smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(C#N)=Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)o1 ZINC000059109309 264019813 /nfs/dbraw/zinc/01/98/13/264019813.db2.gz YEVLJGKHSCQNBY-UHFFFAOYSA-N -2 0 308.249 2.774 40 50 DFGBRL