smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2c(nc3c(=O)[n-]c(=O)nc-3n2C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)([O-])[O-])c(O)c1C ZINC000027414762 563043578 /nfs/dbraw/zinc/04/35/78/563043578.db2.gz YECUGDQQQBWPSE-ISTVAULSSA-N -3 0 472.347 -1.901 1 5 JABFRL O=c1c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2oc2c1c(O)cc(O)c2S(=O)(=O)[O-] ZINC000095910636 565178064 /nfs/dbraw/zinc/17/80/64/565178064.db2.gz PTYSSAGSVAYSDY-XFRIUUDKSA-N -3 0 486.407 -1.217 1 5 biogenic,in-vitro JABFRL