups: Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1467>. | **Token:** <BB_1467>
**SMILES:** CC(C)(C)OC(=O)N[C@]12CC[C@](F)(C1)NC2
**Molecular Formula:** C11H19FN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1468>. | C=C(C)B(O)O | |
What is the building block token for the following molecule? | C=C(C)B(O)O | <BB_1468> |
What is the molecular formula for <BB_1468>? | The molecular formula for <BB_1468> (C=C(C)B(O)O) is C3H7BO2. | |
Describe the ring structures in building block <BB_1468>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1468>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1468>. | **Token:** <BB_1468>
**SMILES:** C=C(C)B(O)O
**Molecular Formula:** C3H7BO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1469>. | OCCCC(O)C(F)(F)F | |
What is the building block token for the following molecule? | OCCCC(O)C(F)(F)F | <BB_1469> |
What is the molecular formula for <BB_1469>? | The molecular formula for <BB_1469> (OCCCC(O)C(F)(F)F) is C5H9F3O2. | |
Describe the ring structures in building block <BB_1469>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1469>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1469>. | **Token:** <BB_1469>
**SMILES:** OCCCC(O)C(F)(F)F
**Molecular Formula:** C5H9F3O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1470>. | N[C@H](Cc1ccccc1Br)C(=O)O | |
What is the building block token for the following molecule? | N[C@H](Cc1ccccc1Br)C(=O)O | <BB_1470> |
What is the molecular formula for <BB_1470>? | The molecular formula for <BB_1470> (N[C@H](Cc1ccccc1Br)C(=O)O) is C9H10BrNO2. | |
Describe the ring structures in building block <BB_1470>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1470>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1470>. | **Token:** <BB_1470>
**SMILES:** N[C@H](Cc1ccccc1Br)C(=O)O
**Molecular Formula:** C9H10BrNO2
**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_1471>. | Cc1ccc(S)c(C)c1 | |
What is the building block token for the following molecule? | Cc1ccc(S)c(C)c1 | <BB_1471> |
What is the molecular formula for <BB_1471>? | The molecular formula for <BB_1471> (Cc1ccc(S)c(C)c1) is C8H10S. | |
Describe the ring structures in building block <BB_1471>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1471>. | The molecule contains the following groups: Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_1471>. | **Token:** <BB_1471>
**SMILES:** Cc1ccc(S)c(C)c1
**Molecular Formula:** C8H10S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Thiol | |
Provide the SMILES representation for the building block token <BB_1472>. | Cl.OC1COCC2(CCNCC2)OC1 | |
What is the building block token for the following molecule? | Cl.OC1COCC2(CCNCC2)OC1 | <BB_1472> |
What is the molecular formula for <BB_1472>? | The molecular formula for <BB_1472> (Cl.OC1COCC2(CCNCC2)OC1) is C9H18ClNO3. | |
Describe the ring structures in building block <BB_1472>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1472>. | The molecule contains the following groups: Secondary Amine, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1472>. | **Token:** <BB_1472>
**SMILES:** Cl.OC1COCC2(CCNCC2)OC1
**Molecular Formula:** C9H18ClNO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1473>. | Nc1cnncc1Br | |
What is the building block token for the following molecule? | Nc1cnncc1Br | <BB_1473> |
What is the molecular formula for <BB_1473>? | The molecular formula for <BB_1473> (Nc1cnncc1Br) is C4H4BrN3. | |
Describe the ring structures in building block <BB_1473>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1473>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1473>. | **Token:** <BB_1473>
**SMILES:** Nc1cnncc1Br
**Molecular Formula:** C4H4BrN3
**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_1474>. | Cc1noc2cc(N)ccc12.Cl | |
What is the building block token for the following molecule? | Cc1noc2cc(N)ccc12.Cl | <BB_1474> |
What is the molecular formula for <BB_1474>? | The molecular formula for <BB_1474> (Cc1noc2cc(N)ccc12.Cl) is C8H9ClN2O. | |
Describe the ring structures in building block <BB_1474>. | 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_1474>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1474>. | **Token:** <BB_1474>
**SMILES:** Cc1noc2cc(N)ccc12.Cl
**Molecular Formula:** C8H9ClN2O
**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_1475>. | CN(C)C1CCN(C(=O)CC#N)CC1 | |
What is the building block token for the following molecule? | CN(C)C1CCN(C(=O)CC#N)CC1 | <BB_1475> |
What is the molecular formula for <BB_1475>? | The molecular formula for <BB_1475> (CN(C)C1CCN(C(=O)CC#N)CC1) is C10H17N3O. | |
Describe the ring structures in building block <BB_1475>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1475>. | The molecule contains the following groups: Tertiary Amine, Amide, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1475>. | **Token:** <BB_1475>
**SMILES:** CN(C)C1CCN(C(=O)CC#N)CC1
**Molecular Formula:** C10H17N3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Nitrile | |
Provide the SMILES representation for the building block token <BB_1476>. | N#CCc1cccc(Cl)c1F | |
What is the building block token for the following molecule? | N#CCc1cccc(Cl)c1F | <BB_1476> |
What is the molecular formula for <BB_1476>? | The molecular formula for <BB_1476> (N#CCc1cccc(Cl)c1F) is C8H5ClFN. | |
Describe the ring structures in building block <BB_1476>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1476>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1476>. | **Token:** <BB_1476>
**SMILES:** N#CCc1cccc(Cl)c1F
**Molecular Formula:** C8H5ClFN
**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_1477>. | COC(=O)C1(C)CO1 | |
What is the building block token for the following molecule? | COC(=O)C1(C)CO1 | <BB_1477> |
What is the molecular formula for <BB_1477>? | The molecular formula for <BB_1477> (COC(=O)C1(C)CO1) is C5H8O3. | |
Describe the ring structures in building block <BB_1477>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1477>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1477>. | **Token:** <BB_1477>
**SMILES:** COC(=O)C1(C)CO1
**Molecular Formula:** C5H8O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1478>. | N=c1c2ccccc2nc2n1CCCCC2 | |
What is the building block token for the following molecule? | N=c1c2ccccc2nc2n1CCCCC2 | <BB_1478> |
What is the molecular formula for <BB_1478>? | The molecular formula for <BB_1478> (N=c1c2ccccc2nc2n1CCCCC2) is C13H15N3. | |
Describe the ring structures in building block <BB_1478>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_1478>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1478>. | **Token:** <BB_1478>
**SMILES:** N=c1c2ccccc2nc2n1CCCCC2
**Molecular Formula:** C13H15N3
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 7.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1479>. | Cc1cc(Br)nc(N)n1 | |
What is the building block token for the following molecule? | Cc1cc(Br)nc(N)n1 | <BB_1479> |
What is the molecular formula for <BB_1479>? | The molecular formula for <BB_1479> (Cc1cc(Br)nc(N)n1) is C5H6BrN3. | |
Describe the ring structures in building block <BB_1479>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1479>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1479>. | **Token:** <BB_1479>
**SMILES:** Cc1cc(Br)nc(N)n1
**Molecular Formula:** C5H6BrN3
**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_1480>. | Cc1cc(N)cc(N2CCN(C(C)C)CC2)c1 | |
What is the building block token for the following molecule? | Cc1cc(N)cc(N2CCN(C(C)C)CC2)c1 | <BB_1480> |
What is the molecular formula for <BB_1480>? | The molecular formula for <BB_1480> (Cc1cc(N)cc(N2CCN(C(C)C)CC2)c1) is C14H23N3. | |
Describe the ring structures in building block <BB_1480>. | 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_1480>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1480>. | **Token:** <BB_1480>
**SMILES:** Cc1cc(N)cc(N2CCN(C(C)C)CC2)c1
**Molecular Formula:** C14H23N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1481>. | COC(=O)c1ccc(CO)nc1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc(CO)nc1 | <BB_1481> |
What is the molecular formula for <BB_1481>? | The molecular formula for <BB_1481> (COC(=O)c1ccc(CO)nc1) is C8H9NO3. | |
Describe the ring structures in building block <BB_1481>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1481>. | The molecule contains the following groups: Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1481>. | **Token:** <BB_1481>
**SMILES:** COC(=O)c1ccc(CO)nc1
**Molecular Formula:** C8H9NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1482>. | COc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 | |
What is the building block token for the following molecule? | COc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 | <BB_1482> |
What is the molecular formula for <BB_1482>? | The molecular formula for <BB_1482> (COc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1) is C14H14O4S. | |
Describe the ring structures in building block <BB_1482>. | 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_1482>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1482>. | **Token:** <BB_1482>
**SMILES:** COc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1
**Molecular Formula:** C14H14O4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_1483>. | Cl.c1ccc2c(c1)CC(C1CC1)N2 | |
What is the building block token for the following molecule? | Cl.c1ccc2c(c1)CC(C1CC1)N2 | <BB_1483> |
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