smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCCC[C@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000513462946 333021290 /nfs/dbraw/zinc/02/12/90/333021290.db2.gz HULIBTMHTZJFHS-KRWDZBQOSA-N 1 3 292.511 4.508 20 30 CJEDHO C=CCCCC[C@@H](C)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000513462950 333021175 /nfs/dbraw/zinc/02/11/75/333021175.db2.gz HULIBTMHTZJFHS-QGZVFWFLSA-N 1 3 292.511 4.508 20 30 CJEDHO