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(CN1CC[NH2+]CC1=O)NCc1c(O)cccc1F ZINC001354865533 891625144 /nfs/dbraw/zinc/62/51/44/891625144.db2.gz RHFPOKXBCXAESZ-UHFFFAOYSA-N -1 2 281.287 -0.421 20 10 CBCDLM