smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1CN1C(=O)c2ccccc2C1=O ZINC000034746642 562040412 /nfs/dbraw/zinc/04/04/12/562040412.db2.gz AEJUHQARWADPLL-OEAKJJBVSA-N -1 0 509.518 4.615 10 10 KJCERM