smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OP(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000106127044 571411338 /nfs/dbraw/zinc/41/13/38/571411338.db2.gz ILRZFIPCLRPFIC-UHFFFAOYSA-N 0 2 510.105 5.581 30 30 KKECLN