smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc([N+](=O)[O-])c(O)cc1F ZINC000097447134 384214084 /nfs/dbraw/zinc/21/40/84/384214084.db2.gz MIYOJWIYWUTYKP-UHFFFAOYSA-N -1 2 201.109 1.138 40 5 BDBBLM O=C([O-])/C=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000002504916 386117807 /nfs/dbraw/zinc/11/78/07/386117807.db2.gz HCGMDTLRKLJPHE-DUXPYHPUSA-N -1 2 209.157 1.398 40 5 BDBBLM O=C([O-])/C=C/c1ccc([N+](=O)[O-])c(O)c1 ZINC000038863381 388406027 /nfs/dbraw/zinc/40/60/27/388406027.db2.gz UCDHERSZARNKOB-DUXPYHPUSA-N -1 2 209.157 1.398 40 5 BDBBLM O=C([O-])c1c(F)ccc([N+](=O)[O-])c1O ZINC000097447143 384206629 /nfs/dbraw/zinc/20/66/29/384206629.db2.gz UERRYAMICLGJBJ-UHFFFAOYSA-N -1 2 201.109 1.138 40 5 BDBBLM O=C([O-])c1cc(F)c(O)c([N+](=O)[O-])c1 ZINC000145955896 345233301 /nfs/dbraw/zinc/23/33/01/345233301.db2.gz JGABJUOSCZREIE-UHFFFAOYSA-N -1 2 201.109 1.138 40 5 BDBBLM O=C([O-])/C=C/c1cccc([N+](=O)[O-])c1O ZINC000002504918 386118202 /nfs/dbraw/zinc/11/82/02/386118202.db2.gz NBECSRZXAMQLLS-SNAWJCMRSA-N -1 2 209.157 1.398 40 5 BDBBLM