smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC1CC[NH+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821583243 945725341 /nfs/dbraw/zinc/72/53/41/945725341.db2.gz NLYFMGXULCTMGC-UHFFFAOYSA-N 2 1 386.460 -0.099 20 50 GBGDMP C[NH+](C)CC1CC[NH+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821583555 945724878 /nfs/dbraw/zinc/72/48/78/945724878.db2.gz ZLKVBDNTNPAPAL-UHFFFAOYSA-N 2 1 386.460 -0.099 20 50 GBGDMP