smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC(=O)c1ccc([O-])c(O)c1)C(=O)CN1C(=O)C(=Cc2ccccc2)SC1=S ZINC000033542713 557409638 /nfs/dbraw/zinc/40/96/38/557409638.db2.gz PAZYIKIZGQXBRD-GIJQJNRQSA-N -1 1 442.518 2.640 10 10 IFCEMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1ccccc1Cl ZINC000041077949 522310444 /nfs/dbraw/zinc/31/04/44/522310444.db2.gz SUMPJPZMLRJARU-UHFFFAOYSA-N -1 1 432.885 2.721 10 10 IFCEMM