smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c([O-])c(Cl)c(OC)cc1C2=O ZINC000084689975 563176319 /nfs/dbraw/zinc/17/63/19/563176319.db2.gz ZASRCJJQHPCHMP-ZDUSSCGKSA-N -1 2 434.872 4.509 1 10 IJCFLM