smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN1CCC[C@@H](c2ccc(OS(=O)(=O)C(F)(F)F)c(OS(=O)(=O)C(F)(F)F)c2)C1 ZINC000036216535 563124381 /nfs/dbraw/zinc/12/43/81/563124381.db2.gz DDEDFIYGQWYHBZ-GFCCVEGCSA-N 0 3 499.451 3.733 1 70 JHIFHN