smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=C([O-])c1ccc(F)cc1 ZINC000100404963 559134890 /nfs/dbraw/zinc/13/48/90/559134890.db2.gz ISZHSWWOBUOEFV-BUHFOSPRSA-N -1 2 405.179 3.140 10 0 HGAELM Cc1cccc2sc(=NNc3ccc([NH2+]CCS(=O)(=O)[O-])cc3C(=O)[O-])[nH]c21 ZINC000198755771 569359595 /nfs/dbraw/zinc/35/95/95/569359595.db2.gz CNNUZTKKVHUPLL-UHFFFAOYSA-N -1 2 422.488 3.042 10 0 HGAELM Cc1ccc(C([O-])=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000100404954 559134893 /nfs/dbraw/zinc/13/48/93/559134893.db2.gz OZZHRRJBERWPMY-CCEZHUSRSA-N -1 2 401.216 3.310 10 0 HGAELM