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Substructure Search
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Cc1nc2c(c(Nc3ncc(C)s3)n1)CCN(C(=O)CCc1ccccc1)C2
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Cc1cccc(NC(=O)CN2CCN(c3ccc4c(c3)OCCO4)C2=O)n1
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COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2cccs2)C1
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COc1ccc(NC(=O)N2CCN(C(=O)Cc3csc4ccccc34)CC2)cc1OC
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O=C(NCCCc1ccccc1)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1
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COC(=O)c1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@H](C)C4)c23)cc1
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C#CCOc1ccccc1CN1CCN(C2=[NH+]C[C@@H](C)S2)CC1
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NC1=NC(=O)[C@H](CC(=O)N2CC[C@H](c3ccccc3)C2)S1
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O=C(Cn1nnn(-c2cccs2)c1=O)NC[C@@H]1CN(Cc2ccccc2)CCO1
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Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)cc1
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Substructure Search
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CCCCOc1ccccc1/C=C1\SC(N2CCC(C)CC2)=NC1=O
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PAINS
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C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(C(=O)NC2CC2)C1
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