smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S1(=O)C[C@H](O)[C@H](O)CS1 3951310 1389862732 /nfs/dbraw/zinc/86/27/32/1389862732.db2.gz HEDDKNPLYXIIDO-DMTCNVIQSA-N 0 0 184.238 -1.215 40 50 AAGBRN