smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cc(Cl)ccc1[O-] ZINC000013549118 558538673 /nfs/dbraw/zinc/53/86/73/558538673.db2.gz ZXVYREMOJQRTIR-ZROIWOOFSA-N -2 1 406.667 4.527 40 10 HJCBML Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409331877 560710389 /nfs/dbraw/zinc/71/03/89/560710389.db2.gz PEGGGQLMLCSKOD-ZZXKWVIFSA-N -2 1 421.240 4.681 40 10 HJCBML