jablonkagroup/chempile-lift · Datasets at Hugging Face

The compound with the SMILES of S(CC[C@H](NC(=O)CCC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C shows no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Clc1ccccc1-c1scc(-c2ccc(OCCC)cc2)c1CC(=O)NC(=[NH2+])N displays no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O=C1N[C@@H](C[C@@H](CCCCCCCC(=O)N[C@H]1C)C)[C@@H](O)C[C@H](C(=O)NCCCC)C shows no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Brc1cc(ccc1)C(=O)Nc1ccc(cc1)-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccccc1 shows no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O(CCC)c1cc(cc(N2CCCC2=O)c1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1 exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O=C1N(C)C(N[C@@]1(CC1CCCCC1)CCC1CCCCC1)=N displays no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3CCC)C(=O)[O-])c2cc1)(C)C shows no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of s1c2c(nc1C)C(=[NH+][C@@]2(c1cc(ccc1)-c1cncnc1)c1ccc(OC)cc1)N displays no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Clc1ccccc1-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccc(Oc2ccc(cc2)C(=O)C)cc1 displays no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Clc1cc2CC([NH+]=C(N[C@@H](Cc3ccccc3)C3=NOC(=O)[N-]3)c2cc1)(C)C exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Fc1ccc(NC(=O)c2ncc(cc2)C#N)cc1[C@]1(N=C(O[C@H](C1)C(F)(F)F)N)C shows no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of 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 displays no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O=C1N(C)C(=N[C@@]1(C12CC3CC(C1)CC(C2)C3)c1ccccc1)N exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of S(=O)(=O)(CCCCC)c1cc(ccc1)C(=O)N[C@H]([C@H](O)C[NH2+][C@H](C(=O)NC1CCCCC1)C)Cc1ccccc1 displays no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of S1(=O)(=O)N([C@]2(C[C@@H]([N@H+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1C)c1cc(F)ccc1 displays no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Fc1ncccc1-c1cc(ccc1)[C@]1(N=C(OC1)N)c1ccc(OC)cc1 exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)[C@H](OC)C1)c1cc(ccc1)-c1cccnc1 displays no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Fc1cc(ccc1OC)[C@H](Cc1cc([N+](=O)[O-])ccc1OC)c1nc([nH]c1)N exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O=C(N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)Cc1ccccc1)[C@H]1C[C@H](CCC1)C(NC(=O)C)(C)C shows no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O=C(NC(=[NH2+])N)Cn1c(ccc1-c1ccccc1)-c1ccccc1 displays no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of Brc1cc2c(S(=O)(=O)CC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1 shows no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of 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 displays no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O(C)c1cc(ccc1)-c1cc(ccc1)[C@@H]1C[C@@H]1C=1N=C(N)N(C)C(=O)C=1 exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Brc1cc(ccc1C#N)COC(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1 shows no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Clc1cc(ccc1)-c1cc(ccc1)[C@@]1(OCCC(=[NH+]1)N)C exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O(C)c1ccc(cc1)[C@@]1([NH+]=C(N)CC1)c1cc(ccc1)-c1cncnc1 displays no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Clc1cc2nc(n(c2cc1)[C@H](CC(=O)NC1C2CC3CC1CC(C2)C3)CC)N exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of [nH]1c2cc(ccc2cc1)-c1cc(ccc1)CNc1cccnc1N exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of Clc1cc(cnc1)-c1cc(ccc1)[C@@]12N=C(O[C@@H]1CCCC2)N displays no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccc(cc1)C#N)=O exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O=C1N(C)C(N[C@](C1)(C)[C@@H]1C[C@H]1c1ccccc1)=N shows no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Brc1cc2c(SCC[C@@H]2OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)cc1 exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O(C)c1cc(ccc1)-c1cc(ccc1)CCc1nc(N)ccc1 shows no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O(C(=O)[C@@H]1[NH2+]C[C@]2(C1)c1c(NC2=O)cccc1)C1(CCCCC1)C#N shows no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Clc1cc2nc(n(c2cc1)CCCC(=O)N(C)C1CCCCC1)N displays no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O=C([O-])[C@@H](\[NH+]=C\1/NC(Cc2c/1cccc2)(C)C)Cc1ccccc1 shows no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Brc1cc2c(OC(C[C@@]23N=C(N)N(C)C3=O)(C)C)cc1 exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of [NH+]=1C(C=2N(CCCN=2)C=1N)(c1ccccc1)c1ccccc1 displays no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O(C)c1cc(cnc1)-c1cc(ccc1)CNc1cccnc1N displays no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of S1CC[C@@](N=C1N)(C)c1ccc(OC)cc1 displays no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O=C1N(C)C(=N[C@@](C1)(CCc1ccccc1)C)N exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O=C1N(Cc2ccc(cc2)CNC(=O)NCCCC)C(N[C@@]1(CC(C)C)C)=N displays no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O=C1Nc2c(cccc2)[C@]12C[C@@H]([NH2+]C2)C(OCc1ccccc1)=O shows no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1 displays no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of n1cccc(NCc2cc(ccc2)-c2cccnc2)c1N displays no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O1CCC(OC(=O)[C@@H]2[NH2+]C[C@]3(C2)c2c(NC3=O)cccc2)CC1 displays no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O=C1NC(=NC(=C1)CCc1cc2[nH]ccc2cc1)N shows no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of o1cccc1C[N@H+](Cc1cc(ccc1)CCc1cccnc1N)C shows no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of Clc1cc(ccc1)CN1C(=O)[C@](NC1=N)(CC(C)C)C shows no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of Fc1ccc(cc1)CC1CC[NH2+]CC1 exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O=C1N(C)C(=NC(=C1)[C@H]1C[C@H]1c1ccccc1)N shows no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of Clc1cc(ccc1)CN1C(=O)C(NC1=N)(C)C displays no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Clc1cc2nc(n(c2cc1)CCCO)N displays no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of n1c2c(nc(N)c1N1CCCC1)cccc2 shows no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of Clc1cc(ccc1)CCc1cccnc1N exhibits no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of n1ccc2c(cccc2)c1N shows no inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O=C1NC(=NC(=C1)CCC)N shows no inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of S(=O)(=O)(CC(NC(OCn1nc(cc1C)C)=O)C(=O)NC(C(O)CC(C(=O)NC(C(C)C)C(=O)NCC(C)C)C)CC(C)C)C displays inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)C)C(=O)N1CCCC1COC)C(O)C1[NH2+]CC(Oc2ccccc2)C1 exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of 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 exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of 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 displays inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1nc(OC)ccc1)-c1cc(ccc1)C#N exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of 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 shows inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(OC)ccc1)C(=O)NC(C)c1ccccc1)C exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)C(=O)c1ccccc1)-c1cc(ccc1)C#N shows inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1OC)-c1cc(ccc1)C#N displays inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of 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 shows inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O=C1N(C)C(=[NH2+])NC1(C1CC1)c1cc(ccc1)-c1cc(cnc1)C#CC exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of s1cc(cc1C12N=C(N)N(C)C(=O)C1CN(C2)c1ncccc1C#N)-c1cc(ccc1)C#N shows inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of S1(=O)(=O)N(c2cc(cc3n(cc(CC1)c23)CC)C(=O)NC(Cc1ccccc1)C(O)(O)C[NH2+]C1CCOCC1)C displays inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of Clc1cc(cc(C)c1NC(=O)C)CN\C(=N/C(=O)c1c(nsc1C)-c1ccc(OC)cc1)\N shows inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of 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 shows inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of 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 shows inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Fc1ccc(NC(=O)C(CC([NH3+])C(NC(=O)c2cc(ccc2)C(=O)N(CCC)CCC)Cc2ccccc2)C)cc1 displays inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Fc1c2c(ccc1)C([NH+]=C2N)(c1cc(ccc1)-c1cncnc1)c1cc(ncc1)C(F)F shows inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Clc1cc(cc(Cl)c1N)CN\C(=N/C(=O)c1c(nsc1C)-c1ccc(OC)cc1)\N displays inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of Clc1cc(cnc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)C1CC1 exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O(C)c1cc(ccc1)-c1cc(ccc1)C1(NC(=[NH2+])N(C)C1=O)c1ccccc1 displays inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(N)N(C)C(=O)C1)C exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O(C)c1cc(ccc1)CN1CC(NC1=O)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(N(C)C)ccc1 displays inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O=C1N(C)C(=[NH2+])NC1(c1cc(ccc1)-c1cccnc1)c1ccccc1 exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O(c1cc2CN(C(CCC(=O)N(C)C3CCCCC3)C3CCCCC3)C(=[NH+]c2cc1)N)c1ccccc1 shows inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O=C1N(C)C(=[NH2+])NC1(c1ccccc1)c1ccccc1 exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O=C1NC(CN1Cc1ccccc1)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(N(C)C)ccc1 displays inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O=C(NCC1CCCCC1)CCc1cc2c(nc1N)cccc2 shows inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of O=C(N(C)C1CCCCC1)CCc1cc2c(nc1N)cccc2 exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3C)CC2)c(OC(C)C)c(OC)c1 exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Clc1cc(C[NH+]2CCC(NC(=O)COc3ccc(S(=O)(=O)N)cc3)CC2)c(OC(C)C)c(OC)c1 exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of 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 shows inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Fc1cc(ccc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2 exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Fc1cc(ccc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2 displays inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of 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 shows inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of S(=O)(=O)(N(C)c1cc2cc(NCCCCOc3cc(CC(NC2=O)C(O)C[NH2+]Cc2cc(ccc2)C(C)C)ccc3)c1)CCC shows inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of O1CCCCOc2cc(CC(NC(=O)c3cc(N4CCCC4=O)cc1c3)C(O)C[NH2+]C1(CC1)c1cc(ccc1)C(C)C)ccc2 shows inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of 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 exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)C(O)C1[NH2+]CC(OCc2ncccc2)C1 exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of s1ccnc1-c1cc(cc(F)c1)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2 exhibits inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Fc1cc(cc(c1)C#C)CC(NC(=O)COC)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2 shows inhibition of the human beta-secretase 1 (BACE-1).

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The compound with the SMILES of Fc1cc(ccc1F)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2 shows inhibition of the human beta-secretase 1 (BACE-1).

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The chemical with the SMILES of 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 displays inhibition of the human beta-secretase 1 (BACE-1).

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