smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc([N+](=O)[O-])c1 ZINC000766956015 939078882 /nfs/dbraw/zinc/07/88/82/939078882.db2.gz DCOZPMMWETWPRH-AWEZNQCLSA-N -1 0 414.342 1.832 20 5 HDBDRM O=C([O-])[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000428034979 939147259 /nfs/dbraw/zinc/14/72/59/939147259.db2.gz FCKWVQKUAQQANK-MRXNPFEDSA-N -1 0 407.404 1.205 20 5 HDBDRM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000790630374 939155774 /nfs/dbraw/zinc/15/57/74/939155774.db2.gz RTRKLBAVDQVOHP-MRXNPFEDSA-N -1 0 415.424 1.337 20 5 HDBDRM CS(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)cc([N+](=O)[O-])c1 ZINC000610845937 939807735 /nfs/dbraw/zinc/80/77/35/939807735.db2.gz HUXUREJPUBBQDI-GOSISDBHSA-N -1 0 404.400 1.654 20 5 HDBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)c([N+](=O)[O-])c1 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