smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1/[NH+]=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000020418381 171183557 /nfs/dbraw/zinc/18/35/57/171183557.db2.gz YXFWFPCSDCGEMJ-GRDMYJHDSA-N 1 2 290.410 5.009 10 30 CKEELO