smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1c(C)nc(SCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[n-]c1=O ZINC000022134093 570796874 /nfs/dbraw/zinc/79/68/74/570796874.db2.gz AKBQJOLPHXDXRM-UHFFFAOYSA-N -2 1 392.393 2.390 40 5 GEBBML