smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)N1CCc2c(c(N3CCCc4cc(Br)c(C(F)F)cc43)nn2C2CCOCC2)C1 1777699156 OEMRJTWUTDGEIQ-UHFFFAOYSA-N 509.395 4.924 10 20 KJCD COc1ccc(CN(CC(=O)O)C(=O)[C@@H](CC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)OC(C)(C)C)c(O)c1 250591828 LWUSYGZNOXUICZ-QFIPXVFZSA-N 603.668 4.908 10 20 KJCD Cc1c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cnn1-c1ccc(Cl)cc1 800728452 PKRJSEMMUPEFFP-UHFFFAOYSA-N 500.005 4.643 10 20 KJCD CC(C)(C)OC(=O)N1CCN(c2ccc(/N=[N+](\[O-])c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2)CC1 2048532410 LQZXWEYAFUPXSF-WWIWEHRJSA-N 568.679 4.517 10 20 KJCD CC(=O)N[C@@H]1[C@@H](N=[N+]=[N-])O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 1076498663 XOOBJDMHDWWHLZ-ZIUUJSQJSA-N 516.598 4.914 10 20 KJCD Nc1ccc(OCC(COc2ccc(N)cc2)(COc2ccc(N)cc2)COc2ccc(N)cc2)cc1 141653935 LZPXYTDULSDCHB-UHFFFAOYSA-N 500.599 4.618 10 20 KJCD