smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1-c1csc(NC(N)=[NH2+])n1 ZINC000027630935 179237296 /nfs/dbraw/zinc/23/72/96/179237296.db2.gz LLVXYMYECOBAHK-UHFFFAOYSA-N 1 1 232.312 2.023 30 30 BEECMO