smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[P@@]([O-])(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000072400092 527156463 /nfs/dbraw/zinc/15/64/63/527156463.db2.gz FZTRDYSPWWJCOF-UHFFFAOYSA-N -1 2 444.080 4.225 10 30 in-vitro IIEELM O=[P@]([O-])(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000072400092 527156465 /nfs/dbraw/zinc/15/64/65/527156465.db2.gz FZTRDYSPWWJCOF-UHFFFAOYSA-N -1 2 444.080 4.225 10 30 in-vitro IIEELM