smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnn(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000160729454 551584972 /nfs/dbraw/zinc/58/49/72/551584972.db2.gz VHNYYVXDBIAOOU-UHFFFAOYSA-N -1 1 396.669 2.725 10 70 GFIEMM Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3ccc(Br)c([O-])c3)C2)n1 ZINC000160440458 551580773 /nfs/dbraw/zinc/58/07/73/551580773.db2.gz MLCSZHCEHHPCAA-ZDUSSCGKSA-N -1 1 393.285 2.915 10 70 GFIEMM Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3ccc(Br)c([O-])c3)C2)n1 ZINC000160440319 551580431 /nfs/dbraw/zinc/58/04/31/551580431.db2.gz MLCSZHCEHHPCAA-CYBMUJFWSA-N -1 1 393.285 2.915 10 70 GFIEMM