smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCC/C(=N\[O-])c1ccccc1 ZINC000223265892 353521128 /nfs/dbraw/zinc/52/11/28/353521128.db2.gz LXSBGXHGVMTEGU-WUKNDPDISA-N -1 3 247.382 5.006 10 30 BKEEHM