smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(Br)c([O-])c(/C=N\c2ccc(Cl)cc2[O-])c1 ZINC000409104002 570722504 /nfs/dbraw/zinc/72/25/04/570722504.db2.gz YAAJVMCPONRTJN-SOFYXZRVSA-N -2 1 371.574 4.173 40 30 FIEBML O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccc(Cl)cc2[O-])c1[O-] ZINC000409107474 570727111 /nfs/dbraw/zinc/72/71/11/570727111.db2.gz VXUVJSDCJSNVEN-SOFYXZRVSA-N -2 1 371.574 4.173 40 30 FIEBML