smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)NCCC[NH3+])O2)c(=O)[nH]c1=O ZINC000027873741 204869961 /nfs/dbraw/zinc/86/99/61/204869961.db2.gz CANSMJWSWLQONU-GMTAPVOTSA-N 1 0 367.366 -0.114 1 10 FBCFRO