smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3)C2=O)cc1 ZINC000408529715 557295788 /nfs/dbraw/zinc/29/57/88/557295788.db2.gz CYHZNIFSPUYWLZ-OAHLLOKOSA-N 0 2 400.232 3.359 40 30 HGEBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3Br)C2=O)cc1 ZINC000408538283 557346396 /nfs/dbraw/zinc/34/63/96/557346396.db2.gz ZZJFDMQZTNFLLW-ZDUSSCGKSA-N 0 2 416.231 3.059 40 30 HGEBLN COc1cccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408537750 557349935 /nfs/dbraw/zinc/34/99/35/557349935.db2.gz XANBGSNRIBYTNF-OAHLLOKOSA-N 0 2 416.231 3.059 40 30 HGEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 ZINC000016687859 558799969 /nfs/dbraw/zinc/79/99/69/558799969.db2.gz SDMBYZPPJKWNBV-JHBCHSCWSA-N 0 2 405.520 3.309 40 30 HGEBLN CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 ZINC000016687859 558799971 /nfs/dbraw/zinc/79/99/71/558799971.db2.gz SDMBYZPPJKWNBV-JHBCHSCWSA-N 0 2 405.520 3.309 40 30 HGEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O ZINC000408801620 560642498 /nfs/dbraw/zinc/64/24/98/560642498.db2.gz UZKCCWMLWWRCDV-CPNJWEJPSA-N 0 2 406.438 3.489 40 30 HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC ZINC000408804014 560643137 /nfs/dbraw/zinc/64/31/37/560643137.db2.gz BWYZRMGSKITJTD-MHWRWJLKSA-N 0 2 424.840 3.335 40 30 HGEBLN COCCN1C2=C(C(=O)CCC2)C(c2ccc(O)c([N+](=O)[O-])c2)C2=C1CCCC2=O ZINC000409042507 560669092 /nfs/dbraw/zinc/66/90/92/560669092.db2.gz XYQDCNXECYEMFW-UHFFFAOYSA-N 0 2 412.442 3.360 40 30 HGEBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3sc4c(c3C#N)CCC4)C2=O)c1 ZINC000408532020 569385862 /nfs/dbraw/zinc/38/58/62/569385862.db2.gz PIYGPMXDWLBJKL-XNTDXEJSSA-N 0 2 406.467 3.304 40 30 HGEBLN COc1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408538017 557342895 /nfs/dbraw/zinc/34/28/95/557342895.db2.gz YMYORLIBHMJAJZ-CYBMUJFWSA-N 0 2 405.332 3.316 40 30 HGEBLN C=CCOc1ccc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)[C@@H]2[N+](=O)[O-])cc1Cl ZINC000408566155 557463990 /nfs/dbraw/zinc/46/39/90/557463990.db2.gz NGBWEHTYFCFAIB-UQIDSAAFSA-N 0 2 413.861 3.427 40 30 HGEBLN O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)cc(I)c2O)nc1 ZINC000408748637 557813056 /nfs/dbraw/zinc/81/30/56/557813056.db2.gz BLJMDXWBVPCXDO-BNCCVWRVSA-N 0 2 418.578 3.399 40 30 HGEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(OCC)c1O ZINC000408855443 560647702 /nfs/dbraw/zinc/64/77/02/560647702.db2.gz NBJDBTRBTLSXNX-LDADJPATSA-N 0 2 406.438 3.494 40 30 HGEBLN C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408982643 560661217 /nfs/dbraw/zinc/66/12/17/560661217.db2.gz ISCWEZPUTCEQJE-YBEGLDIGSA-N 0 2 424.840 3.335 40 30 HGEBLN C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000409071184 560673274 /nfs/dbraw/zinc/67/32/74/560673274.db2.gz FRMGDRZQZCFODF-XMHGGMMESA-N 0 2 416.433 3.102 40 30 HGEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1ccccc1Br ZINC000408528544 557291352 /nfs/dbraw/zinc/29/13/52/557291352.db2.gz BMRJQFFHABDXKF-SNVBAGLBSA-N 0 2 404.195 3.190 40 30 HGEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1F ZINC000408531838 557307949 /nfs/dbraw/zinc/30/79/49/557307949.db2.gz HGHQGQLGPBTQJD-LBPRGKRZSA-N 0 2 404.195 3.190 40 30 HGEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3C)NC2=O)c([N+](=O)[O-])c1 ZINC000005811864 557675849 /nfs/dbraw/zinc/67/58/49/557675849.db2.gz PFLPSPSROBUMSR-MRXNPFEDSA-N 0 2 414.443 3.160 40 30 HGEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3C)NC2=O)c([N+](=O)[O-])c1 ZINC000005811864 557675852 /nfs/dbraw/zinc/67/58/52/557675852.db2.gz PFLPSPSROBUMSR-MRXNPFEDSA-N 0 2 414.443 3.160 40 30 HGEBLN COc1ccc(/N=C2\S[C@@H](CC(N)=O)C(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000020247987 558351567 /nfs/dbraw/zinc/35/15/67/558351567.db2.gz URLAOHSRDQYFBZ-DVCONVQISA-N 0 2 417.918 3.398 40 30 HGEBLN O=C(CC1S/C(=N/c2nccs2)NC1=O)Nc1ccc(Br)cc1 ZINC000016804962 558807391 /nfs/dbraw/zinc/80/73/91/558807391.db2.gz BOENRHWSHXBUKI-JTQLQIEISA-N 0 2 411.306 3.154 40 30 HGEBLN O=C(C[C@@H]1S/C(=N/c2nccs2)NC1=O)Nc1ccc(Br)cc1 ZINC000016804962 558807393 /nfs/dbraw/zinc/80/73/93/558807393.db2.gz BOENRHWSHXBUKI-JTQLQIEISA-N 0 2 411.306 3.154 40 30 HGEBLN CCOC(=O)COc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc1 ZINC000107730745 569362854 /nfs/dbraw/zinc/36/28/54/569362854.db2.gz IQFWWQZFKNUXPQ-CBGOUWHASA-N 0 2 417.512 3.460 40 30 HGEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3Br)C2=O)cc1 ZINC000408532620 557314866 /nfs/dbraw/zinc/31/48/66/557314866.db2.gz IOVNPJBCFJBLQX-ZDUSSCGKSA-N 0 2 400.232 3.359 40 30 HGEBLN COc1cccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000408536231 557328456 /nfs/dbraw/zinc/32/84/56/557328456.db2.gz QMGZECADBAJNNL-HNNXBMFYSA-N 0 2 405.332 3.316 40 30 HGEBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000408537649 557349436 /nfs/dbraw/zinc/34/94/36/557349436.db2.gz WLMNLUARZFVLHR-CYBMUJFWSA-N 0 2 405.332 3.316 40 30 HGEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc(Br)c2)C1=O ZINC000408537987 557350884 /nfs/dbraw/zinc/35/08/84/557350884.db2.gz YCTZCRAFHBRZSP-CQSZACIVSA-N 0 2 400.232 3.359 40 30 HGEBLN CCOC(=O)c1ccc(/N=C2/SC(CC(=O)Nc3ccccc3)C(=O)N2C)cc1 ZINC000006350458 557699962 /nfs/dbraw/zinc/69/99/62/557699962.db2.gz SVTZDMWRLNMEQU-BIBRTQAFSA-N 0 2 411.483 3.453 40 30 HGEBLN CCOC(=O)c1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2C)cc1 ZINC000006350458 557699964 /nfs/dbraw/zinc/69/99/64/557699964.db2.gz SVTZDMWRLNMEQU-BIBRTQAFSA-N 0 2 411.483 3.453 40 30 HGEBLN O=C(CC1S/C(=N/N=C2CCCC2)NC1=O)Nc1ccc(Br)cc1 ZINC000006829117 557725969 /nfs/dbraw/zinc/72/59/69/557725969.db2.gz ZKBXJAPNUZOGPN-CYBMUJFWSA-N 0 2 409.309 3.295 40 30 HGEBLN O=C(C[C@H]1S/C(=N/N=C2CCCC2)NC1=O)Nc1ccc(Br)cc1 ZINC000006829117 557725971 /nfs/dbraw/zinc/72/59/71/557725971.db2.gz ZKBXJAPNUZOGPN-CYBMUJFWSA-N 0 2 409.309 3.295 40 30 HGEBLN N#CCN1CCC[C@H](c2ccnc(Nc3nc(C(=O)N4CCCCC4)cs3)n2)C1 ZINC000585293708 559125913 /nfs/dbraw/zinc/12/59/13/559125913.db2.gz KQXPYZCPZHASOV-HNNXBMFYSA-N 0 2 411.535 3.006 40 30 HGEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1O ZINC000012495058 560781005 /nfs/dbraw/zinc/78/10/05/560781005.db2.gz DNGALTIDFAXYJX-LDADJPATSA-N 0 2 422.437 3.194 40 30 HGEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccccc2C(F)(F)F)C1=O ZINC000408529229 557294618 /nfs/dbraw/zinc/29/46/18/557294618.db2.gz CLUAQIONKVXIDF-NSHDSACASA-N 0 2 405.332 3.316 40 30 HGEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000408531847 557308267 /nfs/dbraw/zinc/30/82/67/557308267.db2.gz HHSPARNFSHYQGW-AWEZNQCLSA-N 0 2 404.195 3.190 40 30 HGEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3Br)C2=O)cc1 ZINC000408532618 557314918 /nfs/dbraw/zinc/31/49/18/557314918.db2.gz IOVNPJBCFJBLQX-CYBMUJFWSA-N 0 2 400.232 3.359 40 30 HGEBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000408537708 557349780 /nfs/dbraw/zinc/34/97/80/557349780.db2.gz WSCQFTGYBOECRC-OAHLLOKOSA-N 0 2 405.332 3.316 40 30 HGEBLN C#CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(OCCC)cc2)C1=O ZINC000408893621 560650417 /nfs/dbraw/zinc/65/04/17/560650417.db2.gz BHFCPZALBAPEMJ-CYVLTUHYSA-N 0 2 404.422 3.154 40 30 HGEBLN C=CCOc1ccc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1Cl ZINC000408566152 557464074 /nfs/dbraw/zinc/46/40/74/557464074.db2.gz NGBWEHTYFCFAIB-JBYOLUDKSA-N 0 2 413.861 3.427 40 30 HGEBLN CCOC(=O)c1ccc(NC(=O)CC2S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 ZINC000016687860 558799894 /nfs/dbraw/zinc/79/98/94/558799894.db2.gz SDMBYZPPJKWNBV-MODMUFLJSA-N 0 2 405.520 3.309 40 30 HGEBLN CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 ZINC000016687860 558799897 /nfs/dbraw/zinc/79/98/97/558799897.db2.gz SDMBYZPPJKWNBV-MODMUFLJSA-N 0 2 405.520 3.309 40 30 HGEBLN OC([C@@H]1CCC=NN1C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000073332041 558986245 /nfs/dbraw/zinc/98/62/45/558986245.db2.gz YUMNEBSXOBFUME-BYPYZUCNSA-N 0 2 416.162 3.106 40 30 HGEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc(OC)c1O ZINC000409071502 560673373 /nfs/dbraw/zinc/67/33/73/560673373.db2.gz PCBHKUNUFIKIPL-LDADJPATSA-N 0 2 422.437 3.194 40 30 HGEBLN Cc1ccc([N+](=O)[O-])cc1NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408532726 557315262 /nfs/dbraw/zinc/31/52/62/557315262.db2.gz IVROFMGUSNWXOQ-CQSZACIVSA-N 0 2 400.778 3.158 40 30 HGEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cccc(Br)c3)C2=O)c1 ZINC000408536112 557327784 /nfs/dbraw/zinc/32/77/84/557327784.db2.gz PTYVZVGNUBBBND-HNNXBMFYSA-N 0 2 400.232 3.359 40 30 HGEBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(Br)c3)C2=O)cc1 ZINC000408537325 557338548 /nfs/dbraw/zinc/33/85/48/557338548.db2.gz VHONTFAJNQNNRU-HNNXBMFYSA-N 0 2 416.231 3.059 40 30 HGEBLN COc1ccc(NC(=O)CC2S/C(=N/N=C(\C)c3cccs3)NC2=O)cc1 ZINC000020157648 558342271 /nfs/dbraw/zinc/34/22/71/558342271.db2.gz LMIVJRUJQPYQFJ-FPQGOQEYSA-N 0 2 402.501 3.097 40 30 HGEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C(\C)c3cccs3)NC2=O)cc1 ZINC000020157648 558342276 /nfs/dbraw/zinc/34/22/76/558342276.db2.gz LMIVJRUJQPYQFJ-FPQGOQEYSA-N 0 2 402.501 3.097 40 30 HGEBLN COc1ccc(N=Cc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])cc2)c(OC)c1 ZINC000016215460 558779071 /nfs/dbraw/zinc/77/90/71/558779071.db2.gz NTWNJKPDAQNVFH-MCUPWUHPSA-N 0 2 422.397 3.322 40 30 HGEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000408798866 560642029 /nfs/dbraw/zinc/64/20/29/560642029.db2.gz JEUGDZCPBVMKOS-QGOAFFKASA-N 0 2 422.437 3.325 40 30 HGEBLN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000409297622 560707825 /nfs/dbraw/zinc/70/78/25/560707825.db2.gz UIWHJDMIPBOABO-UHFFFAOYSA-N 0 2 417.219 3.217 40 30 HGEBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C#N)cc4)o3)C2=O)cc1 ZINC000409014020 569386420 /nfs/dbraw/zinc/38/64/20/569386420.db2.gz DMMIHBBUJWZYDM-XDHOZWIPSA-N 0 2 413.389 3.493 40 30 HGEBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000409393608 569387213 /nfs/dbraw/zinc/38/72/13/569387213.db2.gz RGGVZBFBJRYWSI-UDWIEESQSA-N 0 2 411.421 3.027 40 30 HGEBLN CCOC(=O)c1cccc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408528096 557296469 /nfs/dbraw/zinc/29/64/69/557296469.db2.gz AUHVAXHUMHHIRN-INIZCTEOSA-N 0 2 413.817 3.118 40 30 HGEBLN N#CCN1CCC[C@@H](c2ccnc(Nc3nc(C(=O)N4CCCCC4)cs3)n2)C1 ZINC000585293709 559125926 /nfs/dbraw/zinc/12/59/26/559125926.db2.gz KQXPYZCPZHASOV-OAHLLOKOSA-N 0 2 411.535 3.006 40 30 HGEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCC#N ZINC000408786884 560641732 /nfs/dbraw/zinc/64/17/32/560641732.db2.gz XCHFYZRYWTWNRL-XMHGGMMESA-N 0 2 401.422 3.292 40 30 HGEBLN N#CCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000000786674 568929351 /nfs/dbraw/zinc/92/93/51/568929351.db2.gz CSLGZRJQAJFRNX-BOPFTXTBSA-N 0 2 404.813 3.485 40 30 HGEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1cccc(Br)c1 ZINC000408529648 557295795 /nfs/dbraw/zinc/29/57/95/557295795.db2.gz CUPKQAWEPJCWAL-LBPRGKRZSA-N 0 2 404.195 3.190 40 30 HGEBLN C=CCOc1ccc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)[C@@H]2[N+](=O)[O-])cc1OCC ZINC000408565172 557472628 /nfs/dbraw/zinc/47/26/28/557472628.db2.gz ILBNOBQXJLXHJP-POCHDABASA-N 0 2 423.469 3.172 40 30 HGEBLN COc1ccc(C=NN=C2NC(=O)[C@H](CC(=O)c3ccc(F)cc3)S2)cc1OC ZINC000016754359 558805527 /nfs/dbraw/zinc/80/55/27/558805527.db2.gz KEMMYSMYIHNWME-QPHXDFOYSA-N 0 2 415.446 3.037 40 30 HGEBLN COc1ccc(C=NN=C2NC(=O)C(CC(=O)c3ccc(F)cc3)S2)cc1OC ZINC000016754359 558805529 /nfs/dbraw/zinc/80/55/29/558805529.db2.gz KEMMYSMYIHNWME-QPHXDFOYSA-N 0 2 415.446 3.037 40 30 HGEBLN C=CCSc1nnc(NS(=O)(=O)c2cc(Br)ccc2OC)s1 ZINC000223978985 559189746 /nfs/dbraw/zinc/18/97/46/559189746.db2.gz DVOVURLKIWNHND-UHFFFAOYSA-N 0 2 422.351 3.388 40 30 HGEBLN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000005483614 560626711 /nfs/dbraw/zinc/62/67/11/560626711.db2.gz KQFKJQDLVJZSNF-KRWDZBQOSA-N 0 2 402.366 3.168 40 30 HGEBLN C#CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408805309 560643347 /nfs/dbraw/zinc/64/33/47/560643347.db2.gz GCWIQXVMHSVUAB-RVDMUPIBSA-N 0 2 410.813 3.027 40 30 HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OCC ZINC000408816270 560644422 /nfs/dbraw/zinc/64/44/22/560644422.db2.gz YETOTRIXRBPZQW-QGOAFFKASA-N 0 2 418.449 3.381 40 30 HGEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N\N=C\c2ccccc2O)NC1=O ZINC000007109701 568471621 /nfs/dbraw/zinc/47/16/21/568471621.db2.gz ZZTFSALRZGLHTP-CTJICSLTSA-N 0 2 416.890 3.304 40 30 HGEBLN Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N\N=C\c2ccccc2O)NC1=O ZINC000007109701 568471622 /nfs/dbraw/zinc/47/16/22/568471622.db2.gz ZZTFSALRZGLHTP-CTJICSLTSA-N 0 2 416.890 3.304 40 30 HGEBLN C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OCC)c1O ZINC000009260129 568986343 /nfs/dbraw/zinc/98/63/43/568986343.db2.gz DNGALTIDFAXYJX-PDGQHHTCSA-N 0 2 422.437 3.194 40 30 HGEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(Br)c3)C2=O)cc1 ZINC000408529339 557294955 /nfs/dbraw/zinc/29/49/55/557294955.db2.gz CQZMECQCNVKJPO-HNNXBMFYSA-N 0 2 400.232 3.359 40 30 HGEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(Br)cc2)C1=O ZINC000408530364 557298647 /nfs/dbraw/zinc/29/86/47/557298647.db2.gz FDPQYTHECWYPBF-CYBMUJFWSA-N 0 2 416.231 3.059 40 30 HGEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccccc2Br)C1=O ZINC000408534066 557319307 /nfs/dbraw/zinc/31/93/07/557319307.db2.gz LBDZSLDXZUQHGM-NSHDSACASA-N 0 2 416.231 3.059 40 30 HGEBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(F)(F)F)C2=O)c1 ZINC000408534864 557324152 /nfs/dbraw/zinc/32/41/52/557324152.db2.gz MSIMQWUEWPIORU-ZDUSSCGKSA-N 0 2 405.332 3.316 40 30 HGEBLN Cc1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408536592 557341265 /nfs/dbraw/zinc/34/12/65/557341265.db2.gz SEHUEHUFZQZRPP-AWEZNQCLSA-N 0 2 400.232 3.359 40 30 HGEBLN NC(=O)C[C@@H]1S/C(=N\c2ccc(Cl)cc2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000020457397 558370683 /nfs/dbraw/zinc/37/06/83/558370683.db2.gz VUAFPNBAVLVSNW-VFOOBRQFSA-N 0 2 417.874 3.076 40 30 HGEBLN CC/N=C1/SC(CC(=O)Nc2sc(C)c(CC)c2C(=O)OC)C(=O)N1CC ZINC000017877308 558828416 /nfs/dbraw/zinc/82/84/16/558828416.db2.gz UALBPXPUKNYREX-RUWSDDDDSA-N 0 2 411.549 3.074 40 30 HGEBLN CC/N=C1/S[C@@H](CC(=O)Nc2sc(C)c(CC)c2C(=O)OC)C(=O)N1CC ZINC000017877308 558828417 /nfs/dbraw/zinc/82/84/17/558828417.db2.gz UALBPXPUKNYREX-RUWSDDDDSA-N 0 2 411.549 3.074 40 30 HGEBLN C=CCSc1nnc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)s1 ZINC000222913460 559069970 /nfs/dbraw/zinc/06/99/70/559069970.db2.gz XNVNRNLEPCEPDF-UHFFFAOYSA-N 0 2 416.575 3.297 40 30 HGEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000005006518 560620699 /nfs/dbraw/zinc/62/06/99/560620699.db2.gz ILBKUKZFXWRJRI-XNTDXEJSSA-N 0 2 410.813 3.027 40 30 HGEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccccc2Br)C1=O ZINC000408536564 557341029 /nfs/dbraw/zinc/34/10/29/557341029.db2.gz SCSWMJJIOAMZIG-LBPRGKRZSA-N 0 2 400.232 3.359 40 30 HGEBLN O=C(CC1S/C(=N/N=C2CCCC2)NC1=O)Nc1ccc(Br)cc1 ZINC000006829120 557725937 /nfs/dbraw/zinc/72/59/37/557725937.db2.gz ZKBXJAPNUZOGPN-ZDUSSCGKSA-N 0 2 409.309 3.295 40 30 HGEBLN O=C(C[C@@H]1S/C(=N/N=C2CCCC2)NC1=O)Nc1ccc(Br)cc1 ZINC000006829120 557725940 /nfs/dbraw/zinc/72/59/40/557725940.db2.gz ZKBXJAPNUZOGPN-ZDUSSCGKSA-N 0 2 409.309 3.295 40 30 HGEBLN CCOc1ccc(NC(=O)CC2S/C(=N/N=C(\C)c3cccs3)NC2=O)cc1 ZINC000020176769 558344040 /nfs/dbraw/zinc/34/40/40/558344040.db2.gz FIVIFMIYEIMKJY-BFTVFPACSA-N 0 2 416.528 3.487 40 30 HGEBLN CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/N=C(\C)c3cccs3)NC2=O)cc1 ZINC000020176769 558344042 /nfs/dbraw/zinc/34/40/42/558344042.db2.gz FIVIFMIYEIMKJY-BFTVFPACSA-N 0 2 416.528 3.487 40 30 HGEBLN O=C(N=C1NC(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S1)c1ccc(Cl)cc1 ZINC000409137899 560682778 /nfs/dbraw/zinc/68/27/78/560682778.db2.gz XCLXRBXYZYMRNL-ZSOIEALJSA-N 0 2 403.803 3.354 40 30 HGEBLN COc1ccccc1C(=O)Oc1ccccc1C=NNc1nnc(C(C)(C)C)c(=O)[nH]1 ZINC000016776932 569262646 /nfs/dbraw/zinc/26/26/46/569262646.db2.gz CIINWGFOEVSEDY-YDZHTSKRSA-N 0 2 421.457 3.136 40 30 HGEBLN CNC(=O)C[C@@H]1S/C(=N/c2ccc(F)cc2F)N(Cc2ccccc2F)C1=O ZINC000032803681 524075681 /nfs/dbraw/zinc/07/56/81/524075681.db2.gz OKGWZFTXNUNOQY-UAFKWENTSA-N 0 2 407.417 3.372 40 30 HGEBLN CNC(=O)CC1S/C(=N/c2ccc(F)cc2F)N(Cc2ccccc2F)C1=O ZINC000032803681 524075682 /nfs/dbraw/zinc/07/56/82/524075682.db2.gz OKGWZFTXNUNOQY-UAFKWENTSA-N 0 2 407.417 3.372 40 30 HGEBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408533154 557316499 /nfs/dbraw/zinc/31/64/99/557316499.db2.gz JMODXDBBEISTIK-OAHLLOKOSA-N 0 2 400.232 3.359 40 30 HGEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(Br)cc2)C1=O ZINC000408534429 557321279 /nfs/dbraw/zinc/32/12/79/557321279.db2.gz LYEYIHDHWPEXEU-CQSZACIVSA-N 0 2 400.232 3.359 40 30 HGEBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(F)(F)F)C2=O)c1 ZINC000408534862 557324197 /nfs/dbraw/zinc/32/41/97/557324197.db2.gz MSIMQWUEWPIORU-CYBMUJFWSA-N 0 2 405.332 3.316 40 30 HGEBLN COc1cccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000408536233 557328718 /nfs/dbraw/zinc/32/87/18/557328718.db2.gz QMGZECADBAJNNL-OAHLLOKOSA-N 0 2 405.332 3.316 40 30 HGEBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3cccc(Br)c3)C2=O)c1 ZINC000408537981 557350467 /nfs/dbraw/zinc/35/04/67/557350467.db2.gz YBTQWIFHHVDHTL-HNNXBMFYSA-N 0 2 416.231 3.059 40 30 HGEBLN C=CCSc1nnc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)s1 ZINC000225190948 559271622 /nfs/dbraw/zinc/27/16/22/559271622.db2.gz SMKMBGXQRDVFOL-UHFFFAOYSA-N 0 2 410.546 3.052 40 30 HGEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000408772433 560639238 /nfs/dbraw/zinc/63/92/38/560639238.db2.gz PDNZJBRVRNOTAU-LDADJPATSA-N 0 2 406.438 3.407 40 30 HGEBLN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000409282669 560706454 /nfs/dbraw/zinc/70/64/54/560706454.db2.gz PZXQOEUMTBEOPO-UHFFFAOYSA-N 0 2 417.219 3.217 40 30 HGEBLN Cc1c(Cl)cccc1NC(=O)CC1S/C(=N\N=C\c2ccccc2O)NC1=O ZINC000003281489 560886840 /nfs/dbraw/zinc/88/68/40/560886840.db2.gz ZZTFSALRZGLHTP-PPAWOMOGSA-N 0 2 416.890 3.304 40 30 HGEBLN Cc1c(Cl)cccc1NC(=O)C[C@H]1S/C(=N\N=C\c2ccccc2O)NC1=O ZINC000003281489 560886841 /nfs/dbraw/zinc/88/68/41/560886841.db2.gz ZZTFSALRZGLHTP-PPAWOMOGSA-N 0 2 416.890 3.304 40 30 HGEBLN Cc1cccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408528353 557296523 /nfs/dbraw/zinc/29/65/23/557296523.db2.gz AZNFDWFOFPLOJQ-OAHLLOKOSA-N 0 2 400.232 3.359 40 30 HGEBLN Cc1ccc([N+](=O)[O-])cc1NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408532722 557315254 /nfs/dbraw/zinc/31/52/54/557315254.db2.gz IVROFMGUSNWXOQ-AWEZNQCLSA-N 0 2 400.778 3.158 40 30 HGEBLN COc1cccc(NC(=O)CC2S/C(=N/N=C(\C)c3ccc(F)cc3)NC2=O)c1 ZINC000020157668 558342406 /nfs/dbraw/zinc/34/24/06/558342406.db2.gz XEJCLDKPSJJIHZ-FQIOEHTJSA-N 0 2 414.462 3.175 40 30 HGEBLN COc1cccc(NC(=O)C[C@H]2S/C(=N/N=C(\C)c3ccc(F)cc3)NC2=O)c1 ZINC000020157668 558342409 /nfs/dbraw/zinc/34/24/09/558342409.db2.gz XEJCLDKPSJJIHZ-FQIOEHTJSA-N 0 2 414.462 3.175 40 30 HGEBLN COc1ccc(/N=C2\S[C@H](CC(N)=O)C(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000020247989 558351587 /nfs/dbraw/zinc/35/15/87/558351587.db2.gz URLAOHSRDQYFBZ-HLGQQVFSSA-N 0 2 417.918 3.398 40 30 HGEBLN COc1ccc(C=NN=C2NC(=O)[C@@H](CC(=O)c3ccc(F)cc3)S2)cc1OC ZINC000016754356 558805493 /nfs/dbraw/zinc/80/54/93/558805493.db2.gz KEMMYSMYIHNWME-NMONLQQWSA-N 0 2 415.446 3.037 40 30 HGEBLN COc1ccc(C=NN=C2NC(=O)C(CC(=O)c3ccc(F)cc3)S2)cc1OC ZINC000016754356 558805496 /nfs/dbraw/zinc/80/54/96/558805496.db2.gz KEMMYSMYIHNWME-NMONLQQWSA-N 0 2 415.446 3.037 40 30 HGEBLN C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000408981542 560661033 /nfs/dbraw/zinc/66/10/33/560661033.db2.gz BPZFICLOLQXPND-RGEXLXHISA-N 0 2 418.449 3.326 40 30 HGEBLN CC[C@@H](C)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N[C@@H](C)CC ZINC000100494965 560724823 /nfs/dbraw/zinc/72/48/23/560724823.db2.gz GCNPLIFLFQONII-OCAPTIKFSA-N 0 2 400.310 3.357 40 30 HGEBLN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1 ZINC000408534936 557313163 /nfs/dbraw/zinc/31/31/63/557313163.db2.gz MZDHRJRZRYRYNO-AWEZNQCLSA-N 0 2 420.303 3.215 40 30 HGEBLN Cc1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408536594 557341308 /nfs/dbraw/zinc/34/13/08/557341308.db2.gz SEHUEHUFZQZRPP-CQSZACIVSA-N 0 2 400.232 3.359 40 30 HGEBLN N#Cc1ccc(Cl)cc1NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408536619 557341584 /nfs/dbraw/zinc/34/15/84/557341584.db2.gz SGXQCKPCLFXQTK-AWEZNQCLSA-N 0 2 401.209 3.467 40 30 HGEBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000408537706 557349723 /nfs/dbraw/zinc/34/97/23/557349723.db2.gz WSCQFTGYBOECRC-HNNXBMFYSA-N 0 2 405.332 3.316 40 30 HGEBLN O=C(CC1S/C(=N/c2cccc(O)c2)NC1=O)Nc1ccc(Br)cc1 ZINC000016712059 558801799 /nfs/dbraw/zinc/80/17/99/558801799.db2.gz ZLMFHDUNIKBPEO-AWEZNQCLSA-N 0 2 420.288 3.403 40 30 HGEBLN O=C(C[C@@H]1S/C(=N/c2cccc(O)c2)NC1=O)Nc1ccc(Br)cc1 ZINC000016712059 558801801 /nfs/dbraw/zinc/80/18/01/558801801.db2.gz ZLMFHDUNIKBPEO-AWEZNQCLSA-N 0 2 420.288 3.403 40 30 HGEBLN O=C(CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016739652 558803193 /nfs/dbraw/zinc/80/31/93/558803193.db2.gz LKALPKNKLUZEGO-WFTJRACISA-N 0 2 423.454 3.210 40 30 HGEBLN O=C(C[C@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016739652 558803195 /nfs/dbraw/zinc/80/31/95/558803195.db2.gz LKALPKNKLUZEGO-WFTJRACISA-N 0 2 423.454 3.210 40 30 HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OCC ZINC000408805268 560643313 /nfs/dbraw/zinc/64/33/13/560643313.db2.gz FQJMJXLTABQCDL-QGOAFFKASA-N 0 2 418.449 3.381 40 30 HGEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC ZINC000408807959 560643591 /nfs/dbraw/zinc/64/35/91/560643591.db2.gz PJQTWFMCJKIXAM-MHWRWJLKSA-N 0 2 424.840 3.335 40 30 HGEBLN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000408811494 560644062 /nfs/dbraw/zinc/64/40/62/560644062.db2.gz RDRINHHOSBIZSV-XSFVSMFZSA-N 0 2 412.401 3.224 40 30 HGEBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC#N)c4ccccc34)C2=O)cc1 ZINC000409378614 560718344 /nfs/dbraw/zinc/71/83/44/560718344.db2.gz QRANSSMRFJRDRC-CPNJWEJPSA-N 0 2 414.421 3.230 40 30 HGEBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408528701 557292668 /nfs/dbraw/zinc/29/26/68/557292668.db2.gz BSCFMEOBZFZLNM-HNNXBMFYSA-N 0 2 405.332 3.316 40 30 HGEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc(C(F)(F)F)c2)C1=O ZINC000408528720 557292730 /nfs/dbraw/zinc/29/27/30/557292730.db2.gz BSICHSPTBLSZJY-CYBMUJFWSA-N 0 2 405.332 3.316 40 30 HGEBLN COc1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408529347 557294906 /nfs/dbraw/zinc/29/49/06/557294906.db2.gz CRNZFUGZLPAUKB-ZDUSSCGKSA-N 0 2 416.231 3.059 40 30 HGEBLN COc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408530978 557300293 /nfs/dbraw/zinc/30/02/93/557300293.db2.gz GCCYMAIRZRXRSK-OAHLLOKOSA-N 0 2 416.231 3.059 40 30 HGEBLN COc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408530976 557300328 /nfs/dbraw/zinc/30/03/28/557300328.db2.gz GCCYMAIRZRXRSK-HNNXBMFYSA-N 0 2 416.231 3.059 40 30 HGEBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408533151 557316437 /nfs/dbraw/zinc/31/64/37/557316437.db2.gz JMODXDBBEISTIK-HNNXBMFYSA-N 0 2 400.232 3.359 40 30 HGEBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3)C2=O)cc1 ZINC000408536010 557326908 /nfs/dbraw/zinc/32/69/08/557326908.db2.gz PMWFEKWPSKHRQG-OAHLLOKOSA-N 0 2 416.231 3.059 40 30 HGEBLN COc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408537512 557336738 /nfs/dbraw/zinc/33/67/38/557336738.db2.gz VUYSHUFGZDUQPY-OAHLLOKOSA-N 0 2 405.332 3.316 40 30 HGEBLN O=C([O-])CCC(=CN=Nc1ccc([N+](=O)[O-])cc1)[NH2+]Nc1ccc([N+](=O)[O-])cc1 ZINC000018210332 558833666 /nfs/dbraw/zinc/83/36/66/558833666.db2.gz DDQAWCDWFSMGMY-SAJFQSFKSA-N 0 2 400.351 3.234 40 30 HGEBLN C#CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000408808019 560643626 /nfs/dbraw/zinc/64/36/26/560643626.db2.gz MDIYRKVWZFYSJG-LICLKQGHSA-N 0 2 410.813 3.027 40 30 HGEBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(C#N)cc3)C2=O)ccc1Br ZINC000408757119 569386325 /nfs/dbraw/zinc/38/63/25/569386325.db2.gz WWQGKNHHNGQDCK-OQLLNIDSSA-N 0 2 410.227 3.296 40 30 HGEBLN C=CCOc1ccc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)[C@@H]2[N+](=O)[O-])cc1Cl ZINC000408566157 557463999 /nfs/dbraw/zinc/46/39/99/557463999.db2.gz NGBWEHTYFCFAIB-ZKYUUJBMSA-N 0 2 413.861 3.427 40 30 HGEBLN COc1cc(C=NN=C2NC(=O)[C@@H](CC(=O)c3ccc(Cl)cc3)S2)ccc1O ZINC000016739619 558803173 /nfs/dbraw/zinc/80/31/73/558803173.db2.gz PRWVPFTVHWVOOV-LYUVJKPTSA-N 0 2 417.874 3.249 40 30 HGEBLN COc1cc(C=NN=C2NC(=O)C(CC(=O)c3ccc(Cl)cc3)S2)ccc1O ZINC000016739619 558803176 /nfs/dbraw/zinc/80/31/76/558803176.db2.gz PRWVPFTVHWVOOV-LYUVJKPTSA-N 0 2 417.874 3.249 40 30 HGEBLN O=C(CC1S/C(=N/c2nccs2)NC1=O)Nc1ccc(Br)cc1 ZINC000016804964 558807380 /nfs/dbraw/zinc/80/73/80/558807380.db2.gz BOENRHWSHXBUKI-SNVBAGLBSA-N 0 2 411.306 3.154 40 30 HGEBLN O=C(C[C@H]1S/C(=N/c2nccs2)NC1=O)Nc1ccc(Br)cc1 ZINC000016804964 558807383 /nfs/dbraw/zinc/80/73/83/558807383.db2.gz BOENRHWSHXBUKI-SNVBAGLBSA-N 0 2 411.306 3.154 40 30 HGEBLN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000005483898 560626775 /nfs/dbraw/zinc/62/67/75/560626775.db2.gz KQFKJQDLVJZSNF-QGZVFWFLSA-N 0 2 402.366 3.168 40 30 HGEBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCC#N ZINC000408982296 560661082 /nfs/dbraw/zinc/66/10/82/560661082.db2.gz DDEOWSZKXMWMSH-AQTBWJFISA-N 0 2 419.437 3.216 40 30 HGEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc(C(F)(F)F)c2)C1=O ZINC000408528727 557292677 /nfs/dbraw/zinc/29/26/77/557292677.db2.gz BSICHSPTBLSZJY-ZDUSSCGKSA-N 0 2 405.332 3.316 40 30 HGEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1F ZINC000408531837 557307976 /nfs/dbraw/zinc/30/79/76/557307976.db2.gz HGHQGQLGPBTQJD-GFCCVEGCSA-N 0 2 404.195 3.190 40 30 HGEBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3ccccc3Br)C2=O)c1 ZINC000408533158 557316642 /nfs/dbraw/zinc/31/66/42/557316642.db2.gz JMPDREVMPTUFMZ-ZDUSSCGKSA-N 0 2 416.231 3.059 40 30 HGEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc(Br)c2)C1=O ZINC000408538230 557346111 /nfs/dbraw/zinc/34/61/11/557346111.db2.gz ZITPTJZKKAZNCX-CYBMUJFWSA-N 0 2 416.231 3.059 40 30 HGEBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000408537650 557349398 /nfs/dbraw/zinc/34/93/98/557349398.db2.gz WLMNLUARZFVLHR-ZDUSSCGKSA-N 0 2 405.332 3.316 40 30 HGEBLN COc1cccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408537749 557349865 /nfs/dbraw/zinc/34/98/65/557349865.db2.gz XANBGSNRIBYTNF-HNNXBMFYSA-N 0 2 416.231 3.059 40 30 HGEBLN O=C(CC1S/C(=N/c2cccc(O)c2)NC1=O)Nc1ccc(Br)cc1 ZINC000016712056 558801814 /nfs/dbraw/zinc/80/18/14/558801814.db2.gz ZLMFHDUNIKBPEO-CQSZACIVSA-N 0 2 420.288 3.403 40 30 HGEBLN O=C(C[C@H]1S/C(=N/c2cccc(O)c2)NC1=O)Nc1ccc(Br)cc1 ZINC000016712056 558801816 /nfs/dbraw/zinc/80/18/16/558801816.db2.gz ZLMFHDUNIKBPEO-CQSZACIVSA-N 0 2 420.288 3.403 40 30 HGEBLN O=C(C[C@@H]1SC(=NN=Cc2ccco2)NC1=O)c1ccc(Br)cc1 ZINC000016713208 558801826 /nfs/dbraw/zinc/80/18/26/558801826.db2.gz FBOHFJOUYBUTLI-RMNBPEERSA-N 0 2 406.261 3.237 40 30 HGEBLN O=C(CC1SC(=NN=Cc2ccco2)NC1=O)c1ccc(Br)cc1 ZINC000016713208 558801829 /nfs/dbraw/zinc/80/18/29/558801829.db2.gz FBOHFJOUYBUTLI-RMNBPEERSA-N 0 2 406.261 3.237 40 30 HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC ZINC000408817680 560644702 /nfs/dbraw/zinc/64/47/02/560644702.db2.gz WDOLNYHZHKLDKC-CPNJWEJPSA-N 0 2 418.449 3.381 40 30 HGEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC#N ZINC000408858429 560647516 /nfs/dbraw/zinc/64/75/16/560647516.db2.gz SBSHQYONLPEEJL-LDADJPATSA-N 0 2 419.437 3.271 40 30 HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OCC ZINC000006960529 560748769 /nfs/dbraw/zinc/74/87/69/560748769.db2.gz ZDQCNJYVMMQSDM-GHRIWEEISA-N 0 2 404.422 3.072 40 30 HGEBLN COc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N=C(O)NC(C)(C)C)c1 ZINC000027646921 526242431 /nfs/dbraw/zinc/24/24/31/526242431.db2.gz AHBPOHBDSHUMKH-UHFFFAOYSA-N 0 2 423.447 3.387 40 30 in-vitro HGEBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3ccccc3Br)C2=O)c1 ZINC000408533156 557316425 /nfs/dbraw/zinc/31/64/25/557316425.db2.gz JMPDREVMPTUFMZ-CYBMUJFWSA-N 0 2 416.231 3.059 40 30 HGEBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3)C2=O)c1 ZINC000408535983 557326348 /nfs/dbraw/zinc/32/63/48/557326348.db2.gz PJACLZGLICRAKP-OAHLLOKOSA-N 0 2 416.231 3.059 40 30 HGEBLN Cc1ccc(NN=c2[nH]c3nonc3nc2N=NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000408721395 557768983 /nfs/dbraw/zinc/76/89/83/557768983.db2.gz QKHBCMWYNOLIAW-QRVIBDJDSA-N 0 2 416.489 3.348 40 30 HGEBLN CCOc1ccc(NC(=O)CC2S/C(=N/N=C(\C)c3cccs3)NC2=O)cc1 ZINC000020176771 558343984 /nfs/dbraw/zinc/34/39/84/558343984.db2.gz FIVIFMIYEIMKJY-LTNVFZTJSA-N 0 2 416.528 3.487 40 30 HGEBLN CCOc1ccc(NC(=O)C[C@H]2S/C(=N/N=C(\C)c3cccs3)NC2=O)cc1 ZINC000020176771 558343985 /nfs/dbraw/zinc/34/39/85/558343985.db2.gz FIVIFMIYEIMKJY-LTNVFZTJSA-N 0 2 416.528 3.487 40 30 HGEBLN O=C(CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016739651 558803168 /nfs/dbraw/zinc/80/31/68/558803168.db2.gz LKALPKNKLUZEGO-BYOCQCMUSA-N 0 2 423.454 3.210 40 30 HGEBLN O=C(C[C@@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016739651 558803170 /nfs/dbraw/zinc/80/31/70/558803170.db2.gz LKALPKNKLUZEGO-BYOCQCMUSA-N 0 2 423.454 3.210 40 30 HGEBLN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)C(C)C ZINC000006762086 560634754 /nfs/dbraw/zinc/63/47/54/560634754.db2.gz QXYJQOWKIGNYOB-NPNVKNKFSA-N 0 2 411.325 3.397 40 30 HGEBLN C/C(=N\N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1)C(C)C ZINC000006762086 560634756 /nfs/dbraw/zinc/63/47/56/560634756.db2.gz QXYJQOWKIGNYOB-NPNVKNKFSA-N 0 2 411.325 3.397 40 30 HGEBLN CCOC(=O)c1sc(NC(=O)c2c(Br)cnn2CC)c(C#N)c1C ZINC000002487599 560772021 /nfs/dbraw/zinc/77/20/21/560772021.db2.gz XLAJYSLBQBKFCO-UHFFFAOYSA-N 0 2 411.281 3.336 40 30 HGEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000032186317 518316689 /nfs/dbraw/zinc/31/66/89/518316689.db2.gz ZKHQQWPCQRLBED-MHWRWJLKSA-N 0 2 424.840 3.335 40 30 HGEBLN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNc1cccc([N+](=O)[O-])c1 ZINC000408534940 557313382 /nfs/dbraw/zinc/31/33/82/557313382.db2.gz MZDHRJRZRYRYNO-CQSZACIVSA-N 0 2 420.303 3.215 40 30 HGEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccccc2Br)C1=O ZINC000408534065 557319378 /nfs/dbraw/zinc/31/93/78/557319378.db2.gz LBDZSLDXZUQHGM-LLVKDONJSA-N 0 2 416.231 3.059 40 30 HGEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1ccc(Br)cc1 ZINC000408536467 557340477 /nfs/dbraw/zinc/34/04/77/557340477.db2.gz RNUCIFJEZZGNGY-GFCCVEGCSA-N 0 2 404.195 3.190 40 30 HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl ZINC000408800843 560642311 /nfs/dbraw/zinc/64/23/11/560642311.db2.gz RJRHSYWRUUIRHB-LFIBNONCSA-N 0 2 410.813 3.027 40 30 HGEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408810875 560644009 /nfs/dbraw/zinc/64/40/09/560644009.db2.gz NAKZJIFWMGBFRK-LFIBNONCSA-N 0 2 424.840 3.417 40 30 HGEBLN C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCCC)cc3)C2=O)cc1 ZINC000408900333 560651200 /nfs/dbraw/zinc/65/12/00/560651200.db2.gz RZSUJAODXVYQAD-HKWRFOASSA-N 0 2 404.422 3.154 40 30 HGEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OCC)c1OC ZINC000409071412 560673277 /nfs/dbraw/zinc/67/32/77/560673277.db2.gz RGYJMVVGLMXIJR-LDADJPATSA-N 0 2 422.437 3.194 40 30 HGEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OC ZINC000409072967 560673615 /nfs/dbraw/zinc/67/36/15/560673615.db2.gz UJZPRRQJRXKTGD-QGOAFFKASA-N 0 2 406.438 3.489 40 30 HGEBLN NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=NNc2ccc3ccccc3c2)C1=O ZINC000100530612 560725148 /nfs/dbraw/zinc/72/51/48/560725148.db2.gz MLBZFQQLDJJRGQ-PTGBLXJZSA-N 0 2 418.438 3.006 40 30 HGEBLN C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000015013015 569004585 /nfs/dbraw/zinc/00/45/85/569004585.db2.gz PGHKKSGAPXXZGE-WJDWOHSUSA-N 0 2 410.813 3.027 40 30 HGEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccccc2C(F)(F)F)C1=O ZINC000408529226 557294585 /nfs/dbraw/zinc/29/45/85/557294585.db2.gz CLUAQIONKVXIDF-LLVKDONJSA-N 0 2 405.332 3.316 40 30 HGEBLN COc1ccccc1CNC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408531529 557305971 /nfs/dbraw/zinc/30/59/71/557305971.db2.gz GZOLQNXIKFOTQL-PGRIZOJTSA-N 0 2 419.359 3.184 40 30 HGEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(Br)cc2)C1=O ZINC000408534426 557321364 /nfs/dbraw/zinc/32/13/64/557321364.db2.gz LYEYIHDHWPEXEU-AWEZNQCLSA-N 0 2 400.232 3.359 40 30 HGEBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3cccc(Br)c3)C2=O)c1 ZINC000408537982 557350539 /nfs/dbraw/zinc/35/05/39/557350539.db2.gz YBTQWIFHHVDHTL-OAHLLOKOSA-N 0 2 416.231 3.059 40 30 HGEBLN N#Cc1c(=O)[nH]c(NN=Cc2c(F)c(F)c(F)c(F)c2F)nc1-c1ccccc1 ZINC000005323880 557644921 /nfs/dbraw/zinc/64/49/21/557644921.db2.gz WACDKEXYMIUXDF-JRXWSOMVSA-N 0 2 405.286 3.450 40 30 HGEBLN CC(=O)c1ccc(NC(=O)CC2SC(=NN=C(C)c3cccs3)NC2=O)cc1 ZINC000020310784 558355005 /nfs/dbraw/zinc/35/50/05/558355005.db2.gz NZJSSLYREVXJRZ-RSFOSLOZSA-N 0 2 414.512 3.291 40 30 HGEBLN CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=NN=C(C)c3cccs3)NC2=O)cc1 ZINC000020310784 558355007 /nfs/dbraw/zinc/35/50/07/558355007.db2.gz NZJSSLYREVXJRZ-RSFOSLOZSA-N 0 2 414.512 3.291 40 30 HGEBLN CC/N=C1/SC(CC(=O)Nc2sc(C)c(CC)c2C(=O)OC)C(=O)N1CC ZINC000017877313 558828383 /nfs/dbraw/zinc/82/83/83/558828383.db2.gz UALBPXPUKNYREX-ROHOOWMXSA-N 0 2 411.549 3.074 40 30 HGEBLN CC/N=C1/S[C@H](CC(=O)Nc2sc(C)c(CC)c2C(=O)OC)C(=O)N1CC ZINC000017877313 558828388 /nfs/dbraw/zinc/82/83/88/558828388.db2.gz UALBPXPUKNYREX-ROHOOWMXSA-N 0 2 411.549 3.074 40 30 HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OCC ZINC000408798857 560642050 /nfs/dbraw/zinc/64/20/50/560642050.db2.gz GGSFMRXZWYLCMQ-QGOAFFKASA-N 0 2 418.449 3.381 40 30 HGEBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408528715 557292782 /nfs/dbraw/zinc/29/27/82/557292782.db2.gz BSCFMEOBZFZLNM-OAHLLOKOSA-N 0 2 405.332 3.316 40 30 HGEBLN COc1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408529344 557294841 /nfs/dbraw/zinc/29/48/41/557294841.db2.gz CRNZFUGZLPAUKB-CYBMUJFWSA-N 0 2 416.231 3.059 40 30 HGEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(Br)cc2)C1=O ZINC000408530366 557298614 /nfs/dbraw/zinc/29/86/14/557298614.db2.gz FDPQYTHECWYPBF-ZDUSSCGKSA-N 0 2 416.231 3.059 40 30 HGEBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000408531849 557308274 /nfs/dbraw/zinc/30/82/74/557308274.db2.gz HHSPARNFSHYQGW-CQSZACIVSA-N 0 2 404.195 3.190 40 30 HGEBLN COc1ccc(CCNC(=O)[C@H](C#N)c2nc3ccccc3nc2Cl)cc1OC ZINC000003260561 557465333 /nfs/dbraw/zinc/46/53/33/557465333.db2.gz WBLBTVMBFMYPJV-CQSZACIVSA-N 0 2 410.861 3.266 40 30 HGEBLN CCOc1nnc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)s1 ZINC000005345212 557645799 /nfs/dbraw/zinc/64/57/99/557645799.db2.gz PWPOHRLMFAGZCI-WOJGMQOQSA-N 0 2 404.473 3.194 40 30 HGEBLN CCOC(=O)c1ccc(/N=C2/SC(CC(=O)Nc3ccccc3)C(=O)N2C)cc1 ZINC000006350460 557699898 /nfs/dbraw/zinc/69/98/98/557699898.db2.gz SVTZDMWRLNMEQU-IJCFDHGGSA-N 0 2 411.483 3.453 40 30 HGEBLN CCOC(=O)c1ccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3)C(=O)N2C)cc1 ZINC000006350460 557699901 /nfs/dbraw/zinc/69/99/01/557699901.db2.gz SVTZDMWRLNMEQU-IJCFDHGGSA-N 0 2 411.483 3.453 40 30 HGEBLN O=[N+]([O-])c1cccc(C=NN=c2nc(Nc3ccccc3)[nH]c(N3CCCC3)n2)c1O ZINC000014920389 558679290 /nfs/dbraw/zinc/67/92/90/558679290.db2.gz NTEMWCNRCJBYNZ-FYJGNVAPSA-N 0 2 420.433 3.275 40 30 HGEBLN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1O ZINC000409306974 560709073 /nfs/dbraw/zinc/70/90/73/560709073.db2.gz QPHFLECDAWATIB-UHFFFAOYSA-N 0 2 417.219 3.217 40 30 HGEBLN C#CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000014132871 560838647 /nfs/dbraw/zinc/83/86/47/560838647.db2.gz PYWKXAXABCBGLQ-XNTDXEJSSA-N 0 2 424.840 3.335 40 30 HGEBLN COc1ccccc1CNC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408531533 557305915 /nfs/dbraw/zinc/30/59/15/557305915.db2.gz GZOLQNXIKFOTQL-SWKNLOBNSA-N 0 2 419.359 3.184 40 30 HGEBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3)C2=O)c1 ZINC000408535982 557326336 /nfs/dbraw/zinc/32/63/36/557326336.db2.gz PJACLZGLICRAKP-HNNXBMFYSA-N 0 2 416.231 3.059 40 30 HGEBLN CN(C)c1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408538265 557346047 /nfs/dbraw/zinc/34/60/47/557346047.db2.gz ZSFSFSMAOANTJX-MRXNPFEDSA-N 0 2 418.375 3.373 40 30 HGEBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3Br)C2=O)cc1 ZINC000408538282 557346497 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HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000408807312 560642682 /nfs/dbraw/zinc/64/26/82/560642682.db2.gz GZWOBFNJRGSQQY-SDNWHVSQSA-N 0 2 410.813 3.027 40 30 HGEBLN COc1ccccc1NS(=O)(=O)c1ccc(N=NC2CCSC2)c([N+](=O)[O-])c1 ZINC000021360876 568463333 /nfs/dbraw/zinc/46/33/33/568463333.db2.gz DHFVFAAIQFDPSB-PDGQHHTCSA-N 0 2 422.488 3.309 40 30 HGEBLN N#Cc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408529097 557294285 /nfs/dbraw/zinc/29/42/85/557294285.db2.gz CADGTEUUHXLCQA-HNNXBMFYSA-N 0 2 400.316 3.179 40 30 HGEBLN Cc1cccc(NC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000408528347 557296416 /nfs/dbraw/zinc/29/64/16/557296416.db2.gz AZNFDWFOFPLOJQ-HNNXBMFYSA-N 0 2 400.232 3.359 40 30 HGEBLN COc1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408538018 557342887 /nfs/dbraw/zinc/34/28/87/557342887.db2.gz YMYORLIBHMJAJZ-ZDUSSCGKSA-N 0 2 405.332 3.316 40 30 HGEBLN COc1cccc(NC(=O)CC2S/C(=N/N=C(\C)c3ccc(F)cc3)NC2=O)c1 ZINC000020157665 558342292 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NFCYTXUUGVHZLC-SFQUDFHCSA-N 0 2 410.813 3.027 40 30 HGEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc(OC)c1O ZINC000409220484 560698585 /nfs/dbraw/zinc/69/85/85/560698585.db2.gz ALWYGFQMXHEXCS-FOWTUZBSSA-N 0 2 422.437 3.194 40 30 HGEBLN CC[C@H](C)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N[C@@H](C)CC ZINC000003087240 568854491 /nfs/dbraw/zinc/85/44/91/568854491.db2.gz GCNPLIFLFQONII-YUMQZZPRSA-N 0 2 400.310 3.357 40 30 HGEBLN CNC(=O)C[C@H]1S/C(=N/c2ccc(F)cc2F)N(Cc2ccccc2F)C1=O ZINC000032803683 524075725 /nfs/dbraw/zinc/07/57/25/524075725.db2.gz OKGWZFTXNUNOQY-KGWRKDBXSA-N 0 2 407.417 3.372 40 30 HGEBLN CNC(=O)CC1S/C(=N/c2ccc(F)cc2F)N(Cc2ccccc2F)C1=O ZINC000032803683 524075726 /nfs/dbraw/zinc/07/57/26/524075726.db2.gz OKGWZFTXNUNOQY-KGWRKDBXSA-N 0 2 407.417 3.372 40 30 HGEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccccc2Br)C1=O ZINC000408536563 557341035 /nfs/dbraw/zinc/34/10/35/557341035.db2.gz SCSWMJJIOAMZIG-GFCCVEGCSA-N 0 2 400.232 3.359 40 30 HGEBLN N#Cc1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408538049 557344191 /nfs/dbraw/zinc/34/41/91/557344191.db2.gz YSDLBBFAUOJIPW-AWEZNQCLSA-N 0 2 400.316 3.179 40 30 HGEBLN CN(C)c1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408538264 557346165 /nfs/dbraw/zinc/34/61/65/557346165.db2.gz ZSFSFSMAOANTJX-INIZCTEOSA-N 0 2 418.375 3.373 40 30 HGEBLN C=CCOc1ccc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1OCC ZINC000408565173 557472642 /nfs/dbraw/zinc/47/26/42/557472642.db2.gz ILBNOBQXJLXHJP-YROCYRMSSA-N 0 2 423.469 3.172 40 30 HGEBLN COc1ccc(NC(=O)CC2S/C(=N/N=C(\C)c3cccs3)NC2=O)cc1 ZINC000020157651 558342319 /nfs/dbraw/zinc/34/23/19/558342319.db2.gz LMIVJRUJQPYQFJ-UGVMZYNRSA-N 0 2 402.501 3.097 40 30 HGEBLN COc1ccc(NC(=O)C[C@H]2S/C(=N/N=C(\C)c3cccs3)NC2=O)cc1 ZINC000020157651 558342321 /nfs/dbraw/zinc/34/23/21/558342321.db2.gz LMIVJRUJQPYQFJ-UGVMZYNRSA-N 0 2 402.501 3.097 40 30 HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1CC=C ZINC000408785500 560641481 /nfs/dbraw/zinc/64/14/81/560641481.db2.gz ZTKUVMLCKZJXBS-HMMYKYKNSA-N 0 2 400.434 3.402 40 30 HGEBLN N#Cc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408529099 557294290 /nfs/dbraw/zinc/29/42/90/557294290.db2.gz CADGTEUUHXLCQA-OAHLLOKOSA-N 0 2 400.316 3.179 40 30 HGEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1cccc(Br)c1 ZINC000408529645 557295164 /nfs/dbraw/zinc/29/51/64/557295164.db2.gz CUPKQAWEPJCWAL-GFCCVEGCSA-N 0 2 404.195 3.190 40 30 HGEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3)C2=O)c1 ZINC000408530626 557298949 /nfs/dbraw/zinc/29/89/49/557298949.db2.gz FKDYJOXWDRLEEQ-OAHLLOKOSA-N 0 2 400.232 3.359 40 30 HGEBLN COc1ccccc1CNC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408531519 557305593 /nfs/dbraw/zinc/30/55/93/557305593.db2.gz GZOLQNXIKFOTQL-BHVZIVLHSA-N 0 2 419.359 3.184 40 30 HGEBLN COc1ccccc1C(=O)Oc1ccc(C=NNc2nnc(C(C)(C)C)c(=O)[nH]2)cc1 ZINC000006363928 560559864 /nfs/dbraw/zinc/55/98/64/560559864.db2.gz VIYFQZJBDIJVSG-YDZHTSKRSA-N 0 2 421.457 3.136 40 30 HGEBLN CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1 ZINC000005632298 560635273 /nfs/dbraw/zinc/63/52/73/560635273.db2.gz UTXFKSYZHGHHAM-UHFFFAOYSA-N 0 2 404.451 3.242 40 30 HGEBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC#N ZINC000408768619 560638828 /nfs/dbraw/zinc/63/88/28/560638828.db2.gz HWUZHMNRCWTEKH-LDADJPATSA-N 0 2 419.437 3.271 40 30 HGEBLN C#CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408811584 560644083 /nfs/dbraw/zinc/64/40/83/560644083.db2.gz RHBVIHSRCDBCQZ-LFIBNONCSA-N 0 2 424.840 3.335 40 30 HGEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OCC#N)c(OC)c3)SC2=N)s1 ZINC000137621533 569363088 /nfs/dbraw/zinc/36/30/88/569363088.db2.gz KHSWCCHPXIVBPY-SFRCHEHXSA-N 0 2 400.485 3.429 40 30 HGEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3)C2=O)c1 ZINC000408530445 557298850 /nfs/dbraw/zinc/29/88/50/557298850.db2.gz FKDYJOXWDRLEEQ-HNNXBMFYSA-N 0 2 400.232 3.359 40 30 HGEBLN C=CCOc1ccc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1Cl ZINC000408566153 557464013 /nfs/dbraw/zinc/46/40/13/557464013.db2.gz NGBWEHTYFCFAIB-ONTRVFCTSA-N 0 2 413.861 3.427 40 30 HGEBLN O=C(C[C@H]1SC(=NN=Cc2ccco2)NC1=O)c1ccc(Br)cc1 ZINC000016713210 558801890 /nfs/dbraw/zinc/80/18/90/558801890.db2.gz FBOHFJOUYBUTLI-UHPUNMKFSA-N 0 2 406.261 3.237 40 30 HGEBLN O=C(CC1SC(=NN=Cc2ccco2)NC1=O)c1ccc(Br)cc1 ZINC000016713210 558801894 /nfs/dbraw/zinc/80/18/94/558801894.db2.gz FBOHFJOUYBUTLI-UHPUNMKFSA-N 0 2 406.261 3.237 40 30 HGEBLN C=CCSc1nnc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)s1 ZINC000225524457 559272100 /nfs/dbraw/zinc/27/21/00/559272100.db2.gz PMJOYBZFUZEAQW-UHFFFAOYSA-N 0 2 405.910 3.057 40 30 HGEBLN C/C(=N\N=C1\NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)C(C)C ZINC000006762087 560634717 /nfs/dbraw/zinc/63/47/17/560634717.db2.gz QXYJQOWKIGNYOB-RNDVCUHJSA-N 0 2 411.325 3.397 40 30 HGEBLN C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1)C(C)C ZINC000006762087 560634720 /nfs/dbraw/zinc/63/47/20/560634720.db2.gz QXYJQOWKIGNYOB-RNDVCUHJSA-N 0 2 411.325 3.397 40 30 HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000408805351 560643331 /nfs/dbraw/zinc/64/33/31/560643331.db2.gz AJJXOLIKCZJHIW-RVDMUPIBSA-N 0 2 424.840 3.335 40 30 HGEBLN C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O ZINC000408819053 560644948 /nfs/dbraw/zinc/64/49/48/560644948.db2.gz WLXNJXYRTVMNFY-NBVRZTHBSA-N 0 2 420.421 3.095 40 30 HGEBLN C#CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408814572 560645069 /nfs/dbraw/zinc/64/50/69/560645069.db2.gz ZKNGXURKYJHSDX-GZTJUZNOSA-N 0 2 410.813 3.027 40 30 HGEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OC ZINC000016162423 569005295 /nfs/dbraw/zinc/00/52/95/569005295.db2.gz DRVYGIKHYJBKTN-GHRIWEEISA-N 0 2 406.438 3.489 40 30 HGEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3)C2=O)cc1 ZINC000408529712 557295801 /nfs/dbraw/zinc/29/58/01/557295801.db2.gz CYHZNIFSPUYWLZ-HNNXBMFYSA-N 0 2 400.232 3.359 40 30 HGEBLN COc1ccccc1CNC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408531522 557305548 /nfs/dbraw/zinc/30/55/48/557305548.db2.gz GZOLQNXIKFOTQL-OWLNGIFZSA-N 0 2 419.359 3.184 40 30 HGEBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Br)cc3)C2=O)cc1 ZINC000408536009 557326930 /nfs/dbraw/zinc/32/69/30/557326930.db2.gz PMWFEKWPSKHRQG-HNNXBMFYSA-N 0 2 416.231 3.059 40 30 HGEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cccc(Br)c3)C2=O)c1 ZINC000408536113 557327844 /nfs/dbraw/zinc/32/78/44/557327844.db2.gz PTYVZVGNUBBBND-OAHLLOKOSA-N 0 2 400.232 3.359 40 30 HGEBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc(Br)c2)C1=O ZINC000408537986 557350516 /nfs/dbraw/zinc/35/05/16/557350516.db2.gz YCTZCRAFHBRZSP-AWEZNQCLSA-N 0 2 400.232 3.359 40 30 HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000408796274 560641926 /nfs/dbraw/zinc/64/19/26/560641926.db2.gz DXBWCISSQSQSTP-GZTJUZNOSA-N 0 2 424.840 3.417 40 30 HGEBLN C#CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408799319 560642184 /nfs/dbraw/zinc/64/21/84/560642184.db2.gz KHHYWEFPSSHJOH-LICLKQGHSA-N 0 2 424.840 3.335 40 30 HGEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC ZINC000408802582 560642851 /nfs/dbraw/zinc/64/28/51/560642851.db2.gz ZDLYFHRDWXUACH-SFQUDFHCSA-N 0 2 408.410 3.022 40 30 HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408817332 560644650 /nfs/dbraw/zinc/64/46/50/560644650.db2.gz SYTREQGYAMJBLL-MHWRWJLKSA-N 0 2 410.813 3.027 40 30 HGEBLN C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000408819908 560645363 /nfs/dbraw/zinc/64/53/63/560645363.db2.gz ZALDMWUVEGYLRD-CPNJWEJPSA-N 0 2 422.437 3.325 40 30 HGEBLN C=CCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O ZINC000408875206 560648868 /nfs/dbraw/zinc/64/88/68/560648868.db2.gz HGTPQKKLDFWXIR-AQTBWJFISA-N 0 2 406.438 3.489 40 30 HGEBLN C#CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)c2ccccc21 ZINC000409221681 560698819 /nfs/dbraw/zinc/69/88/19/560698819.db2.gz URXVIGPERTXMTI-NBVRZTHBSA-N 0 2 413.433 3.340 40 30 HGEBLN CCOC(=O)COc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)cc1 ZINC000138551958 569363092 /nfs/dbraw/zinc/36/30/92/569363092.db2.gz IQFWWQZFKNUXPQ-PIOWISPCSA-N 0 2 417.512 3.460 40 30 HGEBLN C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1ccc(O)c([N+](=O)[O-])c1 ZINC000261363291 569413585 /nfs/dbraw/zinc/41/35/85/569413585.db2.gz QYAYJKGTUUZBNM-QGZVFWFLSA-O 0 2 410.435 3.001 40 30 HGEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccccc3Br)C2=O)c1 ZINC000408536160 557328176 /nfs/dbraw/zinc/32/81/76/557328176.db2.gz QADIXMFPOWXWHH-ZDUSSCGKSA-N 0 2 400.232 3.359 40 30 HGEBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(Br)c3)C2=O)cc1 ZINC000408537326 557338780 /nfs/dbraw/zinc/33/87/80/557338780.db2.gz VHONTFAJNQNNRU-OAHLLOKOSA-N 0 2 416.231 3.059 40 30 HGEBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc(Br)c2)C1=O ZINC000408538231 557346145 /nfs/dbraw/zinc/34/61/45/557346145.db2.gz ZITPTJZKKAZNCX-ZDUSSCGKSA-N 0 2 416.231 3.059 40 30 HGEBLN O=C([O-])CCC(=CN=Nc1ccc([N+](=O)[O-])cc1)[NH2+]Nc1ccc([N+](=O)[O-])cc1 ZINC000004791961 557598243 /nfs/dbraw/zinc/59/82/43/557598243.db2.gz DDQAWCDWFSMGMY-OZAAWOPNSA-N 0 2 400.351 3.234 40 30 HGEBLN COc1ccc(NN=Cc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])cc2)cc1 ZINC000005513759 557659061 /nfs/dbraw/zinc/65/90/61/557659061.db2.gz DHCNMYVZYFRJNA-NEHYNPCWSA-N 0 2 407.386 3.421 40 30 HGEBLN CC(=O)c1ccc(NC(=O)CC2SC(=NN=C(C)c3cccs3)NC2=O)cc1 ZINC000020310788 558355058 /nfs/dbraw/zinc/35/50/58/558355058.db2.gz NZJSSLYREVXJRZ-CNPYVQQSSA-N 0 2 414.512 3.291 40 30 HGEBLN CC(=O)c1ccc(NC(=O)C[C@H]2SC(=NN=C(C)c3cccs3)NC2=O)cc1 ZINC000020310788 558355063 /nfs/dbraw/zinc/35/50/63/558355063.db2.gz NZJSSLYREVXJRZ-CNPYVQQSSA-N 0 2 414.512 3.291 40 30 HGEBLN C=CCSc1nnc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)s1 ZINC000225840429 559272386 /nfs/dbraw/zinc/27/23/86/559272386.db2.gz CXFCSHMWEIQYDD-UHFFFAOYSA-N 0 2 405.910 3.057 40 30 HGEBLN C=CCOc1ccc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)[C@@H]2[N+](=O)[O-])cc1OCC ZINC000408565174 557472609 /nfs/dbraw/zinc/47/26/09/557472609.db2.gz ILBNOBQXJLXHJP-YTJPUZGESA-N 0 2 423.469 3.172 40 30 HGEBLN O=C([O-])CCC(=CN=Nc1ccc([N+](=O)[O-])cc1)[NH2+]Nc1ccc([N+](=O)[O-])cc1 ZINC000104357383 559160607 /nfs/dbraw/zinc/16/06/07/559160607.db2.gz DDQAWCDWFSMGMY-YEBXKVFRSA-N 0 2 400.351 3.234 40 30 HGEBLN C=CCSc1nnc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)s1 ZINC000225700602 559272236 /nfs/dbraw/zinc/27/22/36/559272236.db2.gz TUDBTWSCOBLEFW-UHFFFAOYSA-N 0 2 414.559 3.013 40 30 HGEBLN C/N=C1/S/C(=C/c2cc(Br)c(O)c(Br)c2)C(=O)N1C ZINC000408930394 560655493 /nfs/dbraw/zinc/65/54/93/560655493.db2.gz WKQAFMFAKJBCGV-KJCDSFJNSA-N 0 2 406.099 3.449 40 30 HGEBLN CC[C@@H](C)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N[C@H](C)CC ZINC000003087241 568854570 /nfs/dbraw/zinc/85/45/70/568854570.db2.gz GCNPLIFLFQONII-HTQZYQBOSA-N 0 2 400.310 3.357 40 30 HGEBLN CCOC(=O)c1cc(C#N)c(SCC(=O)c2ccc(Br)cc2)[nH]c1=O ZINC000016687743 569070508 /nfs/dbraw/zinc/07/05/08/569070508.db2.gz SNVLZZFLAFDLHN-UHFFFAOYSA-N 0 2 421.272 3.161 40 30 HGEBLN CCOC(=O)c1cccc(NC=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408528101 557296401 /nfs/dbraw/zinc/29/64/01/557296401.db2.gz AUHVAXHUMHHIRN-MRXNPFEDSA-N 0 2 413.817 3.118 40 30 HGEBLN COc1ccc(NC=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408537511 557336655 /nfs/dbraw/zinc/33/66/55/557336655.db2.gz VUYSHUFGZDUQPY-HNNXBMFYSA-N 0 2 405.332 3.316 40 30 HGEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1ccc(Br)cc1 ZINC000408536470 557340468 /nfs/dbraw/zinc/34/04/68/557340468.db2.gz RNUCIFJEZZGNGY-LBPRGKRZSA-N 0 2 404.195 3.190 40 30 HGEBLN COc1ccc(CCNC(=O)[C@@H](C#N)c2nc3ccccc3nc2Cl)cc1OC ZINC000003260560 557465318 /nfs/dbraw/zinc/46/53/18/557465318.db2.gz WBLBTVMBFMYPJV-AWEZNQCLSA-N 0 2 410.861 3.266 40 30 HGEBLN COc1ccc(NC(=O)CC2S/C(=N\c3ccccc3C)NC2=O)c([N+](=O)[O-])c1 ZINC000005579792 557663156 /nfs/dbraw/zinc/66/31/56/557663156.db2.gz PFLPSPSROBUMSR-INIZCTEOSA-N 0 2 414.443 3.160 40 30 HGEBLN COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3C)NC2=O)c([N+](=O)[O-])c1 ZINC000005579792 557663159 /nfs/dbraw/zinc/66/31/59/557663159.db2.gz PFLPSPSROBUMSR-INIZCTEOSA-N 0 2 414.443 3.160 40 30 HGEBLN NC(=O)C[C@H]1S/C(=N\c2ccc(Cl)cc2)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000020457398 558370739 /nfs/dbraw/zinc/37/07/39/558370739.db2.gz VUAFPNBAVLVSNW-BWORXHKJSA-N 0 2 417.874 3.076 40 30 HGEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(OC)c1OCC ZINC000409067593 560672522 /nfs/dbraw/zinc/67/25/22/560672522.db2.gz FUWBICUFKDEQKN-LDADJPATSA-N 0 2 422.437 3.194 40 30 HGEBLN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=CNc1ccccc1Br ZINC000408528541 557291345 /nfs/dbraw/zinc/29/13/45/557291345.db2.gz BMRJQFFHABDXKF-JTQLQIEISA-N 0 2 404.195 3.190 40 30 HGEBLN C=CCOc1ccc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)[C@H]2[N+](=O)[O-])cc1OCC ZINC000408565171 557472350 /nfs/dbraw/zinc/47/23/50/557472350.db2.gz ILBNOBQXJLXHJP-JFJYTDJESA-N 0 2 423.469 3.172 40 30 HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1Cl ZINC000408817232 560644640 /nfs/dbraw/zinc/64/46/40/560644640.db2.gz ZZLFVBFTSNIIKN-SFQUDFHCSA-N 0 2 424.840 3.417 40 30 HGEBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cccc(Br)c3)C2=O)cc1 ZINC000408529341 557294941 /nfs/dbraw/zinc/29/49/41/557294941.db2.gz CQZMECQCNVKJPO-OAHLLOKOSA-N 0 2 400.232 3.359 40 30 HGEBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccccc3Br)C2=O)c1 ZINC000408536158 557328130 /nfs/dbraw/zinc/32/81/30/557328130.db2.gz QADIXMFPOWXWHH-CYBMUJFWSA-N 0 2 400.232 3.359 40 30 HGEBLN N#Cc1ccc(Cl)cc1NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408536623 557341617 /nfs/dbraw/zinc/34/16/17/557341617.db2.gz SGXQCKPCLFXQTK-CQSZACIVSA-N 0 2 401.209 3.467 40 30 HGEBLN N#Cc1ccccc1NC=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408538050 557344151 /nfs/dbraw/zinc/34/41/51/557344151.db2.gz YSDLBBFAUOJIPW-CQSZACIVSA-N 0 2 400.316 3.179 40 30 HGEBLN COc1cc(C=NN=C2NC(=O)[C@H](CC(=O)c3ccc(Cl)cc3)S2)ccc1O ZINC000016739620 558803124 /nfs/dbraw/zinc/80/31/24/558803124.db2.gz PRWVPFTVHWVOOV-GVLJNOETSA-N 0 2 417.874 3.249 40 30 HGEBLN COc1cc(C=NN=C2NC(=O)C(CC(=O)c3ccc(Cl)cc3)S2)ccc1O ZINC000016739620 558803126 /nfs/dbraw/zinc/80/31/26/558803126.db2.gz PRWVPFTVHWVOOV-GVLJNOETSA-N 0 2 417.874 3.249 40 30 HGEBLN OC([C@H]1CCC=NN1C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000073332036 558986331 /nfs/dbraw/zinc/98/63/31/558986331.db2.gz YUMNEBSXOBFUME-SCSAIBSYSA-N 0 2 416.162 3.106 40 30 HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OCC ZINC000408794678 560641910 /nfs/dbraw/zinc/64/19/10/560641910.db2.gz ASJNDNSSYZZJLC-NTCAYCPXSA-N 0 2 424.840 3.417 40 30 HGEBLN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O ZINC000408803105 560642973 /nfs/dbraw/zinc/64/29/73/560642973.db2.gz LGSPCLSXKURVHL-QGOAFFKASA-N 0 2 424.840 3.417 40 30 HGEBLN C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OCC ZINC000408805206 560643304 /nfs/dbraw/zinc/64/33/04/560643304.db2.gz JNZGHAZLQLBSGN-QGOAFFKASA-N 0 2 404.422 3.072 40 30 HGEBLN C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1 ZINC000408804737 560643320 /nfs/dbraw/zinc/64/33/20/560643320.db2.gz HBAOYRFWDWUSRT-XMHGGMMESA-N 0 2 420.421 3.095 40 30 HGEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(OC)c1OC ZINC000409066452 560672421 /nfs/dbraw/zinc/67/24/21/560672421.db2.gz ATNKTLIVCNHDQS-LDADJPATSA-N 0 2 422.437 3.107 40 30 HGEBLN C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCC ZINC000409071494 560673268 /nfs/dbraw/zinc/67/32/68/560673268.db2.gz PAPPPSSQDUVAGE-QGOAFFKASA-N 0 2 406.438 3.489 40 30 HGEBLN C=CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1ccc(O)c([N+](=O)[O-])c1 ZINC000261363290 569059214 /nfs/dbraw/zinc/05/92/14/569059214.db2.gz QYAYJKGTUUZBNM-KRWDZBQOSA-O 0 2 410.435 3.001 40 30 HGEBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3sc4c(c3C#N)CCCC4)C2=O)cc1 ZINC000408536732 569385789 /nfs/dbraw/zinc/38/57/89/569385789.db2.gz XQGYSOKKNWEEQT-WJDWOHSUSA-N 0 2 422.466 3.086 40 30 HGEBLN