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(=C/c2ccc([N+](=O)[O-])o2)c(=O)[nH]/c1=C/c1ccc([N+](=O)[O-])o1 ZINC000016430397 484605297 /nfs/dbraw/zinc/60/52/97/484605297.db2.gz VXRKEAQZQIFGCN-NXZHAISVSA-N 0 1 360.238 -0.277 40 5 FBBBMN O=C([O-])c1nn(-c2ccc([N+](=O)[O-])cc2)nc1N1CC[NH+](CCO)CC1 ZINC000256048845 484753009 /nfs/dbraw/zinc/75/30/09/484753009.db2.gz WPHUYONSEOEFGW-UHFFFAOYSA-N 0 1 362.346 -0.012 40 5 FBBBMN O=C([O-])c1nn(-c2ccccc2[N+](=O)[O-])nc1N1CC[NH+](CCO)CC1 ZINC000256048888 484753128 /nfs/dbraw/zinc/75/31/28/484753128.db2.gz WWQWKFZLEMTXSH-UHFFFAOYSA-N 0 1 362.346 -0.012 40 5 FBBBMN O=C([O-])c1nn(-c2cccc([N+](=O)[O-])c2)nc1N1CC[NH+](CCO)CC1 ZINC000256049194 484752781 /nfs/dbraw/zinc/75/27/81/484752781.db2.gz YUAFJGXAUQKBAB-UHFFFAOYSA-N 0 1 362.346 -0.012 40 5 FBBBMN