smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000562010825 1068652404 /nfs/dbraw/zinc/65/24/04/1068652404.db2.gz OLVRCWCGULTLQA-IBGZPJMESA-N 2 1 400.527 -0.190 20 30 HBEDMP CN(C)/C=[NH+]/c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1C#N ZINC001171264499 1071077247 /nfs/dbraw/zinc/07/72/47/1071077247.db2.gz JBPIPSRTUSHPII-UZSGQPGTSA-N 2 1 413.438 -0.342 20 30 HBEDMP