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+](C)(C)CCSSCC[N+](C)(C)CCCCCCC ZINC000101011230 717144130 /nfs/dbraw/zinc/14/41/30/717144130.db2.gz VNNDBMLGPKYEBJ-UHFFFAOYSA-N 2 0 406.790 6.461 50 50 HKGARP