smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)Cc2ccccc2)cc1OC ZINC000004244692 568939830 /nfs/dbraw/zinc/93/98/30/568939830.db2.gz ZKXWXWJOMGXWCR-UHFFFAOYSA-N 0 1 425.506 4.238 30 0 IIACMN