smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccc(OS(=O)(=O)C(F)(F)F)cc32)CC1 ZINC000014114286 563005484 /nfs/dbraw/zinc/00/54/84/563005484.db2.gz MTKHCEFATKQYMK-UHFFFAOYSA-N 0 0 474.892 3.951 10 70 JHIERN