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)O2)c(=O)nc1N ZINC000008219122 560207330 /nfs/dbraw/zinc/20/73/30/560207330.db2.gz SHFOWZBOBJJZAP-XLPZGREQSA-N -2 1 401.205 -0.991 10 0 in-vitro HBAEML Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)nc1N ZINC000008219122 560207328 /nfs/dbraw/zinc/20/73/28/560207328.db2.gz SHFOWZBOBJJZAP-XLPZGREQSA-N -2 1 401.205 -0.991 10 0 in-vitro HBAEML