instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2600>. | C=C[C@@H]1C[C@H]1[B-](F)(F)F.[K+] | |
What is the building block token for the following molecule? | C=C[C@@H]1C[C@H]1[B-](F)(F)F.[K+] | <BB_2600> |
What is the molecular formula for <BB_2600>? | The molecular formula for <BB_2600> (C=C[C@@H]1C[C@H]1[B-](F)(F)F.[K+]) is C5H7BF3K. | |
Describe the ring structures in building block <BB_2600>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2600>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2600>. | **Token:** <BB_2600>
**SMILES:** C=C[C@@H]1C[C@H]1[B-](F)(F)F.[K+]
**Molecular Formula:** C5H7BF3K
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2601>. | CC(=O)c1cc(O)c(F)cc1F | |
What is the building block token for the following molecule? | CC(=O)c1cc(O)c(F)cc1F | <BB_2601> |
What is the molecular formula for <BB_2601>? | The molecular formula for <BB_2601> (CC(=O)c1cc(O)c(F)cc1F) is C8H6F2O2. | |
Describe the ring structures in building block <BB_2601>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2601>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2601>. | **Token:** <BB_2601>
**SMILES:** CC(=O)c1cc(O)c(F)cc1F
**Molecular Formula:** C8H6F2O2
**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_2602>. | [N-]=[N+]=Nc1cc(Cl)ccc1Cl | |
What is the building block token for the following molecule? | [N-]=[N+]=Nc1cc(Cl)ccc1Cl | <BB_2602> |
What is the molecular formula for <BB_2602>? | The molecular formula for <BB_2602> ([N-]=[N+]=Nc1cc(Cl)ccc1Cl) is C6H3Cl2N3. | |
Describe the ring structures in building block <BB_2602>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2602>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2602>. | **Token:** <BB_2602>
**SMILES:** [N-]=[N+]=Nc1cc(Cl)ccc1Cl
**Molecular Formula:** C6H3Cl2N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2603>. | CC(C)c1nnc([C@]23CC[C@H]2CCN3)o1 | |
What is the building block token for the following molecule? | CC(C)c1nnc([C@]23CC[C@H]2CCN3)o1 | <BB_2603> |
What is the molecular formula for <BB_2603>? | The molecular formula for <BB_2603> (CC(C)c1nnc([C@]23CC[C@H]2CCN3)o1) is C11H17N3O. | |
Describe the ring structures in building block <BB_2603>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2603>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2603>. | **Token:** <BB_2603>
**SMILES:** CC(C)c1nnc([C@]23CC[C@H]2CCN3)o1
**Molecular Formula:** C11H17N3O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_2604>. | CC(C)(C)OC(=O)N1CCCC2(CC1)CC(N)C2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCCC2(CC1)CC(N)C2 | <BB_2604> |
What is the molecular formula for <BB_2604>? | The molecular formula for <BB_2604> (CC(C)(C)OC(=O)N1CCCC2(CC1)CC(N)C2) is C14H26N2O2. | |
Describe the ring structures in building block <BB_2604>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2604>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2604>. | **Token:** <BB_2604>
**SMILES:** CC(C)(C)OC(=O)N1CCCC2(CC1)CC(N)C2
**Molecular Formula:** C14H26N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 4.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2605>. | CC(CO)c1cccc(Cl)c1 | |
What is the building block token for the following molecule? | CC(CO)c1cccc(Cl)c1 | <BB_2605> |
What is the molecular formula for <BB_2605>? | The molecular formula for <BB_2605> (CC(CO)c1cccc(Cl)c1) is C9H11ClO. | |
Describe the ring structures in building block <BB_2605>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2605>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2605>. | **Token:** <BB_2605>
**SMILES:** CC(CO)c1cccc(Cl)c1
**Molecular Formula:** C9H11ClO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2606>. | COC(=O)c1cccc2c1SCCC2 | |
What is the building block token for the following molecule? | COC(=O)c1cccc2c1SCCC2 | <BB_2606> |
What is the molecular formula for <BB_2606>? | The molecular formula for <BB_2606> (COC(=O)c1cccc2c1SCCC2) is C11H12O2S. | |
Describe the ring structures in building block <BB_2606>. | 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_2606>. | The molecule contains the following groups: Ester, Ether, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_2606>. | **Token:** <BB_2606>
**SMILES:** COC(=O)c1cccc2c1SCCC2
**Molecular Formula:** C11H12O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ester, Ether, Sulfide | |
Provide the SMILES representation for the building block token <BB_2607>. | COC(=O)C1CC(NC(=O)OC(C)(C)C)CN1.Cl | |
What is the building block token for the following molecule? | COC(=O)C1CC(NC(=O)OC(C)(C)C)CN1.Cl | <BB_2607> |
What is the molecular formula for <BB_2607>? | The molecular formula for <BB_2607> (COC(=O)C1CC(NC(=O)OC(C)(C)C)CN1.Cl) is C11H21ClN2O4. | |
Describe the ring structures in building block <BB_2607>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2607>. | The molecule contains the following groups: Secondary Amine, Amide, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2607>. | **Token:** <BB_2607>
**SMILES:** COC(=O)C1CC(NC(=O)OC(C)(C)C)CN1.Cl
**Molecular Formula:** C11H21ClN2O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2608>. | O=C(O)c1cc2cc(Cl)cc(Cl)c2[nH]1 | |
What is the building block token for the following molecule? | O=C(O)c1cc2cc(Cl)cc(Cl)c2[nH]1 | <BB_2608> |
What is the molecular formula for <BB_2608>? | The molecular formula for <BB_2608> (O=C(O)c1cc2cc(Cl)cc(Cl)c2[nH]1) is C9H5Cl2NO2. | |
Describe the ring structures in building block <BB_2608>. | 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_2608>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2608>. | **Token:** <BB_2608>
**SMILES:** O=C(O)c1cc2cc(Cl)cc(Cl)c2[nH]1
**Molecular Formula:** C9H5Cl2NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_2609>. | Cl.O=C(CCl)Nc1cccnn1 | |
What is the building block token for the following molecule? | Cl.O=C(CCl)Nc1cccnn1 | <BB_2609> |
What is the molecular formula for <BB_2609>? | The molecular formula for <BB_2609> (Cl.O=C(CCl)Nc1cccnn1) is C6H7Cl2N3O. | |
Describe the ring structures in building block <BB_2609>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2609>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2609>. | **Token:** <BB_2609>
**SMILES:** Cl.O=C(CCl)Nc1cccnn1
**Molecular Formula:** C6H7Cl2N3O
**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_2610>. | Cc1cc(N2CCC(N)CC2)ncn1.Cl.Cl | |
What is the building block token for the following molecule? | Cc1cc(N2CCC(N)CC2)ncn1.Cl.Cl | <BB_2610> |
What is the molecular formula for <BB_2610>? | The molecular formula for <BB_2610> (Cc1cc(N2CCC(N)CC2)ncn1.Cl.Cl) is C10H18Cl2N4. | |
Describe the ring structures in building block <BB_2610>. | 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_2610>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2610>. | **Token:** <BB_2610>
**SMILES:** Cc1cc(N2CCC(N)CC2)ncn1.Cl.Cl
**Molecular Formula:** C10H18Cl2N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2611>. | N#Cc1cccc2c1OC(F)(F)O2 | |
What is the building block token for the following molecule? | N#Cc1cccc2c1OC(F)(F)O2 | <BB_2611> |
What is the molecular formula for <BB_2611>? | The molecular formula for <BB_2611> (N#Cc1cccc2c1OC(F)(F)O2) is C8H3F2NO2. | |
Describe the ring structures in building block <BB_2611>. | 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_2611>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2611>. | **Token:** <BB_2611>
**SMILES:** N#Cc1cccc2c1OC(F)(F)O2
**Molecular Formula:** C8H3F2NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_2612>. | O=C(O)CC12COCC(c3ccccc3)(C1)C2 | |
What is the building block token for the following molecule? | O=C(O)CC12COCC(c3ccccc3)(C1)C2 | <BB_2612> |
What is the molecular formula for <BB_2612>? | The molecular formula for <BB_2612> (O=C(O)CC12COCC(c3ccccc3)(C1)C2) is C14H16O3. | |
Describe the ring structures in building block <BB_2612>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2612>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2612>. | **Token:** <BB_2612>
**SMILES:** O=C(O)CC12COCC(c3ccccc3)(C1)C2
**Molecular Formula:** C14H16O3
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_2613>. | F[B-](F)(F)C1COC1.[K+] | |
What is the building block token for the following molecule? | F[B-](F)(F)C1COC1.[K+] | <BB_2613> |
What is the molecular formula for <BB_2613>? | The molecular formula for <BB_2613> (F[B-](F)(F)C1COC1.[K+]) is C3H5BF3KO. | |
Describe the ring structures in building block <BB_2613>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2613>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2613>. | **Token:** <BB_2613>
**SMILES:** F[B-](F)(F)C1COC1.[K+]
**Molecular Formula:** C3H5BF3KO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2614>. | COCC(O)CN1CCSC(C)(C)C1 | |
What is the building block token for the following molecule? | COCC(O)CN1CCSC(C)(C)C1 | <BB_2614> |
What is the molecular formula for <BB_2614>? | The molecular formula for <BB_2614> (COCC(O)CN1CCSC(C)(C)C1) is C10H21NO2S. | |
Describe the ring structures in building block <BB_2614>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2614>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Ether, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_2614>. | **Token:** <BB_2614>
**SMILES:** COCC(O)CN1CCSC(C)(C)C1
**Molecular Formula:** C10H21NO2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Ether, Sulfide | |
Provide the SMILES representation for the building block token <BB_2615>. | Cc1cc(C(N)=O)sc1C(=O)O | |
What is the building block token for the following molecule? | Cc1cc(C(N)=O)sc1C(=O)O | <BB_2615> |
What is the molecular formula for <BB_2615>? | The molecular formula for <BB_2615> (Cc1cc(C(N)=O)sc1C(=O)O) is C7H7NO3S. | |
Describe the ring structures in building block <BB_2615>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2615>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2615>. | **Token:** <BB_2615>
**SMILES:** Cc1cc(C(N)=O)sc1C(=O)O
**Molecular Formula:** C7H7NO3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_2616>. | CN1CCC2(CCN(C(N)=O)CC2)C1=O | |
What is the building block token for the following molecule? | CN1CCC2(CCN(C(N)=O)CC2)C1=O | <BB_2616> |
What is the molecular formula for <BB_2616>? | The molecular formula for <BB_2616> (CN1CCC2(CCN(C(N)=O)CC2)C1=O) is C10H17N3O2. | |
Describe the ring structures in building block <BB_2616>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. |
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