smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2csc(NS(C)(=O)=O)n2)cc1N ZINC000217690020 359019841 /nfs/dbraw/zinc/01/98/41/359019841.db2.gz OIORLCBVQGYJOV-UHFFFAOYSA-N 0 2 299.377 1.772 40 70 CDIBLN