smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=S)c1cnn(C(F)(F)F)c1 217571739 169168472 /nfs/dbraw/zinc/16/84/72/169168472.db2.gz ZDPJEDGNVJGQOY-UHFFFAOYSA-N 0 2 195.169 0.994 40 70 ACIBLN