instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_783>? | The molecular formula for <BB_783> (CNc1ccc2cc(C(=O)OC)ccc2c1) is C13H13NO2. | |
Describe the ring structures in building block <BB_783>. | 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_783>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_783>. | **Token:** <BB_783>
**SMILES:** CNc1ccc2cc(C(=O)OC)ccc2c1
**Molecular Formula:** C13H13NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_784>. | CC(=O)c1cc(=O)[nH]cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | CC(=O)c1cc(=O)[nH]cc1[N+](=O)[O-] | <BB_784> |
What is the molecular formula for <BB_784>? | The molecular formula for <BB_784> (CC(=O)c1cc(=O)[nH]cc1[N+](=O)[O-]) is C7H6N2O4. | |
Describe the ring structures in building block <BB_784>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_784>. | The molecule contains the following groups: Tertiary Amine, Ketone, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_784>. | **Token:** <BB_784>
**SMILES:** CC(=O)c1cc(=O)[nH]cc1[N+](=O)[O-]
**Molecular Formula:** C7H6N2O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ketone, Nitro | |
Provide the SMILES representation for the building block token <BB_785>. | O=C(CCl)Cc1ccc(F)cc1 | |
What is the building block token for the following molecule? | O=C(CCl)Cc1ccc(F)cc1 | <BB_785> |
What is the molecular formula for <BB_785>? | The molecular formula for <BB_785> (O=C(CCl)Cc1ccc(F)cc1) is C9H8ClFO. | |
Describe the ring structures in building block <BB_785>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_785>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_785>. | **Token:** <BB_785>
**SMILES:** O=C(CCl)Cc1ccc(F)cc1
**Molecular Formula:** C9H8ClFO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_786>. | Cl.O=C(NC1CCOC1)OCC1CCCCN1 | |
What is the building block token for the following molecule? | Cl.O=C(NC1CCOC1)OCC1CCCCN1 | <BB_786> |
What is the molecular formula for <BB_786>? | The molecular formula for <BB_786> (Cl.O=C(NC1CCOC1)OCC1CCCCN1) is C11H21ClN2O3. | |
Describe the ring structures in building block <BB_786>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_786>. | 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_786>. | **Token:** <BB_786>
**SMILES:** Cl.O=C(NC1CCOC1)OCC1CCCCN1
**Molecular Formula:** C11H21ClN2O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_787>. | Nc1cc(Cl)ccc1S(N)(=O)=O | |
What is the building block token for the following molecule? | Nc1cc(Cl)ccc1S(N)(=O)=O | <BB_787> |
What is the molecular formula for <BB_787>? | The molecular formula for <BB_787> (Nc1cc(Cl)ccc1S(N)(=O)=O) is C6H7ClN2O2S. | |
Describe the ring structures in building block <BB_787>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_787>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_787>. | **Token:** <BB_787>
**SMILES:** Nc1cc(Cl)ccc1S(N)(=O)=O
**Molecular Formula:** C6H7ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_788>. | Cl.Cl.Clc1cccc(CN2CCNCC2)c1Cl | |
What is the building block token for the following molecule? | Cl.Cl.Clc1cccc(CN2CCNCC2)c1Cl | <BB_788> |
What is the molecular formula for <BB_788>? | The molecular formula for <BB_788> (Cl.Cl.Clc1cccc(CN2CCNCC2)c1Cl) is C11H16Cl4N2. | |
Describe the ring structures in building block <BB_788>. | 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_788>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_788>. | **Token:** <BB_788>
**SMILES:** Cl.Cl.Clc1cccc(CN2CCNCC2)c1Cl
**Molecular Formula:** C11H16Cl4N2
**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, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_789>. | [N-]=[N+]=NCc1ccco1 | |
What is the building block token for the following molecule? | [N-]=[N+]=NCc1ccco1 | <BB_789> |
What is the molecular formula for <BB_789>? | The molecular formula for <BB_789> ([N-]=[N+]=NCc1ccco1) is C5H5N3O. | |
Describe the ring structures in building block <BB_789>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_789>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_789>. | **Token:** <BB_789>
**SMILES:** [N-]=[N+]=NCc1ccco1
**Molecular Formula:** C5H5N3O
**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_790>. | O=[N+]([O-])c1cc(CBr)ccc1F | |
What is the building block token for the following molecule? | O=[N+]([O-])c1cc(CBr)ccc1F | <BB_790> |
What is the molecular formula for <BB_790>? | The molecular formula for <BB_790> (O=[N+]([O-])c1cc(CBr)ccc1F) is C7H5BrFNO2. | |
Describe the ring structures in building block <BB_790>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_790>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_790>. | **Token:** <BB_790>
**SMILES:** O=[N+]([O-])c1cc(CBr)ccc1F
**Molecular Formula:** C7H5BrFNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_791>. | CC(C)(C)OC(=O)NC1CC2(CC(N)CCO2)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC1CC2(CC(N)CCO2)C1 | <BB_791> |
What is the molecular formula for <BB_791>? | The molecular formula for <BB_791> (CC(C)(C)OC(=O)NC1CC2(CC(N)CCO2)C1) is C13H24N2O3. | |
Describe the ring structures in building block <BB_791>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_791>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_791>. | **Token:** <BB_791>
**SMILES:** CC(C)(C)OC(=O)NC1CC2(CC(N)CCO2)C1
**Molecular Formula:** C13H24N2O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_792>. | N#CC(c1ccncc1)(C1CCCC1)C1CCCC1 | |
What is the building block token for the following molecule? | N#CC(c1ccncc1)(C1CCCC1)C1CCCC1 | <BB_792> |
What is the molecular formula for <BB_792>? | The molecular formula for <BB_792> (N#CC(c1ccncc1)(C1CCCC1)C1CCCC1) is C17H22N2. | |
Describe the ring structures in building block <BB_792>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_792>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_792>. | **Token:** <BB_792>
**SMILES:** N#CC(c1ccncc1)(C1CCCC1)C1CCCC1
**Molecular Formula:** C17H22N2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_793>. | CN1CCN(C)CC(CO)C1 | |
What is the building block token for the following molecule? | CN1CCN(C)CC(CO)C1 | <BB_793> |
What is the molecular formula for <BB_793>? | The molecular formula for <BB_793> (CN1CCN(C)CC(CO)C1) is C8H18N2O. | |
Describe the ring structures in building block <BB_793>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_793>. | The molecule contains the following groups: Tertiary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_793>. | **Token:** <BB_793>
**SMILES:** CN1CCN(C)CC(CO)C1
**Molecular Formula:** C8H18N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Tertiary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_794>. | COc1cc(N)cnc1OC | |
What is the building block token for the following molecule? | COc1cc(N)cnc1OC | <BB_794> |
What is the molecular formula for <BB_794>? | The molecular formula for <BB_794> (COc1cc(N)cnc1OC) is C7H10N2O2. | |
Describe the ring structures in building block <BB_794>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_794>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_794>. | **Token:** <BB_794>
**SMILES:** COc1cc(N)cnc1OC
**Molecular Formula:** C7H10N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_795>. | Cl.Cl.NCc1ccnc(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | Cl.Cl.NCc1ccnc(C(F)(F)F)c1 | <BB_795> |
What is the molecular formula for <BB_795>? | The molecular formula for <BB_795> (Cl.Cl.NCc1ccnc(C(F)(F)F)c1) is C7H9Cl2F3N2. | |
Describe the ring structures in building block <BB_795>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_795>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_795>. | **Token:** <BB_795>
**SMILES:** Cl.Cl.NCc1ccnc(C(F)(F)F)c1
**Molecular Formula:** C7H9Cl2F3N2
**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_796>. | CC(C)(C)OC(=O)C1CCNc2ccccc21 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)C1CCNc2ccccc21 | <BB_796> |
What is the molecular formula for <BB_796>? | The molecular formula for <BB_796> (CC(C)(C)OC(=O)C1CCNc2ccccc21) is C14H19NO2. | |
Describe the ring structures in building block <BB_796>. | 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_796>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_796>. | **Token:** <BB_796>
**SMILES:** CC(C)(C)OC(=O)C1CCNc2ccccc21
**Molecular Formula:** C14H19NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_797>. | C#Cc1cn(C)nc1C=O | |
What is the building block token for the following molecule? | C#Cc1cn(C)nc1C=O | <BB_797> |
What is the molecular formula for <BB_797>? | The molecular formula for <BB_797> (C#Cc1cn(C)nc1C=O) is C7H6N2O. | |
Describe the ring structures in building block <BB_797>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_797>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_797>. | **Token:** <BB_797>
**SMILES:** C#Cc1cn(C)nc1C=O
**Molecular Formula:** C7H6N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_798>. | Br.CC1CCN(CCBr)C1 | |
What is the building block token for the following molecule? | Br.CC1CCN(CCBr)C1 | <BB_798> |
What is the molecular formula for <BB_798>? | The molecular formula for <BB_798> (Br.CC1CCN(CCBr)C1) is C7H15Br2N. | |
Describe the ring structures in building block <BB_798>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_798>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_798>. | **Token:** <BB_798>
**SMILES:** Br.CC1CCN(CCBr)C1
**Molecular Formula:** C7H15Br2N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_799>. | Nc1ccc2c(c1)C(O)CCC2 | |
What is the building block token for the following molecule? | Nc1ccc2c(c1)C(O)CCC2 | <BB_799> |
What is the molecular formula for <BB_799>? | The molecular formula for <BB_799> (Nc1ccc2c(c1)C(O)CCC2) is C10H13NO. | |
Describe the ring structures in building block <BB_799>. | 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_799>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_799>. | **Token:** <BB_799>
**SMILES:** Nc1ccc2c(c1)C(O)CCC2
**Molecular Formula:** C10H13NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Alcohol |
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