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CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
How many rotatable bonds does this compound have?
|
1
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.
|
An achiral molecule
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Does this compound satisfy the rule-of-three criteria?
|
No
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Please provide a description of this drug's mechanism of action.
|
Carbonic anhydrase II inhibitor
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?
|
0
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Is it known whether this drug is administered parenterally?
|
No
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Is it known whether this drug is applied topically?
|
No
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Is this compound a small molecule polymer, such as polystyrene sulfonate?
|
No
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
What is the calculated ALogP value for this compound?
|
-1.42
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Is this molecule characterized by a small molecular structure or a protein sequence?
|
It has a small molecule structure.
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Please provide a description of this drug's mechanism of action.
|
Carbonic anhydrase VII inhibitor
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.
|
No
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.
|
Approved
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
What is the first recorded year of approval for this drug?
|
1959
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Please provide a description of this drug's mechanism of action.
|
Carbonic anhydrase I inhibitor
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Is there a black box warning associated with this drug?
|
No
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?
|
No
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
How many hydrogen bond acceptors does this compound have?
|
6
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?
|
Yes
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
What is the polar surface area (PSA) value of this compound?
|
107.41
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Please provide a description of this drug's mechanism of action.
|
Carbonic anhydrase IV inhibitor
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?
|
No
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?
|
0
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
How many heavy (non-hydrogen) atoms does this compound have?
|
14
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
How many aromatic rings does this compound have?
|
1
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Is this compound an acid, a base, or neutral?
|
NEUTRAL
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Determine the type of availability for this drug.
|
prescription only
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Is it known whether this drug is taken orally?
|
Yes
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?
|
7
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Is the drug administered in this specific form, such as a particular salt?
|
Yes
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Determine if this compound is a prodrug.
|
No
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
What is the molecular weight of this compound's parent molecule?
|
236.28
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?
|
2
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
Which USAN substem can this drug or clinical candidate name be matched with?
|
-zolamide
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
What is the definition of this compound's USAN stem?
|
carbonic anhydrase inhibitors
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
What is the molecular formula of this compound, including any salt that it may have?
|
C5H8N4O3S2
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
How many hydrogen bond donors does this compound have?
|
1
|
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C
|
What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.
|
Small molecule
|
COc1ccccc1OCC(O)COC(N)=O
|
What is the molecular weight of this compound's parent molecule?
|
241.24
|
COc1ccccc1OCC(O)COC(N)=O
|
How many hydrogen bond acceptors are there in this compound, calculated according to Lipinski's original rules (i.e., counting N and O atoms)?
|
6
|
COc1ccccc1OCC(O)COC(N)=O
|
Does this compound satisfy the rule-of-three criteria?
|
No
|
COc1ccccc1OCC(O)COC(N)=O
|
How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?
|
0
|
COc1ccccc1OCC(O)COC(N)=O
|
Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.
|
Racemic mixture
|
COc1ccccc1OCC(O)COC(N)=O
|
Is it known whether this drug is applied topically?
|
No
|
COc1ccccc1OCC(O)COC(N)=O
|
Is this compound a small molecule polymer, such as polystyrene sulfonate?
|
No
|
COc1ccccc1OCC(O)COC(N)=O
|
Is this molecule characterized by a small molecular structure or a protein sequence?
|
It has a small molecule structure.
|
COc1ccccc1OCC(O)COC(N)=O
|
Is it known whether this drug is administered parenterally?
|
Yes
|
COc1ccccc1OCC(O)COC(N)=O
|
Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.
|
No
|
COc1ccccc1OCC(O)COC(N)=O
|
What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.
|
Approved
|
COc1ccccc1OCC(O)COC(N)=O
|
Please provide a description of this drug's mechanism of action.
|
Carbonic anhydrase I inhibitor
|
COc1ccccc1OCC(O)COC(N)=O
|
Is there a black box warning associated with this drug?
|
No
|
COc1ccccc1OCC(O)COC(N)=O
|
What is the polar surface area (PSA) value of this compound?
|
91.01
|
COc1ccccc1OCC(O)COC(N)=O
|
How many rotatable bonds does this compound have?
|
6
|
COc1ccccc1OCC(O)COC(N)=O
|
Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?
|
No
|
COc1ccccc1OCC(O)COC(N)=O
|
What is the calculated ALogP value for this compound?
|
0.53
|
COc1ccccc1OCC(O)COC(N)=O
|
Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?
|
Yes
|
COc1ccccc1OCC(O)COC(N)=O
|
How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?
|
3
|
COc1ccccc1OCC(O)COC(N)=O
|
Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?
|
No
|
COc1ccccc1OCC(O)COC(N)=O
|
How many hydrogen bond donors does this compound have?
|
2
|
COc1ccccc1OCC(O)COC(N)=O
|
How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?
|
0
|
COc1ccccc1OCC(O)COC(N)=O
|
How many aromatic rings does this compound have?
|
1
|
COc1ccccc1OCC(O)COC(N)=O
|
Is this compound an acid, a base, or neutral?
|
NEUTRAL
|
COc1ccccc1OCC(O)COC(N)=O
|
How many heavy (non-hydrogen) atoms does this compound have?
|
17
|
COc1ccccc1OCC(O)COC(N)=O
|
Determine the type of availability for this drug.
|
prescription only
|
COc1ccccc1OCC(O)COC(N)=O
|
Is it known whether this drug is taken orally?
|
Yes
|
COc1ccccc1OCC(O)COC(N)=O
|
Is the drug administered in this specific form, such as a particular salt?
|
Yes
|
COc1ccccc1OCC(O)COC(N)=O
|
Determine if this compound is a prodrug.
|
No
|
COc1ccccc1OCC(O)COC(N)=O
|
How many hydrogen bond acceptors does this compound have?
|
5
|
COc1ccccc1OCC(O)COC(N)=O
|
What is the molecular formula of this compound, including any salt that it may have?
|
C11H15NO5
|
COc1ccccc1OCC(O)COC(N)=O
|
What is the classification of this molecule? Please respond with Small Molecule, Protein, Antibody, Oligosaccharide, Oligonucleotide, Cell, Enzyme, Gene, or Unknown.
|
Small molecule
|
COc1ccccc1OCC(O)COC(N)=O
|
What is the first recorded year of approval for this drug?
|
1957
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
What is the polar surface area (PSA) value of this compound?
|
115.04
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Determine if this drug is administered as a racemic mixture, a single stereoisomer, an achiral molecule, or has an unknown chirality.
|
An achiral molecule
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
What is the calculated ALogP value for this compound?
|
-0.86
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Does this compound satisfy the rule-of-three criteria?
|
No
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Please provide a description of this drug's mechanism of action.
|
Carbonic anhydrase II inhibitor
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
How many violations of Lipinski's Rule of Five are there for this compound, using the HBA_LIPINSKI and HBD_LIPINSKI counts?
|
0
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
What is the first recorded year of approval for this drug?
|
1990
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Is it known whether this drug is applied topically?
|
No
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Is this compound a small molecule polymer, such as polystyrene sulfonate?
|
No
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Is this molecule characterized by a small molecular structure or a protein sequence?
|
It has a small molecule structure.
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Is it known whether this drug is administered parenterally?
|
Yes
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Determine if this molecule is inorganic, meaning it contains only metal atoms and fewer than two carbon atoms.
|
No
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
What is the highest development stage achieved for this compound across all indications? Please respond with Approved, Phase 3 Clinical Trials, Phase 2 Clinical Trials, Phase 1 Clinical Trials, Early Phase 1 Clinical Trials, or Clinical Phase Unknown.
|
Approved
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Please provide a description of this drug's mechanism of action.
|
Carbonic anhydrase I inhibitor
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Is there a black box warning associated with this drug?
|
No
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Is it known if this drug is the first approved in its class, regardless of the indication or route of administration, acting on a specific target?
|
No
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
How many hydrogen bond acceptors does this compound have?
|
6
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Is this drug used for therapeutic purposes, rather than for imaging, additives, or other non-therapeutic applications?
|
Yes
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
How many hydrogen bond donors are there in this compound, calculated according to Lipinski's original rules (i.e., counting NH and OH groups)?
|
3
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Please provide a description of this drug's mechanism of action.
|
Carbonic anhydrase IV inhibitor
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Has this approved drug been withdrawn due to toxicity reasons for all indications, populations, and doses in at least one country (not necessarily the US)?
|
No
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
What is the molecular formula of this compound, including any salt that it may have?
|
C4H5N4NaO3S2
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
How many hydrogen bond donors does this compound have?
|
2
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
How many violations of Lipinski's Rule of Five (using HBA and HBD definitions) are there for this compound?
|
0
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Is it known whether this drug is taken orally?
|
No
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
How many aromatic rings does this compound have?
|
1
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Is this compound an acid, a base, or neutral?
|
NEUTRAL
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
Determine the type of availability for this drug.
|
prescription only
|
CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
|
How many rotatable bonds does this compound have?
|
2
|
End of preview. Expand
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Dataset Card for ChEMBL Drug Instruction Tuning
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