smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCNC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000218073040 571603149 /nfs/dbraw/zinc/60/31/49/571603149.db2.gz OUEWUOLBYMOOGH-FQEVSTJZSA-N 0 0 513.591 2.428 50 70 KEIARN