smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSC(=S)[N-]c1ccc(NC(=S)SC)cc1 ZINC000003622489 570279249 /nfs/dbraw/zinc/27/92/49/570279249.db2.gz LCYNNKKLPFFRDE-UHFFFAOYSA-N -1 2 288.488 3.806 40 0 CHABLM