smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036340242 569078663 /nfs/dbraw/zinc/07/86/63/569078663.db2.gz LDZQOYBSMUUJMT-NRFANRHFSA-N 2 2 427.549 3.266 50 5 IGBALP CCCC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036340243 569078668 /nfs/dbraw/zinc/07/86/68/569078668.db2.gz LDZQOYBSMUUJMT-OAQYLSRUSA-N 2 2 427.549 3.266 50 5 IGBALP