smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(O)c(/C=N/c2cc(Cl)ccc2[O-])c(C)c1Cl ZINC000000059435 563515909 /nfs/dbraw/zinc/51/59/09/563515909.db2.gz JKLMQQLAMWBLRD-CNHKJKLMSA-N -2 1 310.180 4.772 50 30 DJEAML