{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_0.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C\\C1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\C1CC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C/C1CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C/C1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_2.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(C)c(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(OC)c(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(OC)c(NCC)c1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_3.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(CO)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(CO)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_4.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1ccccc1)c1nccc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ncc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1cc(ncc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_5.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCC(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CCC)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CC)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CC)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_6.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(C1)(C)[C@H]1C[C@@H]1c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_7.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(OC)cc1-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(OC)cc1-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_8.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)cccc4)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)cccc4)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_9.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_10.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: [nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_11.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1OC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_12.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)CNc1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)CNc1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_13.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OCCOC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_14.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_15.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@]1(c1cc(nc(c1)CC)CC)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)CC)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)CC)c1cc(ccc1)-c1cncnc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_16.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(COC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(COC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_17.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_18.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1c2c(nc1C)C(=[NH+][C@@]2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1c2c(nc1C)C(=NC2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c2c(nc1C)C(=NC2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_19.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)C12N=C(OC1CCCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_20.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc(ccn3)C)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc4occc4cn3)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ncccn3)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ncccn3)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_21.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_22.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cccc1-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_23.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_24.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1(F)F)N)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1(F)F)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_25.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)CC[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(CCc1cc(ccc1)-c1ccccc1)C)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(CCc1cc(ccc1)-c1ccccc1)C)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_26.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1N)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1N)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_27.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(c[n+]([O-])c1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(c[n+]([O-])c1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_28.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_29.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3cscc3-c3n[nH]cc3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3cscc3-c3n[nH]cc3)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_30.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_31.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_32.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(F)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_33.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_34.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_35.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOCOC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)[C@H]1CCOC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_36.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2OC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_37.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_38.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_39.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_40.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(nc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(nc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_41.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_42.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1OCC\\C=C(\\F)/F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1OCC\\C=C(\\F)/F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_43.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_44.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: o1ccc(C)c1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2cc(ccc2OC1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2cc(ccc2OC1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_45.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_46.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_47.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_48.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)C#N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2c(cc(cc2)C#N)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)CN(S(=O)(=O)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)CN(S(=O)(=O)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_49.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_50.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cnccc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_51.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_52.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1CCC)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_53.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CC#N)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CC#N)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_54.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\\C=C\\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\\C=C\\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_55.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(N3CCCCC3)cc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)C2CCCCC2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2c(cc(cc2)C2CCCCC2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_56.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccc(Oc2ccc(cc2)C(=O)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1)C(=O)Nc1ccc(cc1)-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_57.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_58.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1c(ccc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_59.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(F)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_60.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_61.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CC#N)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1cc(ccc1)CC#N)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_62.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)COCC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)COCC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_63.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FCC([NH2+]CC(O)C1NC(=O)c2cc(cc(NCCCCOc3cc(C1)ccc3)c2)COC)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FCC([NH2+]CC(O)C1NC(=O)c2cc(cc(NCCCCOc3cc(C1)ccc3)c2)COC)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_64.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_65.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2F)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2F)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_66.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_67.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCC1CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(CC2CCC(CC2)C(=O)[O-])C(=NC1(C1CCCCC1)c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(CC2CCC(CC2)C(=O)[O-])C(=NC1(C1CCCCC1)c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_68.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@]1(c1cc(nc(c1)CC)CC)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(C)C)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_69.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_70.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCC(OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)CC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C1[NH2+]CC2(C1)c1c(NC2=O)cccc1)C1CCN(CC1)C(=O)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1)C1(CCCCC1)C#N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1)C1(CCCCC1)C#N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_71.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc([N+](=O)[O-])cc1CC(c1ccc(OC)cc1)c1nc([nH]c1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(nc1N)C(Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_72.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(-c2cc(ccc2)C2(N=C(OC2)N)c2ccc(OC)cc2)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(-c2cc(ccc2)C2(N=C(OC2)N)c2ccc(OC)cc2)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_73.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(C)c1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(C)c1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_74.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CC)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CCC)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CCC)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_75.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_76.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_77.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_78.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_79.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCCCCC(=O)[O-])C(=NC1(C1CCCCC1)c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(C1CCCCC1)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@]1(C1CCCCC1)c1cc(NC(=O)COC)ccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=N[C@]1(C1CCCCC1)c1cc(NC(=O)COC)ccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_80.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2COCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_81.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1c(cc(cc1C)[C@@]1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_82.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCOC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCOC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_83.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_84.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(O)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(O)CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_85.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccc(C2(N=C(N)N(C)C2=O)c2cc(ccc2)-c2cncnc2)c1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1ccc(C2(N=C(N)N(C)C2=O)c2cc(ccc2)-c2cncnc2)c1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_86.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O[C@@H](COCC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O[C@@H](COCC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_87.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_88.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(F)(F)F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(F)(F)F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_89.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C3=NOC(=O)[N-]3)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C3=NOC(=O)[N-]3)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_90.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cc(ccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cc(ccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_91.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1ccccc1)c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC1(c1ccccc1)c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_92.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C([O-])C(NC1=NC(Cc2c1ccc(c2)C)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C([O-])C(NC1=NC(Cc2c1cccc2)(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C([O-])C(NC1=NC(Cc2c1cccc2)(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_93.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_94.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(C(CCC)CCC)C[C@@H](NC(OCc1ccccc1)=O)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(C(CCC)CCC)C[C@@H](NC(OCc1ccccc1)=O)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_95.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_96.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NC(=O)C)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NC(=O)C)CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_97.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1OCC\\C=C(\\F)/F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1OCC\\C=C(\\F)/F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_98.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_99.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1ccc(cc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1ccc(cc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_100.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1)C1CCCC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1)C1CCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_101.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)CCCC)cccc2)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_102.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_103.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCc2nc(ncc2C1)N)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCc2nc(ncc2C1)C)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@]1(CCc2n[nH]cc2C1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@]1(CCc2n[nH]cc2C1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_104.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ccncc1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ncccn1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1cccnc1)c1cc(F)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1cccnc1)c1cc(F)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_105.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)[C@]1([NH+]=C(N)c2c1cccc2F)c1cc(ncc1)C(F)(F)F\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c2c(ccc1)C([NH+]=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c2c(ccc1)C([NH+]=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_106.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3C3CC3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3cscc3CCC3CC3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3cscc3CCC3CC3)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_107.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)[C@@]12N=C(O[C@@H]1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(cnc1)-c1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cnc1)-c1cc(ccc1)C12N=C(OC1COCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_108.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)c(NCCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)c(NCCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_109.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)CCO)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)CCO)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_110.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): O1CCCCCCNC(=O)CC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCCCNC(=O)CC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_111.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_112.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)[C@@H]1C[C@@H]1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(=C1)C1CC1c1cc(ccc1)-c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(=C1)C1CC1c1cc(ccc1)-c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_113.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CO)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CO)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_114.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_115.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(N(C)C1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N(C)C1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_116.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3cscc3-c3occn3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3cscc3-c3occn3)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_117.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_118.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3C)CC2)c(OC(C)C)c(OC)c1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3)CC2)c(OC(C)C)c(OC)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3)CC2)c(OC(C)C)c(OC)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_119.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_120.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): O=C(N[C@H](C(=O)[O-])C)[C@@H]1CCC[C@H]1[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(N[C@H](C(=O)[O-])C)[C@@H]1CCC[C@H]1[C@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_121.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(F)c3NCC4(CCC(F)(F)CC4)c3c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(F)c3NCC4(CCC4)c3c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(F)c3NCC4(CCC4)c3c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_122.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_123.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_124.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)[C@]([NH3+])(Cc1ccccc1)C)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)CNC(=O)C([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)C([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)C([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_125.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_126.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(F)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_127.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_128.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C([O-])C(NC1=NC(Cc2c1ccc(c2)C)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C([O-])[C@@H](\\[NH+]=C\\1/NC(Cc2c/1cccc2)(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C([O-])[C@@H](\\[NH+]=C\\1/NC(Cc2c/1cccc2)(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_129.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(O)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_130.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCC1=O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCC1=O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_131.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_132.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ccc(OC)cc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ccc(OC)cc1-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_133.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)C)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_134.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)C1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCC1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)[C@H]1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)[C@H]1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_135.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_136.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_137.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_138.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_139.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_140.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(F)ccc1CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(F)ccc1CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_141.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_142.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCCC)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCCC)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_143.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCC1)C(C)(C)C1CC(CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(CCCC1)C(C)(C)[C@@H]1C[C@@H](CCC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(CCCC1)C(C)(C)[C@@H]1C[C@@H](CCC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_144.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N[C@@H]1C[C@H](C[C@@H](C1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)CC1CCCCC1)C(=O)N[C@H](C)C1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_145.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC(F)(F)F)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_146.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_147.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCC(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CCC)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CC(F)(F)C(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CC(F)(F)C(F)(F)F)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_148.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C[NH2+]C(C(O)C)C(=O)NCC(C)C)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C[NH2+][C@H](C(=O)NCC(C)C)C)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C[NH2+][C@H](C(=O)NCC(C)C)C)C(=O)N[C@H](C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_149.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(OC)cc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccncc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cc(Cl)c1)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(cc(Cl)c1)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_150.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(C)c1ccccc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_151.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_152.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: [nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_153.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_154.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_155.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC(O)(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C[NH2+][C@H](C(=O)NCC(C)C)C)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_156.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N/OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N/OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_157.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2CCCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2CCCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_158.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Nc1cc(Nc2ncnc(c2)-c2ccccc2)ccc1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1scc(-c2ccc(OCCC)cc2)c1CC(=O)NC(=[NH2+])N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1scc(-c2ccc(OCCC)cc2)c1CC(=O)NC(=[NH2+])N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_159.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cn1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cc1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cc1)C([NH3+])(Cc1ccccc1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_160.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_161.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cccc(-c2cc3c(Oc4c(cc(OC)cc4)C34N=C(OC4)N)cc2)c1F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cccc(-c2cc3c(Oc4c(cc(OC)cc4)C34N=C(OC4)N)cc2)c1F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_162.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)c1ccccc1)C(=O)NCc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)C)C(=O)NCc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)C)C(=O)NCc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_163.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2n(cc(c2c1)CC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2occ(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2occ(c2c1)CC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_164.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(ccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCC(C)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Brc1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_165.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_166.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_167.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_168.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cnc(nc1)C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cnc(nc1)C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_169.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CC1)C(=O)NC([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_170.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OCCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OCCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_171.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): OC(C(NC(=O)c1cc(N(C(=O)C)c2ccccc2)ccc1)Cc1ccccc1)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)c1cc(N(C(=O)C)c2ccccc2)ccc1)Cc1ccccc1)C[NH2+]C(C(=O)NC1CCCCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_172.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_173.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_174.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)CC(Cc2cc(OC(CO)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_175.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1)C(=O)Nc1ccc(cc1)-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccc(Oc2ccc(cc2)C(=O)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccc(Oc2ccc(cc2)C(=O)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_176.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1CCC)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_177.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](CCC(=O)N)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(OC)=O)C)C)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](CCC(=O)N)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(OC)=O)C)C)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_178.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_179.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2ncc(cc2[C@@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)[C@H](OC)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_180.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): [NH+]=1[C@](N=C(C)C=1N)(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "[NH+]=1[C@](N=C(C)C=1N)(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_181.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)CCOc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)CCOc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_182.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(CC)c1cc(cc(N(S(=O)(=O)C)c2ccccc2)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(CC)c1cc(cc(N(S(=O)(=O)C)c2ccccc2)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_183.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCOC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCOC1)c1cc(-n2nccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_184.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncc(cc1)C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)c2cccnc2)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)c2cccnc2)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_185.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cccnc1)c1ccncc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cc(nc(c1)CC)CC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_186.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2OC)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2OC)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_187.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](CC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](CC)C(C(=O)NOCc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_188.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(OCC)c(OCC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(OCC)c(OCC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_189.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc([nH]n1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1c(nnc1C([NH3+])(Cc1ccccc1)C)-c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c(nnc1C([NH3+])(Cc1ccccc1)C)-c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_190.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1c(cccc1OC)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(OC)cc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(OC)cc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_191.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_192.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_193.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C(=O)CC)[C@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C(=O)CC)[C@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_194.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CC)c(NC(=O)C)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CC)c(NC(=O)C)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_195.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CC)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(=O)N[C@H](C)c3ccccc3)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(=O)N[C@H](C)c3ccccc3)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_196.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_197.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cccnc2)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2ccccc2)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2cccnc2)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2cccnc2)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_198.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CCO)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CCO)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_199.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2cc(OCC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)-c2cc(OCC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_200.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)CCc1nc(N)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): [nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "[nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_201.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2=O)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_202.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2cccnc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2c(cc(cc2)-c2cccnc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_203.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCCC)ccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCCC)ccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_204.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCCCO\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCCCO", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_205.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(cc1)C1(CCCC1)c1nc(sc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(nc1N)C1(CCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1N)C1(CCCC1)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1N)C1(CCCC1)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_206.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_207.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_208.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CC)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CCC)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_209.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): IC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "IC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_210.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)cc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)cc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_211.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C3=NOC(=O)[N-]3)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C3=NOC(=O)[N-]3)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_212.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OC(F)(F)Oc2cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OC(F)(F)Oc2cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_213.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_214.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_215.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(-n2nccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_216.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_217.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_218.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(N[C@@]1(CC(C)C)C)=N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)CN1C(=O)[C@](NC1=N)(CC(C)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(ccc1)CN1C(=O)C(NC1=N)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(ccc1)CN1C(=O)C(NC1=N)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_219.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C([O-])C(NC1=NC(Cc2c1ccc(c2)C)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C([O-])[C@@H](\\[NH+]=C\\1/NC(Cc2c/1cccc2)(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C([O-])[C@@H](\\[NH+]=C\\1/NC(Cc2c/1cccc2)(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_220.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ncccc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nnccc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nnccc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_221.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_222.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1OCCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1OCCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_223.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCc1cccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cncc1CNC(=O)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCc1ccccc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCc1ccccc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_224.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_225.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1ccc(cc1C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1ccc(cc1C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_226.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_227.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NC)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_228.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C(C(=O)NOCc2ccccc2)=C1C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C(C(=O)NOCc2ccccc2)=C1C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_229.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\OC)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\OC)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_230.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1ccccc1)c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC1(c1ccccc1)c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_231.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)C(O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_232.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1nc(cnc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1nc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1nc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_233.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_234.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C([NH3+])C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C([NH3+])C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_235.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_236.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCC1CC1)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NCC1CCCCC1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NC1C2CC3CC1CC(C2)C3)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NC1C2CC3CC1CC(C2)C3)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_237.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)COCC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)COCC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_238.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)CCc1nc(N)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): [nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "[nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_239.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_240.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_241.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(CF)(CF)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(CF)(CF)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_242.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CCC1CCCCC1)=N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(Cc2ccc(cc2)CN2C[C@@H](NC2=O)CCC)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CC1CCCCC1)=N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CC1CCCCC1)=N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_243.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C#N)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C#N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_244.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC(F)(F)F)cc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC(F)(F)F)cc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_245.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_246.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_247.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC1CC1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC1CC1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_248.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C#CCOC)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C#CCOC)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_249.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC12CC(Cc1c2cc(cc1)-c1cc(ccc1)C#N)(C)C)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC12CC(Cc1c2cc(cc1)-c1cc(ccc1)C#N)(C)C)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_250.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)[C@@]12N=C(O[C@@H]1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(cnc1)-c1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cnc1)-c1cc(ccc1)C12N=C(OC1COCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_251.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_252.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1ccccc1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_253.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1CCC(N=C1N)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_254.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(-n2nccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_255.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2COCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_256.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1)[C@@H]1C[NH2+]C[C@]12CCCc1c2cccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C(N1CCC(CC1)c1ccccc1)C1C[NH2+]CC12CCCc1c2cccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc2c(cc1)C1(CCC2)C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Brc1cc2c(cc1)C1(CCC2)C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_257.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OC(F)(F)Oc2cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_258.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_259.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_260.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC1CCCCC1)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C1CCCC1)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C1CCCC1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_261.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_262.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(NC(=O)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(NC(=O)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_263.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_264.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_265.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)(F)F)=C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)(F)F)=C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_266.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(OC)c1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(OC)c1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_267.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(N)c1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(N)c1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_268.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_269.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_270.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(C)c(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(OC)c(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(NCC)c1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_271.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: FC(F)(F)c1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CN(C)C1=O)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_272.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1OCCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1OCCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_273.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_274.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(SC3)N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(OC1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(OC3)N)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(OC3)N)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_275.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_276.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(CCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_277.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC(C)C)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC(C)C)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_278.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCC(C)C)ccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCC(C)C)ccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_279.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)CC(Cc2cc(OC(CO)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_280.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC(F)(F)F)cc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC(F)(F)F)cc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_281.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_282.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_283.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1onc(c1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1onc(c1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1onc(c1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_284.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1cc(cnc1)-c1cc(ccc1)C1(N=C(C(C)C)C(=N1)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1cc(cnc1)-c1cc(ccc1)C1(N=C(C(C)C)C(=N1)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_285.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_286.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Cc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_287.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc(ccc1)[C@@]1(OCCC(=[NH+]1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(ccc1)-c1cc(ccc1)C1(OCCC(=N1)N)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(ccc1)-c1cc(ccc1)C1(OCCC(=N1)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_288.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_289.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_290.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(C(CCC)CCC)C[C@@H](NC(OCc1ccccc1)=O)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(CCCCC)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)CC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(CCCCC)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)CC)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_291.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_292.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc(on1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_293.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)C1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=[NH2+])NC1(c1cc(ccc1)-c1cccnc1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=[NH2+])NC1(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=[NH2+])NC1(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_294.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(N(O)C(=O)C)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(N(O)C(=O)C)CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_295.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_296.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCCC1C2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C23N=C(N)COCC2C3)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCC1C2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCC1C2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_297.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: FC(F)(F)c1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CN(C)C1=O)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_298.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_299.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nnn(c1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nn(cc1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cn(nc1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cn(nc1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_300.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(CCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_301.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_302.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_303.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: o1ccc(C)c1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: o1cccc1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_304.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=[NH2+])NC1(c1cc(ccc1)-c1cccnc1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=[NH2+])NC1(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_305.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2F)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_306.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_307.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cncnc2)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(Oc2cncnc2)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Nc2cncnc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Nc2cncnc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_308.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(C1)(C)C1CC1c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(C1)(C)[C@H]1C[C@@H]1c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(N[C@](C1)(C)[C@@H]1C[C@H]1c1ccccc1)=N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(N[C@](C1)(C)[C@@H]1C[C@H]1c1ccccc1)=N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_309.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C=CN=3)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C=CN=3)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_310.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_311.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](C)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(OC(C)(C)C)=O)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(OC(C)(C)C)=O)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_312.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_313.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(F)ccc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(F)ccc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_314.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_315.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_316.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(CC)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(CC)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_317.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CF)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CF)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_318.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_319.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_320.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC#N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC#N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_321.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC(C)(C)C)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_322.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_323.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCC(F)(F)F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCC(F)(F)F)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_324.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1OCCCC)CSC(=[NH2+])N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Oc1ccc(cc1)CC[NH3+]\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Oc1ccc(cc1)CC[NH3+]", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_325.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(ccc1)C#N)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(ccc1)C#N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_326.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_327.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)CCc1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)CCc1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_328.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_329.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)/C(=N\\OCCC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_330.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(cnc1)C#CC)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(cnc1)C#N)c1cc(ncc1)C(F)(F)F\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(F)cnc1)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(F)cnc1)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_331.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_332.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_333.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@]1(c1cc(nc(c1)CC)CC)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(C)C)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_334.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_335.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_336.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(n1cc(c2c1cccc2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1)CCCC\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(n1cc(c2c1cccc2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1)CCCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_337.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_338.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1CC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1CC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_339.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(C)C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_340.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(c1cc2CN(CCC(=O)N(C)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C1CCCCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(c1cc2CN(C(CCC(=O)N(C)C3CCCCC3)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(c1cc2CN(C(CCC(=O)N(C)C3CCCCC3)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_341.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FCCC[C@@H](F)c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FCCC[C@@H](F)c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_342.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_343.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C)C)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C)C)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_344.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1ccccc1)c1nc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1ccccc1)c1nc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_345.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc(OC)c(OC)cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc(OC)c(OC)cc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_346.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\\C=C\\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_347.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(N(C)C1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N(C)C1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_348.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_349.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1ccccc1OC)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1ccccc1OC)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_350.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_351.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_352.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O[C@@H](COCC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O[C@@H](COCC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_353.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_354.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: [nH]1c2cc(ccc2cc1)-c1cc(ccc1)CNc1cccnc1N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(Cc1ncccc1)c1ccc(cc1CNc1cccnc1N)-c1cc2[nH]ccc2cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(Cc1ncccc1)c1ccc(cc1CNc1cccnc1N)-c1cc2[nH]ccc2cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_355.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(F)(F)F)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(F)(F)F)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_356.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_357.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)/C(=N/OCC(C)C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)/C(=N/OCC(C)C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_358.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(OC)cc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c(cccc1OC)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c(cccc1OC)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_359.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N[C@H]([C@H](O)C[NH2+][C@H]1CC(Cc2nn(cc12)CC(C)(C)C)(C)C)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1c2OC(C[C@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc3ccccc3)c2cc1CC(C)(C)C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1c2OC(C[C@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc3ccccc3)c2cc1CC(C)(C)C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_360.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: IC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_361.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_362.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](C)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_363.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(C(C)C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(C(C)C)C(=N1)N)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_364.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_365.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_366.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2c(cc(cc2)C#N)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Brc1cc2n(ccc2cc1)CC(=O)NC(=[NH2+])NCc1cc(Cl)c(NC(=O)C)c(Cl)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)C#N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)C#N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_367.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)C)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)C)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_368.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_369.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1N1S(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)C1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ncccn1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1occn1)c1cc(F)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1occn1)c1cc(F)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_370.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(OC1)N)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1CC(N=C1N)(C)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1CC(N=C1N)(C)c1cc(NC(=O)c2ncccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_371.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2cccnc2)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C(F)(F)F)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cccnc2)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cccnc2)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_372.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(Cc3cc(ccc3)C)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(Cc3cc(ccc3)C)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_373.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_374.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_375.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_376.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1occn1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1ccnc1N1S(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)C1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ncccn1)c1cc(F)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ncccn1)c1cc(F)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_377.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_378.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]12CC(Cc1c2cc(cc1)-c1cncnc1)(C)C)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC1(F)c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_379.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc2c(cc1)C1(CCC2)C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(N1CCC(CC1)c1ccccc1)C1C[NH2+]CC12CCCc1c2cccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1)[C@@H]1C[NH2+]C[C@]12CCCc1c2cccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1)[C@@H]1C[NH2+]C[C@]12CCCc1c2cccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_380.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_381.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C(F)(F)F)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2ccc(F)cc2)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C#N)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C#N)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_382.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCCc3cc(C2)ccc3)CC12CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)C=3C=CC(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCc3cc(C2)ccc3)CC12CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCc3cc(C2)ccc3)CC12CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_383.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(OCc1ccccc1)=O)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(OCc1ccccc1)=O)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_384.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1)C(=O)Nc1ccc(cc1)-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccc(Oc2ccc(cc2)C(=O)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccc(Oc2ccc(cc2)C(=O)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_385.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc(on1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_386.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1c(cc(cc1C)[C@@]1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_387.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1CC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_388.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C[NH2+][C@H](C(=O)NCC(C)C)C)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C[NH2+]C(C(O)C)C(=O)NCC(C)C)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_389.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_390.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)[C@H]1CCOC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(ccc1)[C@H]1CCOC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(ccc1)[C@H]1CCOC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_391.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1CCC(N=C1N)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Oc1ccc(cc1C1CCCCC1)CC[NH3+]\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1CC[C@@](N=C1N)(C)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1CC[C@@](N=C1N)(C)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_392.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1(OCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCOC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCOC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_393.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_394.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1occ(n1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_395.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc(OC)c(OC)cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc(OC)c(OC)cc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_396.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCOC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCOC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_397.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_398.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C1CCCCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C1CCCCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_399.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=[NH2+])NC1(c1cc(ccc1)-c1cccnc1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=[NH2+])NC1(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_400.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2nn(cc2)C(F)F)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cn(nc1C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cn(nc1C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1)C(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cn(nc1C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1)C(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_401.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_402.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(Cc1ccccc1)C)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(Cc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(Cc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_403.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1CCC(N=C1N)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_404.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C#N)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C#N)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_405.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_406.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_407.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C([NH3+])C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C([NH3+])C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_408.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)CCCO)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_409.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_410.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_411.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)C(O)C1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)CC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C1[NH2+]Cc2c(C1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_412.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_413.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccccc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_414.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)N(C)C1CCCCC1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)NCCC1CC[NH2+]C1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)CCCC(=O)NC1CC[NH+](CC1)C)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)CCCC(=O)NC1CC[NH+](CC1)C)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_415.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(C)C1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(C)C1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_416.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)C(O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_417.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1(OCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCOC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCOC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_418.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_419.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1c2c([nH]c1)cccc2)Cc1c2c([nH]c1)cccc2)CO)CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)CC(C(=O)NC(C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1c2c([nH]c1)cccc2)Cc1c2c([nH]c1)cccc2)CO)CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)CC(C(=O)NC(C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_420.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc(on1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc([nH]n1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc([nH]n1)C([NH3+])(Cc1ccccc1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_421.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)C)C(=O)NCc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)c1ccccc1)C(=O)NCc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)c1ccccc1)C(=O)NCc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_422.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_423.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC([NH3+])C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC([NH3+])C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_424.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCCC2)N)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_425.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC(F)(F)F)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_426.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_427.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_428.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCCCC1)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_429.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1)C1(CCCCC1)C#N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C1[NH2+]CC2(C1)c1c(NC2=O)cccc1)C1CCN(CC1)C(=O)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CCC(OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CCC(OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_430.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc(on1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1onc(n1)C([NH3+])(Cc1ccccc1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_431.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(CF)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_432.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ncccn3)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc4occc4cn3)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc(ccn3)C)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc(ccn3)C)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_433.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1ccccc1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccc(F)cc1)C)COCc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccc(F)cc1)C)COCc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_434.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)c2cccnc2)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncc(cc1)C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_435.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_436.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1ccccc1C#N)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1ccccc1C#N)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_437.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_438.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_439.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCOC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCOC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_440.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)CCc1nc(N)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): [nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "[nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_441.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(=O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_442.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1nc(N(CC2CC2C)C)cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2c3n(cc(c3c(cc2)C(=O)NC(C(O)CC(OC)COCc2ccc(OC)cc2)COc2cc(F)cc(F)c2)CC)CC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(c2c3n(cc(c3c(cc2)C(=O)NC(C(O)CC(OC)COCc2ccc(OC)cc2)COc2cc(F)cc(F)c2)CC)CC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_443.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OCCOC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_444.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC(O)(Cc1ccccc1)C[NH3+])=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC([NH2+]C)(Cc1ccccc1)CO)=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_445.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_446.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_447.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCCOC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCCOC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_448.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_449.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(Cl)c1NC(=O)C)CNC(NC(=O)Cn1c2cc(ccc2cc1)C#N)=N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)C#N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cc(Cl)c1NC(=O)C)C\\N=C(\\NC(=O)Cn1c2c(cccc2)cc1)/N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cc(Cl)c1NC(=O)C)C\\N=C(\\NC(=O)Cn1c2c(cccc2)cc1)/N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_450.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(NC(=O)CC)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_451.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FCCCC(=O)c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FCCCC(=O)c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_452.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(Oc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)(=O)(=O)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(Oc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)(=O)(=O)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_453.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)Oc1ccc(cc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)Oc1ccc(cc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_454.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)N(Cc1cc(F)ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1cc(F)ccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1cc(F)ccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1cc(F)ccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_455.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_456.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc([nH]c2cc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc([nH]c2cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_457.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_458.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ocnn3)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: [nH]1nnnc1C(NC1=NC(Cc2c1cccc2)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)c3oc(nn3)C)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)c3oc(nn3)C)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_459.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(ccc1)CO)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(ccc1)CO)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_460.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccc(cc1)C#N)=O\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccccc1)=O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccccc1)=O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_461.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cccnc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_462.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1c2c(cc(cc2)-c2cc(ccc2)C#N)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1c2c(cc(cc2)-c2cc(ccc2)C#N)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_463.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_464.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_465.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1nc(OC)ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1C#N)-c1cc(ccc1)C#N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1OC)-c1cc(ccc1)C#N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1OC)-c1cc(ccc1)C#N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_466.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)cccc4)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_467.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_468.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_469.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: [nH]1c2cc(ccc2cc1)CCc1nc(N)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_470.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1OC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1OC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_471.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C)COC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)N[C@@H](Cc2cc1ccc2)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C)COC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C)COC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_472.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCOc2c1cc(cc2)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCc2cc(ccc12)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1c2cc(ccc2OC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2cc(ccc2OC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_473.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)[C@@H]2N1CCCC2)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)C2N1CCCC2)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)C2N1CCCC2)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_474.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OC(F)(F)Oc2cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_475.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCCO\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCCO", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_476.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(ccc1)C#N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_477.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(=C1)CCc1cc(ccc1)-c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)CCc1nc(N)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)CCc1nc(N)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_478.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c(cccc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1c(cccc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_479.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NC(=O)C)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NC(=O)C)CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_480.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_481.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)C1CC1c1cc(ccc1)-c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)[C@@H]1C[C@@H]1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)[C@@H]1C[C@@H]1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_482.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_483.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2F)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2F)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_484.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCN(CC1)C(=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCC(CC1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CCC(CC1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_485.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cc(F)cc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_486.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC1CC1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC1CC1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_487.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_488.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C1CCCC1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_489.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)C(O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_490.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn(nc3)C)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn(nc3)C)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_491.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1OC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_492.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_493.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CCC1CCCCC1)=N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CC1CCCCC1)=N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(Cc2ccc(cc2)CN2C[C@@H](NC2=O)CCC)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(Cc2ccc(cc2)CN2C[C@@H](NC2=O)CCC)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_494.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ncccn3)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc(ccn3)C)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc4occc4cn3)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)c3nc4occc4cn3)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_495.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCC1CC1)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)N(CC1CCCCC1)C)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)CCCC(=O)NCC1CC1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)CCCC(=O)NCC1CC1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_496.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_497.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_498.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_499.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1cc(F)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccc(F)cc1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccccc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccccc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_500.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_501.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_502.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_503.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_504.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccncc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_505.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1scc(-c2ccc(OCCC)cc2)c1CC(=O)NC(=[NH2+])N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(Nc1cc(Nc2ncnc(c2)-c2ccccc2)ccc1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(Nc1cc(Nc2ncnc(c2)-c2ccccc2)ccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_506.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_507.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_508.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(CO)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(CO)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_509.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCC2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOC2=O)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOC2=O)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_510.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCC(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCC(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_511.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3)CC2)c(OC(C)C)c(OC)c1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3C)CC2)c(OC(C)C)c(OC)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3C)CC2)c(OC(C)C)c(OC)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_512.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCCC2)N)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_513.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)[C@H]1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCC1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)C1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)C1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_514.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@]1(c1cc(nc(c1)CC)CC)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)C)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)C)c1cc(ccc1)-c1cncnc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_515.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(OC)cc1-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(OC)cc1-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_516.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)-c1cc2c(nc(N)cc2)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)-c1cc2c(nc(N)cc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_517.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1(F)F)N)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1(F)F)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_518.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_519.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1CC)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1CC)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_520.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ncccc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nccnc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nccnc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_521.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_522.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(N2CCCC2=O)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C1CCCC1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C1CCCC1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_523.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)[C@H]1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCC1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)C1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)C1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_524.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_525.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)/C(=C/C)/C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)/C(=C/C)/C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_526.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_527.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC(N=C1N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(N=C1N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_528.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): [NH+]=1[C@](N=C(c2ccccc2)C=1N)(C)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "[NH+]=1[C@](N=C(c2ccccc2)C=1N)(C)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_529.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OCC(C)C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OCC(C)C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_530.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C#CCF)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C#CCF)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_531.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(CCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_532.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_533.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C=1[C@@H](C)C(=CN(CC(OC(C)C)=O)C=1C)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CCCOC(=O)C)C=1C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)C=1[C@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CC(=O)N(C)C)C=1C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)C=1[C@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CC(=O)N(C)C)C=1C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_534.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_535.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(C1)(CCc1cc(ccc1)-c1ccccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)CC[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)CC[C@]1(N=C(N)N(C)C(=O)C1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_536.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): OC(C(NC(=O)C1CC(CCC1)C(NC(=O)CC)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)C1CC(CCC1)C(NC(=O)CC)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_537.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_538.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_539.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2CCCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2CCCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_540.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(C1)(CCc1cc(ccc1)-c1ccccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)CC[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)CC[C@]1(N=C(N)N(C)C(=O)C1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_541.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_542.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1OC)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_543.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCC(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CCC)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCF)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCF)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_544.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ncccc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nccnc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2nccnc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_545.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1)C1CCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_546.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(ccc1)CO)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(ccc1)CO)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_547.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_548.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_549.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1OCCCC)CSC(=[NH2+])N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Oc1ccc(cc1)CC([NH3+])C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Oc1ccc(cc1)CC([NH3+])C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_550.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_551.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OC(F)(F)Oc2cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_552.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1ccccc1)c1nccc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ncccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ncccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_553.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1ccccc1)c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC1(c1ccccc1)c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_554.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(OC1)N)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1CC(N=C1N)(C)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1CC(N=C1N)(C)c1cc(NC(=O)c2ncccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_555.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccncc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccncc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_556.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)C1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_557.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cccnc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cccnc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_558.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_559.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1C[C@H](NC(=O)c2cc(cc(c2)[C@@H](O)[NH2+][C@H](C\\C=C\\C1)c1ccccc1)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1C[C@H](NC(=O)c2cc(cc(c2)[C@@H](O)[NH2+][C@H](C\\C=C\\C1)c1ccccc1)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_560.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1O)C[C@@H]1CS(=O)(=O)C[C@H]([NH2+]Cc2cc(ccc2)C2CC2)[C@H]1O\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc3c(COC3(C)C)cc2)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc3c(COC3(C)C)cc2)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_561.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_562.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1cc(F)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccccc1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1cc(F)ccc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1cc(F)ccc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_563.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_564.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(F)cc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(F)cc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_565.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_566.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N[C@@H]1C[C@H](C[C@@H](C1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)CC1CCCCC1)C(=O)N[C@H](C)C1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_567.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)-c1cc2c(nc(N)cc2)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)-c1cc2c(nc(N)cc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_568.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@@H](C1)C\\C=C\\C=C/C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)C(O)C1[NH2+]CC[NH2+]C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@H](OCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@H](OCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_569.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_570.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1ccccc1)c1ccncc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC1(c1ccccc1)c1ccncc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_571.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_572.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cn1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cc1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1oc(cc1)C([NH3+])(Cc1ccccc1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_573.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC(O)(Cc1ccccc1)C[NH3+])=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC([NH2+]C)(Cc1ccccc1)CO)=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC([NH2+]C)(Cc1ccccc1)CO)=O)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_574.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)/C(=N\\OCCC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_575.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_576.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cc(F)cc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccncc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_577.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): [NH+]=1[C@](N=C(c2ccccc2)C=1N)(C)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "[NH+]=1[C@](N=C(c2ccccc2)C=1N)(C)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_578.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OCCOC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)C[C@@H](C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)C[C@@H](C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_579.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)C([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)CNC(=O)C([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)[C@]([NH3+])(Cc1ccccc1)C)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)[C@]([NH3+])(Cc1ccccc1)C)C(=O)N[C@H](C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_580.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1c2c(nc1C)C(=NC2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1c2c(nc1C)C(=[NH+][C@@]2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c2c(nc1C)C(=[NH+][C@@]2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_581.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC(C)(C)C)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_582.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1ccccc1OC)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1ccccc1OC)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_583.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OC[C@H]1F)N)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OC[C@H]1F)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_584.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): IC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "IC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_585.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1OC)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1c2c(ccc1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1c2c(ccc1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_586.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OCCOC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_587.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc(ccc1)C1(OCCC(=N1)N)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(ccc1)-c1cc(ccc1)[C@@]1(OCCC(=[NH+]1)N)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(ccc1)-c1cc(ccc1)[C@@]1(OCCC(=[NH+]1)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_588.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Brc1cc(cc(F)c1N)C[C@@H]1CS(=O)(=O)C[C@H]([NH2+]Cc2cc(ccc2)C(F)(F)C)[C@H]1O\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_589.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_590.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_591.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(n2nc(cc12)C)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(n2nc(cc12)C)N)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_592.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1cc(F)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccccc1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1cc(F)ccc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1cc(F)ccc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_593.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): OC(C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)C)CC(C)C)CC(C(=O)NCCCC)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)C)CC(C)C)CC(C(=O)NCCCC)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_594.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(F)cc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1ccccc1)c1ccncc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1ccccc1)c1ccncc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_595.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)-c1cc2c(nc(N)cc2)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)-c1cc2c(nc(N)cc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_596.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)CF\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)CF", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_597.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)C(=O)N(CCC)CCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)C(=O)N(CCC)CCC)cccc2)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_598.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1OC)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1c2c(ccc1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1c2c(ccc1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_599.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCCC1)C(C)(C)[C@@H]1C[C@@H](CCC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(CCC1)C(C)(C)C1CC(CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(CCC1)C(C)(C)C1CC(CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_600.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: IC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "ClC1=CN=C(NC1=O)C(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_601.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)[C@@H]1C[C@@H]1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_602.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1CCC)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_603.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccc(cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccc(cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_604.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCC1C2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(SC3)N)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(SC3)N)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_605.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_606.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_607.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c(cccc1OC)-c1cc(ccc1)[C@]1([NH+]=C(N2CC(F)(F)CN=C12)N)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c(cccc1OC)-c1cc(ccc1)[C@]1([NH+]=C(N2CC(F)(F)CN=C12)N)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_608.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(OC(C)C)ccc2)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(OC(C)C)ccc2)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_609.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(-n2nccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_610.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_611.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)CCc1cccnc1N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(cnc1)-c1cc(ccc1)CNc1cccnc1N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1cccc(NCc2ccccc2)c1N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1cccc(NCc2ccccc2)c1N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_612.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_613.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_614.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)C12N=C(OC1CCCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_615.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2ccc(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_616.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_617.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCCCC1c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCOCC1c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_618.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2C3CC(CC3)C2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_619.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1ccsc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1ccsc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_620.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_621.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_622.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_623.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)C(=O)N(CC)CC)cccc2)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2c(n(c1)C(=O)N(CC)CC)cccc2)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_624.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)Oc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)Oc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_625.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(c1)C)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(c1)C)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_626.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCC(CC1)CNC(=O)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC[C@@H](NC(=O)[C@@H](Cc2cc3cc(ccc3nc2N)-c2ccccc2C)C)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CC[C@@H](NC(=O)[C@@H](Cc2cc3cc(ccc3nc2N)-c2ccccc2C)C)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_627.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2ncc(cc2[C@@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)[C@H](OC)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_628.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@]1(c1cc(nc(c1)CC)CC)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)CC)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)CC)c1cc(ccc1)-c1cncnc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=N[C@]1(c1cc(nc(c1)C)CC)c1cc(ccc1)-c1cncnc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_629.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCC[C@@H]1COCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCCC[C@@H]1COCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCC[C@@H]1COC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCC[C@@H]1COC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_630.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_631.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_632.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_633.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2n(cc(c2c1)CC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2occ(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2occ(c2c1)CC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_634.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FCCCCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FCCCCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_635.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)[C@]1(N=C(N)N(C)C(=O)C1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_636.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CC[C@@H](NC(=O)[C@@H](Cc2cc3cc(ccc3nc2N)-c2ccccc2C)C)CC1(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCC(CC1)CNC(=O)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCC(CC1)CNC(=O)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_637.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(COC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(COC)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_638.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_639.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_640.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): [NH+]=1[C@](N=C(C)C=1N)(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "[NH+]=1[C@](N=C(C)C=1N)(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_641.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CCO)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)CCO)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_642.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1ccccc1C#N)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1ccccc1C#N)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_643.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@@]1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@@]1(N=C(N)N(C)C1=O)c1cn(nc1)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_644.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_645.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ccncc1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ncccn1)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1cccnc1)c1cc(F)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1cccnc1)c1cc(F)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_646.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cccc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c1F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cccc(CC(NC(=O)COC)C(O)C[NH2+]C2CC3(Oc4ncc(cc24)CC(C)(C)C)CCC3)c1F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_647.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_648.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CCC(NC(=O)C(NC(=O)C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(CCC(NC(=O)C(NC(=O)C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_649.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCCCC1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCCCC1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_650.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCC(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_651.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc([N+](=O)[O-])cc1CC(c1ccc(OC)cc1)c1nc([nH]c1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(nc1N)C(Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_652.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CCCOC(C)(C)C)C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_653.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_654.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1(OCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1OCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_655.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(NC(C)C)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(NC(C)C)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_656.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nn(cc1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(nc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_657.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCCOC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\CCCOC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_658.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_659.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CCCC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CCCC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_660.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C3(CC2)CC3)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C3(CC2)CC3)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_661.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_662.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(COC)c1cc(ccc1)C(C)(C)C)COC\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(COC)c1cc(ccc1)C(C)(C)C)COC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_663.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(nc1)-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ccncc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ncccc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ncccc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_664.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_665.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cc(ccc2)C(F)(F)F)c(cc1)C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1cc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cc(ccc2)C(F)(F)F)c(cc1)C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_666.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CN(C)C1=O)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CN(C)C1=O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_667.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C=1[C@@H](C)C(=CN(CC(OC(C)C)=O)C=1C)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CC(=O)N(C(C)C)C)C=1C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CCCOC(=O)C)C=1C)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CCCOC(=O)C)C=1C)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_668.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_669.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_670.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCOCC1)Cc1ccccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_671.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C\\C1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\\C=C\\C1CC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C/C1CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)/C(/F)=C/C1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_672.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(OC3)C2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_673.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](C)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_674.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_675.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(F)cnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c2c(cc(F)c1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c2c(cc(F)c1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_676.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_677.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: [nH]1c2cc(ccc2cc1)-c1cc(ccc1)CNc1cccnc1N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(Cc1ncccc1)c1ccc(cc1CNc1cccnc1N)-c1cc2[nH]ccc2cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(Cc1ncccc1)c1ccc(cc1CNc1cccnc1N)-c1cc2[nH]ccc2cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_678.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(F)cc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_679.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(ccc1)CO)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)-c1cc(ccc1)CO)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_680.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1cc(F)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccccc1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccc(F)cc1)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ccc(F)cc1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_681.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(CCCCC)c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(CCCCC)c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_682.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1cc(ccc1)C[NH+]1CCC2(N(S(=O)(=O)NC2)c2cc(F)ccc2)CC1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1cc(ccc1)C[NH+]1CCC2(N(S(=O)(=O)NC2)c2cc(F)ccc2)CC1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_683.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)[C@H]1CCOC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(ccc1)[C@H]1CCOC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(ccc1)[C@H]1CCOC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_684.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](CC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_685.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCc2c1cc(OC)cc2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCc2c1cc(OC)cc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_686.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: o1ccc(C)c1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: o1cccc1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_687.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_688.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OCCOC)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_689.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cccc1-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_690.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(CCC)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(CCC)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_691.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1OC)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1OC)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_692.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCC)ccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OCC)ccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_693.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1OCCCC)CSC(=[NH2+])N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Oc1ccc(cc1)CC[NH3+]\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Oc1ccc(cc1)CC[NH3+]", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_694.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "[NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_695.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(Nc2ncccc2)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(Nc2cccnc2)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1ccnc1NC1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1NC1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_696.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_697.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_698.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(nc1)-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ccncc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ncccc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ncccc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_699.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(NC(=O)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(NC(=O)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_700.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(OC(C)C)ccc2)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2cc(OC(C)C)ccc2)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_701.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)-c2ncccc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1nc(cc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1nc(cc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_702.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)CCc1cc(ccc1)-c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(=C1)CCc1ccc(cc1)-c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_703.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_704.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1OCCCC)CSC(=[NH2+])N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)CC(C(=O)NC(C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_705.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(N3CCCCC3)cc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)C2CCCCC2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2c(cc(cc2)C2CCCCC2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_706.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_707.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_708.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC[NH2+]C1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_709.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_710.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_711.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cncnc1)[C@@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ccc(cc1-c1cncnc1)[C@@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_712.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\OCC(C)C)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\OCC(C)C)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_713.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccccc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_714.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_715.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_716.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1c(cccc1N)Cn1c(ccc1-c1ccccc1)-c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1c(cccc1N)Cn1c(ccc1-c1ccccc1)-c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_717.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\\C=C\\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_718.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1cc(ccc1)C[NH+]1CCC2(N(S(=O)(=O)NC2)c2cc(F)ccc2)CC1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1cc(ccc1)C[NH+]1CCC2(N(S(=O)(=O)NC2)c2cc(F)ccc2)CC1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_719.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_720.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CCCOC(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CCCOC(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_721.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C([NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(nc2)CC)c1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(nc2)CC)c1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_722.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCC1C2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C23N=C(N)COCC2C3)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCCC1C2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCCC1C2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_723.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]12CC(Cc1c2cc(cc1)-c1cncnc1)(C)C)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1c2c(cc(cc2)-c2cncnc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_724.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(O)C1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(=O)C)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(=O)N)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(=O)N)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_725.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C(=O)CC)[C@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C(=O)CC)[C@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_726.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(CC(F)(F)F)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(CC(F)(F)F)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_727.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(NC(=O)CC)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_728.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(NC(=O)CC)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_729.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2ccc(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_730.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_731.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cccnc1)c1ccncc1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cc(nc(c1)CC)CC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1nccnc1)c1ccncc1)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1nccnc1)c1ccncc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_732.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_733.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCC1CC1)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)N(CC1CCCCC1)C)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)CCCC(=O)NCC1CC1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)CCCC(=O)NCC1CC1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_734.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_735.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1O)C[C@@H]1CS(=O)(=O)C[C@H]([NH2+]Cc2cc(ccc2)C2CC2)[C@H]1O\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CC2CC2OC(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CC2CC2OC(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_736.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)c2cccnc2)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccccc1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_737.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1c(C)c(cc1CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c(C)c(cc1CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_738.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2COCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_739.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2CCCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2CCCCC2(N=C1N)c1cc(NC(=O)c2ncccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_740.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_741.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)CC1)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)C1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)[C@H](OC)C1)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)[C@H](OC)C1)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_742.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(cc1)CCC)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C[C@]2(N=C1N)c1cc(ccc1Oc1c2cc(OCC(C)C)cc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1C[C@]2(N=C1N)c1cc(ccc1Oc1c2cc(OCC(C)C)cc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_743.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1nc(OC)ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1C#N)-c1cc(ccc1)C#N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1OC)-c1cc(ccc1)C#N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1OC)-c1cc(ccc1)C#N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_744.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccc(cc1)C(F)(F)F)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccc(cc1)C(F)(F)F)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_745.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_746.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2nnn(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2ncn(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2ncn(c2c1)CC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_747.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(N3CCCCC3)cc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)C2CCCCC2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2c(cc(cc2)C2CCCCC2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_748.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_749.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)COC)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)COC)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_750.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\\C=C\\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\\C=C\\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_751.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Cc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_752.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N[C@@H](C[C@@H](CCCCCCCCC(=O)N(C)[C@H]1C)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N[C@@H](C[C@@H](CCCCCCCC(=O)N[C@H]1C)C)[C@@H](O)C[C@H](C(=O)NCCCC)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N[C@@H](C[C@@H](CCCCCCCC(=O)N[C@H]1C)C)[C@@H](O)C[C@H](C(=O)NCCCC)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_753.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1OC)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NC(C)C)C)CC(C)C)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NC(C)C)C)CC(C)C)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_754.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_755.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_756.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_757.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_758.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CC)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)CC)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_759.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_760.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(CC)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(CC)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_761.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CCC(F)(F)F)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CC)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CC)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_762.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CC1CC1)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CC1CC1)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_763.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(Cc3cc(ccc3)C)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(Cc3cc(ccc3)C)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_764.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(N(C)C1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N(C)C1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_765.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn(nc3)C)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_766.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_767.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COCC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_768.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(cc1)C#N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2)c(cc1)C#N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_769.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1c2OC(C[C@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc3ccccc3)c2cc1CC(C)(C)C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(N[C@H]([C@H](O)C[NH2+][C@H]1CC(Cc2nn(cc12)CC(C)(C)C)(C)C)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(N[C@H]([C@H](O)C[NH2+][C@H]1CC(Cc2nn(cc12)CC(C)(C)C)(C)C)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_770.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): O=C1NC(=NC(=C1)CCC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1NC(=NC(=C1)CCC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_771.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(cc1)CCC)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C[C@]2(N=C1N)c1cc(ccc1Oc1c2cc(OCC(C)C)cc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1C[C@]2(N=C1N)c1cc(ccc1Oc1c2cc(OCC(C)C)cc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_772.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_773.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc(ccc1)C1(OCCC(=N1)N)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc(ccc1)[C@@]1(OCCC(=[NH+]1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_774.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCCCCCCOCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_775.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1c(cc(cc1C)[C@@]1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_776.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)Oc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_777.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCNC2=O)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCC2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCNC2=O)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCNC2=O)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_778.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2ncn(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)c2nccc(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)c2nccc(c2c1)CC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_779.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_780.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1c(ccc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c(ccc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_781.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)\\C=C\\c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)C1CC1c1cc(ccc1)\\C=C\\c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_782.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)C(CC([NH3+])C(NC(=O)c2cc(ccc2)C(=O)N(CCC)CCC)Cc2ccccc2)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)C(CC([NH3+])C(NC(=O)c2cc(ccc2)C(=O)N(CCC)CCC)Cc2ccccc2)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_783.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(CC)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(CC)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_784.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)-c1ccccc1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)-c1ccccc1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_785.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_786.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#C[C@H](O)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#C[C@H](O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_787.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cncnc2)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_788.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cccc1-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_789.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc([nH]c2cc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc([nH]c2cc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_790.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2cc(OC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)-c2cc(OC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_791.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_792.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(-c2cc3c(OC(CC34N=C(N)N(C)C4=O)(C)C)cc2)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(-c2cc3c(OC(CC34N=C(N)N(C)C4=O)(C)C)cc2)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_793.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(F)cc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_794.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_795.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(F)(F)F)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(F)(F)F)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_796.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(F)cc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_797.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1c2c(cc(F)c1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(F)cnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(F)cnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_798.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_799.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)cccc4)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)c4c(N=3)ccnc4)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_800.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(C)c1ccccc1-c1cc2cc(CC(C(=O)NCCC(C)(C)C)C)c(nc2cc1)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCCC(C)(C)C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_801.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\\OCCC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\\OCCC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_802.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)C1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CC(N=C1N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(N)CC1)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(N)CC1)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_803.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_804.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCOCC1)Cc1ccccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)CC(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)CC(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_805.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_806.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(CCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(CCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_807.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C[NH2+]CC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C[NH2+]CC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_808.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1nccc(c1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1nccc(c1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_809.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCCCC2)N)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_810.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(N)c1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(N)c1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_811.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OCCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OCCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_812.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(Cc1ncccc1)c1ccc(cc1CNc1cccnc1N)-c1cc2[nH]ccc2cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(cnc1)-c1cc(ccc1)CNc1cccnc1N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): [nH]1c2cc(ccc2cc1)-c1cc(ccc1)CNc1cccnc1N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "[nH]1c2cc(ccc2cc1)-c1cc(ccc1)CNc1cccnc1N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_813.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@H](OCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)C(O)C1[NH2+]CC[NH2+]C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@@H](C1)C\\C=C\\C=C/C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CC[C@@H](C1)C\\C=C\\C=C/C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_814.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1-c1cccnc1F)C1(N=C(N)N(C)C1=O)c1cn(nc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_815.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCCC(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_816.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(ccc1)CC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): OC(C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1)C[NH2+]C1CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1)C[NH2+]C1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_817.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_818.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_819.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(OCc1ccccc1)=O)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(OCc1ccccc1)=O)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_820.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cncc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cncc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_821.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)CC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_822.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_823.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_824.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_825.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCc2nc(ncc2C1)N)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCc2nc(ncc2C1)C)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@]1(CCc2n[nH]cc2C1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@]1(CCc2n[nH]cc2C1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_826.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(OC)c(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(C)c(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c(C)c(NCC)c1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_827.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2CC(N=C12)(C)C)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2CC(N=C12)(C)C)N)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_828.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2ccccc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_829.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1O)C[C@@H]1CS(=O)(=O)C[C@H]([NH2+]Cc2cc(ccc2)C2CC2)[C@H]1O\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CC2CC2OC(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CC2CC2OC(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_830.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cccc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1c(ccc1C)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c(ccc1C)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_831.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_832.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_833.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_834.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)-c2cc(cnc2)C#CC)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cnc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_835.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)C#N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2c(cc(cc2)C#N)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)CN(S(=O)(=O)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc(cc(Cl)c1NC(=O)C)CNC(=[NH2+])NC(=O)Cn1c2cc(ccc2cc1)CN(S(=O)(=O)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_836.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_837.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_838.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccncc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_839.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1c(ccc1C(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c(ccc1C(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_840.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(ON=3)=O)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)NN=3)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)NN=3)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_841.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1nn(cc1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nn(cc1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1nn(cc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1nn(cc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_842.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(OCC)c(OCC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(OCC)c(OCC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_843.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_844.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]12CC(Cc1c2cc(cc1)-c1cncnc1)(C)C)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_845.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(F)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(F)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_846.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1sc(cc1C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1sc(cc1C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_847.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_848.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCC1CCCCC1)CCc1cc2c(nc1N)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(N(C)C1CCCCC1)CCc1cc2c(nc1N)cccc2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(N(C)C1CCCCC1)CCc1cc2c(nc1N)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_849.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_850.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(OCc1ccccc1)=O)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCN(C1)C(OCc1ccccc1)=O)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_851.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCOCC1)Cc1ccccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_852.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C(=O)N(C2)C)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_853.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_854.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CC1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(C2C=C(C=C3N(CC[NH+](C23)CC1)CC)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_855.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_856.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(CC[C@]12[N@H+](CCC2)CCC)[C@H](C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(CC[C@]12[N@H+](CCC2)CCC)[C@H](C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_857.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(ccc1)C#N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_858.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(F)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_859.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_860.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: o1ccc(C)c1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: o1cccc1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_861.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)C1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)C1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_862.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]C[C@H](OCCC)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_863.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_864.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(NC1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(NC1CCC([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)(CC1)c1cc(ccc1)C(C)(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_865.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)CC1)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)C1CC(N=C1N)(c1cc(ccc1)-c1cccnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)[C@H](OC)C1)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)[C@H](OC)C1)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_866.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_867.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_868.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_869.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](C)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_870.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OC[C@@H]1F)N)CF\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OC[C@@H]1F)N)CF", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_871.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_872.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1CCC)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_873.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc([N+](=O)[O-])cc1CC(c1ccc(OC)cc1)c1nc([nH]c1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(nc1N)C(Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_874.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_875.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCC(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CCC)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CCC(F)(F)F)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2c(CCC1)c(NCC)cc(c2)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CCC(F)(F)F)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_876.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1ncccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_877.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)Nc2cc(cc3c2n(cc3CC)CCC1)C(=O)NC(Cc1ccccc1)C(O)CNc1ccc(OC)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)CNc1ccccc1)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)CNc1ccccc1)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_878.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)CN1CC(NC1=O)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(N(C)C)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cc(ccc1)CN1CC(NC1=O)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(N(C)C)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_879.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_880.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCC(CC1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Oc1ccc(cc1-c1cc(cnc1)C#CC)C1(N=C(C)C(=N1)N)C1CC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCN(CC1)C(=O)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C1CCN(CC1)C(=O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_881.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2COCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1C2COCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1C2COCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_882.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(=O)[O-])C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(=O)[O-])C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_883.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1sccc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1sccc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_884.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O[C@H](COCCOC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O[C@H](COCCOC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_885.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CCCOC(=O)C)C=1C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C=1[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C(N(CC(=O)N(C(C)C)C)C=1C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)C=1[C@@H](C)C(=CN(CC(OC(C)C)=O)C=1C)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)C=1[C@@H](C)C(=CN(CC(OC(C)C)=O)C=1C)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_886.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc2c(n(cc2C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cc(OC)ccc2)C(=O)N(CCCC)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc2c(n(cc2C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C[NH2+]Cc2cc(OC)ccc2)C(=O)N(CCCC)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_887.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(O)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_888.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_889.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_890.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)c1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)c1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_891.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(Cc2ccccc2)C(=NC1(C1CCCCC1)c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CCCC1CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_892.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_893.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2n(cc(c2c1)CC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_894.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c(cccc1OC)-c1cc(ccc1)[C@]1([NH+]=C(N2CC(F)(F)CN=C12)N)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c(cccc1OC)-c1cc(ccc1)[C@]1([NH+]=C(N2CC(F)(F)CN=C12)N)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_895.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)C2N1CCCC2)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)[C@@H]2N1CCCC2)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cnc1)-c1cc(ccc1)C1(N=C(N)[C@@H]2N1CCCC2)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_896.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O[C@H](COCCOC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O[C@H](COCCOC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_897.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cscc1C[C@H](NC1=[NH+]C(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC([NH+]=C(N[C@@H](C[C@H]3[C@H](SC=C3c3cn[nH]c3)CCC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc2CC([NH+]=C(N[C@@H](C[C@H]3[C@H](SC=C3c3cn[nH]c3)CCC)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_898.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2n(cc(c2c1)CC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_899.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1ccccc1)c1cc(cnc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1ccccc1)c1cc(cnc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_900.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)[C@@H]1C[C@@H]1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_901.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(N(C(=O)CC)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C1CC(CCC1)C(NC(=O)CC)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "OC(C(NC(=O)C1CC(CCC1)C(NC(=O)C)(C)C)Cc1ccccc1)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_902.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)c3c(C2)cccc3)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(Oc3c(cccc3)C(=N2)N)C)c(F)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)c2c1cccc2)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)c2c1cccc2)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_903.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@@H](COC\\C=C\\C[C@H](NC2=O)c1ccccc1)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CC(NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C\\C=C\\C1)c1ccccc1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)N[C@H](C\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_904.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CC)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CCC)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CCC)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_905.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1(OCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1OCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_906.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_907.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_908.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)CCCC(OCCOC)c1cc(COCC(NC2=O)C(O)CC(C(C)C)C(=O)NCC(C)C)ccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1nc2CC[C@@H](CCc3cc(C[C@]([NH3+])(C)C(OCc(c1)c2)=O)ccc3)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1nc2CC[C@@H](CCc3cc(C[C@]([NH3+])(C)C(OCc(c1)c2)=O)ccc3)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_909.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_910.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NC1CCC1)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(NC1CC1)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(NC1CC1)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_911.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1)CC(NC(=O)COCC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1)CC(NC(=O)COCC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_912.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(-c2cc3c(Oc4c(cc(OC)cc4)[C@@]34N=C(OC4)N)cc2)c(F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(cc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_913.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1ccccc1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccc(F)cc1)C)COCc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccc(F)cc1)C)COCc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_914.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_915.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1c2c(cc(cc2)-c2cc(ccc2)C#N)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cnc1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(cnc1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_916.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_917.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)NCC[NH+]1CCOCC1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCC1CCOCC1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NCC[NH+]1CCOCC1)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NCC[NH+]1CCOCC1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_918.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C(=O)N(C2)C)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C(=O)N(C1)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc([C@@]2(N=C(N)C(=O)N(C2)C)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc([C@@]2(N=C(N)C(=O)N(C2)C)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_919.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)[C@@]12N=C(O[C@@H]1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C12N=C(OC1CCCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_920.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CCCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CCCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_921.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_922.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1occ(n1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_923.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(c1)C(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_924.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCC[C@@H]1COC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cccnc2n(c1)C(=O)N1CCC[C@@H]1COCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CC1CC1)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CC1CC1)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_925.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_926.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1CCC)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(=O)C1=CN(C=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H]1C)CC(OC(C)C)=O)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(C)C)C(=O)CN1C(C)=C(C(=O)C)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_927.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CCC1CCCCC1)=N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CC1CCCCC1)=N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(Cc2ccc(cc2)CN2C[C@@H](NC2=O)CCC)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(Cc2ccc(cc2)CN2C[C@@H](NC2=O)CCC)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_928.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(nc1N)C1(CCCC1)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(nc1N)C1(CCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(cc1)C1(CCCC1)c1nc(sc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(cc1)C1(CCCC1)c1nc(sc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_929.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]Cc2c(C1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_930.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)C([NH2+]CC(O)C1NC(=O)c2cc(cc(NCCCCOc3cc(C1)ccc3)c2)COC)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)C([NH2+]CC(O)C1NC(=O)c2cc(cc(NCCCCOc3cc(C1)ccc3)c2)COC)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_931.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(ccc1)C(=O)N(CCC)CCC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_932.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)C12N=C(OC1CCCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_933.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_934.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C1CCCC1)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC1CCCCC1)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC1CCCCC1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_935.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_936.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(cc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(cc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_937.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_938.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCOCC1)Cc1ccccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)CC(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)CC(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_939.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(-c2cccnc2F)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_940.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2cc(ccc2OC1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CCc2cc(ccc12)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CCOc2c1cc(cc2)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCOc2c1cc(cc2)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_941.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_942.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3c(csc3CCC)-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3cscc3-c3n[nH]cc3)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3cscc3-c3n[nH]cc3)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_943.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(NC(=O)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(NC(=O)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_944.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_945.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2ccc(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2ccc(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_946.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_947.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)NCC[NH+]1CCOCC1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NCC[NH+]1CCOCC1)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC[NH+](CC1)CC(O)COc1cc(ccc1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC[NH+](CC1)CC(O)COc1cc(ccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_948.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2occn2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2occn2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_949.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(OC1)N)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC(N=C1N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(N=C1N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_950.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_951.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)-c1ccccc1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)-c1ccccc1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_952.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C(F)(F)F)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2cc(ccc2)C#N)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2ccccc2)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(Oc2ccccc2)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_953.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)[C@@H]1CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)[NH2+]CCCC)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)[C@@H]1CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)[NH2+]CCCC)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_954.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2ncccc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2c(cc(cc2)-c2ncccc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_955.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)COC)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)COC)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_956.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cscc1C[C@H](NC1=[NH+]C(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_957.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C(=O)N(C2)C)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C(=O)N(C1)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)[C@@]1(N=C(N)C(=O)N(C1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)[C@@]1(N=C(N)C(=O)N(C1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_958.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cscc1C[C@H](NC1=[NH+]C(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_959.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cccc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1c(ccc1C)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(cc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_960.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CCCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CCCC)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_961.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CC(=NC1(C)c1cc(NC(=O)c2ncc(cc2)C#N)ccc1)N)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: FC(F)(F)c1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CN(C)C1=O)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_962.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C#N)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C#N)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_963.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)/C(=N/OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)/C(=N/OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_964.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2ccc(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2ccc(O)cc2)C)CN1C)c1cc(F)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_965.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(cc1)C1(CCCC1)c1nc(sc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(nc1N)C1(CCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1N)C1(CCCC1)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1N)C1(CCCC1)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_966.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CCCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_967.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_968.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_969.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NC)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NC)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_970.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_971.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCOCC1)c1cc(-n2nccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_972.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(F)cc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_973.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCc1cccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cncc1CNC(=O)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCc1nccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCc1nccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_974.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)Oc1ccc(cc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc(ccc1)CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_975.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccc(cc1)-c1cc(ccc1)C)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(C)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_976.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCC=C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CO)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_977.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC(O)(Cc1ccccc1)C[NH3+])=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC([NH2+]C)(Cc1ccccc1)CO)=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_978.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)N(CC1CCCCC1)C)CC)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)CCCC(=O)N(CC1CCCCC1)C)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NCC1CCCCC1)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NCC1CCCCC1)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_979.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)CCC=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(=C1)CCc1cc(ccc1)-c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(=C1)CCc1ccc(cc1)-c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(=C1)CCc1ccc(cc1)-c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_980.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(c1cc2CN(CCC(=O)N(C)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C1CCCCC1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(c1cc2CN(C(CCC(=O)N(C)C3CCCCC3)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(c1cc2CN(C(CCC(=O)N(C)C3CCCCC3)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_981.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccc(cc1)C#N)=O\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccccc1)=O\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_982.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_983.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_984.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCOCC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_985.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_986.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(Oc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)(=O)(=O)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(Oc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)(=O)(=O)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_987.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(c1)/C(=N\\O)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_988.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_989.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C1CCCC1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(N2CCCC2=O)cc(NCC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(cc(N2CCCC2=O)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(cc(N2CCCC2=O)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_990.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)C)=N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CC1CCCCC1)CCC1CCCCC1)=N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CCC1CCCCC1)CC(C)C)=N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(NC1(CCC1CCCCC1)CC(C)C)=N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_991.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_992.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC\\C(=N\\O)\\CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(=O)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)=C)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)=C)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_993.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C[NH+](C1)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C[NH+](C1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_994.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1-c1cncnc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_995.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(Cc1ccccc1)C)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(Cc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(Cc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_996.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cccc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(cc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_997.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_998.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(O)c1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(O)c1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_999.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Brc1cc(ccc1O)CC1CS(=O)(=O)CC([NH2+]Cc2nccc(c2)C(C)C)C1O\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1000.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2OC)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2OC)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1001.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@@]1(C[C@H]1C)c1cc(ccc1)C(C(F)F)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@@]1(C[C@H]1C)c1cc(ccc1)C(C(F)F)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1002.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)cc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)cc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1003.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CCC(F)(F)F)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1004.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(OCCCC#N)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(OCCCCC)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(NCC=C)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(NCC=C)c1ccc(cc1)-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1005.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1CC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(ccc1)-c1cc(ccc1)C1(OCCC(=N1)N)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1CCC(=NC1(C)c1cc(ccc1)-c1cc(OC)ccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1006.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC12CC(Cc1c2cc(cc1)-c1cc(ccc1)C#N)(C)C)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC12CC(Cc1c2cc(cc1)-c1cc(ccc1)C#N)(C)C)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1007.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](C)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(OC(C)(C)C)=O)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C2=CN(C=C(C(OC(C)(C)C)=O)[C@H]2CCC)CC(OC(C)C)=O)Cc2ccccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1008.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(c1)C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(c1)C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1009.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCNc2cc(N3C=COC3)cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCNc2cc(N3C=COC3)cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1010.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(CCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(CCC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1011.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1012.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): O1CCCCCCNC(=O)CC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCCCNC(=O)CC(NC(=O)C(NC1=O)C(C)C)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1013.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1014.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1015.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCOCC1)Cc1ccccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)CC(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C1CCOCC1)CC(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1016.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)[C@@H]1[NH2+]CCN(C1)C(=O)c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N1CC([NH2+]CC1)C(O)C(NC(=O)c1cc(cc(c1)C)C(=O)N1CCCC1COC)Cc1cc(F)cc(F)c1)c1cc(ccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N1C[C@@H]([NH2+]CC1)[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N1C[C@@H]([NH2+]CC1)[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1017.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1018.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1c(cc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cc(cnc1)C#CC)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cccnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1019.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Brc1cc(cc(F)c1N)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Brc1cc(cc(F)c1N)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)(C)C)C1O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1020.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1CCC(N=C1N)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1021.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)C1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)[C@H]1OCCC1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCC1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCC1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1022.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1023.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1024.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1c2c(ccc1)C([NH+]=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1-c1cncnc1)[C@]1([NH+]=C(N)c2c1cccc2F)c1cc(ncc1)C(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ccc(cc1-c1cncnc1)[C@]1([NH+]=C(N)c2c1cccc2F)c1cc(ncc1)C(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1025.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cccc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1c(ccc1C)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c(ccc1C)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1026.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1027.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)C)C(=O)NCc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)c1ccccc1)C(=O)NCc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)c1ccccc1)C(=O)NCc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1028.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)C=3C=CC(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)CC)C([NH2+]CC(O)C2NC(=O)C=3C=C(N4CCCC4)C(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)CC)C([NH2+]CC(O)C2NC(=O)C=3C=C(c4ncccc4)C(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)CC)C([NH2+]CC(O)C2NC(=O)C=3C=C(c4ncccc4)C(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1029.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](CCC(=O)N)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(OC)=O)C)C)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-])COc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NC[C@H]([NH3+])C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC[C@](O)(CCc1ccccc1)C(=O)Nc1cc(ccc1)C(=O)[O-])c1nnn[n-]1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(NC[C@H]([NH3+])C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC[C@](O)(CCc1ccccc1)C(=O)Nc1cc(ccc1)C(=O)[O-])c1nnn[n-]1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1030.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1031.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCNC2=O)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCC2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCNC2=O)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCNC2=O)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1032.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)C#CC)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)C#CC)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1033.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N[C@@H]1C[C@H](C[C@@H](C1)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(OC)=O)C)C)CC1CCCCC1)C(=O)N[C@H](C)C1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1034.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(CCCCC)c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(CCCCC)c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1035.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(C)C)C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C)C(C(=O)NOCc2ccccc2)=C1C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](CC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](CCC)C(C(=O)NOCc2ccccc2)=C1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1036.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCc1ccccc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCc1nccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCc1cccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCc1cccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1037.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OC(F)(F)Oc2cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1cc2OCCOc2cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCCC2)N)c1cc2OCOc2cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1038.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC\\C(=N\\O)\\CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(=O)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)=C)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(CC1)=C)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1039.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NC(C)C)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NC(C)C)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1040.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccccc2)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1041.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1042.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cc(F)cc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1043.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2=O)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1044.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1OCCCC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1(OCCC1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C1(OCCC1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1045.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1046.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1047.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCCC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1048.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1ccccc1OC)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(c1ccccc1OC)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1049.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CC)c1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(C1)CC(C2)C3", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1050.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC(O)(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C[NH2+][C@H](C(=O)NCC(C)C)C)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NCC([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1051.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)[C@@H]1CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)[NH2+]CCCC)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)[C@@H]1CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)[NH2+]CCCC)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1052.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccc(OC)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1cc(OC)ccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1cc(OC)ccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1053.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)C1CCCC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCC1CCCCC1)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C1CCCC1)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)C1CCCC1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1054.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1055.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]CCCOC(C)(C)C)C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1ccc(cc1)CC1CC[NH2+]CC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1ccc(cc1)CC1CC[NH2+]CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1056.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2nccc(c2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1057.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1058.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1OCCCC)CSC(=[NH2+])N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CC(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc1ccccc1)C(=O)[O-])C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Oc1ccc(cc1)CC[NH3+]\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Oc1ccc(cc1)CC[NH3+]", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1059.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1060.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Ic1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)C[C@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1061.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1c(cc(cc1C)[C@@]1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1c(cc(cc1C)[C@@]1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1062.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1ccc(cc1)\\C=C\\C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1063.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(ccc1)CC(NC(=O)C(O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1064.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(OC)cc1-c1cc(ccc1)C1(N=C(N2C1=NCC(F)(F)C2)N)c1ccncc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cc(OC)cnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c(cccc1OC)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c(cccc1OC)-c1cc(ccc1)C1(N=C(N2C1=NCCC2)N)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1065.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1066.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(C)c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(C)c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1067.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OC)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1068.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1069.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1070.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1071.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]C[C@@H](O)[C@@H](NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1c(ccc1CC(C)(C)C)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(nc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(nc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CC1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1072.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CNc1ccc(F)cc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CNc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)CNc1ccccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1073.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(O)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(O)CC1)c1cc(ccc1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1074.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1C)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1C)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1075.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCc3cc(C2)ccc3)CC12CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)C=3C=CC(=O)N(CCCCc4cc(C2)ccc4)C=3)CC12CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCCc3cc(C2)ccc3)CC12CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)CC)[C@@H]([NH2+]C[C@@H](O)[C@H]2NC(=O)CCCCCCCc3cc(C2)ccc3)CC12CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1076.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OC2CCCC2)ccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1cc(OC2CCCC2)ccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1077.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NC)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1078.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1079.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCC2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOC2=O)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOC2=O)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1080.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]C(C)(C)c1cc(ccc1)C(F)(F)F)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C(O)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1081.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2cc(OCC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)-c2cc(OCC)ccc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1082.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)CCCC([NH3+])(Cc1ccccc1)CO)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(OCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(NCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(NCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1083.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C)c1ccc([N+](=O)[O-])cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1OC)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCC(C)C)C)CC(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NC(C)C)C)CC(C)C)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NC(C)C)C)CC(C)C)C(=O)NC(C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1084.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)C(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1cc(cc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1085.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2ccncc2)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cncnc2)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cccnc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1086.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(C)c(nc1)C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(C)c(nc1)C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1087.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)CC(Cc2cc(OC(CO)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1088.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCC(NO)CC1)c1cc(ccc1)C(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(OC)c1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(cc(OC)c1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1089.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCC1CCCCC1)[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCC1CCCCC1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1090.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1091.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2=O)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCC2=O)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCOCC2=O)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1092.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1093.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cscc1C[C@H](NC1=[NH+]C(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cscc1C[C@H](NC1=[NH+]C(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1094.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)C[C@@H](Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)C[C@@H](Cc2cc(O[C@H](COC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2F)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2F)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1095.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC1CC1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1C#CC1CC1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1096.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(O)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1097.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1c2c(cc(cc2)-c2cc(ccc2)C#N)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cc(F)c1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(cc(F)c1)-c1cc2c(SC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1098.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCOc2cc(CC(NC(=O)c3cc(N4CCCC4=O)cc1c3)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)ccc2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCOc2cc(CC(NC(=O)c3cc(N4CCCC4=O)cc1c3)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)ccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1099.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(C1)(C)C1CC1c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1N(C)C(=NC(C1)(C)[C@H]1C[C@@H]1c1ccccc1)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(N[C@](C1)(C)[C@@H]1C[C@H]1c1ccccc1)=N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(N[C@](C1)(C)[C@@H]1C[C@H]1c1ccccc1)=N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1100.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@@H](C1)C(F)(F)F)N)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C(F)(F)F)[C@@H]1F)N)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C(F)F\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(OCC1)N)C(F)F", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1101.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)NCC2(N1c1cc(F)ccc1)CC([NH+](CC2)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1102.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=NC(C1)(C)C1CC1c1ccccc1)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC(C1)(C)[C@H]1C[C@@H]1c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(C)C(=NC(C1)(C)[C@H]1C[C@@H]1c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1103.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1ccc(cc1)C1(N=C(C)C(=N1)N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O(C)c1c(cc(cc1C)[C@@]1([NH+]=C(N)C(=N1)C)c1cc(ccc1)-c1cncnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1104.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccccc1)=O\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccc(cc1)C#N)=O\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccc(cc1)C#N)=O", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1105.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): O=C1NC(=NC(=C1)CCC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1NC(=NC(=C1)CCC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1106.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#CC)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC(F)(F)F)nc2)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2ncc(OCC#C)nc2)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1107.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(OCCO)cc2)c(cc1)-c1ccc(Oc2cncnc2)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1ccccc1-c1n(Cc2nc(N)c(NCCO)cc2)c(cc1)-c1ccc(Oc2cncnc2)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cncnc2)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccccc1-c1n(Cc2nc(N)ccc2)c(cc1)-c1ccc(Oc2cncnc2)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1108.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C[C@@H]([NH2+]CC1)[C@@H](O)[C@@H](NC(=O)c1cc(cc(c1)C)C(=O)N(CCC)CCC)Cc1cc(F)cc(F)c1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N1CCCC1COC)C(O)C1[NH2+]CC(Oc2ccccc2)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N1CC([NH2+]CC1)C(O)C(NC(=O)c1cc(cc(c1)C)C(=O)N1CCCC1COC)Cc1cc(F)cc(F)c1)c1cc(ccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N1CC([NH2+]CC1)C(O)C(NC(=O)c1cc(cc(c1)C)C(=O)N1CCCC1COC)Cc1cc(F)cc(F)c1)c1cc(ccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1109.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1CCCC1CN1C(=O)C(N=C1N)(C1CCCCC1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C1N(Cc2ccccc2)C(=NC1(C1CCCCC1)c1ccccc1)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C1N(Cc2ccccc2)C(=NC1(C1CCCCC1)c1ccccc1)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1110.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc2c(cc1)C1(CCC2)C[NH2+]CC1C(=O)N1CCC(CC1C1CCCCC1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1)[C@@H]1C[NH2+]C[C@]12CCCc1c2cccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(N1CCC(CC1)c1ccccc1)C1C[NH2+]CC12CCCc1c2cccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O=C(N1CCC(CC1)c1ccccc1)C1C[NH2+]CC12CCCc1c2cccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1111.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC([C@H](O)C[NH2+]CCC(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]CCC)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]C(CC)C)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]C(CC)C)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1112.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C(=O)[C@H]1N(CCC1)C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(N)CC[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](O)C)C(C)C)C)C(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N([C@H](CC1CCCCC1)C(=O)[O-])C)C)CC1CCCCC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1113.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=N[C@@]1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC)N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CCCC)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC(C)C)N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(C)C(=NC1(c1cc(ccc1)-c1cncnc1)c1cn(nc1)CC(C)C)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1114.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC(F)(F)F)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S1(=O)(=O)CC(Cc2cc3c([nH]cc3CC)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)C[C@@H](Cc2cc3c([nH]cc3CC(F)F)cc2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1115.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC2(N=C1N)CC(Cc1c2cc(cc1)-c1cncnc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1116.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cn(nc2)CC(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cn(nc2)CC(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cn(nc2)CC(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1117.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OC(C(F)(F)F)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(O)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1118.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)c1cc(ccc1)C(C)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCOc2nc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)c1cc(ccc1)C(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1119.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)[C@]([NH+]=C2N)(c1cc(ccc1)C#CCOC)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1120.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cscc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3cscc3C#CC)C(=O)[O-])c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1ccsc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1ccsc1CC(NC1=NC(Cc2c1ccc(Cl)c2)(C)C)C(=O)[O-]", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1121.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1122.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1occ(n1)C(C)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1oc(cn1)C(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1123.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(OCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(OCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1124.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(c1cc(cc(c1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)N(CCC)CCC)c1ccc(OC)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1125.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(ccc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(ccc1C(F)(F)F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1126.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)C(=O)c1ccccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1nc(OC)ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1c(ccc1-c1cc(C#N)c(F)cc1)C12N=C(N)N(C)C(=O)C1CN(C2)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1c(ccc1-c1cc(C#N)c(F)cc1)C12N=C(N)N(C)C(=O)C1CN(C2)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1127.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)C12N=C(OC1CCCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1128.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(cc(Cl)c1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1129.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc(cnc1)-c1cc(ccc1)C12N=C(OC1COCC2)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1130.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(F)(F)F)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C(F)(F)F)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1131.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(nc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(nc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1132.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1133.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)CCCC([NH3+])(Cc1ccccc1)CO)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(OCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(CCC([NH3+])(Cc1ccccc1)CO)c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(CCC([NH3+])(Cc1ccccc1)CO)c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1134.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1cc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1cc(cc1C(=O)CC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cc(OC)cnc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cc(cc1)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cc(OC)cnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1135.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Clc1cc(Cl)cnc1C(=O)Nc1cc(C2(N=C(N)COC2)C)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C[NH+](C1)C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)C[NH+](C1)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1136.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O(C)c1ccccc1-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(CCC)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(CCC)c1cc(ccc1)-c1cc(ccc1)C1CC1C1(N=C(N)N(C)C(=O)C1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1137.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#N\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(F)cnc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1c2c(cc(F)c1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1c2c(cc(F)c1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)CC)c1cc(ccc1)-c1cc(cnc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1138.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC#N\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CCCC#N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1139.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccccc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(F)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(Oc2ccc(OC)cc2)c1)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1140.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)c3oc(nn3)C)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: [nH]1nnnc1C(NC1=NC(Cc2c1cccc2)(C)C)Cc1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ocnn3)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)c3ocnn3)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1141.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(CCCC1)C(C)(C)[C@@H]1C[C@@H](CCC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(C)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C1N(CCC1)C(C)(C)C1CC(CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C1N(CCC1)C(C)(C)C1CC(CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1142.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cn(nc1C(=O)Nc1cc(C2(N=C(OCC2(F)F)N)C)c(F)cc1)C(F)F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)COC(=NC1(C)c1cc(NC(=O)c2nn(cc2)C(F)F)ccc1F)N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)COC(=NC1(C)c1cc(NC(=O)c2nn(cc2)C)ccc1F)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC1(F)COC(=NC1(C)c1cc(NC(=O)c2nn(cc2)C)ccc1F)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1143.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1ccnc1-c1cc(ccc1F)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1ccnc1-c1cc(ccc1F)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1144.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC(O)(Cc1ccccc1)C[NH3+])=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(OCC([NH2+]C)(Cc1ccccc1)CO)=O)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(OC[C@]([NH3+])(Cc1ccccc1)CO)=O)C(=O)N[C@H](C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1145.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N1C(C)=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](CC)C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)=C1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C(C)C)C(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(=C1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1146.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(ccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Brc1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1147.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2nccn2C)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2nccn2C)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1148.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)C(C)C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cc(ccc2)C(F)(F)F)c1C)c1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cccc(C(=O)NC(Cc2ccccc2)C(O)C[NH2+]Cc2cc(ccc2)C(F)(F)F)c1C)c1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1149.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(C)C)C1=O)CCc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1150.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2nc(n(c2cc1)CCCO)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(OC)=O)COC(C)(C)C)CC)N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C(=O)[O-])COC(C)(C)C)CC)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1151.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CCC(NC(=O)C(NC(=O)C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(CCC(NC(=O)C(NC(=O)C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1152.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)C([NH3+])(Cc1ccccc1)CO)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)CNC(=O)C([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)[C@]([NH3+])(Cc1ccccc1)C)C(=O)N[C@H](C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)COC(=O)[C@]([NH3+])(Cc1ccccc1)C)C(=O)N[C@H](C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1153.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCCCC1c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCOCC1c1ccccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1ccccc1C1C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1154.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(cc(F)c1)-c1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Brc1cc(ccc1)C12N=C(OC1CCCC2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Brc1cc(ccc1)C12N=C(OC1CCCC2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1155.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccncc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(cc(OCC)c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)c1cccnc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1156.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](C)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O(C)c1cc(NC[C@@H](O)[C@@H](NC(=O)C=2[C@H](CCC)C(C(=O)C)=C(N(CC(OC(C)C)=O)C=2C)C)Cc2ccccc2)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1157.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Nc1cc(Nc2ncnc(c2)-c2ccccc2)ccc1C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1ccccc1-c1scc(-c2ccc(OCCC)cc2)c1CC(=O)NC(=[NH2+])N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccccc1-c1scc(-c2ccc(OCCC)cc2)c1CC(=O)NC(=[NH2+])N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1158.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C(NCc1ccccc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C(NCc1nccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O=C(NCc1cccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O=C(NCc1cccnc1)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1159.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3N(CCN(CC1)c23)CC)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1ccccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1160.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCNc2cc(N3C=COC3)cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCNc2cc(N3C=COC3)cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1161.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CCCC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(CC)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1(N=C(N)N(C)C1=O)c1cn(nc1)CC(CC)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1162.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COC\\C=C/CCN(C)C2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NCC\\C=C\\COCC(NC2=O)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1CC(NC(=O)c2cc(cc(c2)C(=O)NCC\\C=C\\C1)C)C(O)C[NH2+]Cc1cc(ccc1)C(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1163.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1ccccc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(Cc1ccccc1)c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(Nc1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1164.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2CC(N=C12)(C)C)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1ncccc1-c1cc(ccc1)[C@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCC2)N)c1ccc(OC(F)(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)C1([NH+]=C(N2C1=NCC2)N)c1ccc(OC(F)(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1165.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)c1c2cc(ccc2n(c1)C(=O)N(CCCC)C)C#N)[C@H](O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(OCCCC)=O)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(OCCCC)=O)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1166.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2ncc(cc2[C@@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)[C@H](OC)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C(C)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C(C)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1167.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1cc(ccc1)-c1cc2c(OC(CC23N=C(N)N(C)C3=O)(C)C)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1168.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)NN=3)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(=O)C(=CN=3)C#N)c2cc1)(C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(ON=3)=O)c2cc1)(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1cc2CC(N=C(NC(Cc3ccccc3)C=3NC(ON=3)=O)c2cc1)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1169.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(ccc1)-c1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2c(cc(cc2)-c2cc(ccc2)C#N)[C@]2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2c(cc(cc2)-c2ccccc2)C2(N=C(N)N(C)C2=O)CC1(C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "O1c2c(cc(cc2)-c2ccccc2)C2(N=C(N)N(C)C2=O)CC1(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1170.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ccc(cc1OCC(F)F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ccc(cc1OCC(F)F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1171.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(CCCC(C)C)(C)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CCC(F)(F)F)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CC)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]CC)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1172.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccncc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC1(F)CN2C(=NC1)C(N=C2N)(c1cc(ccc1)-c1cncnc1)c1ccncc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1173.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1C#CCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FCC#Cc1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)C#CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1174.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1ccccc1)C(=O)NC(C)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1175.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(Cc3cc(ccc3)C)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(Cc3cc(ccc3)C)c(O)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1176.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1)c1ccccc1)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(OC)ccc1)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S(=O)(=O)(N(c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]C(C(=O)NC1CCCCC1)C)c1cc(OC)ccc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1177.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3)CC2)c(OC(C)C)c(OC)c1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)c(O)cc2)C)CN1C)c1cc(F)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3C)CC2)c(OC(C)C)c(OC)c1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3C)CC2)c(OC(C)C)c(OC)c1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1178.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O=C1N(C)C(=[NH2+])NC1(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O=C1N(C)C(=[NH2+])NC1(c1cc(ccc1)-c1cccnc1)c1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1cc(cnc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)C1CC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Clc1cc(cnc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)C1CC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1179.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2n(cc(c2c1)CC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2c(n(cc2)CC)c1)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(F)(F)c1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1cc(N2CCCC2=O)c2[nH]cc(c2c1)CC)Cc1ccccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1180.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOCOC1\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)[C@H]1CCOC1\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C1CCOC1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1181.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(ccc1)CC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Brc1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCOC)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCOC)C)C(O)C[NH2+]Cc1cc(OC)ccc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1182.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nTarget Molecule (Smiles): S(CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(CCC(NC(=O)C(NC(=O)C)C(C)C)C(=O)NC(C(O)CC(C(=O)NCCCC)C)CC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1183.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCCC1C2)N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: Clc1ccc(nc1)C(=O)Nc1cc(C23N=C(N)COCC2C3)c(F)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCC1C2)N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C12N=C(SCC1C2)N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1184.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: n1c2c(ccc1N)cccc2\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: n1cccc(NCc2ccccc2)c1N\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): n1ccc2c(cccc2)c1N\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1ccc2c(cccc2)c1N", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1185.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)C[C@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)(CC(C)C)C1=O)CCc1ccccc1)[C@H](O)[C@@H]1[NH2+]Cc2c(C1)cccc2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2OC\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2OC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1186.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ncccc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ccncc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc(ccc2)-c2ccncc2)CC12CCC2)CC(C)(C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1187.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)C)C(O)C1[NH2+]CC(O)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CC(C)C)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(CCCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1188.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: s1ccnc1-c1cc(ccc1)C[C@H](NC(=O)[C@H](OC)C)[C@H](O)C[NH2+][C@H]1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): s1cncc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "s1cncc1-c1cc(ccc1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1189.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cccc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cncnc1)C1(N=C(N)c2c1cc(F)cc2F)c1cc(ncc1)C(F)F\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(F)(F)c1nccc(c1)C1(N=C(N)c2c1cccc2)c1cc(ccc1)-c1cncnc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "FC(F)(F)c1nccc(c1)C1(N=C(N)c2c1cccc2)c1cc(ccc1)-c1cncnc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1190.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: Brc1cc(ccc1)C[NH2+]CC(O)C(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)Cc1ccccc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCC(C)C)C)C(O)C[NH2+]Cc1cc(OC)ccc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(ccc1)CC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C[NH2+]Cc1cc(ccc1)CC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1191.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccccc1)C(O)CC(C(C)C)C(=O)NC)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc2cc(c1)C(=O)NC(COCc1cc(ccc1)C(NC2=O)c1ccc(OC)cc1)C(O)CC(C(C)C)C(=O)NCC(C)C)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1192.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C(F)F)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): S(=O)(=O)(N(C)c1cc(cc(OCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "S(=O)(=O)(N(C)c1cc(cc(OCCC([NH3+])(Cc2ccccc2)CO)c1)C(=O)NC(C)c1ccc(F)cc1)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1193.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O(C)c1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: Fc1ccc(cc1-c1cccnc1F)[C@@]1(N=C(N)N(C)C1=O)c1cc(C)c(OC)cc1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1194.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(O[C@H](COCC)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S1(=O)(=O)C[C@@H](Cc2cc(C[C@H](O)C(F)(F)F)c(N)c(F)c2)[C@H](O)[C@@H]([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): S1(=O)(=O)CC(Cc2cc(OCCC)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "S1(=O)(=O)CC(Cc2cc(OCCC)c(N)cc2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1195.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(C)(C)c1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)COC\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C)COC", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1196.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)-c1oc(nn1)[C@]([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C)c1ccc(F)cc1)-c1nc([nH]n1)C([NH3+])(Cc1ccccc1)C)C\nBACE-1 Inhibit: No\n\nTarget Molecule (Smiles): s1c(nnc1C([NH3+])(Cc1ccccc1)C)-c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "s1c(nnc1C([NH3+])(Cc1ccccc1)C)-c1cc(cc(N(S(=O)(=O)C)C)c1)C(=O)NC(C)c1ccc(F)cc1", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1197.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: O1c2ncc(cc2[C@@H]([NH2+]C[C@@H](O)[C@@H](NC(=O)[C@H](OC)C)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nExample 2:\nSmiles: O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)COC)Cc2cc3OCOc3cc2)CC12CCC2)CC(C)(C)C\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): FC(C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C\nBACE-1 Inhibit:\n", "Answer": "Yes", "TargetMolecule": "FC(C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2)C", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1198.png"}
{"Question": "You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.\n\n\nTask Description:\nGiven the Smiles string and molecular properties above, predict whether this molecule can inhibit (Yes) the Beta-site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) or cannot inhibit (No) BACE1. Consider all molecular properties provided to assess the compound's potential as a therapeutic agent for Alzheimer's disease.\n\nExamples:\nExample 1:\nSmiles: n1ccc2c(cccc2)c1N\nBACE-1 Inhibit: No\n\nExample 2:\nSmiles: n1c2c(cc(cc2)-c2ccccc2C#CC(C)(C)C)ccc1N\nBACE-1 Inhibit: Yes\n\nTarget Molecule (Smiles): n1c2c(ccc1N)cccc2\nBACE-1 Inhibit:\n", "Answer": "No", "TargetMolecule": "n1c2c(ccc1N)cccc2", "SampleMethod": "scaffold", "SampleNum": 2, "SampleRep": "smiles", "file_name": "images/molecule_1199.png"}