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+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513462946 333021289 /nfs/dbraw/zinc/02/12/89/333021289.db2.gz HULIBTMHTZJFHS-KRWDZBQOSA-N 2 0 292.511 4.508 20 30 CJEDRP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000513462950 333021173 /nfs/dbraw/zinc/02/11/73/333021173.db2.gz HULIBTMHTZJFHS-QGZVFWFLSA-N 2 0 292.511 4.508 20 30 CJEDRP