smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000408853958 556871731 /nfs/dbraw/zinc/87/17/31/556871731.db2.gz UHBLKGODDVDYQK-GZTJUZNOSA-N -1 2 436.420 2.554 40 30 IFEBLM