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You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: COC1=C(N3C(SC1)C(NC(=O)C(N)C2C=CCC=C2)C3=O)C(O)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CC(C)(Oc1ccc(Cl)cc1)C(O)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C([S](CC)(=O)=O)C=CC(=C1C(NCC2N(CCC2)CC)=O)OC
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C(C2=C(C(=C1)OC)CCCC2N(C)C)Cl
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C(C(=NN=C1C2=CC=CC=C2)NCCN3CCOCC3)C#N
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C(Cl)C=CC4=C1N(CCCN3CCC(N2CCCCC2)(CC3)C(N)=O)C5=C(CC4)C=CC=C5
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [C@]34([C@H](C2[C@@](F)([C@@]1(C(=CC(=O)C=C1)[C@@H](F)C2)C)[C@@H](O)C3)C[C@H]5OC(O[C@@]45C(=O)COC(=O)C6CC6)(C)C)C
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=CC=CC3=C1N(C2=C(C=CC=C2)S3)C(CN(C)C)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C2=C(C(C1=CC=CC=C1)(CCN(C)C)C(CC)=O)C=CC=C2
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@@H](O)C[C@@]3([C@](C(CS)=O)(O)CC4)C
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CC1=CC(=O)Oc2cc(O)ccc12
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=CC=CC(=C1C(NC2=C(C=C(N(CC)CC)C=C2)C)=O)N
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C2=C1C(=NN=C(CC1=CC(=C2OC)OC)C)C3=CC=C(N)C=C3
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: c1ccc(cc1N)c1csc(n1)N=C(N)N
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: NC(CO)(CO)CO
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C(C(=C(C=C1\C=C\C(N)=O)OC)OC)OC
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [C@H]12[C@@](C(OC(=O)C)([C@H](C1)C)C(SC)=O)(C[C@H](O)C3(F)[C@H]2CCC4=CC(=O)C=C[C@]34C)C
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C[C@H]1CN(C[C@@H](C)N1)c2c(F)c(N)c3C(=O)C(=CN(C4CC4)c3c2F)C(O)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C(C(F)(F)F)C=CC3=C1N(C2=C(C=CC=C2)S3)C(CCN(CC)CC)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CC1OC(O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)C(O)C(O)C1O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](C3)O)CC4)C)(C(COC(CC)=O)=O)OC(CCC)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CN(C)Cc1oc(CSCCNC2C([N+]([O-])=O)=CC=N2)cc1
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CCC(C)[C@H]1O[C@]2(CC[C@@H]1C)CC3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](OC5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/6CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2.CO[C@H]8CC(O[C@@H](C)[C@@H]8O)O[C@H]9[C@H](C)O[C@H](C[C@@H]9OC)O[C@H]/%10[C@@H](C)/C=C/C=C/%11CO[C@@H]%12[C@H](O)C(=C[C@@H](C(=O)OC%13C[C@@H](C\C=C%10C)O[C@@]%14(CC[C@H](C)[C@H](O%14)C(C)C)C%13)[C@]%11%12O)C
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C(Cl)C=CC2=C1C(=NCC(N2CC[S](C3=CC=C(C)C=C3)(=O)=O)=O)C4=CC=CC=C4Cl
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CNC1C(O)C(OCC1(C)O)OC2C(O)C(OC3OC(CN)C(O)C(O)C3O)C(N)CC2NC(=O)C(O)CN
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=CC(=CC=C1C(CCCN3CCC(N2CCCCC2)(CC3)C(CC)=O)=O)F
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CC(C)C1NC(=O)C(NC(=O)c2ccc(C)c3OC4=C(C)C(=O)C(=C(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)C4=Nc23)N)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O)CC6CC6
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CO[C@H]1[C@@H](CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)OC(C)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [C@H](OC1=C(C=CC=C1)C)(C2=CC=CC=C2)CCNC
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C[S](O)(=O)=O.Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c4ccccc4)c2c1
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=CC(=CC=C1C2[S](CCC(N2C)=O)(=O)=O)Cl
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C(OC)C=CC2=NC=CC(=C12)CCCC3C(CNCC3)C=C
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: Nc1nc(Cl)nc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO)O3
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [O-][N+](C1=CC=NC1NCCSCc2ncccc2Br)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=CC(=CC=C1C(NC(C)C)=O)CNNC
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CN1N(C(=O)C=C1C)c2ccccc2
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: Cc1ccc(CC2=CN=C(NCCSCc3oc(cc3)C(C)(C)N)NC2=O)cn1
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CCCN(CCC)CCc1ccc(c2c1CC(N2)=C)O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: NN1C=Nc2cc3ccccc3cc2C1=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [C@H]34C1[C@@H](C2(C(C(=O)CC1)C(=O)C=C2)C)C(O)CC3([C@](O)(CC4)C(OC)=O)C
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CNCC(O)c1ccc(O)c(O)c1
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CCN(CC)C(=S)SSC(=S)N(CC)CC
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=CC=CC(=C1C2=NCC(N(C3=C2C(=N[N]3C)C)C)=O)F
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CCN1C=C(C(O)=O)C(=O)c2cc(F)c(nc12)N3CCNCC3
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=CC=CC3=C1C(C2=C(C=CC=C2)C3(C)C)=CCCN(C)C
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C4=C(C(C(=O)N1CCCC1)(C2=CC=CC=C2)C(CN3CCOCC3)C)C=CC=C4
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1CCCCC1
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C(C(F)(F)F)C=CC3=C1N(C2=CC=CC=C2)C(CC(N3C)=O)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C(C(F)(F)F)C=CC3=C1C(C2=C(C=C(F)C=C2)S3)CCCN4CCN(CCO)CC4
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: OCCN1CCN(CC\C=C/2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C2=C(C(OC1=CC=C(C=C1)C(F)(F)F)CCNC)C=CC=C2
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: OC(=O)CCCCCCCC(O)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C(O)C=CC2=C1C(=C[NH]2)CC(C(O)=O)N
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CCC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(CCO)CC4)c2c1
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: NC1=NC(=O)c2ncn(COCCO)c2N1
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=CC=CC(=C1N3CCN(CCC2=C[N](C)N=C2)CC3)Cl
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@H]6CCCCO6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [C@@]4(OC(=O)CCCC)(C3(C(C2C(C1(C(=CC(=O)CC1)CC2)C)C(O)C3)CC4)C)C(=O)CO
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=CC(=CC=C1C(CC(C)(C)O)(C)O)Cl
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CCOC(=O)c1cncn1C(C)c2ccccc2
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=CC(=CC3=C1[N]2C(=NN=C2CN(C)C)CN=C3C4=CC=CC=C4)Cl
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: NC(=O)OC1(CCCCC1)CC#C
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: Cc1sc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(N)c4ccc(O)cc4)C3=O)C(O)=O)nn1
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: O=C1Oc2ccccc2C=C1
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C(=C)OC=C
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C5=C4C3=C(C2N(CC1CC(OC)C(C(C1C2)C(OC)=O)OC)CC3)[NH]C4=CC(=C5)OC
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: c1nc(C2CCN(CC2)C(NC2CCCCC2)=S)c[nH]1
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [C@@]45(C1=C(C=CC(=C1)OC(N3CC2=CC=CC=C2CC3)=O)N([C@H]4N(C)CC5)C)C
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C2=C(C1=C(NC(C1)=O)C=C2)CCN(CCC)CCC
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=CC(=CC=C1C2(C(CC(C)C)N(C)C)CCC2)Cl
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=CC(=C3C2=C1CC5C4C2(C(O3)C(O)C=C4)CCN5)OC
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C(C(=C(C=C1)Cl)NC2=NCCO2)Cl
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C(OC)C=CC3=C1C(=CC2=C(C=CC=C2)O3)N4CCN(C)CC4
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [Br-].C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(c3ccccc3)c4ccccc4
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: S=C(NC1CCCCC1)N2CCC(CC2)c3[nH]cnc3
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CO[C@]1(NC(=O)C(C(O)=O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(O)=O)CSc4nnnn4C
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [C@H]1([C@](O)(CCCC1)C2=CC(=CC=C2)OC)CN(C)C.[H+].[Cl-]
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C(C(=C(C=C1)C)NC(C2=CC=C(N)C=C2)=O)C
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: Fc1ccc(cc1)C(CCCN2CCC(CC2)N3C(=O)Nc4ccccc34)c5ccc(F)cc5
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CN(C)C1=C(C)N(C)N(c2ccccc2)C1=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [Na+].C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C([O-])=O)COC(N)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [H+].C4=C3OCC(N(CCCCN1C(=O)CC2(CC1=O)CCCC2)CCC)CC3=C(OC)C=C4.[Cl-]
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=CC=CC2=C1CC(N(C)C)C(O2)C
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [C@]14([C@@]([C@@H](C)C[C@H]1[C@H]3[C@]([C@@]2(C(=CC(=O)C=C2)CC3)C)(F)[C@H](C4)O)(OC(CCCC)=O)C(CO)=O)C
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(O)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CNCCCC1c2ccccc2C=Cc3ccccc13
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: NNCCc1ccccc1.O[S](O)(=O)=O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: COc1ccc(C[C@H](N)C(=O)NC2[C@@H](O)[C@@H](O[C@@H]2CO)n3cnc4c(ncnc34)N(C)C)cc1
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C1=C(Cl)C=CC2=C1C(=NC(C(=O)N2)OC(C(C)(C)C)=O)C3=CC=CC=C3
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C2=C(OC(OC1=CC=CC=C1)CN(C)C)C=CC=C2
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: CN1CC(=CCC1)\C=N\OC
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C(O)=O)[C@H]3CCCO3
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| No |
|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Please strictly follow the format, no other information can be provided. Given the SMILES string of a molecule, the task focuses on predicting molecular properties, specifically penetration/non-penetration to the brain-blood barrier, based on the SMILES string representation of each molecule.
You will be provided with several example molecules, each accompanied by a binary label indicating whether it has penetrative property (Yes) or not (No).
Please answer with only Yes or No.
SMILES: [H+].C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN4CCN(C3=NC=CC=N3)CC4.[Cl-]
Penetration: Yes
SMILES: C(C(C1(C(NC(=O)NC1=O)=O)C=C)C)CC
Penetration: Yes
SMILES: OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3sccc3)C(=O)N12)CSc4[nH]ncn4
Penetration: No
SMILES: c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O
Penetration: No
Below is the molecule whose property you have to predict. Along with is the image structure of the molecule.
SMILES: [C@]14([C@H]([C@H]3[C@](F)([C@@H](O)C1)[C@@]2(C(=CC(=O)C=C2)CC3)C)C[C@@H]6[C@]4(CC5=CC=CC=C5C6)C(=O)CO)C.O
Penetration:
You have to predict whether it has Penetration with answer Yes or No.
| Yes |
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