smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(O)c(F)c2)CC1 ZINC000159725385 495794946 /nfs/dbraw/zinc/79/49/46/495794946.db2.gz GQDGKYYPFPBYMN-ZDUSSCGKSA-N -1 2 363.458 3.181 20 70 FGIDLM Cc1ccc(O)c(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)n1 ZINC000161438292 496176356 /nfs/dbraw/zinc/17/63/56/496176356.db2.gz YDJCCDPNGDVVKA-UHFFFAOYSA-N -1 2 354.237 3.473 20 70 FGIDLM C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(O)c(F)c2)CC1 ZINC000159725515 495795280 /nfs/dbraw/zinc/79/52/80/495795280.db2.gz GQDGKYYPFPBYMN-CYBMUJFWSA-N -1 2 363.458 3.181 20 70 FGIDLM