smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1nc(CCCC)c(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=O)[n-]1 ZINC000003651471 569587455 /nfs/dbraw/zinc/58/74/55/569587455.db2.gz UKEZYWUWLICNPR-UHFFFAOYSA-N -2 3 442.567 4.893 20 0 investigational IJADHL O=S(=O)([N-]c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)c1cccc2ccccc21 ZINC000061947369 563151470 /nfs/dbraw/zinc/15/14/70/563151470.db2.gz CYYVGYOQNIKMRG-UHFFFAOYSA-N -2 3 449.372 4.953 20 0 IJADHL