smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nonc1[N+](=O)N=C([O-])OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] ZINC000103534825 534972364 /nfs/dbraw/zinc/97/23/64/534972364.db2.gz ROZVEMYHBKSDHR-YFHOEESVSA-N 0 1 335.145 -0.407 10 10 EBCEMN