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[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2OCc2ccc3ccccc3c2)[nH]1 ZINC000409325694 559247870 /nfs/dbraw/zinc/24/78/70/559247870.db2.gz ZSFIEUSRUWGAMJ-VAWYXSNFSA-N -2 0 415.405 4.699 40 5 HJBBRL O=c1[n-]c(C=Cc2ccc(OCc3cccc4ccccc43)cc2)nc([O-])c1[N+](=O)[O-] ZINC000409331691 560710422 /nfs/dbraw/zinc/71/04/22/560710422.db2.gz OZMZMSBKYCKCRE-RAXLEYEMSA-N -2 0 415.405 4.699 40 5 HJBBRL O=c1[n-]c(C=Cc2cccc(OCc3cccc4ccccc43)c2)nc([O-])c1[N+](=O)[O-] ZINC000409340525 559247773 /nfs/dbraw/zinc/24/77/73/559247773.db2.gz YNMHYZTYVPIFGK-QXMHVHEDSA-N -2 0 415.405 4.699 40 5 HJBBRL O=c1[n-]c(C=Cc2ccc(OCc3ccc4ccccc4c3)cc2)nc([O-])c1[N+](=O)[O-] ZINC000409347813 560713110 /nfs/dbraw/zinc/71/31/10/560713110.db2.gz MXRBTFIFWROBGO-XYOKQWHBSA-N -2 0 415.405 4.699 40 5 HJBBRL O=c1[n-]c(C=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)nc([O-])c1[N+](=O)[O-] ZINC000409328933 559247884 /nfs/dbraw/zinc/24/78/84/559247884.db2.gz ARHMOTOUSGEPBZ-JXMROGBWSA-N -2 0 422.828 4.623 40 5 HJBBRL