smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])[nH]1 ZINC000105433610 488509682 /nfs/dbraw/zinc/50/96/82/488509682.db2.gz DLGDSYKXOPUFPP-OWOJBTEDSA-N -1 2 365.214 0.664 40 5 FCBBLM