smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]ncc1CCCNC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000159598292 377308505 /nfs/dbraw/zinc/30/85/05/377308505.db2.gz DOGAULWZPHFEKC-UHFFFAOYSA-N 0 2 340.409 -0.521 20 70 EBIDLN