smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(Cl)cc(-c2cc(Cl)c(O)c(Cl)c2)cc1Cl ZINC000000294550 563932032 /nfs/dbraw/zinc/93/20/32/563932032.db2.gz YCYDXOVJXVALHY-UHFFFAOYSA-N -1 2 323.990 5.378 50 0 in-vivo DKAALM