hcaoaf/MoleculeQA · Datasets at Hugging Face

text stringlengths 3 799
" B
9411 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: CCC(C)N1C(=O)C(=C(NC1=O)C)Br
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It provides a totally novel mode of action with potential importance for diseases associated with ageing of the brain.
Option B: It exhibits the action of interfering with photosynthesis by entering the plant through the root zone and moving throughout the plant.
Option C: It exhibits the action of interfering with mitotic division through contact.
Option D: It undergoes biotransformation to form the active moiety for antifungal actions.
" B
441397 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)[C@@H](C3=CC=CC=C3)N)(C)C
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It exhibits the actions of being a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter.
Option B: It exhibits the action of exerting a bactericidal action through the inhibition of the biosynthesis of cell wall mucopeptides.
Option C: It exhibits the action of acting as an inhibitor of cholinesterase and being highly toxic by all routes of exposure.
Option D: It exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols.
" B
5284371 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It acts as an excitotoxin on glutamate receptors such as NMDA, calcium dependent AMPA and kainite receptors.
Option B: It has multiple actions, including activating GABA(B) receptors, enhancing NMDA current, blocking AMPA-receptor-mediated transmission, binding to the L-alpha-amino acid transporter, activating ATP-sensitive K(+) channels, activating hyperpolarization-activated cation channels, and modulating Ca(2+) current.
Option C: It is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity.
Option D: It exhibits the actions of closing N-type voltage-operated calcium channels (OP2-receptor agonist) and opening calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist).
" D
16490 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It exhibits the action of acting as an inhibitor of cholinesterase and being highly toxic by all routes of exposure.
Option B: It exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols.
Option C: It exhibits the action of concentrating its anti-inflammatory action at the site of application due to being a privalate salt.
Option D: It is used for the prevention and management of angina pectoris caused by coronary artery disease, but its onset of action is not rapid enough to offset an acute anginal episode.
" C
2519 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity.
Option B: It exhibits the actions of being a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter.
Option C: It has multiple actions, including activating GABA(B) receptors, enhancing NMDA current, blocking AMPA-receptor-mediated transmission, binding to the L-alpha-amino acid transporter, activating ATP-sensitive K(+) channels, activating hyperpolarization-activated cation channels, and modulating Ca(2+) current.
Option D: It exhibits the action of mediating at least some of its immunomodulatory actions via inhibition of cyclic adenosine monophosphate (cAMP)-phosphodiesterase (PDE), and consequential increase in intracellular cAMP concentrations.
" D
91731 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It is used for the prevention and management of angina pectoris caused by coronary artery disease, but its onset of action is not rapid enough to offset an acute anginal episode.
Option B: It exhibits the actions of being a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter.
Option C: It exhibits the action of having a delayed onset, narrow therapeutic window, need for regular monitoring and INR testing, and numerous drug-drug and drug-food interactions, which limits its effective use for stroke prevention.
Option D: It exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols.
" D
3117 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: CCN(CC)C(=S)SSC(=S)N(CC)CC
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It causes relaxation of smooth muscle in blood vessels and the prostate.
Option B: It exhibits the action of directly stimulating the uterine muscle to increase force and frequency of contractions.
Option C: It has direct actions on blood vessels and increases cardiac output.
Option D: It exhibits the action of markedly altering the intermediary metabolism of alcohol.
" D
443884 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It exhibits the action of directly stimulating the uterine muscle to increase force and frequency of contractions.
Option B: It has direct actions on blood vessels and increases cardiac output.
Option C: It causes relaxation of smooth muscle in blood vessels and the prostate.
Option D: It provides a totally novel mode of action with potential importance for diseases associated with ageing of the brain.
" A
6267 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: C([C@@H](C(=O)O)N)C(=O)N
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols.
Option B: It exhibits the action of capping the hydrogen bond interactions which would otherwise need to be satisfied by the polypeptide backbone.
Option C: It has cardiac stimulant action without evoking vasoconstriction or tachycardia.
Option D: It has vasodilating action due to its antagonism of the actions of the calcium ion in membrane functions.
" B
19395 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: CCOP(=S)(OCC)OP(=S)(OCC)OCC
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It is used for the prevention and management of angina pectoris caused by coronary artery disease, but its onset of action is not rapid enough to offset an acute anginal episode.
Option B: It exhibits the actions of being a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter.
Option C: It exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols.
Option D: It exhibits the action of acting as an inhibitor of cholinesterase and being highly toxic by all routes of exposure.
" D
31236 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: C1=CC=C(C=C1)OCCO
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It exhibits the action of causing respiratory depression in infants when combined with Chlorphenesin.
Option B: Its effectiveness is enhanced when administered in combination with cilastatin.
Option C: It antagonizes cyclopamine action at the Smo receptor and activates the Hedgehog signaling pathway in a Patched independent manner.
Option D: It has cardiac stimulant action without evoking vasoconstriction or tachycardia.
" A
2431 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: CC[N+](C)(C)CC1=CC=CC=C1Br
Question about this molecule: Which kind of action does this molecule have/exhibit?
Option A: It has direct actions on blood vessels and increases cardiac output.
Option B: It can inhibit phosphodiesterases and may have direct actions on calcium channels.
Option C: It exhibits the action of inhibiting voltage-gated K(+) channels.
Option D: It exhibits the action of directly stimulating the uterine muscle to increase force and frequency of contractions.
" C
1018 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.
Molecule SMILES: C1=CC=NC(=C1)C(=O)O
Question about this molecule: Which kind of action does this molecule have/exhibit?

" B

9411 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: CCC(C)N1C(=O)C(=C(NC1=O)C)Br

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It provides a totally novel mode of action with potential importance for diseases associated with ageing of the brain.

Option B: It exhibits the action of interfering with photosynthesis by entering the plant through the root zone and moving throughout the plant.

Option C: It exhibits the action of interfering with mitotic division through contact.

Option D: It undergoes biotransformation to form the active moiety for antifungal actions.

" B

441397 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)[C@@H](C3=CC=CC=C3)N)(C)C

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It exhibits the actions of being a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter.

Option B: It exhibits the action of exerting a bactericidal action through the inhibition of the biosynthesis of cell wall mucopeptides.

Option C: It exhibits the action of acting as an inhibitor of cholinesterase and being highly toxic by all routes of exposure.

Option D: It exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols.

" B

5284371 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It acts as an excitotoxin on glutamate receptors such as NMDA, calcium dependent AMPA and kainite receptors.

Option B: It has multiple actions, including activating GABA(B) receptors, enhancing NMDA current, blocking AMPA-receptor-mediated transmission, binding to the L-alpha-amino acid transporter, activating ATP-sensitive K(+) channels, activating hyperpolarization-activated cation channels, and modulating Ca(2+) current.

Option C: It is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity.

Option D: It exhibits the actions of closing N-type voltage-operated calcium channels (OP2-receptor agonist) and opening calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist).

" D

16490 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It exhibits the action of acting as an inhibitor of cholinesterase and being highly toxic by all routes of exposure.

Option B: It exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols.

Option C: It exhibits the action of concentrating its anti-inflammatory action at the site of application due to being a privalate salt.

Option D: It is used for the prevention and management of angina pectoris caused by coronary artery disease, but its onset of action is not rapid enough to offset an acute anginal episode.

" C

2519 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity.

Option B: It exhibits the actions of being a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter.

Option C: It has multiple actions, including activating GABA(B) receptors, enhancing NMDA current, blocking AMPA-receptor-mediated transmission, binding to the L-alpha-amino acid transporter, activating ATP-sensitive K(+) channels, activating hyperpolarization-activated cation channels, and modulating Ca(2+) current.

Option D: It exhibits the action of mediating at least some of its immunomodulatory actions via inhibition of cyclic adenosine monophosphate (cAMP)-phosphodiesterase (PDE), and consequential increase in intracellular cAMP concentrations.

" D

91731 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It is used for the prevention and management of angina pectoris caused by coronary artery disease, but its onset of action is not rapid enough to offset an acute anginal episode.

Option B: It exhibits the actions of being a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter.

Option C: It exhibits the action of having a delayed onset, narrow therapeutic window, need for regular monitoring and INR testing, and numerous drug-drug and drug-food interactions, which limits its effective use for stroke prevention.

Option D: It exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols.

" D

3117 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: CCN(CC)C(=S)SSC(=S)N(CC)CC

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It causes relaxation of smooth muscle in blood vessels and the prostate.

Option B: It exhibits the action of directly stimulating the uterine muscle to increase force and frequency of contractions.

Option C: It has direct actions on blood vessels and increases cardiac output.

Option D: It exhibits the action of markedly altering the intermediary metabolism of alcohol.

" D

443884 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It exhibits the action of directly stimulating the uterine muscle to increase force and frequency of contractions.

Option B: It has direct actions on blood vessels and increases cardiac output.

Option C: It causes relaxation of smooth muscle in blood vessels and the prostate.

Option D: It provides a totally novel mode of action with potential importance for diseases associated with ageing of the brain.

" A

6267 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: C([C@@H](C(=O)O)N)C(=O)N

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols.

Option B: It exhibits the action of capping the hydrogen bond interactions which would otherwise need to be satisfied by the polypeptide backbone.

Option C: It has cardiac stimulant action without evoking vasoconstriction or tachycardia.

Option D: It has vasodilating action due to its antagonism of the actions of the calcium ion in membrane functions.

" B

19395 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: CCOP(=S)(OCC)OP(=S)(OCC)OCC

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It is used for the prevention and management of angina pectoris caused by coronary artery disease, but its onset of action is not rapid enough to offset an acute anginal episode.

Option B: It exhibits the actions of being a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and a centrally acting neurotransmitter.

Option C: It exhibits the actions of being an extremely potent uncoupler of oxidative phosphorylation in mitochondria and having high reactivity with thiols.

Option D: It exhibits the action of acting as an inhibitor of cholinesterase and being highly toxic by all routes of exposure.

" D

31236 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: C1=CC=C(C=C1)OCCO

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It exhibits the action of causing respiratory depression in infants when combined with Chlorphenesin.

Option B: Its effectiveness is enhanced when administered in combination with cilastatin.

Option C: It antagonizes cyclopamine action at the Smo receptor and activates the Hedgehog signaling pathway in a Patched independent manner.

Option D: It has cardiac stimulant action without evoking vasoconstriction or tachycardia.

" A

2431 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: CC[N+](C)(C)CC1=CC=CC=C1Br

Question about this molecule: Which kind of action does this molecule have/exhibit?

Option A: It has direct actions on blood vessels and increases cardiac output.

Option B: It can inhibit phosphodiesterases and may have direct actions on calcium channels.

Option C: It exhibits the action of inhibiting voltage-gated K(+) channels.

Option D: It exhibits the action of directly stimulating the uterine muscle to increase force and frequency of contractions.

" C

1018 "Please complete the following question answering task: You are given a SMILES of a molecule and a question about it with several options, please analysis the structure of the molecule and choose the right answer for the question from given options.

Molecule SMILES: C1=CC=NC(=C1)C(=O)O

Question about this molecule: Which kind of action does this molecule have/exhibit?