molvision/ESOL-V-SMILES-0 · Datasets at Hugging Face

Question stringlengths 471 531	Answer stringlengths 19 34	TargetMolecule stringlengths 2 62	SampleMethod stringclasses 1 value	SampleRep stringclasses 1 value
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Log Solubility:	<float>-7.2</float>	ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): COc1ccc(Cl)cc1 Log Solubility:	<float>-2.78</float>	COc1ccc(Cl)cc1	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CCCN(CCC)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O Log Solubility:	<float>-5.68</float>	CCCN(CCC)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): Cc1c[nH]c2ccccc12 Log Solubility:	<float>-2.42</float>	Cc1c[nH]c2ccccc12	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): Clc1cccc(Cl)c1c2ccccc2 Log Solubility:	<float>-5.21</float>	Clc1cccc(Cl)c1c2ccccc2	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CCOP(=S)(OCC)Oc2ccc1oc(=O)c(Cl)c(C)c1c2 Log Solubility:	<float>-5.382000000000001</float>	CCOP(=S)(OCC)Oc2ccc1oc(=O)c(Cl)c(C)c1c2	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CC(C)CC(C)C Log Solubility:	<float>-4.26</float>	CC(C)CC(C)C	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CCCC=C Log Solubility:	<float>-2.68</float>	CCCC=C	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): ClC(Cl)CC(=O)NC2=C(Cl)C(=O)c1ccccc1C2=O Log Solubility:	<float>-5.03</float>	ClC(Cl)CC(=O)NC2=C(Cl)C(=O)c1ccccc1C2=O	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CC(C)N(C(=O)CCl)c1ccccc1 Log Solubility:	<float>-2.48</float>	CC(C)N(C(=O)CCl)c1ccccc1	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O Log Solubility:	<float>-2.111</float>	OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CN(C)c1ccccc1 Log Solubility:	<float>-1.92</float>	CN(C)c1ccccc1	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CC(=O)Nc1nnc(s1)S(N)(=O)=O Log Solubility:	<float>-2.36</float>	CC(=O)Nc1nnc(s1)S(N)(=O)=O	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): COC(=O)c1ccccc1C(=O)OC Log Solubility:	<float>-1.66</float>	COC(=O)c1ccccc1C(=O)OC	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CCCCCCCCC=C Log Solubility:	<float>-5.51</float>	CCCCCCCCC=C	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): Cc1c(cccc1N(=O)=O)N(=O)=O Log Solubility:	<float>-3.0</float>	Cc1c(cccc1N(=O)=O)N(=O)=O	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): Clc1cccc(I)c1 Log Solubility:	<float>-3.55</float>	Clc1cccc(I)c1	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CCCCCCCCBr Log Solubility:	<float>-5.06</float>	CCCCCCCCBr	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1 Log Solubility:	<float>-0.85</float>	CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1	scaffold	smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): Cn1ccc(=O)[nH]c1=O Log Solubility:	<float>-0.807</float>	Cn1ccc(=O)[nH]c1=O	scaffold	smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2 Log Solubility:

ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2

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smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): COc1ccc(Cl)cc1 Log Solubility:

COc1ccc(Cl)cc1

scaffold

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CCCN(CCC)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O Log Solubility:

CCCN(CCC)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O

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0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): Cc1c[nH]c2ccccc12 Log Solubility:

Cc1c[nH]c2ccccc12

scaffold

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): Clc1cccc(Cl)c1c2ccccc2 Log Solubility:

Clc1cccc(Cl)c1c2ccccc2

scaffold

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CCOP(=S)(OCC)Oc2ccc1oc(=O)c(Cl)c(C)c1c2 Log Solubility:

CCOP(=S)(OCC)Oc2ccc1oc(=O)c(Cl)c(C)c1c2

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0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CC(C)CC(C)C Log Solubility:

CC(C)CC(C)C

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0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CCCC=C Log Solubility:

CCCC=C

scaffold

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): ClC(Cl)CC(=O)NC2=C(Cl)C(=O)c1ccccc1C2=O Log Solubility:

ClC(Cl)CC(=O)NC2=C(Cl)C(=O)c1ccccc1C2=O

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0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CC(C)N(C(=O)CCl)c1ccccc1 Log Solubility:

CC(C)N(C(=O)CCl)c1ccccc1

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0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O Log Solubility:

OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O

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0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CN(C)c1ccccc1 Log Solubility:

CN(C)c1ccccc1

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0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CC(=O)Nc1nnc(s1)S(N)(=O)=O Log Solubility:

CC(=O)Nc1nnc(s1)S(N)(=O)=O

scaffold

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): COC(=O)c1ccccc1C(=O)OC Log Solubility:

COC(=O)c1ccccc1C(=O)OC

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0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CCCCCCCCC=C Log Solubility:

CCCCCCCCC=C

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0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): Cc1c(cccc1N(=O)=O)N(=O)=O Log Solubility:

Cc1c(cccc1N(=O)=O)N(=O)=O

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0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): Clc1cccc(I)c1 Log Solubility:

Clc1cccc(I)c1

scaffold

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CCCCCCCCBr Log Solubility:

CCCCCCCCBr

scaffold

0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1 Log Solubility:

CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1

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0

smiles

You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict the measured log solubility in mols per litre for this compound. Consider all molecular properties provided, especially the electronic configurations and molecular structure which influence solubility. Target Molecule (Smiles): Cn1ccc(=O)[nH]c1=O Log Solubility:

Cn1ccc(=O)[nH]c1=O

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0

smiles