instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9700>. | N#Cc1cc(C#N)c(Cl)nc1N | |
What is the building block token for the following molecule? | N#Cc1cc(C#N)c(Cl)nc1N | <BB_9700> |
What is the molecular formula for <BB_9700>? | The molecular formula for <BB_9700> (N#Cc1cc(C#N)c(Cl)nc1N) is C7H3ClN4. | |
Describe the ring structures in building block <BB_9700>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9700>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9700>. | **Token:** <BB_9700>
**SMILES:** N#Cc1cc(C#N)c(Cl)nc1N
**Molecular Formula:** C7H3ClN4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9701>. | CC(C)(C)c1cc(I)cc(C=O)c1O | |
What is the building block token for the following molecule? | CC(C)(C)c1cc(I)cc(C=O)c1O | <BB_9701> |
What is the molecular formula for <BB_9701>? | The molecular formula for <BB_9701> (CC(C)(C)c1cc(I)cc(C=O)c1O) is C11H13IO2. | |
Describe the ring structures in building block <BB_9701>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9701>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9701>. | **Token:** <BB_9701>
**SMILES:** CC(C)(C)c1cc(I)cc(C=O)c1O
**Molecular Formula:** C11H13IO2
**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_9702>. | FC(F)(F)c1cc(Cl)nc2[nH]nc(Br)c12 | |
What is the building block token for the following molecule? | FC(F)(F)c1cc(Cl)nc2[nH]nc(Br)c12 | <BB_9702> |
What is the molecular formula for <BB_9702>? | The molecular formula for <BB_9702> (FC(F)(F)c1cc(Cl)nc2[nH]nc(Br)c12) is C7H2BrClF3N3. | |
Describe the ring structures in building block <BB_9702>. | 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_9702>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9702>. | **Token:** <BB_9702>
**SMILES:** FC(F)(F)c1cc(Cl)nc2[nH]nc(Br)c12
**Molecular Formula:** C7H2BrClF3N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9703>. | Nc1cc2c(cc1S(=O)(=O)[O-])CCC2.[Na+] | |
What is the building block token for the following molecule? | Nc1cc2c(cc1S(=O)(=O)[O-])CCC2.[Na+] | <BB_9703> |
What is the molecular formula for <BB_9703>? | The molecular formula for <BB_9703> (Nc1cc2c(cc1S(=O)(=O)[O-])CCC2.[Na+]) is C9H10NNaO3S. | |
Describe the ring structures in building block <BB_9703>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9703>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9703>. | **Token:** <BB_9703>
**SMILES:** Nc1cc2c(cc1S(=O)(=O)[O-])CCC2.[Na+]
**Molecular Formula:** C9H10NNaO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9704>. | O=C(CCl)Nc1cc(Br)ccc1O | |
What is the building block token for the following molecule? | O=C(CCl)Nc1cc(Br)ccc1O | <BB_9704> |
What is the molecular formula for <BB_9704>? | The molecular formula for <BB_9704> (O=C(CCl)Nc1cc(Br)ccc1O) is C8H7BrClNO2. | |
Describe the ring structures in building block <BB_9704>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9704>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9704>. | **Token:** <BB_9704>
**SMILES:** O=C(CCl)Nc1cc(Br)ccc1O
**Molecular Formula:** C8H7BrClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9705>. | Br.CNCc1ccccc1O | |
What is the building block token for the following molecule? | Br.CNCc1ccccc1O | <BB_9705> |
What is the molecular formula for <BB_9705>? | The molecular formula for <BB_9705> (Br.CNCc1ccccc1O) is C8H12BrNO. | |
Describe the ring structures in building block <BB_9705>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9705>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9705>. | **Token:** <BB_9705>
**SMILES:** Br.CNCc1ccccc1O
**Molecular Formula:** C8H12BrNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9706>. | CC(=O)N1CCC(N)C1 | |
What is the building block token for the following molecule? | CC(=O)N1CCC(N)C1 | <BB_9706> |
What is the molecular formula for <BB_9706>? | The molecular formula for <BB_9706> (CC(=O)N1CCC(N)C1) is C6H12N2O. | |
Describe the ring structures in building block <BB_9706>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9706>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9706>. | **Token:** <BB_9706>
**SMILES:** CC(=O)N1CCC(N)C1
**Molecular Formula:** C6H12N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9707>. | CC12CC1(CO)C2 | |
What is the building block token for the following molecule? | CC12CC1(CO)C2 | <BB_9707> |
What is the molecular formula for <BB_9707>? | The molecular formula for <BB_9707> (CC12CC1(CO)C2) is C6H10O. | |
Describe the ring structures in building block <BB_9707>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9707>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9707>. | **Token:** <BB_9707>
**SMILES:** CC12CC1(CO)C2
**Molecular Formula:** C6H10O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 3.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_9708>. | Cc1ccc(C)c(C=O)c1O | |
What is the building block token for the following molecule? | Cc1ccc(C)c(C=O)c1O | <BB_9708> |
What is the molecular formula for <BB_9708>? | The molecular formula for <BB_9708> (Cc1ccc(C)c(C=O)c1O) is C9H10O2. | |
Describe the ring structures in building block <BB_9708>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9708>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_9708>. | **Token:** <BB_9708>
**SMILES:** Cc1ccc(C)c(C=O)c1O
**Molecular Formula:** C9H10O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_9709>. | O=Cc1cc2ccc(Br)cc2s1 | |
What is the building block token for the following molecule? | O=Cc1cc2ccc(Br)cc2s1 | <BB_9709> |
What is the molecular formula for <BB_9709>? | The molecular formula for <BB_9709> (O=Cc1cc2ccc(Br)cc2s1) is C9H5BrOS. | |
Describe the ring structures in building block <BB_9709>. | 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_9709>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9709>. | **Token:** <BB_9709>
**SMILES:** O=Cc1cc2ccc(Br)cc2s1
**Molecular Formula:** C9H5BrOS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9710>. | COC(=O)c1cc(Cl)c2cccc(Br)c2n1 | |
What is the building block token for the following molecule? | COC(=O)c1cc(Cl)c2cccc(Br)c2n1 | <BB_9710> |
What is the molecular formula for <BB_9710>? | The molecular formula for <BB_9710> (COC(=O)c1cc(Cl)c2cccc(Br)c2n1) is C11H7BrClNO2. | |
Describe the ring structures in building block <BB_9710>. | 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_9710>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9710>. | **Token:** <BB_9710>
**SMILES:** COC(=O)c1cc(Cl)c2cccc(Br)c2n1
**Molecular Formula:** C11H7BrClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9711>. | CC(C)C(=O)OCS(C)(=O)=O | |
What is the building block token for the following molecule? | CC(C)C(=O)OCS(C)(=O)=O | <BB_9711> |
What is the molecular formula for <BB_9711>? | The molecular formula for <BB_9711> (CC(C)C(=O)OCS(C)(=O)=O) is C6H12O4S. | |
Describe the ring structures in building block <BB_9711>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9711>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9711>. | **Token:** <BB_9711>
**SMILES:** CC(C)C(=O)OCS(C)(=O)=O
**Molecular Formula:** C6H12O4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9712>. | O=C(CN=C=S)NC1CC1 | |
What is the building block token for the following molecule? | O=C(CN=C=S)NC1CC1 | <BB_9712> |
What is the molecular formula for <BB_9712>? | The molecular formula for <BB_9712> (O=C(CN=C=S)NC1CC1) is C6H8N2OS. | |
Describe the ring structures in building block <BB_9712>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9712>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9712>. | **Token:** <BB_9712>
**SMILES:** O=C(CN=C=S)NC1CC1
**Molecular Formula:** C6H8N2OS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_9713>. | CC(=O)c1cc(F)ccc1N1CCN(C(C)=O)CC1 | |
What is the building block token for the following molecule? | CC(=O)c1cc(F)ccc1N1CCN(C(C)=O)CC1 | <BB_9713> |
What is the molecular formula for <BB_9713>? | The molecular formula for <BB_9713> (CC(=O)c1cc(F)ccc1N1CCN(C(C)=O)CC1) is C14H17FN2O2. | |
Describe the ring structures in building block <BB_9713>. | 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_9713>. | The molecule contains the following groups: Tertiary Amine, Amide, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9713>. | **Token:** <BB_9713>
**SMILES:** CC(=O)c1cc(F)ccc1N1CCN(C(C)=O)CC1
**Molecular Formula:** C14H17FN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9714>. | Cc1cc(C(=O)O)cn(C)c1=O | |
What is the building block token for the following molecule? | Cc1cc(C(=O)O)cn(C)c1=O | <BB_9714> |
What is the molecular formula for <BB_9714>? | The molecular formula for <BB_9714> (Cc1cc(C(=O)O)cn(C)c1=O) is C8H9NO3. | |
Describe the ring structures in building block <BB_9714>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9714>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9714>. | **Token:** <BB_9714>
**SMILES:** Cc1cc(C(=O)O)cn(C)c1=O
**Molecular Formula:** C8H9NO3
**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_9715>. | CC(C)(C)c1ccncc1C(=O)O.Cl | |
What is the building block token for the following molecule? | CC(C)(C)c1ccncc1C(=O)O.Cl | <BB_9715> |
What is the molecular formula for <BB_9715>? | The molecular formula for <BB_9715> (CC(C)(C)c1ccncc1C(=O)O.Cl) is C10H14ClNO2. | |
Describe the ring structures in building block <BB_9715>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9715>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9715>. | **Token:** <BB_9715>
**SMILES:** CC(C)(C)c1ccncc1C(=O)O.Cl
**Molecular Formula:** C10H14ClNO2
**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_9716>. | Fc1cc2nc(Cl)ccc2c(F)c1Br | |
What is the building block token for the following molecule? | Fc1cc2nc(Cl)ccc2c(F)c1Br | <BB_9716> |
What is the molecular formula for <BB_9716>? | The molecular formula for <BB_9716> (Fc1cc2nc(Cl)ccc2c(F)c1Br) is C9H3BrClF2N. | |
Describe the ring structures in building block <BB_9716>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. |
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