smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[C@@H]3CC(=O)C(=O)[C@@H](C)O3)O2)c(=O)[nH]c1=O ZINC000008220607 560207594 /nfs/dbraw/zinc/20/75/94/560207594.db2.gz FHKRUUVTZNTHKJ-NJIBTWPXSA-N -2 0 528.300 -0.983 10 10 in-vitro KBCERL Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[C@@H]3CC(=O)C(=O)[C@H](C)O3)O2)c(=O)[nH]c1=O ZINC000008436940 560208963 /nfs/dbraw/zinc/20/89/63/560208963.db2.gz FHKRUUVTZNTHKJ-MAMCYAMTSA-N -2 0 528.300 -0.983 10 10 in-vitro KBCERL