smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000412982147 191330163 /nfs/dbraw/zinc/33/01/63/191330163.db2.gz XNYMOQOUQXBLSH-UHFFFAOYSA-N -1 0 241.312 3.190 20 5 BGBDRM O=[N+]([O-])c1ccc([O-])cc1CSC1CCC1 ZINC000413005966 191338471 /nfs/dbraw/zinc/33/84/71/191338471.db2.gz XRDGCFJMMJQLFQ-UHFFFAOYSA-N -1 0 239.296 3.086 20 5 BGBDRM C/C=C\CSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000593189246 347869681 /nfs/dbraw/zinc/86/96/81/347869681.db2.gz YZRXAIZIANDTQB-IHWYPQMZSA-N -1 0 239.296 3.110 20 5 BGBDRM C/C=C/CSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000593189247 347869433 /nfs/dbraw/zinc/86/94/33/347869433.db2.gz YZRXAIZIANDTQB-NSCUHMNNSA-N -1 0 239.296 3.110 20 5 BGBDRM