instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1050>. | Nc1ncc(-c2ccccc2)s1 | |
What is the building block token for the following molecule? | Nc1ncc(-c2ccccc2)s1 | <BB_1050> |
What is the molecular formula for <BB_1050>? | The molecular formula for <BB_1050> (Nc1ncc(-c2ccccc2)s1) is C9H8N2S. | |
Describe the ring structures in building block <BB_1050>. | 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_1050>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1050>. | **Token:** <BB_1050>
**SMILES:** Nc1ncc(-c2ccccc2)s1
**Molecular Formula:** C9H8N2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1051>. | O=C1CCCc2nn(-c3ccccc3)cc21 | |
What is the building block token for the following molecule? | O=C1CCCc2nn(-c3ccccc3)cc21 | <BB_1051> |
What is the molecular formula for <BB_1051>? | The molecular formula for <BB_1051> (O=C1CCCc2nn(-c3ccccc3)cc21) is C13H12N2O. | |
Describe the ring structures in building block <BB_1051>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1051>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1051>. | **Token:** <BB_1051>
**SMILES:** O=C1CCCc2nn(-c3ccccc3)cc21
**Molecular Formula:** C13H12N2O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_1052>. | NNC(=O)c1ccc2[nH]ccc2c1 | |
What is the building block token for the following molecule? | NNC(=O)c1ccc2[nH]ccc2c1 | <BB_1052> |
What is the molecular formula for <BB_1052>? | The molecular formula for <BB_1052> (NNC(=O)c1ccc2[nH]ccc2c1) is C9H9N3O. | |
Describe the ring structures in building block <BB_1052>. | 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_1052>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1052>. | **Token:** <BB_1052>
**SMILES:** NNC(=O)c1ccc2[nH]ccc2c1
**Molecular Formula:** C9H9N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_1053>. | O=C(O)C1=CCCC1 | |
What is the building block token for the following molecule? | O=C(O)C1=CCCC1 | <BB_1053> |
What is the molecular formula for <BB_1053>? | The molecular formula for <BB_1053> (O=C(O)C1=CCCC1) is C6H8O2. | |
Describe the ring structures in building block <BB_1053>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1053>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1053>. | **Token:** <BB_1053>
**SMILES:** O=C(O)C1=CCCC1
**Molecular Formula:** C6H8O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1054>. | Cl.Nc1ccc2cc(C(=O)O)ccc2n1 | |
What is the building block token for the following molecule? | Cl.Nc1ccc2cc(C(=O)O)ccc2n1 | <BB_1054> |
What is the molecular formula for <BB_1054>? | The molecular formula for <BB_1054> (Cl.Nc1ccc2cc(C(=O)O)ccc2n1) is C10H9ClN2O2. | |
Describe the ring structures in building block <BB_1054>. | 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_1054>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1054>. | **Token:** <BB_1054>
**SMILES:** Cl.Nc1ccc2cc(C(=O)O)ccc2n1
**Molecular Formula:** C10H9ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1055>. | CC(C)(C)S(=O)[O-].[Na+] | |
What is the building block token for the following molecule? | CC(C)(C)S(=O)[O-].[Na+] | <BB_1055> |
What is the molecular formula for <BB_1055>? | The molecular formula for <BB_1055> (CC(C)(C)S(=O)[O-].[Na+]) is C4H9NaO2S. | |
Describe the ring structures in building block <BB_1055>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1055>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1055>. | **Token:** <BB_1055>
**SMILES:** CC(C)(C)S(=O)[O-].[Na+]
**Molecular Formula:** C4H9NaO2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1056>. | COC1CCCC(Oc2ccnc(N)n2)C1 | |
What is the building block token for the following molecule? | COC1CCCC(Oc2ccnc(N)n2)C1 | <BB_1056> |
What is the molecular formula for <BB_1056>? | The molecular formula for <BB_1056> (COC1CCCC(Oc2ccnc(N)n2)C1) is C11H17N3O2. | |
Describe the ring structures in building block <BB_1056>. | 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_1056>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1056>. | **Token:** <BB_1056>
**SMILES:** COC1CCCC(Oc2ccnc(N)n2)C1
**Molecular Formula:** C11H17N3O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1057>. | CCC(C)c1ccc(N)cn1.Cl.Cl | |
What is the building block token for the following molecule? | CCC(C)c1ccc(N)cn1.Cl.Cl | <BB_1057> |
What is the molecular formula for <BB_1057>? | The molecular formula for <BB_1057> (CCC(C)c1ccc(N)cn1.Cl.Cl) is C9H16Cl2N2. | |
Describe the ring structures in building block <BB_1057>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1057>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1057>. | **Token:** <BB_1057>
**SMILES:** CCC(C)c1ccc(N)cn1.Cl.Cl
**Molecular Formula:** C9H16Cl2N2
**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_1058>. | Clc1cc(Br)c2c(c1)CCC2 | |
What is the building block token for the following molecule? | Clc1cc(Br)c2c(c1)CCC2 | <BB_1058> |
What is the molecular formula for <BB_1058>? | The molecular formula for <BB_1058> (Clc1cc(Br)c2c(c1)CCC2) is C9H8BrCl. | |
Describe the ring structures in building block <BB_1058>. | 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_1058>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1058>. | **Token:** <BB_1058>
**SMILES:** Clc1cc(Br)c2c(c1)CCC2
**Molecular Formula:** C9H8BrCl
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1059>. | CN1CCNC(=O)C1=O | |
What is the building block token for the following molecule? | CN1CCNC(=O)C1=O | <BB_1059> |
What is the molecular formula for <BB_1059>? | The molecular formula for <BB_1059> (CN1CCNC(=O)C1=O) is C5H8N2O2. | |
Describe the ring structures in building block <BB_1059>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1059>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1059>. | **Token:** <BB_1059>
**SMILES:** CN1CCNC(=O)C1=O
**Molecular Formula:** C5H8N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1060>. | COc1ccc(CCC(=O)O)c(Cl)c1OC | |
What is the building block token for the following molecule? | COc1ccc(CCC(=O)O)c(Cl)c1OC | <BB_1060> |
What is the molecular formula for <BB_1060>? | The molecular formula for <BB_1060> (COc1ccc(CCC(=O)O)c(Cl)c1OC) is C11H13ClO4. | |
Describe the ring structures in building block <BB_1060>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1060>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1060>. | **Token:** <BB_1060>
**SMILES:** COc1ccc(CCC(=O)O)c(Cl)c1OC
**Molecular Formula:** C11H13ClO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1061>. | COc1ccc(-c2noc(CCl)n2)cc1F | |
What is the building block token for the following molecule? | COc1ccc(-c2noc(CCl)n2)cc1F | <BB_1061> |
What is the molecular formula for <BB_1061>? | The molecular formula for <BB_1061> (COc1ccc(-c2noc(CCl)n2)cc1F) is C10H8ClFN2O2. | |
Describe the ring structures in building block <BB_1061>. | 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_1061>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1061>. | **Token:** <BB_1061>
**SMILES:** COc1ccc(-c2noc(CCl)n2)cc1F
**Molecular Formula:** C10H8ClFN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1062>. | COC(=O)CCOc1ccc(S(=O)(=O)Cl)cc1 | |
What is the building block token for the following molecule? | COC(=O)CCOc1ccc(S(=O)(=O)Cl)cc1 | <BB_1062> |
What is the molecular formula for <BB_1062>? | The molecular formula for <BB_1062> (COC(=O)CCOc1ccc(S(=O)(=O)Cl)cc1) is C10H11ClO5S. | |
Describe the ring structures in building block <BB_1062>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1062>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1062>. | **Token:** <BB_1062>
**SMILES:** COC(=O)CCOc1ccc(S(=O)(=O)Cl)cc1
**Molecular Formula:** C10H11ClO5S
**Ring System:** The molecule contains 1 ring(s): 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_1063>. | CC12CC(O)(C1)C2 | |
What is the building block token for the following molecule? | CC12CC(O)(C1)C2 | <BB_1063> |
What is the molecular formula for <BB_1063>? | The molecular formula for <BB_1063> (CC12CC(O)(C1)C2) is C6H10O. | |
Describe the ring structures in building block <BB_1063>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1063>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1063>. | **Token:** <BB_1063>
**SMILES:** CC12CC(O)(C1)C2
**Molecular Formula:** C6H10O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, 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_1064>. | Cl.NCCNS(=O)(=O)c1cccs1 | |
What is the building block token for the following molecule? | Cl.NCCNS(=O)(=O)c1cccs1 | <BB_1064> |
What is the molecular formula for <BB_1064>? | The molecular formula for <BB_1064> (Cl.NCCNS(=O)(=O)c1cccs1) is C6H11ClN2O2S2. | |
Describe the ring structures in building block <BB_1064>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1064>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1064>. | **Token:** <BB_1064>
**SMILES:** Cl.NCCNS(=O)(=O)c1cccs1
**Molecular Formula:** C6H11ClN2O2S2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1065>. | CCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccccc1Cl | |
What is the building block token for the following molecule? | CCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccccc1Cl | <BB_1065> |
What is the molecular formula for <BB_1065>? | The molecular formula for <BB_1065> (CCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccccc1Cl) is C14H16ClNO3. | |
Describe the ring structures in building block <BB_1065>. | 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_1065>. | The molecule contains the following groups: Carboxylic Acid, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1065>. | **Token:** <BB_1065>
**SMILES:** CCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccccc1Cl
**Molecular Formula:** C14H16ClNO3
**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, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1066>. | CS(=O)(=O)N1CCC(Br)C1 | |
What is the building block token for the following molecule? | CS(=O)(=O)N1CCC(Br)C1 | <BB_1066> |
What is the molecular formula for <BB_1066>? | The molecular formula for <BB_1066> (CS(=O)(=O)N1CCC(Br)C1) is C5H10BrNO2S. | |
Describe the ring structures in building block <BB_1066>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. |
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