smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC[N+](C)(C)CCSSCC[N+](C)(C)CCCCCCCC ZINC000101011235 717144187 /nfs/dbraw/zinc/14/41/87/717144187.db2.gz SVGNDURHFRBFAR-UHFFFAOYSA-N 2 0 434.844 7.242 50 50 IKGARP