instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9850>. | COC12CC3CC(C1)C(N)C(C3)C2.Cl | |
What is the building block token for the following molecule? | COC12CC3CC(C1)C(N)C(C3)C2.Cl | <BB_9850> |
What is the molecular formula for <BB_9850>? | The molecular formula for <BB_9850> (COC12CC3CC(C1)C(N)C(C3)C2.Cl) is C11H20ClNO. | |
Describe the ring structures in building block <BB_9850>. | 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_9850>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9850>. | **Token:** <BB_9850>
**SMILES:** COC12CC3CC(C1)C(N)C(C3)C2.Cl
**Molecular Formula:** C11H20ClNO
**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:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9851>. | Clc1ccc2cc(Cl)nc(Cl)c2c1 | |
What is the building block token for the following molecule? | Clc1ccc2cc(Cl)nc(Cl)c2c1 | <BB_9851> |
What is the molecular formula for <BB_9851>? | The molecular formula for <BB_9851> (Clc1ccc2cc(Cl)nc(Cl)c2c1) is C9H4Cl3N. | |
Describe the ring structures in building block <BB_9851>. | 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_9851>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9851>. | **Token:** <BB_9851>
**SMILES:** Clc1ccc2cc(Cl)nc(Cl)c2c1
**Molecular Formula:** C9H4Cl3N
**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_9852>. | CNc1cc(C(F)(F)F)ccc1N | |
What is the building block token for the following molecule? | CNc1cc(C(F)(F)F)ccc1N | <BB_9852> |
What is the molecular formula for <BB_9852>? | The molecular formula for <BB_9852> (CNc1cc(C(F)(F)F)ccc1N) is C8H9F3N2. | |
Describe the ring structures in building block <BB_9852>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9852>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9852>. | **Token:** <BB_9852>
**SMILES:** CNc1cc(C(F)(F)F)ccc1N
**Molecular Formula:** C8H9F3N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9853>. | C=CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1 | |
What is the building block token for the following molecule? | C=CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1 | <BB_9853> |
What is the molecular formula for <BB_9853>? | The molecular formula for <BB_9853> (C=CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1) is C14H17NO3. | |
Describe the ring structures in building block <BB_9853>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9853>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9853>. | **Token:** <BB_9853>
**SMILES:** C=CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1
**Molecular Formula:** C14H17NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9854>. | Br.Cc1nc(CBr)cs1 | |
What is the building block token for the following molecule? | Br.Cc1nc(CBr)cs1 | <BB_9854> |
What is the molecular formula for <BB_9854>? | The molecular formula for <BB_9854> (Br.Cc1nc(CBr)cs1) is C5H7Br2NS. | |
Describe the ring structures in building block <BB_9854>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9854>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9854>. | **Token:** <BB_9854>
**SMILES:** Br.Cc1nc(CBr)cs1
**Molecular Formula:** C5H7Br2NS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9855>. | O=C(O)c1cccc2nc(N3CCNCC3)oc12 | |
What is the building block token for the following molecule? | O=C(O)c1cccc2nc(N3CCNCC3)oc12 | <BB_9855> |
What is the molecular formula for <BB_9855>? | The molecular formula for <BB_9855> (O=C(O)c1cccc2nc(N3CCNCC3)oc12) is C12H13N3O3. | |
Describe the ring structures in building block <BB_9855>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9855>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9855>. | **Token:** <BB_9855>
**SMILES:** O=C(O)c1cccc2nc(N3CCNCC3)oc12
**Molecular Formula:** C12H13N3O3
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9856>. | Nc1cc(I)cc(Br)n1 | |
What is the building block token for the following molecule? | Nc1cc(I)cc(Br)n1 | <BB_9856> |
What is the molecular formula for <BB_9856>? | The molecular formula for <BB_9856> (Nc1cc(I)cc(Br)n1) is C5H4BrIN2. | |
Describe the ring structures in building block <BB_9856>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9856>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9856>. | **Token:** <BB_9856>
**SMILES:** Nc1cc(I)cc(Br)n1
**Molecular Formula:** C5H4BrIN2
**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_9857>. | Nc1cccc(S(=O)(=O)C2CCCC2)c1 | |
What is the building block token for the following molecule? | Nc1cccc(S(=O)(=O)C2CCCC2)c1 | <BB_9857> |
What is the molecular formula for <BB_9857>? | The molecular formula for <BB_9857> (Nc1cccc(S(=O)(=O)C2CCCC2)c1) is C11H15NO2S. | |
Describe the ring structures in building block <BB_9857>. | 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_9857>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9857>. | **Token:** <BB_9857>
**SMILES:** Nc1cccc(S(=O)(=O)C2CCCC2)c1
**Molecular Formula:** C11H15NO2S
**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_9858>. | CCn1ncc(C)c1S(=O)(=O)Cl | |
What is the building block token for the following molecule? | CCn1ncc(C)c1S(=O)(=O)Cl | <BB_9858> |
What is the molecular formula for <BB_9858>? | The molecular formula for <BB_9858> (CCn1ncc(C)c1S(=O)(=O)Cl) is C6H9ClN2O2S. | |
Describe the ring structures in building block <BB_9858>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9858>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9858>. | **Token:** <BB_9858>
**SMILES:** CCn1ncc(C)c1S(=O)(=O)Cl
**Molecular Formula:** C6H9ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9859>. | O=C(O)[C@@H](O)C1CCC1 | |
What is the building block token for the following molecule? | O=C(O)[C@@H](O)C1CCC1 | <BB_9859> |
What is the molecular formula for <BB_9859>? | The molecular formula for <BB_9859> (O=C(O)[C@@H](O)C1CCC1) is C6H10O3. | |
Describe the ring structures in building block <BB_9859>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9859>. | The molecule contains the following groups: Carboxylic Acid, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9859>. | **Token:** <BB_9859>
**SMILES:** O=C(O)[C@@H](O)C1CCC1
**Molecular Formula:** C6H10O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Alcohol | |
Provide the SMILES representation for the building block token <BB_9860>. | C[C@H]1CC[C@H]1CN.Cl | |
What is the building block token for the following molecule? | C[C@H]1CC[C@H]1CN.Cl | <BB_9860> |
What is the molecular formula for <BB_9860>? | The molecular formula for <BB_9860> (C[C@H]1CC[C@H]1CN.Cl) is C6H14ClN. | |
Describe the ring structures in building block <BB_9860>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9860>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9860>. | **Token:** <BB_9860>
**SMILES:** C[C@H]1CC[C@H]1CN.Cl
**Molecular Formula:** C6H14ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9861>. | C1CC2(C1)CNCCOC2 | |
What is the building block token for the following molecule? | C1CC2(C1)CNCCOC2 | <BB_9861> |
What is the molecular formula for <BB_9861>? | The molecular formula for <BB_9861> (C1CC2(C1)CNCCOC2) is C8H15NO. | |
Describe the ring structures in building block <BB_9861>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_9861>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9861>. | **Token:** <BB_9861>
**SMILES:** C1CC2(C1)CNCCOC2
**Molecular Formula:** C8H15NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9862>. | C[C@H]1CN(Cc2ccc(F)cc2)CCN1.Cl.Cl | |
What is the building block token for the following molecule? | C[C@H]1CN(Cc2ccc(F)cc2)CCN1.Cl.Cl | <BB_9862> |
What is the molecular formula for <BB_9862>? | The molecular formula for <BB_9862> (C[C@H]1CN(Cc2ccc(F)cc2)CCN1.Cl.Cl) is C12H19Cl2FN2. | |
Describe the ring structures in building block <BB_9862>. | 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_9862>. | 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_9862>. | **Token:** <BB_9862>
**SMILES:** C[C@H]1CN(Cc2ccc(F)cc2)CCN1.Cl.Cl
**Molecular Formula:** C12H19Cl2FN2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic 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_9863>. | O=C(O)c1cc(C(F)(F)F)ccn1 | |
What is the building block token for the following molecule? | O=C(O)c1cc(C(F)(F)F)ccn1 | <BB_9863> |
What is the molecular formula for <BB_9863>? | The molecular formula for <BB_9863> (O=C(O)c1cc(C(F)(F)F)ccn1) is C7H4F3NO2. | |
Describe the ring structures in building block <BB_9863>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9863>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9863>. | **Token:** <BB_9863>
**SMILES:** O=C(O)c1cc(C(F)(F)F)ccn1
**Molecular Formula:** C7H4F3NO2
**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_9864>. | Cc1ccc(N)cc1NC(=O)CCN(C)C | |
What is the building block token for the following molecule? | Cc1ccc(N)cc1NC(=O)CCN(C)C | <BB_9864> |
What is the molecular formula for <BB_9864>? | The molecular formula for <BB_9864> (Cc1ccc(N)cc1NC(=O)CCN(C)C) is C12H19N3O. | |
Describe the ring structures in building block <BB_9864>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9864>. | The molecule contains the following groups: Amine, Tertiary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9864>. | **Token:** <BB_9864>
**SMILES:** Cc1ccc(N)cc1NC(=O)CCN(C)C
**Molecular Formula:** C12H19N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9865>. | Cl.O=C(O)CC1COc2ccccc2N1 | |
What is the building block token for the following molecule? | Cl.O=C(O)CC1COc2ccccc2N1 | <BB_9865> |
What is the molecular formula for <BB_9865>? | The molecular formula for <BB_9865> (Cl.O=C(O)CC1COc2ccccc2N1) is C10H12ClNO3. | |
Describe the ring structures in building block <BB_9865>. | 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_9865>. | 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_9865>. | **Token:** <BB_9865>
**SMILES:** Cl.O=C(O)CC1COc2ccccc2N1
**Molecular Formula:** C10H12ClNO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9866>. | CCCC(CCC)c1ccc(O)cc1 | |
What is the building block token for the following molecule? | CCCC(CCC)c1ccc(O)cc1 | <BB_9866> |
What is the molecular formula for <BB_9866>? | The molecular formula for <BB_9866> (CCCC(CCC)c1ccc(O)cc1) is C13H20O. | |
Describe the ring structures in building block <BB_9866>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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