smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nn3c(nc(C)cc3=O)[nH]2)cc1 ZINC000170601755 569243322 /nfs/dbraw/zinc/24/33/22/569243322.db2.gz LCHVZNSCNVVOSU-UHFFFAOYSA-N 0 2 400.420 -0.020 10 30 HBEELN