smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)Nc2nccc(Br)c2O)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001301837567 1066808907 /nfs/dbraw/zinc/80/89/07/1066808907.db2.gz MBKGYCURSUTLOE-UHFFFAOYSA-N -1 2 454.224 3.372 20 0 JGADLM CC(C)c1nc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)n[nH]1 ZINC001298417790 1064243549 /nfs/dbraw/zinc/24/35/49/1064243549.db2.gz ZFACZCFCQGQXMH-UHFFFAOYSA-N -1 2 451.911 3.451 20 0 JGADLM