smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000218640039 570338353 /nfs/dbraw/zinc/33/83/53/570338353.db2.gz WHOSVEFCQYTLMW-UHFFFAOYSA-N -1 3 388.489 4.022 40 70 GIIBHM