smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1 ZINC000085540154 562753169 /nfs/dbraw/zinc/75/31/69/562753169.db2.gz FPNPSEMJLALQSA-MIYUEGBISA-N -4 0 773.324 -2.872 20 0 investigational KAADRL