smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNC(CO)(CO)CO ZINC000101144512 685056342 /nfs/dbraw/zinc/05/63/42/685056342.db2.gz DDILESBJYNMTPU-WDZFZDKYSA-N 0 2 335.316 -1.541 10 10 EACELN