smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H](NC(=O)NCc1ccc(S(=O)(=O)N=C(O)N[C@H](C(=O)[O-])C(C)C)cc1)C(=O)[O-] ZINC000020503717 519819163 /nfs/dbraw/zinc/81/91/63/519819163.db2.gz GIRZSOICQMUWHA-GJZGRUSLSA-N -2 2 472.520 0.897 50 30 JCEALL