smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(OCC(=O)[O-])cc(C)c1Cc1cc(-c2ccc([N+](=O)[O-])cc2)c(O)c(C(C)C)c1 ZINC000013475084 562988797 /nfs/dbraw/zinc/98/87/97/562988797.db2.gz PBZAEAFSLYJVGD-UHFFFAOYSA-N -1 0 449.503 5.762 20 5 IKBDRM