smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(C(F)(F)F)nc(O)c1C1CCC1 ZINC000217716882 183307552 /nfs/dbraw/zinc/30/75/52/183307552.db2.gz WCTCECVJEVLTNK-UHFFFAOYSA-N -1 2 234.177 2.174 40 70 BEIBLM