instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_3200>. | Cl.Cl.NCCNC(=O)NN | |
What is the building block token for the following molecule? | Cl.Cl.NCCNC(=O)NN | <BB_3200> |
What is the molecular formula for <BB_3200>? | The molecular formula for <BB_3200> (Cl.Cl.NCCNC(=O)NN) is C3H12Cl2N4O. | |
Describe the ring structures in building block <BB_3200>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3200>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3200>. | **Token:** <BB_3200>
**SMILES:** Cl.Cl.NCCNC(=O)NN
**Molecular Formula:** C3H12Cl2N4O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3201>. | CC(C)(C)OC(=O)N1CCC2(CCN2)CC1.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC2(CCN2)CC1.Cl | <BB_3201> |
What is the molecular formula for <BB_3201>? | The molecular formula for <BB_3201> (CC(C)(C)OC(=O)N1CCC2(CCN2)CC1.Cl) is C12H23ClN2O2. | |
Describe the ring structures in building block <BB_3201>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_3201>. | 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_3201>. | **Token:** <BB_3201>
**SMILES:** CC(C)(C)OC(=O)N1CCC2(CCN2)CC1.Cl
**Molecular Formula:** C12H23ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3202>. | CN1C(=O)CCC(C(N)=O)C1c1cnn(C)c1 | |
What is the building block token for the following molecule? | CN1C(=O)CCC(C(N)=O)C1c1cnn(C)c1 | <BB_3202> |
What is the molecular formula for <BB_3202>? | The molecular formula for <BB_3202> (CN1C(=O)CCC(C(N)=O)C1c1cnn(C)c1) is C11H16N4O2. | |
Describe the ring structures in building block <BB_3202>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3202>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_3202>. | **Token:** <BB_3202>
**SMILES:** CN1C(=O)CCC(C(N)=O)C1c1cnn(C)c1
**Molecular Formula:** C11H16N4O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_3203>. | Cl.NC(c1ccc(Cl)cc1)[C@@H]1C[C@H]1c1ccccc1 | |
What is the building block token for the following molecule? | Cl.NC(c1ccc(Cl)cc1)[C@@H]1C[C@H]1c1ccccc1 | <BB_3203> |
What is the molecular formula for <BB_3203>? | The molecular formula for <BB_3203> (Cl.NC(c1ccc(Cl)cc1)[C@@H]1C[C@H]1c1ccccc1) is C16H17Cl2N. | |
Describe the ring structures in building block <BB_3203>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3203>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3203>. | **Token:** <BB_3203>
**SMILES:** Cl.NC(c1ccc(Cl)cc1)[C@@H]1C[C@H]1c1ccccc1
**Molecular Formula:** C16H17Cl2N
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3204>. | OC1CCC(OC(F)F)CC1 | |
What is the building block token for the following molecule? | OC1CCC(OC(F)F)CC1 | <BB_3204> |
What is the molecular formula for <BB_3204>? | The molecular formula for <BB_3204> (OC1CCC(OC(F)F)CC1) is C7H12F2O2. | |
Describe the ring structures in building block <BB_3204>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3204>. | The molecule contains the following groups: Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3204>. | **Token:** <BB_3204>
**SMILES:** OC1CCC(OC(F)F)CC1
**Molecular Formula:** C7H12F2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3205>. | CCNCc1cc(C2CC2)on1 | |
What is the building block token for the following molecule? | CCNCc1cc(C2CC2)on1 | <BB_3205> |
What is the molecular formula for <BB_3205>? | The molecular formula for <BB_3205> (CCNCc1cc(C2CC2)on1) is C9H14N2O. | |
Describe the ring structures in building block <BB_3205>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_3205>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3205>. | **Token:** <BB_3205>
**SMILES:** CCNCc1cc(C2CC2)on1
**Molecular Formula:** C9H14N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_3206>. | CN(C)CCc1ccccc1CO.Cl | |
What is the building block token for the following molecule? | CN(C)CCc1ccccc1CO.Cl | <BB_3206> |
What is the molecular formula for <BB_3206>? | The molecular formula for <BB_3206> (CN(C)CCc1ccccc1CO.Cl) is C11H18ClNO. | |
Describe the ring structures in building block <BB_3206>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3206>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3206>. | **Token:** <BB_3206>
**SMILES:** CN(C)CCc1ccccc1CO.Cl
**Molecular Formula:** C11H18ClNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3207>. | CCOC(=O)c1cnc(Nc2ccc(C)cc2)s1 | |
What is the building block token for the following molecule? | CCOC(=O)c1cnc(Nc2ccc(C)cc2)s1 | <BB_3207> |
What is the molecular formula for <BB_3207>? | The molecular formula for <BB_3207> (CCOC(=O)c1cnc(Nc2ccc(C)cc2)s1) is C13H14N2O2S. | |
Describe the ring structures in building block <BB_3207>. | 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_3207>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3207>. | **Token:** <BB_3207>
**SMILES:** CCOC(=O)c1cnc(Nc2ccc(C)cc2)s1
**Molecular Formula:** C13H14N2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_3208>. | CN1CCN(C)C(CN)C1 | |
What is the building block token for the following molecule? | CN1CCN(C)C(CN)C1 | <BB_3208> |
What is the molecular formula for <BB_3208>? | The molecular formula for <BB_3208> (CN1CCN(C)C(CN)C1) is C7H17N3. | |
Describe the ring structures in building block <BB_3208>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3208>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3208>. | **Token:** <BB_3208>
**SMILES:** CN1CCN(C)C(CN)C1
**Molecular Formula:** C7H17N3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_3209>. | CC(=O)C12CC3CC(CC(C3)C1)C2 | |
What is the building block token for the following molecule? | CC(=O)C12CC3CC(CC(C3)C1)C2 | <BB_3209> |
What is the molecular formula for <BB_3209>? | The molecular formula for <BB_3209> (CC(=O)C12CC3CC(CC(C3)C1)C2) is C12H18O. | |
Describe the ring structures in building block <BB_3209>. | The molecule contains 4 ring(s): an aliphatic ring of size 6, 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_3209>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_3209>. | **Token:** <BB_3209>
**SMILES:** CC(=O)C12CC3CC(CC(C3)C1)C2
**Molecular Formula:** C12H18O
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_3210>. | C=C1CC(C(=O)COC(C)=O)C1 | |
What is the building block token for the following molecule? | C=C1CC(C(=O)COC(C)=O)C1 | <BB_3210> |
What is the molecular formula for <BB_3210>? | The molecular formula for <BB_3210> (C=C1CC(C(=O)COC(C)=O)C1) is C9H12O3. | |
Describe the ring structures in building block <BB_3210>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_3210>. | The molecule contains the following groups: Ester, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3210>. | **Token:** <BB_3210>
**SMILES:** C=C1CC(C(=O)COC(C)=O)C1
**Molecular Formula:** C9H12O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ester, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_3211>. | CC(C)(C)OC(=O)c1cc(N)cc(I)c1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)c1cc(N)cc(I)c1 | <BB_3211> |
What is the molecular formula for <BB_3211>? | The molecular formula for <BB_3211> (CC(C)(C)OC(=O)c1cc(N)cc(I)c1) is C11H14INO2. | |
Describe the ring structures in building block <BB_3211>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3211>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3211>. | **Token:** <BB_3211>
**SMILES:** CC(C)(C)OC(=O)c1cc(N)cc(I)c1
**Molecular Formula:** C11H14INO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3212>. | O=C(O)CCCNS(=O)(=O)c1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | O=C(O)CCCNS(=O)(=O)c1ccc(Cl)cc1 | <BB_3212> |
What is the molecular formula for <BB_3212>? | The molecular formula for <BB_3212> (O=C(O)CCCNS(=O)(=O)c1ccc(Cl)cc1) is C10H12ClNO4S. | |
Describe the ring structures in building block <BB_3212>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3212>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_3212>. | **Token:** <BB_3212>
**SMILES:** O=C(O)CCCNS(=O)(=O)c1ccc(Cl)cc1
**Molecular Formula:** C10H12ClNO4S
**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), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_3213>. | CC1(C)CC2(CC(O)C2)C1 | |
What is the building block token for the following molecule? | CC1(C)CC2(CC(O)C2)C1 | <BB_3213> |
What is the molecular formula for <BB_3213>? | The molecular formula for <BB_3213> (CC1(C)CC2(CC(O)C2)C1) is C9H16O. | |
Describe the ring structures in building block <BB_3213>. | 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_3213>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_3213>. | **Token:** <BB_3213>
**SMILES:** CC1(C)CC2(CC(O)C2)C1
**Molecular Formula:** C9H16O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_3214>. | COCCNCCC(=O)OC | |
What is the building block token for the following molecule? | COCCNCCC(=O)OC | <BB_3214> |
What is the molecular formula for <BB_3214>? | The molecular formula for <BB_3214> (COCCNCCC(=O)OC) is C7H15NO3. | |
Describe the ring structures in building block <BB_3214>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3214>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3214>. | **Token:** <BB_3214>
**SMILES:** COCCNCCC(=O)OC
**Molecular Formula:** C7H15NO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_3215>. | CC(C)(C)OC(=O)N1CCC(O)C(F)(F)CC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(O)C(F)(F)CC1 | <BB_3215> |
What is the molecular formula for <BB_3215>? | The molecular formula for <BB_3215> (CC(C)(C)OC(=O)N1CCC(O)C(F)(F)CC1) is C11H19F2NO3. | |
Describe the ring structures in building block <BB_3215>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_3215>. | The molecule contains the following groups: Amide, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3215>. | **Token:** <BB_3215>
**SMILES:** CC(C)(C)OC(=O)N1CCC(O)C(F)(F)CC1
**Molecular Formula:** C11H19F2NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Amide, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3216>. | C[N+](C)(C)CC=O.O.[Cl-] | |
What is the building block token for the following molecule? | C[N+](C)(C)CC=O.O.[Cl-] | <BB_3216> |
What is the molecular formula for <BB_3216>? | The molecular formula for <BB_3216> (C[N+](C)(C)CC=O.O.[Cl-]) is C5H14ClNO2. | |
Describe the ring structures in building block <BB_3216>. | The molecule is acyclic (contains no rings). |
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