smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cc(-c2ccccc2)c(=O)[n-]c1[O-] ZINC000006493998 181080656 /nfs/dbraw/zinc/08/06/56/181080656.db2.gz ZGXFKVQVZHBJDN-UHFFFAOYSA-N -2 1 212.208 2.031 50 30 BEEAML