smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N\c2ccccc2[S-])cc1 ZINC000104203846 570272614 /nfs/dbraw/zinc/27/26/14/570272614.db2.gz WHMNYDFSNPQMJK-STZFKDTASA-N -2 1 382.510 4.835 40 30 GJEBML Cc1ccc([O-])c([N+](=O)N=C2[CH]C=CC=C2N=Nc2c([O-])ccc3ccccc32)c1 ZINC000330094182 570997120 /nfs/dbraw/zinc/99/71/20/570997120.db2.gz PMLAFPVSMDKJHO-UHFFFAOYSA-O -2 1 398.422 4.744 40 30 GJEBML