smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cc(C2(c3cc(C(C)C)c(O)c(S(=O)(=O)[O-])c3)OS(=O)(=O)c3ccccc32)cc(S(=O)(=O)[O-])c1O ZINC000068601027 553592411 /nfs/dbraw/zinc/59/24/11/553592411.db2.gz MVZLSVMTPUZUAI-UHFFFAOYSA-N -2 0 598.673 3.849 10 30 KHEERL CC(=O)Nc1ccc(S(=O)(=O)[O-])c2c1C(=O)C(=NNc1ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)c3ccc(S(=O)(=O)[O-])cc13)C(S(=O)(=O)[O-])=C2 ZINC000169357861 562863962 /nfs/dbraw/zinc/86/39/62/562863962.db2.gz GLYGUVLXVFKNKD-HEDYODHQSA-N -4 0 779.765 3.847 10 30 KHEERL