smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(O)c2c(O)c3c(c(O)c2c1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000005956181 560203968 /nfs/dbraw/zinc/20/39/68/560203968.db2.gz UUAGKLUSYOOORZ-UHFFFAOYSA-N 0 2 408.362 2.787 1 10 in-vitro HFCFLN