smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(Br)cc(Br)cc1CNc1ccc(Cl)cc1 ZINC000072140842 205308967 /nfs/dbraw/zinc/30/89/67/205308967.db2.gz DEXWKKRKYXYERD-UHFFFAOYSA-N -1 1 391.490 5.183 1 10 GKCFMM [O-]c1c(Cl)cccc1CN(Cc1ccc(O)cc1)C(=S)Nc1ccccc1 ZINC000045352014 205096500 /nfs/dbraw/zinc/09/65/00/205096500.db2.gz UWNCZMKPXVIIEH-UHFFFAOYSA-N -1 1 398.915 5.150 1 10 GKCFMM Cc1ccc(Cl)c(Nc2ccccc2C=C2SC(=S)[N-]C2=O)c1Cl ZINC000001534325 209332579 /nfs/dbraw/zinc/33/25/79/209332579.db2.gz VFHQMOPQDPVAMG-JYRVWZFOSA-N -1 1 395.336 5.534 1 10 GKCFMM