smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1[n-]nc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1[N+](=O)[O-] ZINC000008450363 204277110 /nfs/dbraw/zinc/27/71/10/204277110.db2.gz ZFDFIAYSTPISLG-UHFFFAOYSA-N -1 3 397.394 1.592 50 5 GDBAHM COc1n[n-]c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1[N+](=O)[O-] ZINC000008450363 204277114 /nfs/dbraw/zinc/27/71/14/204277114.db2.gz ZFDFIAYSTPISLG-UHFFFAOYSA-N -1 3 397.394 1.592 50 5 GDBAHM CNS(=O)(=O)c1ccc(Sc2n[n-]c([C@H]3CCCO3)n2)c([N+](=O)[O-])c1 ZINC000012847814 530557400 /nfs/dbraw/zinc/55/74/00/530557400.db2.gz OGNCBPBIYUAOLU-SNVBAGLBSA-N -1 3 385.427 1.624 50 5 GDBAHM CCOc1cc([C@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc([N+](=O)[O-])c1[O-] ZINC000015016772 570792948 /nfs/dbraw/zinc/79/29/48/570792948.db2.gz ATDDEYHHVLYQDE-ZDUSSCGKSA-N -1 3 375.341 1.753 50 5 GDBAHM CCOc1cc([C@@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc([N+](=O)[O-])c1[O-] ZINC000015016771 570805981 /nfs/dbraw/zinc/80/59/81/570805981.db2.gz ATDDEYHHVLYQDE-CYBMUJFWSA-N -1 3 375.341 1.753 50 5 GDBAHM CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000034924586 570810101 /nfs/dbraw/zinc/81/01/01/570810101.db2.gz UYRCRPXKGACVJM-ZDUSSCGKSA-N -1 3 375.341 1.753 50 5 GDBAHM Cc1nn(C[C@@H](C)C(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000006526396 204182619 /nfs/dbraw/zinc/18/26/19/204182619.db2.gz XMXDUCNHSBNERN-FUXBKTLASA-N -1 3 377.323 1.903 50 5 GDBAHM Cc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1S(=O)(=O)N1CCOCC1 ZINC000009127688 204299988 /nfs/dbraw/zinc/29/99/88/204299988.db2.gz RIFOOSMXVQQMSE-UHFFFAOYSA-N -1 3 395.393 1.769 50 5 GDBAHM Cc1c(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cccc1[N+](=O)[O-] ZINC000014287361 530560584 /nfs/dbraw/zinc/56/05/84/530560584.db2.gz SYINDOURPIRKCG-UHFFFAOYSA-N -1 3 383.158 1.154 50 5 GDBAHM COc1ccc([N+](=O)[O-])c(OC)c1C(=O)[N-]C(=O)Nc1nc(C)nc(C)n1 ZINC000008626762 204282023 /nfs/dbraw/zinc/28/20/23/204282023.db2.gz IJJARNNPOSVFNR-UHFFFAOYSA-N -1 3 376.329 1.376 50 5 GDBAHM CCN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@@H]2C1 ZINC000036319061 205010694 /nfs/dbraw/zinc/01/06/94/205010694.db2.gz OFMVHXRWZWKHGH-KBXCAEBGSA-N -1 3 387.396 1.196 50 5 GDBAHM COC(=O)c1ccccc1[N-]c1c([N+](=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000008773281 204290196 /nfs/dbraw/zinc/29/01/96/204290196.db2.gz RNAVXDBSVJIZJM-UHFFFAOYSA-N -1 3 385.336 1.071 50 5 GDBAHM CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)c2c(=O)[n-]c(=O)[nH]c2N1 ZINC000005444599 570595280 /nfs/dbraw/zinc/59/52/80/570595280.db2.gz DNMQIMGYFNWYGZ-ZDUSSCGKSA-N -1 3 386.364 1.754 50 5 GDBAHM Cc1c([O-])nc(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[nH]c1=O ZINC000101825117 570835898 /nfs/dbraw/zinc/83/58/98/570835898.db2.gz NGJPJNMOLRVORY-UHFFFAOYSA-N -1 3 387.396 1.006 50 5 GDBAHM COc1ccc(C2=NOC3=C([O-])N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1OC ZINC000102550467 570853925 /nfs/dbraw/zinc/85/39/25/570853925.db2.gz RVJLFDUNQAHSQX-NVXWUHKLSA-N -1 3 397.343 1.905 50 5 GDBAHM Cc1nn(C[C@H](C)C(=O)N2NC(C)=C[C@]2([O-])C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000006526428 204182847 /nfs/dbraw/zinc/18/28/47/204182847.db2.gz XMXDUCNHSBNERN-CPFSXVBKSA-N -1 3 377.323 1.903 50 5 GDBAHM COc1ccc([N+](=O)[O-])cc1-n1c([O-])c2onc(-c3c(C)nn(C)c3C)c2c1O ZINC000102723333 570858519 /nfs/dbraw/zinc/85/85/19/570858519.db2.gz LFBTWLFHHRIBMD-ZBFHGGJFSA-N -1 3 399.363 1.246 50 5 GDBAHM CCCc1cc2c(nc(C)n([N-]C(=O)Cn3cc([N+](=O)[O-])cn3)c2=O)s1 ZINC000008455468 204277216 /nfs/dbraw/zinc/27/72/16/204277216.db2.gz KJUFWZOXTHXQCI-UHFFFAOYSA-N -1 3 376.398 1.594 50 5 GDBAHM COC(=O)c1ccccc1-n1c([O-])c2onc(-c3cccc([N+](=O)[O-])c3)c2c1O ZINC000103530532 570885712 /nfs/dbraw/zinc/88/57/12/570885712.db2.gz IUEZNBBMNDWXAK-GDBMZVCRSA-N -1 3 395.327 1.674 50 5 GDBAHM COC(=O)c1ccccc1-n1c([O-])c2c(-c3cccc([N+](=O)[O-])c3)noc2c1O ZINC000103530532 570885715 /nfs/dbraw/zinc/88/57/15/570885715.db2.gz IUEZNBBMNDWXAK-GDBMZVCRSA-N -1 3 395.327 1.674 50 5 GDBAHM Cc1cc(C)n2c(CCC[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])nnc2n1 ZINC000012322559 570314353 /nfs/dbraw/zinc/31/43/53/570314353.db2.gz VRFJLMOTYDOICD-UHFFFAOYSA-N -1 3 390.425 1.560 50 5 GDBAHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1COc2ccccc2O1 ZINC000030495337 207371701 /nfs/dbraw/zinc/37/17/01/207371701.db2.gz GGWMHPRANXCNHH-LBPRGKRZSA-N -1 3 380.378 1.722 50 5 GDBAHM C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1nnn[n-]1 ZINC000095941777 208238427 /nfs/dbraw/zinc/23/84/27/208238427.db2.gz HIDUMFKYCHENRN-LLVKDONJSA-N -1 3 395.445 1.132 50 5 GDBAHM C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1nn[n-]n1 ZINC000095941777 208238434 /nfs/dbraw/zinc/23/84/34/208238434.db2.gz HIDUMFKYCHENRN-LLVKDONJSA-N -1 3 395.445 1.132 50 5 GDBAHM Cc1nn(C[C@@H](C)C(=O)N2NC(C)=C[C@]2([O-])C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000006526402 570466097 /nfs/dbraw/zinc/46/60/97/570466097.db2.gz XMXDUCNHSBNERN-UHLUBPPHSA-N -1 3 377.323 1.903 50 5 GDBAHM O=C([N-]c1nnc(S(=O)(=O)N2CCCC2)s1)c1cccc([N+](=O)[O-])c1 ZINC000015936314 207068079 /nfs/dbraw/zinc/06/80/79/207068079.db2.gz GJDAUOCFTWXPFT-UHFFFAOYSA-N -1 3 383.411 1.483 50 5 GDBAHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccc2c(c1)OCO2 ZINC000045521247 570991855 /nfs/dbraw/zinc/99/18/55/570991855.db2.gz SKNMRTWLYLQVQZ-UHFFFAOYSA-N -1 3 380.378 1.853 50 5 GDBAHM O=C([N-]n1cnc2c(cnn2-c2ccccc2)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000010251198 206375281 /nfs/dbraw/zinc/37/52/81/206375281.db2.gz DHEQOKGRNMRIJL-UHFFFAOYSA-N -1 3 376.332 1.874 50 5 GDBAHM O=C([N-]n1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000010251200 206375676 /nfs/dbraw/zinc/37/56/76/206375676.db2.gz PDBBOLRECFGLBZ-UHFFFAOYSA-N -1 3 376.332 1.874 50 5 GDBAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]23)cc1OC ZINC000103519278 570886101 /nfs/dbraw/zinc/88/61/01/570886101.db2.gz GMLKAZZYJGHRQO-RDJZCZTQSA-N -1 3 397.343 1.905 50 5 GDBAHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C(C)C)N1CCOCC1 ZINC000025373995 207303420 /nfs/dbraw/zinc/30/34/20/207303420.db2.gz BIPBZLRRKIQHQX-AWEZNQCLSA-N -1 3 387.458 1.239 50 5 GDBAHM COc1ccc(C2=NOC3=C([O-])N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)c(OC)c1 ZINC000101244630 208390652 /nfs/dbraw/zinc/39/06/52/208390652.db2.gz DEPZQMSFQVKPSE-WBVHZDCISA-N -1 3 397.343 1.905 50 5 GDBAHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCN(C)CC(F)(F)F ZINC000032929478 530610230 /nfs/dbraw/zinc/61/02/30/530610230.db2.gz VCDDCLUSWJXNGW-UHFFFAOYSA-N -1 3 385.364 1.766 50 5 GDBAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000010213761 206373713 /nfs/dbraw/zinc/37/37/13/206373713.db2.gz QCNZVZXBIZUZRE-UHFFFAOYSA-N -1 3 392.393 1.894 50 5 GDBAHM CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000034924585 570810049 /nfs/dbraw/zinc/81/00/49/570810049.db2.gz UYRCRPXKGACVJM-CYBMUJFWSA-N -1 3 375.341 1.753 50 5 GDBAHM COC(=O)c1ccccc1-n1c([O-])c2onc(-c3ccc([N+](=O)[O-])cc3)c2c1O ZINC000100829515 208383532 /nfs/dbraw/zinc/38/35/32/208383532.db2.gz MMMQHJFAHMNBHD-ZBFHGGJFSA-N -1 3 395.327 1.674 50 5 GDBAHM Cc1nn(CC(=O)NCCCNC(=O)c2cccc([O-])c2)c(C)c1[N+](=O)[O-] ZINC000058161890 570712964 /nfs/dbraw/zinc/71/29/64/570712964.db2.gz UKSQRLDIHDPDBE-UHFFFAOYSA-N -1 3 375.385 1.050 50 5 GDBAHM COc1ccc([N+](=O)[O-])cc1-n1c([O-])c2onc(-c3c(C)nn(C)c3C)c2c1O ZINC000102723340 570858685 /nfs/dbraw/zinc/85/86/85/570858685.db2.gz LFBTWLFHHRIBMD-HOCLYGCPSA-N -1 3 399.363 1.246 50 5 GDBAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1OC ZINC000103519273 570886276 /nfs/dbraw/zinc/88/62/76/570886276.db2.gz GMLKAZZYJGHRQO-NVXWUHKLSA-N -1 3 397.343 1.905 50 5 GDBAHM O=[N+]([O-])c1cccc(-c2noc3c([O-])n(-c4cccc([N+](=O)[O-])c4)c(O)c23)c1 ZINC000103560827 570886520 /nfs/dbraw/zinc/88/65/20/570886520.db2.gz VWWLKROYCVMWQW-UKRRQHHQSA-N -1 3 382.288 1.796 50 5 GDBAHM O=[N+]([O-])c1cccc(-c2noc3c(O)n(-c4cccc([N+](=O)[O-])c4)c([O-])c23)c1 ZINC000103560827 570886523 /nfs/dbraw/zinc/88/65/23/570886523.db2.gz VWWLKROYCVMWQW-UKRRQHHQSA-N -1 3 382.288 1.796 50 5 GDBAHM O=[N+]([O-])c1ccc([N-]c2nc(Cl)nc(NCCN3CCOCC3)n2)cc1 ZINC000019832519 207165398 /nfs/dbraw/zinc/16/53/98/207165398.db2.gz JXAJQVIWLGZBES-UHFFFAOYSA-N -1 3 379.808 1.921 50 5 GDBAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1OC ZINC000100861501 208382731 /nfs/dbraw/zinc/38/27/31/208382731.db2.gz GMLKAZZYJGHRQO-WBVHZDCISA-N -1 3 397.343 1.905 50 5 GDBAHM CCOc1ccc(NC(=O)C[C@H](NCc2cccnc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000005258747 208666800 /nfs/dbraw/zinc/66/68/00/208666800.db2.gz AOJGKHIAOYZBFL-HNNXBMFYSA-N -1 3 388.380 1.960 50 5 GDBAHM O=c1[n-]n(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)c2ccccc12 ZINC000226762058 136192710 /nfs/dbraw/zinc/19/27/10/136192710.db2.gz NWEDRPMPMXIZLJ-UHFFFAOYSA-N -1 3 381.392 1.790 50 5 GDBAHM COc1ccc(C2=NOC3=C([O-])N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]23)cc1OC ZINC000103519276 570886289 /nfs/dbraw/zinc/88/62/89/570886289.db2.gz GMLKAZZYJGHRQO-DOTOQJQBSA-N -1 3 397.343 1.905 50 5 GDBAHM COC(=O)c1ccccc1-n1c([O-])c2onc(-c3ccc([N+](=O)[O-])cc3)c2c1O ZINC000103611506 570887823 /nfs/dbraw/zinc/88/78/23/570887823.db2.gz MMMQHJFAHMNBHD-HOCLYGCPSA-N -1 3 395.327 1.674 50 5 GDBAHM Nc1nc(NCCCN2CCOCC2)nc([N-]c2ccccc2F)c1[N+](=O)[O-] ZINC000020292740 207185328 /nfs/dbraw/zinc/18/53/28/207185328.db2.gz UURXWXGXAWWKQC-UHFFFAOYSA-N -1 3 391.407 1.984 50 5 GDBAHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C(C)C)N1CCOCC1 ZINC000025373999 207302483 /nfs/dbraw/zinc/30/24/83/207302483.db2.gz BIPBZLRRKIQHQX-CQSZACIVSA-N -1 3 387.458 1.239 50 5 GDBAHM Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1S(N)(=O)=O ZINC000040079601 207337205 /nfs/dbraw/zinc/33/72/05/207337205.db2.gz WRPRILPPRKQRTC-UHFFFAOYSA-N -1 3 375.366 1.679 50 5 GDBAHM COc1ccc(S(=O)(=O)[N-]Cc2nnc(C3CC3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000095941928 208239209 /nfs/dbraw/zinc/23/92/09/208239209.db2.gz VFBBLYNRLFVKIM-UHFFFAOYSA-N -1 3 393.425 1.886 50 5 GDBAHM CNS(=O)(=O)c1ccc(Sc2n[n-]c([C@@H]3CCCO3)n2)c([N+](=O)[O-])c1 ZINC000012847807 210016422 /nfs/dbraw/zinc/01/64/22/210016422.db2.gz OGNCBPBIYUAOLU-JTQLQIEISA-N -1 3 385.427 1.624 50 5 GDBAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000010213765 209321801 /nfs/dbraw/zinc/32/18/01/209321801.db2.gz DUJGIJBLFDTDRA-UHFFFAOYSA-N -1 3 392.393 1.894 50 5 GDBAHM COc1ccc2oc3cc(OCC(=O)N4CCNC4=O)cc(=O)c-3c([O-])c2c1 ZINC000062001408 570555396 /nfs/dbraw/zinc/55/53/96/570555396.db2.gz WNGZBYMBFQUCGN-UHFFFAOYSA-N -1 3 384.344 1.591 50 5 biogenic GDBAHM COc1ccc2oc3cc(OCC(=O)N4CCNC4=O)cc([O-])c3c(=O)c2c1 ZINC000062001408 570555398 /nfs/dbraw/zinc/55/53/98/570555398.db2.gz WNGZBYMBFQUCGN-UHFFFAOYSA-N -1 3 384.344 1.591 50 5 biogenic GDBAHM Nc1nc(NCCN2CCOCC2)nc([N-]c2ccccc2F)c1[N+](=O)[O-] ZINC000020326912 210328782 /nfs/dbraw/zinc/32/87/82/210328782.db2.gz GYHUHACNNXJFHS-UHFFFAOYSA-N -1 3 377.380 1.594 50 5 GDBAHM CCOc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(NCCN2CCOCC2)n1 ZINC000013118823 210051284 /nfs/dbraw/zinc/05/12/84/210051284.db2.gz FHVBOAWGBYXECX-UHFFFAOYSA-N -1 3 389.416 1.666 50 5 GDBAHM O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1c[nH]c(=O)[n-]c1=O ZINC000002473044 209366301 /nfs/dbraw/zinc/36/63/01/209366301.db2.gz FZYNHFGILAXNSV-UHFFFAOYSA-N -1 3 394.299 1.564 50 5 GDBAHM COC(=O)c1ccc(N2CCN(C)CC2)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000002357954 209358337 /nfs/dbraw/zinc/35/83/37/209358337.db2.gz UEDULZDJQOYAMT-UHFFFAOYSA-N -1 3 388.380 1.979 50 5 GDBAHM Cc1nn(C(F)F)cc1S(=O)(=O)[N-]CCn1cc(Cl)c([N+](=O)[O-])n1 ZINC000036615024 530614764 /nfs/dbraw/zinc/61/47/64/530614764.db2.gz XNLAGGRRRBYZHO-UHFFFAOYSA-N -1 3 384.752 1.323 50 5 GDBAHM COC(=O)c1ccccc1-n1c([O-])c2onc(-c3cccc([N+](=O)[O-])c3)c2c1O ZINC000101011938 211395036 /nfs/dbraw/zinc/39/50/36/211395036.db2.gz IUEZNBBMNDWXAK-ZBFHGGJFSA-N -1 3 395.327 1.674 50 5 GDBAHM COC(=O)c1ccccc1-n1c([O-])c2c(-c3cccc([N+](=O)[O-])c3)noc2c1O ZINC000101011938 211395039 /nfs/dbraw/zinc/39/50/39/211395039.db2.gz IUEZNBBMNDWXAK-ZBFHGGJFSA-N -1 3 395.327 1.674 50 5 GDBAHM COc1ccc([N+](=O)[O-])c(OC)c1C(=O)[N-]C(=O)Nc1nc(C)cc(C)n1 ZINC000001023894 209290282 /nfs/dbraw/zinc/29/02/82/209290282.db2.gz MHCUQNNBFJXUCP-UHFFFAOYSA-N -1 3 375.341 1.981 50 5 GDBAHM CCOc1ccc(NC(=O)C[C@@H](NCc2cccnc2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000005258748 570528243 /nfs/dbraw/zinc/52/82/43/570528243.db2.gz AOJGKHIAOYZBFL-OAHLLOKOSA-N -1 3 388.380 1.960 50 5 GDBAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000010213757 209320845 /nfs/dbraw/zinc/32/08/45/209320845.db2.gz HLSODGVOMYAKPN-UHFFFAOYSA-N -1 3 392.393 1.894 50 5 GDBAHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCCOCCO)c1 ZINC000095468728 211245215 /nfs/dbraw/zinc/24/52/15/211245215.db2.gz ULWQNKKQPRZHAY-UHFFFAOYSA-N -1 3 383.220 1.035 50 5 GDBAHM Cn1ccnc1N1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000170613260 570871442 /nfs/dbraw/zinc/87/14/42/570871442.db2.gz FXUDTFYLOURTEE-UHFFFAOYSA-N -1 3 399.860 1.929 50 5 GDBAHM COc1ccc(S(=O)(=O)[N-]CCc2cn3ccccc3n2)c([N+](=O)[O-])c1 ZINC000024471862 570874457 /nfs/dbraw/zinc/87/44/57/570874457.db2.gz SUYIZTUFZYSHCI-UHFFFAOYSA-N -1 3 376.394 1.772 50 5 GDBAHM COc1ccc(C2=NOC3=C([O-])N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)c(OC)c1 ZINC000103550275 570886787 /nfs/dbraw/zinc/88/67/87/570886787.db2.gz DEPZQMSFQVKPSE-NVXWUHKLSA-N -1 3 397.343 1.905 50 5 GDBAHM O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1c[nH]c(=O)[n-]c1=O ZINC000004066083 570927132 /nfs/dbraw/zinc/92/71/32/570927132.db2.gz ZDHROWHFPMWKHG-UHFFFAOYSA-N -1 3 394.299 1.564 50 5 GDBAHM CC(=O)N1CCc2c(sc([N-]C(=O)c3ccc([N+](=O)[O-])s3)c2C(N)=O)C1 ZINC000009639434 209279919 /nfs/dbraw/zinc/27/99/19/209279919.db2.gz AUSCPQJYXHFNPD-UHFFFAOYSA-N -1 3 394.434 1.974 50 5 GDBAHM COc1ccc(C2=NOC3=C([O-])N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]23)cc1OC ZINC000101270846 211396877 /nfs/dbraw/zinc/39/68/77/211396877.db2.gz RVJLFDUNQAHSQX-WBVHZDCISA-N -1 3 397.343 1.905 50 5 GDBAHM 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