smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]CC(F)(F)F)NCCO ZINC000160657800 387448665 /nfs/dbraw/zinc/44/86/65/387448665.db2.gz JPIDLSWAKLRIRE-UHFFFAOYSA-N -1 0 222.188 -1.035 20 70 BAIDRM