smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1c(=O)n(C)c(=O)n(Cc2cc3c(cc2Br)OCO3)c1=O 4727718 KFJFOJXJYQZVLQ-UHFFFAOYSA-N 370.159 -0.215 0 50 FBAA CN1CCN(c2ccc(C(=O)N3CCN4CCNC(=O)[C@H]4C3)cc2)CC1 65508209 ZXDFQDVUMHLCBP-QGZVFWFLSA-N 357.458 -0.305 0 50 FBAA Cc1cccnc1CN1CCN(C(=O)CCn2ccc(=O)[nH]c2=O)CC1 72463636 SGQJXVGRUWCVRP-UHFFFAOYSA-N 357.414 -0.025 0 50 FBAA Cn1c(=O)[nH]cc(CC(=O)N2CCN(Cc3ccccc3F)C(=O)C2)c1=O 77288100 WSIWHVCIBXXQAW-UHFFFAOYSA-N 374.372 -0.374 0 50 FBAA COc1ncc(C(=O)N2CC[C@@]3(O)CCN(C(C)=O)C[C@H]3C2)nc1OC 91304370 SYABIELDOFZSTO-SJCJKPOMSA-N 364.402 -0.061 0 50 FBAA CCCN1CCC[C@]2(CCN(S(=O)(=O)c3cnc(O)[nH]c3=O)C2)C1=O 91770458 VHIXMJVDEHRPFF-OAHLLOKOSA-N 370.431 -0.111 0 50 FBAA CCNC(=O)[C@@H]1C[C@@H](NC(=O)CO)CN1C(=O)CCc1ccc(O)cc1 96137761 HGEPBCMEEQMXOH-HIFRSBDPSA-N 363.414 -0.461 0 50 FBAA Cc1ccc(C(=O)N2CCN(C(=O)N(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cn1 212002017 BBTIYNNAQKKZBI-KGLIPLIRSA-N 366.443 -0.005 0 50 FBAA 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