smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1C(=O)[O-] ZINC000216778293 388359546 /nfs/dbraw/zinc/35/95/46/388359546.db2.gz QNJFSTJXSWCHBJ-UHFFFAOYSA-N -1 2 245.618 2.269 40 5 BEBBLM O=C([O-])c1cc([N+](=O)[O-])c(O)c2ccccc12 ZINC000001593850 356983673 /nfs/dbraw/zinc/98/36/73/356983673.db2.gz OOEYTWUOZZLXNQ-UHFFFAOYSA-N -1 2 233.179 2.152 40 5 BEBBLM CC(C)c1cc(C=O)c([O-])c([N+](=O)[O-])c1 ZINC000063926346 167569840 /nfs/dbraw/zinc/56/98/40/167569840.db2.gz YCZJAUBIQJJCRJ-UHFFFAOYSA-N -1 2 209.201 2.236 40 5 BEBBLM