smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC[N@@H+](C)C(C)(C)CC ZINC001169943083 760998502 /nfs/dbraw/zinc/99/85/02/760998502.db2.gz RHUAAYGUHPHZCI-UHFFFAOYSA-N 1 1 199.382 4.077 20 30 AIEDMO CCCCCCCC[N@@H+](C)C(C)(C)C ZINC001201825670 761809597 /nfs/dbraw/zinc/80/95/97/761809597.db2.gz BTXXYISTEKXNPJ-UHFFFAOYSA-N 1 1 199.382 4.077 20 30 AIEDMO