smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc2c(O)csc2c1 343064 351276105 /nfs/dbraw/zinc/27/61/05/351276105.db2.gz IKSIVAMIINQNBN-UHFFFAOYSA-N 0 1 194.255 3.006 50 10 AGCAMN