instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9050>. | N#CCCn1ncc2c(Cl)ncnc21 | |
What is the building block token for the following molecule? | N#CCCn1ncc2c(Cl)ncnc21 | <BB_9050> |
What is the molecular formula for <BB_9050>? | The molecular formula for <BB_9050> (N#CCCn1ncc2c(Cl)ncnc21) is C8H6ClN5. | |
Describe the ring structures in building block <BB_9050>. | 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_9050>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9050>. | **Token:** <BB_9050>
**SMILES:** N#CCCn1ncc2c(Cl)ncnc21
**Molecular Formula:** C8H6ClN5
**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), Nitrile | |
Provide the SMILES representation for the building block token <BB_9051>. | CS(=O)(=O)c1cccnc1C(=O)O | |
What is the building block token for the following molecule? | CS(=O)(=O)c1cccnc1C(=O)O | <BB_9051> |
What is the molecular formula for <BB_9051>? | The molecular formula for <BB_9051> (CS(=O)(=O)c1cccnc1C(=O)O) is C7H7NO4S. | |
Describe the ring structures in building block <BB_9051>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9051>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9051>. | **Token:** <BB_9051>
**SMILES:** CS(=O)(=O)c1cccnc1C(=O)O
**Molecular Formula:** C7H7NO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_9052>. | Oc1ncc(Br)c2ccccc12 | |
What is the building block token for the following molecule? | Oc1ncc(Br)c2ccccc12 | <BB_9052> |
What is the molecular formula for <BB_9052>? | The molecular formula for <BB_9052> (Oc1ncc(Br)c2ccccc12) is C9H6BrNO. | |
Describe the ring structures in building block <BB_9052>. | 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_9052>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9052>. | **Token:** <BB_9052>
**SMILES:** Oc1ncc(Br)c2ccccc12
**Molecular Formula:** C9H6BrNO
**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_9053>. | O=C(OCc1ccccc1)c1cc(C(F)(F)F)c[nH]1 | |
What is the building block token for the following molecule? | O=C(OCc1ccccc1)c1cc(C(F)(F)F)c[nH]1 | <BB_9053> |
What is the molecular formula for <BB_9053>? | The molecular formula for <BB_9053> (O=C(OCc1ccccc1)c1cc(C(F)(F)F)c[nH]1) is C13H10F3NO2. | |
Describe the ring structures in building block <BB_9053>. | 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_9053>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9053>. | **Token:** <BB_9053>
**SMILES:** O=C(OCc1ccccc1)c1cc(C(F)(F)F)c[nH]1
**Molecular Formula:** C13H10F3NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9054>. | CCC(N)C(C)(F)F.Cl | |
What is the building block token for the following molecule? | CCC(N)C(C)(F)F.Cl | <BB_9054> |
What is the molecular formula for <BB_9054>? | The molecular formula for <BB_9054> (CCC(N)C(C)(F)F.Cl) is C5H12ClF2N. | |
Describe the ring structures in building block <BB_9054>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9054>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9054>. | **Token:** <BB_9054>
**SMILES:** CCC(N)C(C)(F)F.Cl
**Molecular Formula:** C5H12ClF2N
**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_9055>. | CC(C)c1c(C(=O)O)cnn1Cc1ccccc1 | |
What is the building block token for the following molecule? | CC(C)c1c(C(=O)O)cnn1Cc1ccccc1 | <BB_9055> |
What is the molecular formula for <BB_9055>? | The molecular formula for <BB_9055> (CC(C)c1c(C(=O)O)cnn1Cc1ccccc1) is C14H16N2O2. | |
Describe the ring structures in building block <BB_9055>. | 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_9055>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9055>. | **Token:** <BB_9055>
**SMILES:** CC(C)c1c(C(=O)O)cnn1Cc1ccccc1
**Molecular Formula:** C14H16N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_9056>. | CCC1(C(=O)O)CCN(C(=O)c2ccccc2)CC1 | |
What is the building block token for the following molecule? | CCC1(C(=O)O)CCN(C(=O)c2ccccc2)CC1 | <BB_9056> |
What is the molecular formula for <BB_9056>? | The molecular formula for <BB_9056> (CCC1(C(=O)O)CCN(C(=O)c2ccccc2)CC1) is C15H19NO3. | |
Describe the ring structures in building block <BB_9056>. | 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_9056>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9056>. | **Token:** <BB_9056>
**SMILES:** CCC1(C(=O)O)CCN(C(=O)c2ccccc2)CC1
**Molecular Formula:** C15H19NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_9057>. | N#Cc1cccnc1NCc1ccc(F)cc1F | |
What is the building block token for the following molecule? | N#Cc1cccnc1NCc1ccc(F)cc1F | <BB_9057> |
What is the molecular formula for <BB_9057>? | The molecular formula for <BB_9057> (N#Cc1cccnc1NCc1ccc(F)cc1F) is C13H9F2N3. | |
Describe the ring structures in building block <BB_9057>. | 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_9057>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9057>. | **Token:** <BB_9057>
**SMILES:** N#Cc1cccnc1NCc1ccc(F)cc1F
**Molecular Formula:** C13H9F2N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9058>. | Cn1c(=O)c2c(ncn2C)n(C)c1=O | |
What is the building block token for the following molecule? | Cn1c(=O)c2c(ncn2C)n(C)c1=O | <BB_9058> |
What is the molecular formula for <BB_9058>? | The molecular formula for <BB_9058> (Cn1c(=O)c2c(ncn2C)n(C)c1=O) is C8H10N4O2. | |
Describe the ring structures in building block <BB_9058>. | 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_9058>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9058>. | **Token:** <BB_9058>
**SMILES:** Cn1c(=O)c2c(ncn2C)n(C)c1=O
**Molecular Formula:** C8H10N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9059>. | Cl.NCC1(C2CCC2)CCC1 | |
What is the building block token for the following molecule? | Cl.NCC1(C2CCC2)CCC1 | <BB_9059> |
What is the molecular formula for <BB_9059>? | The molecular formula for <BB_9059> (Cl.NCC1(C2CCC2)CCC1) is C9H18ClN. | |
Describe the ring structures in building block <BB_9059>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9059>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9059>. | **Token:** <BB_9059>
**SMILES:** Cl.NCC1(C2CCC2)CCC1
**Molecular Formula:** C9H18ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9060>. | ClCc1nnc(C2CCC2)s1 | |
What is the building block token for the following molecule? | ClCc1nnc(C2CCC2)s1 | <BB_9060> |
What is the molecular formula for <BB_9060>? | The molecular formula for <BB_9060> (ClCc1nnc(C2CCC2)s1) is C7H9ClN2S. | |
Describe the ring structures in building block <BB_9060>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9060>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9060>. | **Token:** <BB_9060>
**SMILES:** ClCc1nnc(C2CCC2)s1
**Molecular Formula:** C7H9ClN2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9061>. | c1cn(CCCNCc2ccc3c(c2)OCO3)cn1 | |
What is the building block token for the following molecule? | c1cn(CCCNCc2ccc3c(c2)OCO3)cn1 | <BB_9061> |
What is the molecular formula for <BB_9061>? | The molecular formula for <BB_9061> (c1cn(CCCNCc2ccc3c(c2)OCO3)cn1) is C14H17N3O2. | |
Describe the ring structures in building block <BB_9061>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9061>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9061>. | **Token:** <BB_9061>
**SMILES:** c1cn(CCCNCc2ccc3c(c2)OCO3)cn1
**Molecular Formula:** C14H17N3O2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9062>. | O=Cc1c(Br)ccc(C(F)(F)F)c1F | |
What is the building block token for the following molecule? | O=Cc1c(Br)ccc(C(F)(F)F)c1F | <BB_9062> |
What is the molecular formula for <BB_9062>? | The molecular formula for <BB_9062> (O=Cc1c(Br)ccc(C(F)(F)F)c1F) is C8H3BrF4O. | |
Describe the ring structures in building block <BB_9062>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9062>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9062>. | **Token:** <BB_9062>
**SMILES:** O=Cc1c(Br)ccc(C(F)(F)F)c1F
**Molecular Formula:** C8H3BrF4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9063>. | O=Cc1cnn(C2CCCC2)c1-c1ccccc1 | |
What is the building block token for the following molecule? | O=Cc1cnn(C2CCCC2)c1-c1ccccc1 | <BB_9063> |
What is the molecular formula for <BB_9063>? | The molecular formula for <BB_9063> (O=Cc1cnn(C2CCCC2)c1-c1ccccc1) is C15H16N2O. | |
Describe the ring structures in building block <BB_9063>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9063>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_9063>. | **Token:** <BB_9063>
**SMILES:** O=Cc1cnn(C2CCCC2)c1-c1ccccc1
**Molecular Formula:** C15H16N2O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_9064>. | NC1=NC(=O)C2CCCN12 | |
What is the building block token for the following molecule? | NC1=NC(=O)C2CCCN12 | <BB_9064> |
What is the molecular formula for <BB_9064>? | The molecular formula for <BB_9064> (NC1=NC(=O)C2CCCN12) is C6H9N3O. | |
Describe the ring structures in building block <BB_9064>. | 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_9064>. | The molecule contains the following groups: Amine, Tertiary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9064>. | **Token:** <BB_9064>
**SMILES:** NC1=NC(=O)C2CCCN12
**Molecular Formula:** C6H9N3O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9065>. | CC(C)[C@H](Nc1ccc(F)cc1)C(=O)O | |
What is the building block token for the following molecule? | CC(C)[C@H](Nc1ccc(F)cc1)C(=O)O | <BB_9065> |
What is the molecular formula for <BB_9065>? | The molecular formula for <BB_9065> (CC(C)[C@H](Nc1ccc(F)cc1)C(=O)O) is C11H14FNO2. | |
Describe the ring structures in building block <BB_9065>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9065>. | 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_9065>. | **Token:** <BB_9065>
**SMILES:** CC(C)[C@H](Nc1ccc(F)cc1)C(=O)O
**Molecular Formula:** C11H14FNO2
**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_9066>. | CC1(CN)CN(Cc2ccccc2)C1.Cl.Cl | |
What is the building block token for the following molecule? | CC1(CN)CN(Cc2ccccc2)C1.Cl.Cl | <BB_9066> |
What is the molecular formula for <BB_9066>? | The molecular formula for <BB_9066> (CC1(CN)CN(Cc2ccccc2)C1.Cl.Cl) is C12H20Cl2N2. | |
Describe the ring structures in building block <BB_9066>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6. |
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