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+]1CCN(c2ncnc(N3CC[NH+](C)CC3)c2[N+](=O)[O-])CC1 ZINC000005248201 290059495 /nfs/dbraw/zinc/05/94/95/290059495.db2.gz JBWKSDUANUQBDV-UHFFFAOYSA-N 2 2 321.385 -0.112 50 5 DBBALP