instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1633>? | The molecular formula for <BB_1633> (Cn1cccc1-c1cc(C(=O)O)[nH]n1) is C9H9N3O2. | |
Describe the ring structures in building block <BB_1633>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1633>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1633>. | **Token:** <BB_1633>
**SMILES:** Cn1cccc1-c1cc(C(=O)O)[nH]n1
**Molecular Formula:** C9H9N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1634>. | CCC(CN)CC(C)C.Cl | |
What is the building block token for the following molecule? | CCC(CN)CC(C)C.Cl | <BB_1634> |
What is the molecular formula for <BB_1634>? | The molecular formula for <BB_1634> (CCC(CN)CC(C)C.Cl) is C8H20ClN. | |
Describe the ring structures in building block <BB_1634>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1634>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1634>. | **Token:** <BB_1634>
**SMILES:** CCC(CN)CC(C)C.Cl
**Molecular Formula:** C8H20ClN
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1635>. | Nc1nc(Br)n[nH]1 | |
What is the building block token for the following molecule? | Nc1nc(Br)n[nH]1 | <BB_1635> |
What is the molecular formula for <BB_1635>? | The molecular formula for <BB_1635> (Nc1nc(Br)n[nH]1) is C2H3BrN4. | |
Describe the ring structures in building block <BB_1635>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1635>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1635>. | **Token:** <BB_1635>
**SMILES:** Nc1nc(Br)n[nH]1
**Molecular Formula:** C2H3BrN4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1636>. | FC(F)(F)COC1CNC1.O=C(O)C(F)(F)F | |
What is the building block token for the following molecule? | FC(F)(F)COC1CNC1.O=C(O)C(F)(F)F | <BB_1636> |
What is the molecular formula for <BB_1636>? | The molecular formula for <BB_1636> (FC(F)(F)COC1CNC1.O=C(O)C(F)(F)F) is C7H9F6NO3. | |
Describe the ring structures in building block <BB_1636>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1636>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1636>. | **Token:** <BB_1636>
**SMILES:** FC(F)(F)COC1CNC1.O=C(O)C(F)(F)F
**Molecular Formula:** C7H9F6NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1637>. | CCNCCN1CCCC1 | |
What is the building block token for the following molecule? | CCNCCN1CCCC1 | <BB_1637> |
What is the molecular formula for <BB_1637>? | The molecular formula for <BB_1637> (CCNCCN1CCCC1) is C8H18N2. | |
Describe the ring structures in building block <BB_1637>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1637>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1637>. | **Token:** <BB_1637>
**SMILES:** CCNCCN1CCCC1
**Molecular Formula:** C8H18N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1638>. | CC(C)(O)c1nccnc1Br | |
What is the building block token for the following molecule? | CC(C)(O)c1nccnc1Br | <BB_1638> |
What is the molecular formula for <BB_1638>? | The molecular formula for <BB_1638> (CC(C)(O)c1nccnc1Br) is C7H9BrN2O. | |
Describe the ring structures in building block <BB_1638>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1638>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1638>. | **Token:** <BB_1638>
**SMILES:** CC(C)(O)c1nccnc1Br
**Molecular Formula:** C7H9BrN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1639>. | OC(c1ccc(Br)cc1)C1(c2ccccc2)CC1 | |
What is the building block token for the following molecule? | OC(c1ccc(Br)cc1)C1(c2ccccc2)CC1 | <BB_1639> |
What is the molecular formula for <BB_1639>? | The molecular formula for <BB_1639> (OC(c1ccc(Br)cc1)C1(c2ccccc2)CC1) is C16H15BrO. | |
Describe the ring structures in building block <BB_1639>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1639>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1639>. | **Token:** <BB_1639>
**SMILES:** OC(c1ccc(Br)cc1)C1(c2ccccc2)CC1
**Molecular Formula:** C16H15BrO
**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 3.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1640>. | O=C(O)CC1(c2ccc(C(F)(F)F)cc2)CCC1 | |
What is the building block token for the following molecule? | O=C(O)CC1(c2ccc(C(F)(F)F)cc2)CCC1 | <BB_1640> |
What is the molecular formula for <BB_1640>? | The molecular formula for <BB_1640> (O=C(O)CC1(c2ccc(C(F)(F)F)cc2)CCC1) is C13H13F3O2. | |
Describe the ring structures in building block <BB_1640>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1640>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1640>. | **Token:** <BB_1640>
**SMILES:** O=C(O)CC1(c2ccc(C(F)(F)F)cc2)CCC1
**Molecular Formula:** C13H13F3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1641>. | N#Cc1sccc1CC(=O)O | |
What is the building block token for the following molecule? | N#Cc1sccc1CC(=O)O | <BB_1641> |
What is the molecular formula for <BB_1641>? | The molecular formula for <BB_1641> (N#Cc1sccc1CC(=O)O) is C7H5NO2S. | |
Describe the ring structures in building block <BB_1641>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1641>. | The molecule contains the following groups: Carboxylic Acid, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1641>. | **Token:** <BB_1641>
**SMILES:** N#Cc1sccc1CC(=O)O
**Molecular Formula:** C7H5NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Nitrile | |
Provide the SMILES representation for the building block token <BB_1642>. | CCOC(=O)C(NC(C)=O)C(C)=O | |
What is the building block token for the following molecule? | CCOC(=O)C(NC(C)=O)C(C)=O | <BB_1642> |
What is the molecular formula for <BB_1642>? | The molecular formula for <BB_1642> (CCOC(=O)C(NC(C)=O)C(C)=O) is C8H13NO4. | |
Describe the ring structures in building block <BB_1642>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1642>. | The molecule contains the following groups: Amide, Ester, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1642>. | **Token:** <BB_1642>
**SMILES:** CCOC(=O)C(NC(C)=O)C(C)=O
**Molecular Formula:** C8H13NO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ester, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_1643>. | O=C=Nc1cc(Cl)ccc1OC(F)(F)F | |
What is the building block token for the following molecule? | O=C=Nc1cc(Cl)ccc1OC(F)(F)F | <BB_1643> |
What is the molecular formula for <BB_1643>? | The molecular formula for <BB_1643> (O=C=Nc1cc(Cl)ccc1OC(F)(F)F) is C8H3ClF3NO2. | |
Describe the ring structures in building block <BB_1643>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1643>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1643>. | **Token:** <BB_1643>
**SMILES:** O=C=Nc1cc(Cl)ccc1OC(F)(F)F
**Molecular Formula:** C8H3ClF3NO2
**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_1644>. | O=C(O)Cn1nc2n(c(=O)c1=O)CCOC2 | |
What is the building block token for the following molecule? | O=C(O)Cn1nc2n(c(=O)c1=O)CCOC2 | <BB_1644> |
What is the molecular formula for <BB_1644>? | The molecular formula for <BB_1644> (O=C(O)Cn1nc2n(c(=O)c1=O)CCOC2) is C8H9N3O5. | |
Describe the ring structures in building block <BB_1644>. | 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_1644>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1644>. | **Token:** <BB_1644>
**SMILES:** O=C(O)Cn1nc2n(c(=O)c1=O)CCOC2
**Molecular Formula:** C8H9N3O5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1645>. | N[C@@H](Cc1ccncc1)C(=O)O | |
What is the building block token for the following molecule? | N[C@@H](Cc1ccncc1)C(=O)O | <BB_1645> |
What is the molecular formula for <BB_1645>? | The molecular formula for <BB_1645> (N[C@@H](Cc1ccncc1)C(=O)O) is C8H10N2O2. | |
Describe the ring structures in building block <BB_1645>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1645>. | The molecule contains the following groups: Carboxylic Acid, Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1645>. | **Token:** <BB_1645>
**SMILES:** N[C@@H](Cc1ccncc1)C(=O)O
**Molecular Formula:** C8H10N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine | |
Provide the SMILES representation for the building block token <BB_1646>. | Cc1ccc(C(F)(F)C(=O)O)cn1.Cl | |
What is the building block token for the following molecule? | Cc1ccc(C(F)(F)C(=O)O)cn1.Cl | <BB_1646> |
What is the molecular formula for <BB_1646>? | The molecular formula for <BB_1646> (Cc1ccc(C(F)(F)C(=O)O)cn1.Cl) is C8H8ClF2NO2. | |
Describe the ring structures in building block <BB_1646>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1646>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1646>. | **Token:** <BB_1646>
**SMILES:** Cc1ccc(C(F)(F)C(=O)O)cn1.Cl
**Molecular Formula:** C8H8ClF2NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1647>. | CCC(=O)Cc1cccs1 | |
What is the building block token for the following molecule? | CCC(=O)Cc1cccs1 | <BB_1647> |
What is the molecular formula for <BB_1647>? | The molecular formula for <BB_1647> (CCC(=O)Cc1cccs1) is C8H10OS. | |
Describe the ring structures in building block <BB_1647>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1647>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1647>. | **Token:** <BB_1647>
**SMILES:** CCC(=O)Cc1cccs1
**Molecular Formula:** C8H10OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_1648>. | CC12COC(CCCl)(OC1)OC2 | |
What is the building block token for the following molecule? | CC12COC(CCCl)(OC1)OC2 | <BB_1648> |
What is the molecular formula for <BB_1648>? | The molecular formula for <BB_1648> (CC12COC(CCCl)(OC1)OC2) is C8H13ClO3. | |
Describe the ring structures in building block <BB_1648>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1648>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1648>. | **Token:** <BB_1648>
**SMILES:** CC12COC(CCCl)(OC1)OC2
**Molecular Formula:** C8H13ClO3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1649>. | CON(C)C(=O)CCNC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CON(C)C(=O)CCNC(=O)OC(C)(C)C | <BB_1649> |
What is the molecular formula for <BB_1649>? | The molecular formula for <BB_1649> (CON(C)C(=O)CCNC(=O)OC(C)(C)C) is C10H20N2O4. | |
Describe the ring structures in building block <BB_1649>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1649>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1649>. | **Token:** <BB_1649>
**SMILES:** CON(C)C(=O)CCNC(=O)OC(C)(C)C
**Molecular Formula:** C10H20N2O4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ether |
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