smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1n[nH]c(N=Nc2c(=O)[n-]c(=S)[nH]c2[O-])n1 ZINC000016382822 260098906 /nfs/dbraw/zinc/09/89/06/260098906.db2.gz PGZXDIBLKAYTQK-UHFFFAOYSA-N -3 1 283.229 -1.358 40 30 CAEBML