smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C\N=C=O)c1ccc(Cl)cc1 259525529 573603114 /nfs/dbraw/zinc/60/31/14/573603114.db2.gz ARVNCBJAZJNNDY-SOFGYWHQSA-N 0 0 193.633 3.037 10 50 AGGERN