smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(C2CCCCC2)cc1 ZINC000026254280 202139845 /nfs/dbraw/zinc/13/98/45/202139845.db2.gz NXDPFRXTKALLSM-UHFFFAOYSA-N -1 1 338.333 4.508 20 30 EJEDMM