smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000195505485 562872060 /nfs/dbraw/zinc/87/20/60/562872060.db2.gz QLUJJUWCLAZBOA-KKPKCPPISA-N 1 3 600.633 -0.296 1 5 KBBFHO