smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCc1c([O-])c2cccc3c4ccccc4n(c32)c1=O ZINC000005951303 181299815 /nfs/dbraw/zinc/29/98/15/181299815.db2.gz UYNIAVHLYAUTNI-UHFFFAOYSA-N -1 1 319.404 4.872 10 5 DJBEMM