smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O 70187087 343477707 /nfs/dbraw/zinc/47/77/07/343477707.db2.gz OIUIPKZPZSLXLK-UHFFFAOYSA-N -1 1 197.150 -0.357 20 5 ABBDMM O=C([O-])COC(=O)[C@@H]1CC1[N+](=O)[O-] 1595103110 951871028 /nfs/dbraw/zinc/87/10/28/951871028.db2.gz OFCHSLGOBYYRQH-QWWZWVQMSA-N -1 1 189.123 -0.721 20 5 ABBDMM O=[N+]([O-])c1cn(Cc2nn[n-]n2)cn1 1116217290 1427780411 /nfs/dbraw/zinc/78/04/11/1427780411.db2.gz RRZYLTXPFNMKQJ-UHFFFAOYSA-N -1 1 195.142 -0.647 20 5 ABBDMM