smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(CSc2nc3ccccc3c3[nH+]c4ccccc4n32)cs1 ZINC000004246571 568376286 /nfs/dbraw/zinc/37/62/86/568376286.db2.gz YCKGTXASYFYDLG-UHFFFAOYSA-N 1 2 362.483 5.093 20 5 FKBDLO