smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC1(OC(C)=O)Cc2c(O)c(O)c(n2OC(=O)c2ccccc2)C1 ZINC000104215427 209258954 /nfs/dbraw/zinc/25/89/54/209258954.db2.gz HJHJIHHVMPTNQS-GJZGRUSLSA-N -2 2 357.362 1.621 40 30 FDEBLL