Question stringlengths 580 977 | Answer stringclasses 2 values | TargetMolecule stringlengths 3 400 | SampleMethod stringclasses 1 value | SampleNum int64 0 0 | SampleRep stringclasses 1 value | image imagewidth (px) 300 300 |
|---|---|---|---|---|---|---|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): OC1=C(C2CCC(CC2)c3ccc(Cl)cc3)C(=O)C(=O)c4ccccc14
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | OC1=C(C2CCC(CC2)c3ccc(Cl)cc3)C(=O)C(=O)c4ccccc14 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C(C)CCC(=O)OC3(CCC4C2CCC1=CC(=O)C=CC1(C)C2C(O)CC34C)C(=O)CO
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C(C)CCC(=O)OC3(CCC4C2CCC1=CC(=O)C=CC1(C)C2C(O)CC34C)C(=O)CO | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): c12[C@]34[C@@]56[C@H]([N@@](CC7CC7)CC4)Cc2ccc(c1O[C@H]3[C@](OC)([C@H](C5)[C@](C(C)(C)C)(C)O)CC6)O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | c12[C@]34[C@@]56[C@H]([N@@](CC7CC7)CC4)Cc2ccc(c1O[C@H]3[C@](OC)([C@H](C5)[C@](C(C)(C)C)(C)O)CC6)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): c1(cc(c(cc1)Cl)Cl)CC(N1CCCC[C@H]1CN1CCCC1)=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | c1(cc(c(cc1)Cl)Cl)CC(N1CCCC[C@H]1CN1CCCC1)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=C(Cl)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN4CCN(CCO)CC4
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=C(Cl)C=CC3=C1N(C2=C(C=CC=C2)S3)CCCN4CCN(CCO)CC4 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=C([S](C)(=O)=O)C=CC(=C1C(NCCN(CC)CC)=O)OC
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=C([S](C)(=O)=O)C=CC(=C1C(NCCN(CC)CC)=O)OC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@H]23[C@@]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)([C@H](C[C@]4([C@H]3C[C@@H](C)[C@@]4(C(CO)=O)O)C)O)F
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@H]23[C@@]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)([C@H](C[C@]4([C@H]3C[C@@H](C)[C@@]4(C(CO)=O)O)C)O)F | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): ClC1=CC=CC(OC2CCN(CCC3CCCN3S(C4=CC(N([H])C=C5)=C5C=C4)(=O)=O)CC2)=C1
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | ClC1=CC=CC(OC2CCN(CCC3CCCN3S(C4=CC(N([H])C=C5)=C5C=C4)(=O)=O)CC2)=C1 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=CC(=CC=C1C(C[N]2C=CN=C2)O)CCC3=CC=CC=C3
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=CC(=CC=C1C(C[N]2C=CN=C2)O)CCC3=CC=CC=C3 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=CC=CC3=C1C4=C(C2=C(C=CC=C2)N3C)CCN(CC4)C
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=CC=CC3=C1C4=C(C2=C(C=CC=C2)N3C)CCN(CC4)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C[C@]1(Cn2ccnn2)[C@@H](N3[C@@H](CC3=O)[S]1(=O)=O)C(O)=O
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | C[C@]1(Cn2ccnn2)[C@@H](N3[C@@H](CC3=O)[S]1(=O)=O)C(O)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C(C1(COC(C(Cl)(Cl)Cl)OC1)CO)O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C(C1(COC(C(Cl)(Cl)Cl)OC1)CO)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [H+].C1=CC3=C([N]1N(C2=CC=NC=C2)CCC)C=CC=C3.[Cl-]
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [H+].C1=CC3=C([N]1N(C2=CC=NC=C2)CCC)C=CC=C3.[Cl-] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@]23([C@H]([C@H]1[C@]([C@](C(C)=O)(O)CC1)(C)C[C@@H]2O)C[C@H](C)C4=CC(=O)C=C[C@]34C)F
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@]23([C@H]([C@H]1[C@]([C@](C(C)=O)(O)CC1)(C)C[C@@H]2O)C[C@H](C)C4=CC(=O)C=C[C@]34C)F | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)(F)[C@H](C3)O)CC4)C)(C(COC(C)=O)=O)OC(CCC)=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)(F)[C@H](C3)O)CC4)C)(C(COC(C)=O)=O)OC(CCC)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=C(Cl)C=CC4=C1N(CCCN3CCC(N2CCCCC2)(CC3)C(N)=O)C5=C(CC4)C=CC=C5
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=C(Cl)C=CC4=C1N(CCCN3CCC(N2CCCCC2)(CC3)C(N)=O)C5=C(CC4)C=CC=C5 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): Cn1cnc2N(C)C(=O)NC(=O)c12
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | Cn1cnc2N(C)C(=O)NC(=O)c12 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): NC1CONC1=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | NC1CONC1=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C(C1(C(NC(=O)NC1=O)=O)CC=C)C(C)(C)C
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C(C1(C(NC(=O)NC1=O)=O)CC=C)C(C)(C)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@]12(OC(O[C@@H]1CC3C2(CC(O)[C@H]4C3C[C@H](F)C5=CC(=O)C=CC45C)C)(C)C)C(=O)COC(=O)C
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@]12(OC(O[C@@H]1CC3C2(CC(O)[C@H]4C3C[C@H](F)C5=CC(=O)C=CC45C)C)(C)C)C(=O)COC(=O)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CN1CC(=CCC1)\C=N\OC
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | CN1CC(=CCC1)\C=N\OC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CCCC(C)CC
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | CCCC(C)CC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=CC=CC2=C1N=C(S2)N(C4CCN(CC(COC3=CC=C(C=C3)F)O)CC4)C
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=CC=CC2=C1N=C(S2)N(C4CCN(CC(COC3=CC=C(C=C3)F)O)CC4)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@@]45([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]4OC(O5)(C)C)C)C(COC(C6=CC7=C(O6)C=CC=C7)=O)=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@@]45([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]4OC(O5)(C)C)C)C(COC(C6=CC7=C(O6)C=CC=C7)=O)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): COc1ccc2Sc3ccccc3N(CCCN(C)C)c2c1
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | COc1ccc2Sc3ccccc3N(CCCN(C)C)c2c1 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@@H](C1=CC=C(C=C1)[S](C)(=O)=O)([C@H](NC(C(Cl)Cl)=O)CF)O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@@H](C1=CC=C(C=C1)[S](C)(=O)=O)([C@H](NC(C(Cl)Cl)=O)CF)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): COCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3C(=O)C(NC3(C)C)c4ccccc4)C2=O
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | COCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N3C(=O)C(NC3(C)C)c4ccccc4)C2=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CCN(CC)C(C)=NN=Cc1c(O)c2c3C(=O)C4(C)OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)Nc1c(O)c2c(O)c(C)c3O4
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | CCN(CC)C(C)=NN=Cc1c(O)c2c3C(=O)C4(C)OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)Nc1c(O)c2c(O)c(C)c3O4 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=CC=CC2=C1C4=C([NH]2)CN3CCN(CC3C4)CCCC(C5=CC=C(C=C5)F)=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=CC=CC2=C1C4=C([NH]2)CN3CCN(CC3C4)CCCC(C5=CC=C(C=C5)F)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): ClC(CCC)O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | ClC(CCC)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [H+].[Cl-].Clc1ccc2Sc3ccccc3N(CCCN4CCC5(CC4)NC(=O)CS5)c2c1
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [H+].[Cl-].Clc1ccc2Sc3ccccc3N(CCCN4CCC5(CC4)NC(=O)CS5)c2c1 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(N)/O)C1=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C4=C2C1=C(CCC3=C(N1CCC2NC)C=CC=C3)C=C4
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C4=C2C1=C(CCC3=C(N1CCC2NC)C=CC=C3)C=C4 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=CC(=CC=C1[S](N2CC3CCC(C2)CC3)(=O)=O)N
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=CC(=CC=C1[S](N2CC3CCC(C2)CC3)(=O)=O)N | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): NCC1CCC(N)C(O1)OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | NCC1CCC(N)C(O1)OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)(F)[C@H](C3)O)C[C@@H]4C)C)(C(COC(C)=O)=O)OC(C)=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)[C@H](C2)F)C)(F)[C@H](C3)O)C[C@@H]4C)C)(C(COC(C)=O)=O)OC(C)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target 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
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [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 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@@]12(C3=C(N(C)[C@H]1N(C)CC2)C=CC(=C3)OC(NCCCCCCC)=O)C
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@@]12(C3=C(N(C)[C@H]1N(C)CC2)C=CC(=C3)OC(NCCCCCCC)=O)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@H](C(=O)OC1=CC=C(C=C1)NC(=O)C)(NC(=O)C)CCSC
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@H](C(=O)OC1=CC=C(C=C1)NC(=O)C)(NC(=O)C)CCSC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): c12c(nc([nH]1)NC(OC)=O)cc(SCCC)cc2
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | c12c(nc([nH]1)NC(OC)=O)cc(SCCC)cc2 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CSC1=C(N=C(N=C1N2CCN(C)CC2)NC(C)C)Cl
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | CSC1=C(N=C(N=C1N2CCN(C)CC2)NC(C)C)Cl | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CNCCCN1c2ccccc2CCc3ccccc13
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | CNCCCN1c2ccccc2CCc3ccccc13 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [H+].C2=C(CC1=CC=CC=C1)C(=CC=C2)OCCCCNC.[Cl-]
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [H+].C2=C(CC1=CC=CC=C1)C(=CC=C2)OCCCCNC.[Cl-] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [H+].[Cl-].CCN(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [H+].[Cl-].CCN(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=CC=NC(=N1)N3CCN(CCCC[N]2C=C(Cl)C=N2)CC3
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=CC=NC(=N1)N3CCN(CCCC[N]2C=C(Cl)C=N2)CC3 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CN1CCc2cccc3c2[C@H]1Cc4ccc(O)c(O)c34
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | CN1CCc2cccc3c2[C@H]1Cc4ccc(O)c(O)c34 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(/O)NCN5CCCC(C5)C(O)=O)C1=O
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)\C(=C(/O)NCN5CCCC(C5)C(O)=O)C1=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=CC=CC2=C1SC5=C(N2CC3C4CCN(C3)CC4)C=CC=C5
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=CC=CC2=C1SC5=C(N2CC3C4CCN(C3)CC4)C=CC=C5 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=CC=CC=C1C3(CCN(CCCC(C2=CC=C(F)C=C2)=O)CC3)CNC(C)=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=CC=CC=C1C3(CCN(CCCC(C2=CC=C(F)C=C2)=O)CC3)CNC(C)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=C(C(C(C)(C)O)(C)O)C=CC(=C1)Cl
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=C(C(C(C)(C)O)(C)O)C=CC(=C1)Cl | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): NC(N)=NCC1COC2(CCCCC2)O1
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | NC(N)=NCC1COC2(CCCCC2)O1 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=C(N=C2[N]1C(=C(CC)C(=N2)OC)C)C(C3=CC=CC=C3)=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=C(N=C2[N]1C(=C(CC)C(=N2)OC)C)C(C3=CC=CC=C3)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@]12(OC(O[C@@H]1CC3C2(CC(O)[C@@]4(F)C3CC(=C5C4(CCC(=C5)OCCCl)C)C=O)C)(C)C)C(=O)COC(=O)C
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@]12(OC(O[C@@H]1CC3C2(CC(O)[C@@]4(F)C3CC(=C5C4(CCC(=C5)OCCCl)C)C=O)C)(C)C)C(=O)COC(=O)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): COC(F)(F)C(Cl)Cl
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | COC(F)(F)C(Cl)Cl | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@H](OC1=C(C=CC=C1)C)(C2=CC=CC=C2)CCNC
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@H](OC1=C(C=CC=C1)C)(C2=CC=CC=C2)CCNC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): OC(=O)CNC(=O)c1ccccc1O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | OC(=O)CNC(=O)c1ccccc1O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): c1c2c(cc(c1)Cl)[C@@H]1[C@H](c3ccccc3O2)CN(C1)C
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | c1c2c(cc(c1)Cl)[C@@H]1[C@H](c3ccccc3O2)CN(C1)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@@H]2(C1=CC=CC=C1[C@H](NC)C2)C3=CC=C(Cl)C(=C3)Cl.[H+].[Cl-]
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@@H]2(C1=CC=CC=C1[C@H](NC)C2)C3=CC=C(Cl)C(=C3)Cl.[H+].[Cl-] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@H]4(CC3C2=C1C(=C[N](C1=CC=C2)C(C)C)CC3N(C4)C)C(NC5CCCCC5)=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@H]4(CC3C2=C1C(=C[N](C1=CC=C2)C(C)C)CC3N(C4)C)C(NC5CCCCC5)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): N1(c2c(Sc3c1cccc3)ccc(c2)Cl)CCCNC
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | N1(c2c(Sc3c1cccc3)ccc(c2)Cl)CCCNC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): c1(nc(NC(N)=[NH2])sc1)CSCCNC(=[NH]C#N)NC
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | c1(nc(NC(N)=[NH2])sc1)CSCCNC(=[NH]C#N)NC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=CC(=CC=C1N2[S](CCCC2)(=O)=O)[S](N)(=O)=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=CC(=CC=C1N2[S](CCCC2)(=O)=O)[S](N)(=O)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]4C)C)(OC(C5=CC=CO5)=O)C(COC(C)=O)=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]4C)C)(OC(C5=CC=CO5)=O)C(COC(C)=O)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=CC=CC=C1C2OC(=NC2=O)N(C)C
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=CC=CC=C1C2OC(=NC2=O)N(C)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): O=C2\C(=C1\OC=NN1)C=CC=C2
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | O=C2\C(=C1\OC=NN1)C=CC=C2 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): FC(F)(F)COC=C
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | FC(F)(F)COC=C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=C(C2=C(C(=C1)OC)CCCC2N(C)C)Cl
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=C(C2=C(C(=C1)OC)CCCC2N(C)C)Cl | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=C(Cl)C=CC2=C1C(=NC(OC(N(C)C)=O)C(N2C)=O)C3=CC=CC=C3
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=C(Cl)C=CC2=C1C(=NC(OC(N(C)C)=O)C(N2C)=O)C3=CC=CC=C3 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=CC=CC2=C1N(C3=C(C=C2)C=CC=C3)CCCN(C)C
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=CC=CC2=C1N(C3=C(C=C2)C=CC=C3)CCCN(C)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)\C=C\c6cc(OC)c(OC)c(OC)c6
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)\C=C\c6cc(OC)c(OC)c(OC)c6 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=C(C(=N[N]1CCCN(C)C)C2=CC=CC=C2)C3=CC=CC=C3
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=C(C(=N[N]1CCCN(C)C)C2=CC=CC=C2)C3=CC=CC=C3 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CCCNC(=O)N[S](=O)(=O)c1ccc(Cl)cc1
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | CCCNC(=O)N[S](=O)(=O)c1ccc(Cl)cc1 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=C(C=CC=C1N3CCN(CCC2=N[NH]C(=C2)C)CC3)C
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=C(C=CC=C1N3CCN(CCC2=N[NH]C(=C2)C)CC3)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CNC(C)C1CCC(N)C(O1)OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | CNC(C)C1CCC(N)C(O1)OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C2=N[N]1C(=CC=NC1=C2C#N)C3=CC(=CC=C3)N(C(C)=O)CC
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C2=N[N]1C(=CC=NC1=C2C#N)C3=CC(=CC=C3)N(C(C)=O)CC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [Na+].Cc1sc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C([O-])=O)nn1
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | [Na+].Cc1sc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C([O-])=O)nn1 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@@H]3(CN(CCC=C(C1=C(C=CS1)C)C2=C(C=CS2)C)CCC3)C(O)=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@@H]3(CN(CCC=C(C1=C(C=CS1)C)C2=C(C=CS2)C)CCC3)C(O)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@@]45(C1=C(C=CC(=C1)OC(N3CC2=CC=CC=C2CC3)=O)N([C@H]4N(C)CC5)C)C
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@@]45(C1=C(C=CC(=C1)OC(N3CC2=CC=CC=C2CC3)=O)N([C@H]4N(C)CC5)C)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@]235[C@H]([C@H](N(CC1CC1)CC2)CC4=C3C(=CC=C4)O)CCC(C5)=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@]235[C@H]([C@H](N(CC1CC1)CC2)CC4=C3C(=CC=C4)O)CCC(C5)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](C[N@@]2C[C@@H](CC2)O)C[N@](CC1)CCO)=O
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](C[N@@]2C[C@@H](CC2)O)C[N@](CC1)CCO)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=CC(=C4C2=C1CC5C3C2(C(C(=CC3)OC(C)=O)O4)CCN5C)OC
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=CC(=C4C2=C1CC5C3C2(C(C(=CC3)OC(C)=O)O4)CCN5C)OC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C2=C(C1=C(C=CC1)C=C2)OCC3CNCCO3
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C2=C(C1=C(C=CC1)C=C2)OCC3CNCCO3 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)[C@H](C2)C)C)[C@H](C3)O)CC4)C)(C(COC(C)=O)=O)OC(CCC)=O
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | [C@@]4([C@@]3([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)[C@H](C2)C)C)[C@H](C3)O)CC4)C)(C(COC(C)=O)=O)OC(CCC)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): [Cl-].CC(=O)[C@@]1(N)C[C@H](O[C@H]2C[C@H](O)[C@H](O)CO2)c3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c3C1.[H+]
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | [Cl-].CC(=O)[C@@]1(N)C[C@H](O[C@H]2C[C@H](O)[C@H](O)CO2)c3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c3C1.[H+] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): Clc1cc2c(Oc3ccccc3C3CN(CC32)C)cc1
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | Clc1cc2c(Oc3ccccc3C3CN(CC32)C)cc1 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=CC(=CC=C1C(C2=NCCN2)(C3=NC=CC=C3)O)Cl
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=CC(=CC=C1C(C2=NCCN2)(C3=NC=CC=C3)O)Cl | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): NC1=NC(=S)c2[nH]cnc2N1
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | NC1=NC(=S)c2[nH]cnc2N1 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=NC(=NC(=C1CN(C(=C(\CCOC(C)=O)SC(C)=O)/C)C=O)N)C
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=NC(=NC(=C1CN(C(=C(\CCOC(C)=O)SC(C)=O)/C)C=O)N)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@@H](O[C@@H](C)[C@]2(O)C=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N
Blood-Brain Barrier Penetration:
| <boolean>No</boolean> | CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@@H](O[C@@H](C)[C@]2(O)C=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule can penetrate the blood-brain barrier (Yes) or cannot penetrate (No). Consider all molecular properties provided, especially molecular weight, LogP, and the number of hydrogen bond donors and acceptors, as these are crucial for blood-brain barrier penetration.
Examples:
Target Molecule (Smiles): C1=CC(=CC=C1C(NC(C)C)=O)CNNC
Blood-Brain Barrier Penetration:
| <boolean>Yes</boolean> | C1=CC(=CC=C1C(NC(C)C)=O)CNNC | random | 0 | smiles |
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