instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9200>. | c1ccc(CC2CNCCS2)cc1 | |
What is the building block token for the following molecule? | c1ccc(CC2CNCCS2)cc1 | <BB_9200> |
What is the molecular formula for <BB_9200>? | The molecular formula for <BB_9200> (c1ccc(CC2CNCCS2)cc1) is C11H15NS. | |
Describe the ring structures in building block <BB_9200>. | 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_9200>. | The molecule contains the following groups: Secondary Amine, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9200>. | **Token:** <BB_9200>
**SMILES:** c1ccc(CC2CNCCS2)cc1
**Molecular Formula:** C11H15NS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Sulfide | |
Provide the SMILES representation for the building block token <BB_9201>. | CCOC(=O)c1cc(F)ccc1S(=O)(=O)Cl | |
What is the building block token for the following molecule? | CCOC(=O)c1cc(F)ccc1S(=O)(=O)Cl | <BB_9201> |
What is the molecular formula for <BB_9201>? | The molecular formula for <BB_9201> (CCOC(=O)c1cc(F)ccc1S(=O)(=O)Cl) is C9H8ClFO4S. | |
Describe the ring structures in building block <BB_9201>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9201>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9201>. | **Token:** <BB_9201>
**SMILES:** CCOC(=O)c1cc(F)ccc1S(=O)(=O)Cl
**Molecular Formula:** C9H8ClFO4S
**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_9202>. | Cl.c1ccc(C[C@H]2CCCN2)cc1 | |
What is the building block token for the following molecule? | Cl.c1ccc(C[C@H]2CCCN2)cc1 | <BB_9202> |
What is the molecular formula for <BB_9202>? | The molecular formula for <BB_9202> (Cl.c1ccc(C[C@H]2CCCN2)cc1) is C11H16ClN. | |
Describe the ring structures in building block <BB_9202>. | 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_9202>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9202>. | **Token:** <BB_9202>
**SMILES:** Cl.c1ccc(C[C@H]2CCCN2)cc1
**Molecular Formula:** C11H16ClN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9203>. | CC(C)C(C(C)C)C(N)C(=O)O.Cl | |
What is the building block token for the following molecule? | CC(C)C(C(C)C)C(N)C(=O)O.Cl | <BB_9203> |
What is the molecular formula for <BB_9203>? | The molecular formula for <BB_9203> (CC(C)C(C(C)C)C(N)C(=O)O.Cl) is C9H20ClNO2. | |
Describe the ring structures in building block <BB_9203>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9203>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9203>. | **Token:** <BB_9203>
**SMILES:** CC(C)C(C(C)C)C(N)C(=O)O.Cl
**Molecular Formula:** C9H20ClNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9204>. | Nc1n[nH]c2ccc(Cl)cc12 | |
What is the building block token for the following molecule? | Nc1n[nH]c2ccc(Cl)cc12 | <BB_9204> |
What is the molecular formula for <BB_9204>? | The molecular formula for <BB_9204> (Nc1n[nH]c2ccc(Cl)cc12) is C7H6ClN3. | |
Describe the ring structures in building block <BB_9204>. | 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_9204>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9204>. | **Token:** <BB_9204>
**SMILES:** Nc1n[nH]c2ccc(Cl)cc12
**Molecular Formula:** C7H6ClN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9205>. | CC(C)(C)NS(=O)(=O)c1ccccc1NN | |
What is the building block token for the following molecule? | CC(C)(C)NS(=O)(=O)c1ccccc1NN | <BB_9205> |
What is the molecular formula for <BB_9205>? | The molecular formula for <BB_9205> (CC(C)(C)NS(=O)(=O)c1ccccc1NN) is C10H17N3O2S. | |
Describe the ring structures in building block <BB_9205>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9205>. | The molecule contains the following groups: Amine, Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9205>. | **Token:** <BB_9205>
**SMILES:** CC(C)(C)NS(=O)(=O)c1ccccc1NN
**Molecular Formula:** C10H17N3O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9206>. | COc1ccc(C(O)CN(C)C)cc1 | |
What is the building block token for the following molecule? | COc1ccc(C(O)CN(C)C)cc1 | <BB_9206> |
What is the molecular formula for <BB_9206>? | The molecular formula for <BB_9206> (COc1ccc(C(O)CN(C)C)cc1) is C11H17NO2. | |
Describe the ring structures in building block <BB_9206>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9206>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9206>. | **Token:** <BB_9206>
**SMILES:** COc1ccc(C(O)CN(C)C)cc1
**Molecular Formula:** C11H17NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_9207>. | N#Cc1cc(C(=O)[O-])ncc1N.[Na+] | |
What is the building block token for the following molecule? | N#Cc1cc(C(=O)[O-])ncc1N.[Na+] | <BB_9207> |
What is the molecular formula for <BB_9207>? | The molecular formula for <BB_9207> (N#Cc1cc(C(=O)[O-])ncc1N.[Na+]) is C7H4N3NaO2. | |
Describe the ring structures in building block <BB_9207>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9207>. | The molecule contains the following groups: Amine, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9207>. | **Token:** <BB_9207>
**SMILES:** N#Cc1cc(C(=O)[O-])ncc1N.[Na+]
**Molecular Formula:** C7H4N3NaO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Nitrile | |
Provide the SMILES representation for the building block token <BB_9208>. | Cl.N#C[C@H]1CCCC[C@H]1N | |
What is the building block token for the following molecule? | Cl.N#C[C@H]1CCCC[C@H]1N | <BB_9208> |
What is the molecular formula for <BB_9208>? | The molecular formula for <BB_9208> (Cl.N#C[C@H]1CCCC[C@H]1N) is C7H13ClN2. | |
Describe the ring structures in building block <BB_9208>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9208>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9208>. | **Token:** <BB_9208>
**SMILES:** Cl.N#C[C@H]1CCCC[C@H]1N
**Molecular Formula:** C7H13ClN2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9209>. | COc1cc(C)c2c(c1)NC(C(=O)O)C2.Cl | |
What is the building block token for the following molecule? | COc1cc(C)c2c(c1)NC(C(=O)O)C2.Cl | <BB_9209> |
What is the molecular formula for <BB_9209>? | The molecular formula for <BB_9209> (COc1cc(C)c2c(c1)NC(C(=O)O)C2.Cl) is C11H14ClNO3. | |
Describe the ring structures in building block <BB_9209>. | 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_9209>. | 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_9209>. | **Token:** <BB_9209>
**SMILES:** COc1cc(C)c2c(c1)NC(C(=O)O)C2.Cl
**Molecular Formula:** C11H14ClNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9210>. | CC(C)(C)C[C@@H]1C[C@H]1C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)C[C@@H]1C[C@H]1C(=O)O | <BB_9210> |
What is the molecular formula for <BB_9210>? | The molecular formula for <BB_9210> (CC(C)(C)C[C@@H]1C[C@H]1C(=O)O) is C9H16O2. | |
Describe the ring structures in building block <BB_9210>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9210>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9210>. | **Token:** <BB_9210>
**SMILES:** CC(C)(C)C[C@@H]1C[C@H]1C(=O)O
**Molecular Formula:** C9H16O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_9211>. | C[C@H](N)CC1CC1.Cl | |
What is the building block token for the following molecule? | C[C@H](N)CC1CC1.Cl | <BB_9211> |
What is the molecular formula for <BB_9211>? | The molecular formula for <BB_9211> (C[C@H](N)CC1CC1.Cl) is C6H14ClN. | |
Describe the ring structures in building block <BB_9211>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9211>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9211>. | **Token:** <BB_9211>
**SMILES:** C[C@H](N)CC1CC1.Cl
**Molecular Formula:** C6H14ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9212>. | COC1(OC)CCCN1C | |
What is the building block token for the following molecule? | COC1(OC)CCCN1C | <BB_9212> |
What is the molecular formula for <BB_9212>? | The molecular formula for <BB_9212> (COC1(OC)CCCN1C) is C7H15NO2. | |
Describe the ring structures in building block <BB_9212>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9212>. | The molecule contains the following groups: Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9212>. | **Token:** <BB_9212>
**SMILES:** COC1(OC)CCCN1C
**Molecular Formula:** C7H15NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9213>. | Nc1ncnc2c1ncn2CCCO | |
What is the building block token for the following molecule? | Nc1ncnc2c1ncn2CCCO | <BB_9213> |
What is the molecular formula for <BB_9213>? | The molecular formula for <BB_9213> (Nc1ncnc2c1ncn2CCCO) is C8H11N5O. | |
Describe the ring structures in building block <BB_9213>. | 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_9213>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9213>. | **Token:** <BB_9213>
**SMILES:** Nc1ncnc2c1ncn2CCCO
**Molecular Formula:** C8H11N5O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_9214>. | CCN1CC2(CNC2)C1.Cl.Cl | |
What is the building block token for the following molecule? | CCN1CC2(CNC2)C1.Cl.Cl | <BB_9214> |
What is the molecular formula for <BB_9214>? | The molecular formula for <BB_9214> (CCN1CC2(CNC2)C1.Cl.Cl) is C7H16Cl2N2. | |
Describe the ring structures in building block <BB_9214>. | 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_9214>. | 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_9214>. | **Token:** <BB_9214>
**SMILES:** CCN1CC2(CNC2)C1.Cl.Cl
**Molecular Formula:** C7H16Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9215>. | O=C(O)C1CC(c2ccc(Cl)cc2Cl)=NO1 | |
What is the building block token for the following molecule? | O=C(O)C1CC(c2ccc(Cl)cc2Cl)=NO1 | <BB_9215> |
What is the molecular formula for <BB_9215>? | The molecular formula for <BB_9215> (O=C(O)C1CC(c2ccc(Cl)cc2Cl)=NO1) is C10H7Cl2NO3. | |
Describe the ring structures in building block <BB_9215>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9215>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9215>. | **Token:** <BB_9215>
**SMILES:** O=C(O)C1CC(c2ccc(Cl)cc2Cl)=NO1
**Molecular Formula:** C10H7Cl2NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic 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_9216>. | O=Cc1ccc2[nH]nc(Cl)c2c1 | |
What is the building block token for the following molecule? | O=Cc1ccc2[nH]nc(Cl)c2c1 | <BB_9216> |
What is the molecular formula for <BB_9216>? | The molecular formula for <BB_9216> (O=Cc1ccc2[nH]nc(Cl)c2c1) is C8H5ClN2O. | |
Describe the ring structures in building block <BB_9216>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. |
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