smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]c1=O ZINC000013518240 560218269 /nfs/dbraw/zinc/21/82/69/560218269.db2.gz JIPUKSRBXPZDPW-RRKCRQDMSA-N -2 2 323.198 -2.002 1 0 in-vitro DAAFLL