smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000034803911 356820453 /nfs/dbraw/zinc/82/04/53/356820453.db2.gz ITCAYUFDTCVNTE-UHFFFAOYSA-N -2 2 290.189 1.348 50 30 CDEALL CCCCCCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O ZINC000034803911 356820459 /nfs/dbraw/zinc/82/04/59/356820459.db2.gz ITCAYUFDTCVNTE-UHFFFAOYSA-N -2 2 290.189 1.348 50 30 CDEALL O=[N+]([O-])c1ccc(O)c(C=NNc2n[nH]c(=S)[nH]2)c1 ZINC000036610902 362205148 /nfs/dbraw/zinc/20/51/48/362205148.db2.gz ATSYAVAIEONEQW-ONNFQVAWSA-N -2 2 280.269 1.527 50 30 CDEALL