smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c([N-]S(=O)(=O)c2cccs2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000000636644 569383829 /nfs/dbraw/zinc/38/38/29/569383829.db2.gz JWNFSOUHFYXOFO-UHFFFAOYSA-N -1 0 406.488 5.348 40 30 HKEBRM COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(C)cc4C)nc3c2)c1[O-] ZINC000000798813 557084023 /nfs/dbraw/zinc/08/40/23/557084023.db2.gz WZVRUNHOAOIXLE-WYMPLXKRSA-N -1 0 417.421 5.485 40 30 HKEBRM COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2C)c1[O-] ZINC000000802266 559280316 /nfs/dbraw/zinc/28/03/16/559280316.db2.gz DYYYDGDQVOVEJC-WYMPLXKRSA-N -1 0 417.421 5.485 40 30 HKEBRM CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(Cl)cc(Cl)c1[O-] ZINC000000803549 559280161 /nfs/dbraw/zinc/28/01/61/559280161.db2.gz LKQBTFDKPOEKEO-LJQANCHMSA-N -1 0 403.309 5.921 40 30 HKEBRM CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(Cl)cc(Cl)c1[O-] ZINC000000803550 559280148 /nfs/dbraw/zinc/28/01/48/559280148.db2.gz LKQBTFDKPOEKEO-IBGZPJMESA-N -1 0 403.309 5.921 40 30 HKEBRM Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cccc([N+](=O)[O-])c1[O-] ZINC000000808987 559280946 /nfs/dbraw/zinc/28/09/46/559280946.db2.gz BUPJWOOHQPTHCD-FOKLQQMPSA-N -1 0 407.813 5.821 40 30 HKEBRM COc1cc([N+](=O)[O-])cc(/C=N/c2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1[O-] ZINC000000821754 559281335 /nfs/dbraw/zinc/28/13/35/559281335.db2.gz CFDSLKGQCSQJST-WYMPLXKRSA-N -1 0 417.421 5.485 40 30 HKEBRM [O-]c1c(Cl)cc(Br)cc1/C=N/c1ccc2c(c1)oc1ccccc12 ZINC000000826563 559281673 /nfs/dbraw/zinc/28/16/73/559281673.db2.gz JEOPEOYEOSLDOR-LSHDLFTRSA-N -1 0 400.659 6.458 40 30 HKEBRM CC(/C=C/[C@]1(C)[C@@H](C)C=CC(=O)[C@H]1C)=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O ZINC000000835744 560178791 /nfs/dbraw/zinc/17/87/91/560178791.db2.gz ZLAQYJKDQSZARB-OLWBNLDESA-N -1 0 402.918 5.335 40 30 biogenic,in-vitro HKEBRM CCOc1cccc(/C=N/c2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)c1O ZINC000000864710 559292045 /nfs/dbraw/zinc/29/20/45/559292045.db2.gz MREKHARGQRKIKZ-DHRITJCHSA-N -1 0 402.450 5.672 40 30 HKEBRM COc1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1Br ZINC000000865551 559292546 /nfs/dbraw/zinc/29/25/46/559292546.db2.gz MMRXPADXJOMOBJ-FSJBWODESA-N -1 0 423.266 5.722 40 30 HKEBRM O=C([O-])c1cccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1 ZINC000001431129 568930625 /nfs/dbraw/zinc/93/06/25/568930625.db2.gz GEXIQEHMNALHIJ-YDZHTSKRSA-N -1 0 410.267 5.477 40 30 HKEBRM Oc1ccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c(O)c1 ZINC000001509414 557270702 /nfs/dbraw/zinc/27/07/02/557270702.db2.gz TYZUSTDNOMAGIK-SSDVNMTOSA-N -1 0 409.239 5.419 40 30 HKEBRM N#Cc1c(/N=C/c2cc(Br)ccc2O)oc(-c2ccco2)c1-c1ccco1 ZINC000001512965 560728500 /nfs/dbraw/zinc/72/85/00/560728500.db2.gz WHSKGHMSTGMVFU-FOKLQQMPSA-N -1 0 423.222 5.890 40 30 HKEBRM CCCCCCCCN1CSC(=S)N(c2ccc3[n-]c(=S)sc3c2)C1 ZINC000001573752 520033421 /nfs/dbraw/zinc/03/34/21/520033421.db2.gz NZWQOABPZYGENM-UHFFFAOYSA-N -1 0 411.687 6.001 40 30 HKEBRM CCCCCCCCCCC=C1C(=O)C(=O)C(I)=C([O-])C1O ZINC000001590626 557274990 /nfs/dbraw/zinc/27/49/90/557274990.db2.gz FWXGTGRMBTXRKB-UHFFFAOYSA-N -1 0 420.287 5.076 40 30 HKEBRM N#C[C@@H](C(=O)[O-])[C@@H](c1cccc2ccccc21)c1cccc2ccc3ccccc3c21 ZINC000001632945 557277679 /nfs/dbraw/zinc/27/76/79/557277679.db2.gz APSSOUIYMBILKM-VPUSJEBWSA-N -1 0 401.465 6.502 40 30 HKEBRM N#C[C@@H](C(=O)[O-])[C@H](c1cccc2ccccc21)c1cccc2ccc3ccccc3c21 ZINC000001632946 557277772 /nfs/dbraw/zinc/27/77/72/557277772.db2.gz APSSOUIYMBILKM-XNMGPUDCSA-N -1 0 401.465 6.502 40 30 HKEBRM N#C[C@H](C(=O)[O-])[C@@H](c1cccc2ccccc21)c1cccc2ccc3ccccc3c21 ZINC000001632947 557277790 /nfs/dbraw/zinc/27/77/90/557277790.db2.gz APSSOUIYMBILKM-BDYUSTAISA-N -1 0 401.465 6.502 40 30 HKEBRM N#C[C@H](C(=O)[O-])[C@H](c1cccc2ccccc21)c1cccc2ccc3ccccc3c21 ZINC000001632948 526507725 /nfs/dbraw/zinc/50/77/25/526507725.db2.gz APSSOUIYMBILKM-AHKZPQOWSA-N -1 0 401.465 6.502 40 30 HKEBRM CCCCc1ccc(C2=C([O-])C(=O)C(c3ccc(CCCC)cc3)C(=O)C2=O)cc1 ZINC000001711805 557282254 /nfs/dbraw/zinc/28/22/54/557282254.db2.gz CMAPBQSQMJIHSS-UHFFFAOYSA-N -1 0 404.506 5.762 40 30 HKEBRM Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])c3C)nc2c1 ZINC000001883295 560583505 /nfs/dbraw/zinc/58/35/05/560583505.db2.gz WISIZPRQFCSHHI-OPEKNORGSA-N -1 0 411.288 6.875 40 30 HKEBRM COc1cc(C=Nn2c(=S)[n-]nc2C2CCCCC2)ccc1OCc1ccccc1 ZINC000001901748 560583658 /nfs/dbraw/zinc/58/36/58/560583658.db2.gz GGCWCWYQAXTARR-IWIPYMOSSA-N -1 0 422.554 5.458 40 30 HKEBRM CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4ccccc4s3)c2)c1[O-] ZINC000001955240 557297640 /nfs/dbraw/zinc/29/76/40/557297640.db2.gz QGGLCFIITKIGII-YDZHTSKRSA-N -1 0 419.462 5.726 40 30 HKEBRM CCc1ccc(C2=CC(C)(C)Sc3ccc(C#Cc4ccc(C(=O)[O-])cc4)cc32)cc1 ZINC000002007450 569151331 /nfs/dbraw/zinc/15/13/31/569151331.db2.gz LHUPKWKWYWOMSK-UHFFFAOYSA-N -1 0 424.565 6.663 40 30 investigational HKEBRM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1OCc1ccccc1 ZINC000002324741 560559664 /nfs/dbraw/zinc/55/96/64/560559664.db2.gz LTCGAUWPJQSSCA-IWIPYMOSSA-N -1 0 416.506 5.077 40 30 HKEBRM CCn1c2ccccc2c2cc(C=Nn3c(=S)[n-]nc3-c3ccc(C)cc3)ccc21 ZINC000002349717 557339324 /nfs/dbraw/zinc/33/93/24/557339324.db2.gz PSKZKZOLGZSOLP-MYYYXRDXSA-N -1 0 411.534 5.926 40 30 HKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/c1cc(Cl)ccc1O ZINC000002756216 557380051 /nfs/dbraw/zinc/38/00/51/557380051.db2.gz ATQAUMKUZJFCMA-UBKPWBPPSA-N -1 0 405.473 5.027 40 30 HKEBRM Cc1cc2nc(-c3cc(/N=C/c4ccc(Br)cc4)ccc3[O-])oc2c(C)c1 ZINC000003032241 568844956 /nfs/dbraw/zinc/84/49/56/568844956.db2.gz GPIRUTDJJODIQP-WYMPLXKRSA-N -1 0 421.294 6.330 40 30 HKEBRM Cc1cc2nc(-c3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3[O-])oc2c(C)c1 ZINC000003032244 557782983 /nfs/dbraw/zinc/78/29/83/557782983.db2.gz OREJDMZVZCUIOV-OPEKNORGSA-N -1 0 411.288 6.875 40 30 HKEBRM CCc1ccc2oc(-c3cc(/N=C/c4cccc(Cl)c4Cl)ccc3[O-])nc2c1 ZINC000003032366 568844964 /nfs/dbraw/zinc/84/49/64/568844964.db2.gz OPRSNYXVZYQWHS-BRJLIKDPSA-N -1 0 411.288 6.820 40 30 HKEBRM CCc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3[O-])nc2c1 ZINC000003032374 568844984 /nfs/dbraw/zinc/84/49/84/568844984.db2.gz LWAIQAVVGALXJM-WYMPLXKRSA-N -1 0 421.840 6.075 40 30 HKEBRM [O-]c1c(Br)cc(Cl)cc1/C=N/c1cc(-c2ccccc2)ccc1O ZINC000003033549 568845343 /nfs/dbraw/zinc/84/53/43/568845343.db2.gz JHAXGYHGTAFMGE-SSDVNMTOSA-N -1 0 402.675 5.931 40 30 HKEBRM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2cc(-c3ccccc3)ccc2O)c1 ZINC000003033553 568845319 /nfs/dbraw/zinc/84/53/19/568845319.db2.gz AVLMEOTVCUZYEP-SRZZPIQSSA-N -1 0 413.227 5.186 40 30 HKEBRM Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4[O-])ccc3o2)c1 ZINC000003033607 568845304 /nfs/dbraw/zinc/84/53/04/568845304.db2.gz VILWSPTWJFRISY-OPEKNORGSA-N -1 0 411.288 6.875 40 30 HKEBRM CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4c(cccc4C)o3)cc2)c1[O-] ZINC000003033965 568845332 /nfs/dbraw/zinc/84/53/32/568845332.db2.gz WIFNESGOFFRVRN-ZMOGYAJESA-N -1 0 417.421 5.566 40 30 HKEBRM CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1[O-] ZINC000003033977 568845296 /nfs/dbraw/zinc/84/52/96/568845296.db2.gz SHGHKFVIXHPKOS-YDZHTSKRSA-N -1 0 419.462 5.726 40 30 HKEBRM COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1[O-] ZINC000003042708 568848152 /nfs/dbraw/zinc/84/81/52/568848152.db2.gz YYSYWBNYCLUKLP-FOKLQQMPSA-N -1 0 407.357 5.007 40 30 HKEBRM CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1[O-] ZINC000003042717 568848218 /nfs/dbraw/zinc/84/82/18/568848218.db2.gz UWQNEFROPZQCPV-WYMPLXKRSA-N -1 0 421.384 5.397 40 30 HKEBRM Cc1cccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])c3)nc21 ZINC000003044381 568848432 /nfs/dbraw/zinc/84/84/32/568848432.db2.gz XHBRVJCHEHJLPD-BHGWPJFGSA-N -1 0 421.840 6.129 40 30 HKEBRM CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])ccc3o2)cc1 ZINC000003066520 568853454 /nfs/dbraw/zinc/85/34/54/568853454.db2.gz VITFZHOVFVUZOO-AFUMVMLFSA-N -1 0 415.449 6.157 40 30 HKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=Nc1ccc(Br)cc1)C(F)(F)F ZINC000003068050 568853472 /nfs/dbraw/zinc/85/34/72/568853472.db2.gz GLBCLJHUKUEZPZ-KQWNVCNZSA-N -1 0 424.220 5.332 40 30 HKEBRM O=C([O-])c1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000003084224 568854279 /nfs/dbraw/zinc/85/42/79/568854279.db2.gz UXGNZCQMGPQYAK-YDZHTSKRSA-N -1 0 410.267 5.477 40 30 HKEBRM Cc1cc2nc(-c3cccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])c3)oc2c(C)c1 ZINC000003094523 568854982 /nfs/dbraw/zinc/85/49/82/568854982.db2.gz QDTILWFDYUPMOY-BHGWPJFGSA-N -1 0 421.840 6.129 40 30 HKEBRM Cc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4[O-])ccc3o2)cc1 ZINC000003100738 568855363 /nfs/dbraw/zinc/85/53/63/568855363.db2.gz CYDNZNKVQIFDND-SSDVNMTOSA-N -1 0 418.365 5.076 40 30 HKEBRM [O-]c1cc(/N=C/c2c(O)ccc3ccccc32)ccc1-c1nc2cc(Cl)ccc2o1 ZINC000003108865 568856166 /nfs/dbraw/zinc/85/61/66/568856166.db2.gz SKAWOISMKYEQDZ-LGJNPRDNSA-N -1 0 414.848 6.463 40 30 HKEBRM Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1/C=N/c1ccc(-c2nc3ncccc3o2)cc1 ZINC000003114352 568856311 /nfs/dbraw/zinc/85/63/11/568856311.db2.gz CMUYFEVOJNPOIS-YSURURNPSA-N -1 0 422.828 5.524 40 30 HKEBRM Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1/C=N/c1ccc(-c2nc3ccccc3o2)cc1 ZINC000003115460 569236669 /nfs/dbraw/zinc/23/66/69/569236669.db2.gz QSNDCKHVSDUDTC-BHGWPJFGSA-N -1 0 421.840 6.129 40 30 HKEBRM O=[N+]([O-])c1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2Cl)c1[O-] ZINC000003127170 569323030 /nfs/dbraw/zinc/32/30/30/569323030.db2.gz HXDHCALKQHAGJS-CGOBSMCZSA-N -1 0 423.572 5.486 40 30 HKEBRM Cc1ccc2nc(-c3cc(/N=C/c4cccc(Br)c4)ccc3[O-])oc2c1 ZINC000003140215 560725434 /nfs/dbraw/zinc/72/54/34/560725434.db2.gz LEUBPJGTHXBVGQ-FSJBWODESA-N -1 0 407.267 6.022 40 30 HKEBRM Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])cc3)sc2c1 ZINC000003162037 568858784 /nfs/dbraw/zinc/85/87/84/568858784.db2.gz BMMFKNFMKPLAPZ-BHGWPJFGSA-N -1 0 413.329 7.035 40 30 HKEBRM COc1ccc(-c2nc3cc(/N=C/c4cc(C)cc([N+](=O)[O-])c4[O-])ccc3o2)cc1 ZINC000003162660 568858775 /nfs/dbraw/zinc/85/87/75/568858775.db2.gz YCKUZSPYIRSSNU-FSJBWODESA-N -1 0 403.394 5.176 40 30 HKEBRM Cc1ccc2oc(-c3cc(/N=C/c4cc(C)cc([N+](=O)[O-])c4[O-])ccc3Cl)nc2c1 ZINC000003162663 568858762 /nfs/dbraw/zinc/85/87/62/568858762.db2.gz RTFRKCFARCREPL-BHGWPJFGSA-N -1 0 421.840 6.129 40 30 HKEBRM Cc1cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c([O-])c([N+](=O)[O-])c1 ZINC000003162673 568858779 /nfs/dbraw/zinc/85/87/79/568858779.db2.gz UZNFXJCIVMGBPO-FOKLQQMPSA-N -1 0 407.813 5.821 40 30 HKEBRM Cc1cc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c([O-])c([N+](=O)[O-])c1 ZINC000003162675 568858830 /nfs/dbraw/zinc/85/88/30/568858830.db2.gz JBWMKAUNBYPEQD-FOKLQQMPSA-N -1 0 407.813 5.821 40 30 HKEBRM Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000003162696 568858817 /nfs/dbraw/zinc/85/88/17/568858817.db2.gz NACLXOKVVAHDSP-FOKLQQMPSA-N -1 0 407.813 5.821 40 30 HKEBRM Cc1cc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c([O-])c([N+](=O)[O-])c1 ZINC000003162804 568858814 /nfs/dbraw/zinc/85/88/14/568858814.db2.gz WUTWTAKDMOJUDJ-FOKLQQMPSA-N -1 0 407.813 5.821 40 30 HKEBRM Cc1cc2nc(-c3ccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])cc3)oc2cc1C ZINC000003162831 568858822 /nfs/dbraw/zinc/85/88/22/568858822.db2.gz PPVPAMIFPYYJSB-BHGWPJFGSA-N -1 0 421.840 6.129 40 30 HKEBRM Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)cc(Cl)c4[O-])c3)nc2c1 ZINC000003191021 560588793 /nfs/dbraw/zinc/58/87/93/560588793.db2.gz QVNGHLNHIOPLFI-OPEKNORGSA-N -1 0 411.288 6.875 40 30 HKEBRM Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])c3)nc2c1 ZINC000003191026 560588767 /nfs/dbraw/zinc/58/87/67/560588767.db2.gz JRUMNGBXEHIBPW-BHGWPJFGSA-N -1 0 421.840 6.129 40 30 HKEBRM Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])c(C)c3)nc2c1 ZINC000003191548 560588882 /nfs/dbraw/zinc/58/88/82/560588882.db2.gz DZSMAKLLILVCGZ-OPEKNORGSA-N -1 0 411.288 6.875 40 30 HKEBRM O=c1oc2ccccc2cc1-c1cccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000003206803 568846391 /nfs/dbraw/zinc/84/63/91/568846391.db2.gz FKFPFOUCILIKNJ-BRJLIKDPSA-N -1 0 410.256 6.223 40 30 HKEBRM O=c1oc2ccccc2cc1-c1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000003208239 568861823 /nfs/dbraw/zinc/86/18/23/568861823.db2.gz XIVXPKFDIAFEAQ-WYMPLXKRSA-N -1 0 420.808 5.478 40 30 HKEBRM CCCCCCCCOC(=O)C1[C@H](c2ccccc2)C(C(=O)[O-])[C@@H]1c1ccccc1 ZINC000003670898 560891608 /nfs/dbraw/zinc/89/16/08/560891608.db2.gz GGXSLJIBPXWBFG-KFGJODCASA-N -1 0 408.538 5.788 40 30 HKEBRM CC(/C=C/[C@@]1(C)[C@H](C)C=CC(=O)[C@@H]1C)=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O ZINC000003945396 291283397 /nfs/dbraw/zinc/28/33/97/291283397.db2.gz ZLAQYJKDQSZARB-FLDGXQSCSA-N -1 0 402.918 5.335 40 30 biogenic,in-vitro HKEBRM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1cc(C)ccc1C ZINC000004179804 568949277 /nfs/dbraw/zinc/94/92/77/568949277.db2.gz MCNPJRXRYVFMDS-PLRJNAJWSA-N -1 0 423.929 5.271 40 30 HKEBRM CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC(=O)[O-])[C@H]12 ZINC000004217231 557529382 /nfs/dbraw/zinc/52/93/82/557529382.db2.gz DNHCHRGCTVRAFT-JEHIOXJOSA-N -1 0 402.575 5.140 40 30 in-man HKEBRM Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])c3)nc2c1 ZINC000004359231 557546304 /nfs/dbraw/zinc/54/63/04/557546304.db2.gz DSDHHPBBRFCSII-FOKLQQMPSA-N -1 0 407.813 5.821 40 30 HKEBRM O=C([O-])c1ccc(/N=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1 ZINC000004482590 557558528 /nfs/dbraw/zinc/55/85/28/557558528.db2.gz OKQBYLRUISQAPF-UFFVCSGVSA-N -1 0 404.647 5.811 40 30 HKEBRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2cccc3ccccc23)cc1 ZINC000004526636 557563892 /nfs/dbraw/zinc/56/38/92/557563892.db2.gz ARCXFJATZIPTEF-KOEQRZSOSA-N -1 0 400.503 5.700 40 30 HKEBRM CCCCCC[C@@H]1C=C[C@H](CCCCCCCC(=O)[O-])C(C#N)(C#N)C1(C#N)C#N ZINC000004722258 557586535 /nfs/dbraw/zinc/58/65/35/557586535.db2.gz JHXZJCCNJJAREJ-RTWAWAEBSA-N -1 0 408.546 5.641 40 30 HKEBRM CCCCCC[C@H]1C=C[C@H](CCCCCCCC(=O)[O-])C(C#N)(C#N)C1(C#N)C#N ZINC000004722260 557586509 /nfs/dbraw/zinc/58/65/09/557586509.db2.gz JHXZJCCNJJAREJ-SFTDATJTSA-N -1 0 408.546 5.641 40 30 HKEBRM CCCCCC[C@@H]1C=C[C@@H](CCCCCCCC(=O)[O-])C(C#N)(C#N)C1(C#N)C#N ZINC000004722262 557586470 /nfs/dbraw/zinc/58/64/70/557586470.db2.gz JHXZJCCNJJAREJ-NHCUHLMSSA-N -1 0 408.546 5.641 40 30 HKEBRM CCCCCC[C@H]1C=C[C@@H](CCCCCCCC(=O)[O-])C(C#N)(C#N)C1(C#N)C#N ZINC000004722263 557586524 /nfs/dbraw/zinc/58/65/24/557586524.db2.gz JHXZJCCNJJAREJ-LEWJYISDSA-N -1 0 408.546 5.641 40 30 HKEBRM COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OCc2ccccc2)cc1[O-] ZINC000004727066 557587470 /nfs/dbraw/zinc/58/74/70/557587470.db2.gz OQXQZGIDTHOTGF-CCEZHUSRSA-N -1 0 410.469 6.029 40 30 HKEBRM Cc1cc2nc(-c3ccc(C)c(/N=C\c4cc([N+](=O)[O-])cc(C)c4[O-])c3)oc2c(C)c1 ZINC000004837963 560609275 /nfs/dbraw/zinc/60/92/75/560609275.db2.gz FGUICYOINZHLQU-ROTLSHHCSA-N -1 0 415.449 6.093 40 30 HKEBRM O=C([O-])c1ccc([N-][NH+]=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000004871820 560614298 /nfs/dbraw/zinc/61/42/98/560614298.db2.gz DQVNIEQMPIZMEY-ZXVVBBHZSA-N -1 0 407.473 6.301 40 30 HKEBRM Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(S[C@@H](C)C(=O)[O-])n2)cc1 ZINC000004952450 560617081 /nfs/dbraw/zinc/61/70/81/560617081.db2.gz PKJCLCUBKWCNBB-AWEZNQCLSA-N -1 0 408.910 5.814 40 30 HKEBRM Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(S[C@H](C)C(=O)[O-])n2)cc1 ZINC000004952452 560617159 /nfs/dbraw/zinc/61/71/59/560617159.db2.gz PKJCLCUBKWCNBB-CQSZACIVSA-N -1 0 408.910 5.814 40 30 HKEBRM CCCCOc1ccc(CN=Nc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000005002593 557624206 /nfs/dbraw/zinc/62/42/06/557624206.db2.gz SOONMCWSNSEWHW-YZSQISJMSA-N -1 0 412.493 5.627 40 30 HKEBRM COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4ccc(C)cc4o3)c2)c1[O-] ZINC000005005169 560620602 /nfs/dbraw/zinc/62/06/02/560620602.db2.gz HHKSKLJJVJLJCV-FSJBWODESA-N -1 0 403.394 5.176 40 30 HKEBRM COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2C)c1[O-] ZINC000005005632 560620592 /nfs/dbraw/zinc/62/05/92/560620592.db2.gz XWWCHBYWLYLHDA-WYMPLXKRSA-N -1 0 417.421 5.485 40 30 HKEBRM Cc1cccc(-c2nc3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])ccc3o2)c1 ZINC000005005938 560620660 /nfs/dbraw/zinc/62/06/60/560620660.db2.gz UUPZQKFWUHBDKE-FOKLQQMPSA-N -1 0 407.813 5.821 40 30 HKEBRM CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1[O-] ZINC000005006208 560620638 /nfs/dbraw/zinc/62/06/38/560620638.db2.gz XBSWYFHETMCVPT-ZMOGYAJESA-N -1 0 417.421 5.566 40 30 HKEBRM CCOc1cc(C=Nn2c(=S)[n-]nc2CC)ccc1OCc1ccc(Cl)cc1 ZINC000005236554 560737301 /nfs/dbraw/zinc/73/73/01/560737301.db2.gz JWNWMYMWYLDCHU-WSDLNYQXSA-N -1 0 416.934 5.016 40 30 HKEBRM CN(C)c1ccc(/C=N/c2ccc(OCCCCCCCCCCC(=O)[O-])cc2)cc1 ZINC000005390247 557650337 /nfs/dbraw/zinc/65/03/37/557650337.db2.gz PHDJERWUKXIOQC-SZXQPVLSSA-N -1 0 424.585 6.478 40 30 HKEBRM N#Cc1c(SCc2ccc(C(=O)[O-])cc2)nc(-c2ccco2)cc1C(F)(F)F ZINC000005394910 560581112 /nfs/dbraw/zinc/58/11/12/560581112.db2.gz UFQJYHFKICOUBG-UHFFFAOYSA-N -1 0 404.369 5.223 40 30 HKEBRM O=C1C(=O)C(C(c2ccccc2)c2ccccc2)=C([O-])c2cc(Br)ccc21 ZINC000005479633 557656300 /nfs/dbraw/zinc/65/63/00/557656300.db2.gz CKLVCECUVUGTGQ-UHFFFAOYSA-N -1 0 419.274 5.472 40 30 HKEBRM COc1ccc(NC=C2c3oc4cc(Cl)c([O-])c(Cl)c4c3CCC2=O)cc1 ZINC000005487838 557657017 /nfs/dbraw/zinc/65/70/17/557657017.db2.gz GOSOFAONCKLXHN-UKTHLTGXSA-N -1 0 404.249 5.422 40 30 HKEBRM N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])oc(-c2ccccc2)c1-c1ccccc1 ZINC000005490290 560737761 /nfs/dbraw/zinc/73/77/61/560737761.db2.gz YXANHFFXYJUKFG-CVKSISIWSA-N -1 0 409.401 5.850 40 30 HKEBRM COc1cc(Cl)cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O ZINC000005512350 569361702 /nfs/dbraw/zinc/36/17/02/569361702.db2.gz POGALQHIBGYAMI-WYMPLXKRSA-N -1 0 415.276 5.711 40 30 HKEBRM COc1ccc(-c2ccc(/C=N\c3ccc([O-])c(-c4nc5ccccc5o4)c3)o2)cc1 ZINC000005514016 557659082 /nfs/dbraw/zinc/65/90/82/557659082.db2.gz VEDDNDRITCMLEM-YSMPRRRNSA-N -1 0 410.429 6.220 40 30 HKEBRM Cc1cc(/N=C/c2cccc([N+](=O)[O-])c2[O-])ccc1-c1cc2ccccc2oc1=O ZINC000005541257 557660270 /nfs/dbraw/zinc/66/02/70/557660270.db2.gz SCKGEQDHIQFYIG-ZMOGYAJESA-N -1 0 400.390 5.133 40 30 HKEBRM N#Cc1c(SCC(=O)[O-])nc(-c2ccco2)cc1-c1ccc(C(F)(F)F)cc1 ZINC000005555818 560608377 /nfs/dbraw/zinc/60/83/77/560608377.db2.gz ASKBHUFUOGRUFG-UHFFFAOYSA-N -1 0 404.369 5.076 40 30 HKEBRM Oc1c(Cc2ccc(Cl)cc2)cc(C2CCCCC2)cc1/N=C/c1cccnc1 ZINC000005580079 557663172 /nfs/dbraw/zinc/66/31/72/557663172.db2.gz VNINJOSBIZDJSU-OGLMXYFKSA-N -1 0 404.941 6.830 40 30 HKEBRM CCCCc1ccc(/N=C/c2cc(Br)cc(Br)c2[O-])cc1 ZINC000005597370 557664331 /nfs/dbraw/zinc/66/43/31/557664331.db2.gz AILVEWMZOHTDPW-RGVLZGJSSA-N -1 0 411.137 6.010 40 30 HKEBRM Oc1ccc2ccccc2c1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000005604458 557664978 /nfs/dbraw/zinc/66/49/78/557664978.db2.gz YWFQQQDCCGFDCY-WPWMEQJKSA-N -1 0 406.510 7.087 40 30 HKEBRM CCN1C(=O)C(=CNc2ccccc2)S/C1=N/[N-]c1nc(-c2ccccc2)cs1 ZINC000005734059 557671554 /nfs/dbraw/zinc/67/15/54/557671554.db2.gz ANVVUUZZMXFCGG-HRRHUGIKSA-N -1 0 421.551 5.042 40 30 HKEBRM CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])c1 ZINC000005841400 557677102 /nfs/dbraw/zinc/67/71/02/557677102.db2.gz FDENOQNWHXAPQW-MFKUBSTISA-N -1 0 417.465 5.236 40 30 HKEBRM CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C#N)cc1 ZINC000005875326 568827379 /nfs/dbraw/zinc/82/73/79/568827379.db2.gz WBTZSVMEBLOJEW-ZMYBRWDISA-N -1 0 424.566 5.938 40 30 HKEBRM CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C#N)cc1 ZINC000005875328 568827446 /nfs/dbraw/zinc/82/74/46/568827446.db2.gz WBTZSVMEBLOJEW-CCKFTAQKSA-N -1 0 424.566 5.938 40 30 HKEBRM COc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1ccccc1 ZINC000005879836 557678750 /nfs/dbraw/zinc/67/87/50/557678750.db2.gz MNAVICLDNOSQGO-IWIPYMOSSA-N -1 0 416.506 5.077 40 30 HKEBRM CCC(=O)Nc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2[O-])cc1 ZINC000005950716 557682379 /nfs/dbraw/zinc/68/23/79/557682379.db2.gz ZNPFOPDVBQHMPI-ZVBGSRNCSA-N -1 0 409.711 5.524 40 30 HKEBRM CCC(=O)Nc1cccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2[O-])c1 ZINC000005950761 557682358 /nfs/dbraw/zinc/68/23/58/557682358.db2.gz LOTJFSDFCLFGEN-ZVBGSRNCSA-N -1 0 409.711 5.524 40 30 HKEBRM Cc1cc(/N=C/c2cccc([N+](=O)[O-])c2[O-])ccc1NC(=O)c1cc2ccccc2o1 ZINC000005960460 557682826 /nfs/dbraw/zinc/68/28/26/557682826.db2.gz JWULVASJXBSBPW-ZMOGYAJESA-N -1 0 415.405 5.358 40 30 HKEBRM CCOc1ccc2ccccc2c1C=C1SC(=N)C(c2nnc(CC)s2)=C1[O-] ZINC000005988023 569361876 /nfs/dbraw/zinc/36/18/76/569361876.db2.gz DWRBJSDIUHFJTD-WDGURZEJSA-N -1 0 409.536 5.070 40 30 HKEBRM Cc1cc(/C=N/c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000006177774 569017553 /nfs/dbraw/zinc/01/75/53/569017553.db2.gz VDIZHDNQXKPOKR-YSURURNPSA-N -1 0 421.711 6.503 40 30 HKEBRM CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc(Br)c2[O-])c1 ZINC000006396796 568483736 /nfs/dbraw/zinc/48/37/36/568483736.db2.gz RCEAWEJJIYCRBR-SRZZPIQSSA-N -1 0 409.711 5.687 40 30 HKEBRM CCCCC(=O)Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2[O-])c1 ZINC000006396805 568483207 /nfs/dbraw/zinc/48/32/07/568483207.db2.gz GNWHSQFNMFFVAQ-SRZZPIQSSA-N -1 0 409.711 5.687 40 30 HKEBRM CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])cc3)nc2c1 ZINC000006440195 560742244 /nfs/dbraw/zinc/74/22/44/560742244.db2.gz SHOWLYPGVRWFPY-PVLQNKMRSA-N -1 0 415.449 6.373 40 30 HKEBRM CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000006440234 569361911 /nfs/dbraw/zinc/36/19/11/569361911.db2.gz XHPUNUATBBBMIE-JZOCJUILSA-N -1 0 411.137 6.181 40 30 HKEBRM N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)nc1SCC(=O)[O-] ZINC000006445010 569052888 /nfs/dbraw/zinc/05/28/88/569052888.db2.gz BBYARLSPDSRJMJ-UHFFFAOYSA-N -1 0 415.301 5.771 40 30 HKEBRM CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])cc3)nc2c1 ZINC000006449719 560742273 /nfs/dbraw/zinc/74/22/73/560742273.db2.gz SHOWLYPGVRWFPY-CAUYNWHBSA-N -1 0 415.449 6.373 40 30 HKEBRM CC[C@H](C)c1ccccc1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000006449781 569361863 /nfs/dbraw/zinc/36/18/63/569361863.db2.gz XHPUNUATBBBMIE-KKBVUKDESA-N -1 0 411.137 6.181 40 30 HKEBRM CC(C)(C)c1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc(C(C)(C)C)c1O ZINC000006459288 560868777 /nfs/dbraw/zinc/86/87/77/560868777.db2.gz APPQTWXGKMRRDL-ZVHZXABRSA-N -1 0 408.571 5.790 40 30 HKEBRM O=[N+]([O-])c1cccc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1[O-] ZINC000006476826 557704373 /nfs/dbraw/zinc/70/43/73/557704373.db2.gz IUNNJRAHDSIGAT-SSDVNMTOSA-N -1 0 409.854 5.981 40 30 HKEBRM Cc1cc(Br)c([N-]C(=S)SCc2ccc(Cl)cc2)cc1C ZINC000006484352 557704669 /nfs/dbraw/zinc/70/46/69/557704669.db2.gz OWMAQXMUOLXBRL-UHFFFAOYSA-N -1 0 400.794 6.570 40 30 HKEBRM Cc1cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c([O-])c([N+](=O)[O-])c1 ZINC000006500596 569361872 /nfs/dbraw/zinc/36/18/72/569361872.db2.gz KKDAPQZFSKJAMC-FSJBWODESA-N -1 0 409.829 5.265 40 30 HKEBRM Cc1cc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c([O-])c([N+](=O)[O-])c1 ZINC000006503794 569361931 /nfs/dbraw/zinc/36/19/31/569361931.db2.gz WVXOYHUCMVEBPY-WYMPLXKRSA-N -1 0 401.422 5.784 40 30 HKEBRM [O-]c1c(Br)cc(Br)cc1/C=N/C12CC3CC(CC(C3)C1)C2 ZINC000006505210 560743885 /nfs/dbraw/zinc/74/38/85/560743885.db2.gz WSVJPXMFSPUPOG-AWQFTUOYSA-N -1 0 413.153 5.305 40 30 HKEBRM [O-]c1cc(Br)c(/N=C/c2cc(Cl)ccc2O)c(Br)c1 ZINC000006505449 569361921 /nfs/dbraw/zinc/36/19/21/569361921.db2.gz PFKIHRMKKUZVCE-UBKPWBPPSA-N -1 0 405.473 5.027 40 30 HKEBRM S=C([N-]c1ccc(Br)cc1)SCc1ccc(Cl)c(Cl)c1 ZINC000006512114 557706194 /nfs/dbraw/zinc/70/61/94/557706194.db2.gz AOZXIXDHVSKSCI-UHFFFAOYSA-N -1 0 407.185 6.607 40 30 HKEBRM Cc1cc(/C=N/c2cccc(-c3cc4ccccc4oc3=O)c2)c([O-])c([N+](=O)[O-])c1 ZINC000006527720 557706397 /nfs/dbraw/zinc/70/63/97/557706397.db2.gz QSMFQGQNFNMFMP-ZMOGYAJESA-N -1 0 400.390 5.133 40 30 HKEBRM [O-]c1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1Br ZINC000006528542 569361844 /nfs/dbraw/zinc/36/18/44/569361844.db2.gz MFXRKGPABQLGDH-SSDVNMTOSA-N -1 0 409.239 5.419 40 30 HKEBRM CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])c3)nc2c1 ZINC000006554903 569361892 /nfs/dbraw/zinc/36/18/92/569361892.db2.gz CTPLRAMBEOQGIC-PVLQNKMRSA-N -1 0 415.449 6.373 40 30 HKEBRM CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cccc([N+](=O)[O-])c4[O-])c3)nc2c1 ZINC000006554904 569361856 /nfs/dbraw/zinc/36/18/56/569361856.db2.gz XLCYDEVTCOAUMV-PVLQNKMRSA-N -1 0 415.449 6.373 40 30 HKEBRM CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])c3)nc2c1 ZINC000006555321 569362109 /nfs/dbraw/zinc/36/21/09/569362109.db2.gz CTPLRAMBEOQGIC-CAUYNWHBSA-N -1 0 415.449 6.373 40 30 HKEBRM CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cccc([N+](=O)[O-])c4[O-])c3)nc2c1 ZINC000006555322 569362077 /nfs/dbraw/zinc/36/20/77/569362077.db2.gz XLCYDEVTCOAUMV-CAUYNWHBSA-N -1 0 415.449 6.373 40 30 HKEBRM CC(=O)c1ccc(N=Cc2cc(Cc3ccccc3)cc(Br)c2[O-])cc1 ZINC000006614906 557710476 /nfs/dbraw/zinc/71/04/76/557710476.db2.gz QVJDFGUMTMOTRG-ZVHZXABRSA-N -1 0 408.295 5.699 40 30 HKEBRM O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccccc2N2CCCC2)c1[O-] ZINC000006615990 557710466 /nfs/dbraw/zinc/71/04/66/557710466.db2.gz NYPNXJWIOSLDOX-KOEQRZSOSA-N -1 0 401.466 5.242 40 30 HKEBRM O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c1[O-] ZINC000006694547 557715462 /nfs/dbraw/zinc/71/54/62/557715462.db2.gz BNQHIUOACVXDJW-AUEPDCJTSA-N -1 0 410.792 5.387 40 30 HKEBRM [O-]c1c(Br)cc2oc3c(c2c1/C=N/c1ccc(Cl)cn1)CCCC3 ZINC000006863433 557727437 /nfs/dbraw/zinc/72/74/37/557727437.db2.gz PNWNPYIYOOQOEI-LSFURLLWSA-N -1 0 405.679 5.579 40 30 HKEBRM CCCOC(=O)c1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1 ZINC000006891045 557729091 /nfs/dbraw/zinc/72/90/91/557729091.db2.gz KUGPUWFAQLLUQJ-WGOQTCKBSA-N -1 0 407.897 5.954 40 30 HKEBRM CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000008196562 557775118 /nfs/dbraw/zinc/77/51/18/557775118.db2.gz BYZGKOBNDWWMOC-PVLQNKMRSA-N -1 0 415.449 6.373 40 30 HKEBRM CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000008198124 557775364 /nfs/dbraw/zinc/77/53/64/557775364.db2.gz BYZGKOBNDWWMOC-CAUYNWHBSA-N -1 0 415.449 6.373 40 30 HKEBRM C=CCOc1c(Cl)cc(Cc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)cc1OC ZINC000008306593 568497227 /nfs/dbraw/zinc/49/72/27/568497227.db2.gz KAENCRJCWMNLPC-QGZVFWFLSA-N -1 0 419.308 5.148 40 30 HKEBRM [O-]c1c(Br)cc(/N=C/c2cc(Cl)ccc2O)cc1Br ZINC000008377091 569362218 /nfs/dbraw/zinc/36/22/18/569362218.db2.gz SEHHIEQLDWIEDF-UBKPWBPPSA-N -1 0 405.473 5.027 40 30 HKEBRM O=[N+]([O-])c1ccccc1/N=C/c1cc(Cc2ccccc2)cc(Br)c1[O-] ZINC000008381346 557784526 /nfs/dbraw/zinc/78/45/26/557784526.db2.gz XNGWXNUVKXKLNA-LPYMAVHISA-N -1 0 411.255 5.404 40 30 HKEBRM C=C1C(=O)C(=O)C(CCCCCCCCCCCCC/C=C/CCCC)=C([O-])C1O ZINC000008382368 557784688 /nfs/dbraw/zinc/78/46/88/557784688.db2.gz UEFNZITZGVWLFK-VOTSOKGWSA-N -1 0 418.618 7.600 40 30 biogenic,in-vitro HKEBRM CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1[O-] ZINC000008935017 560640477 /nfs/dbraw/zinc/64/04/77/560640477.db2.gz IJIUVMPJBJXFMX-WYMPLXKRSA-N -1 0 421.384 5.397 40 30 HKEBRM O=C([O-])c1cc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)ccc1Cl ZINC000009195584 557827505 /nfs/dbraw/zinc/82/75/05/557827505.db2.gz FIAXACWKNMVPBA-NUGSKGIGSA-N -1 0 423.683 5.729 40 30 HKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(C=NNc3ccc(Br)cc3)o2)c1 ZINC000009233783 557830997 /nfs/dbraw/zinc/83/09/97/557830997.db2.gz UQTSOUPGBGUMHC-UFFVCSGVSA-N -1 0 419.662 5.507 40 30 HKEBRM CN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000009261610 557833364 /nfs/dbraw/zinc/83/33/64/557833364.db2.gz YWFWPXRSJRHBIC-RVFNTIOESA-N -1 0 422.437 5.018 40 30 HKEBRM CN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000009261613 557833405 /nfs/dbraw/zinc/83/34/05/557833405.db2.gz WGZOVOKXNKSZTR-RVFNTIOESA-N -1 0 422.437 5.018 40 30 HKEBRM [O-]c1c(Cl)cc(Cl)cc1C=Nc1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000009925876 526324438 /nfs/dbraw/zinc/32/44/38/526324438.db2.gz UKBAFYYDZVKKQG-DNTJNYDQSA-N -1 0 411.086 5.602 40 30 HKEBRM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Br)cc1 ZINC000012381756 558393594 /nfs/dbraw/zinc/39/35/94/558393594.db2.gz HCCJFFGINWYZER-MTJSOVHGSA-N -1 0 415.360 5.550 40 30 HKEBRM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)cc2Cl)cc1 ZINC000012463280 569401545 /nfs/dbraw/zinc/40/15/45/569401545.db2.gz YQXKGUJOMJIAFQ-JJFYIABZSA-N -1 0 405.354 6.094 40 30 HKEBRM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000012463464 569401606 /nfs/dbraw/zinc/40/16/06/569401606.db2.gz MUFCLWAKVXJBIC-JJFYIABZSA-N -1 0 405.354 6.094 40 30 HKEBRM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2c(Cl)cccc2Cl)cc1 ZINC000012463632 569401535 /nfs/dbraw/zinc/40/15/35/569401535.db2.gz JETHSXMWVXMJRE-JJFYIABZSA-N -1 0 405.354 6.094 40 30 HKEBRM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Br)cc2)cc1 ZINC000012465341 569401540 /nfs/dbraw/zinc/40/15/40/569401540.db2.gz GWPMKJRFDFBKFC-MTJSOVHGSA-N -1 0 415.360 5.550 40 30 HKEBRM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(Cl)c2Cl)cc1 ZINC000012465938 569401632 /nfs/dbraw/zinc/40/16/32/569401632.db2.gz VZCSYUHRRGNDKC-JJFYIABZSA-N -1 0 405.354 6.094 40 30 HKEBRM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(Br)c2)cc1 ZINC000012466507 569401561 /nfs/dbraw/zinc/40/15/61/569401561.db2.gz IKEQMRPFYAIWFX-MTJSOVHGSA-N -1 0 415.360 5.550 40 30 HKEBRM O=C([O-])c1nc(Cl)c(Cl)c(N=NCc2ccccc2C(F)(F)F)c1Cl ZINC000012473435 560780897 /nfs/dbraw/zinc/78/08/97/560780897.db2.gz LQMUUYNCEBORAJ-IGCPIRJNSA-N -1 0 412.582 5.205 40 30 HKEBRM Cc1ccc(NN=Cc2cc(Br)cc(Br)c2[O-])cc1Cl ZINC000012566200 569401830 /nfs/dbraw/zinc/40/18/30/569401830.db2.gz HOIANBCNNVMMCD-CNHKJKLMSA-N -1 0 418.516 5.325 40 30 HKEBRM O=C(Nc1cccc(/N=C/c2cc(Cl)cc(Br)c2[O-])c1)c1ccco1 ZINC000013126096 560800240 /nfs/dbraw/zinc/80/02/40/560800240.db2.gz QWMBWLLSPJNPDR-UFFVCSGVSA-N -1 0 419.662 5.404 40 30 HKEBRM CC(/C=C/[C@]1(C)[C@H](C)C=CC(=O)[C@@H]1C)=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O ZINC000013373374 560215331 /nfs/dbraw/zinc/21/53/31/560215331.db2.gz ZLAQYJKDQSZARB-DLCMNRSOSA-N -1 0 402.918 5.335 40 30 biogenic,in-vitro HKEBRM CC(/C=C/[C@@]1(C)[C@@H](C)C(=O)C=C[C@@H]1C)=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O ZINC000013373375 560215322 /nfs/dbraw/zinc/21/53/22/560215322.db2.gz ZLAQYJKDQSZARB-PUOCTXPVSA-N -1 0 402.918 5.335 40 30 biogenic,in-vitro HKEBRM CC(/C=C/[C@]1(C)[C@@H](C)C(=O)C=C[C@@H]1C)=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O ZINC000013373376 560806061 /nfs/dbraw/zinc/80/60/61/560806061.db2.gz ZLAQYJKDQSZARB-FGSUCJDLSA-N -1 0 402.918 5.335 40 30 biogenic,in-vitro HKEBRM COc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])ccc3o2)cc1 ZINC000013475884 560811002 /nfs/dbraw/zinc/81/10/02/560811002.db2.gz HXTQAKTUHNYMGR-FOKLQQMPSA-N -1 0 423.812 5.521 40 30 HKEBRM Cc1ccc2oc(-c3cc(/N=C/c4cc(Br)ccc4O)ccc3[O-])nc2c1 ZINC000013476650 560810991 /nfs/dbraw/zinc/81/09/91/560810991.db2.gz ONUPZLOEMLFQPW-FOKLQQMPSA-N -1 0 423.266 5.728 40 30 HKEBRM COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000013476693 560811005 /nfs/dbraw/zinc/81/10/05/560811005.db2.gz BMEPAQVKZPHNTN-FOKLQQMPSA-N -1 0 423.812 5.521 40 30 HKEBRM CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1[O-] ZINC000013476816 560811014 /nfs/dbraw/zinc/81/10/14/560811014.db2.gz DQYFLHDCWMAKRA-WYMPLXKRSA-N -1 0 421.384 5.397 40 30 HKEBRM O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1[O-] ZINC000013477978 560811108 /nfs/dbraw/zinc/81/11/08/560811108.db2.gz ZBXVTMKMPKOKOD-AUEPDCJTSA-N -1 0 411.776 5.652 40 30 HKEBRM [O-]c1cc(/N=C/c2ccc(OCc3ccccc3)cc2)ccc1-c1nc2ccccc2o1 ZINC000014920625 558679319 /nfs/dbraw/zinc/67/93/19/558679319.db2.gz LEIFXYSPVQJROE-OGLMXYFKSA-N -1 0 420.468 6.530 40 30 HKEBRM Cc1cccc2c1nc1[n-]c(NN=Cc3ccc(-c4ccc(Cl)cc4)o3)nnc2-1 ZINC000015016452 558702010 /nfs/dbraw/zinc/70/20/10/558702010.db2.gz NZYNSXJYYKJSGW-FOKLQQMPSA-N -1 0 402.845 5.174 40 30 HKEBRM Clc1ccc(-c2ccc(C=NNc3nnc4c5ccccc5nc-4[n-]3)o2)c(Cl)c1 ZINC000015018458 558702938 /nfs/dbraw/zinc/70/29/38/558702938.db2.gz MSCYQJIIQGENAV-AUEPDCJTSA-N -1 0 423.263 5.519 40 30 HKEBRM O=C([O-])c1ccc(/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 ZINC000015224770 560854185 /nfs/dbraw/zinc/85/41/85/560854185.db2.gz WFFSOWXQEFJMPN-JMIUGGIZSA-N -1 0 415.199 5.066 40 30 HKEBRM O=C([O-])c1ccc(COc2ccccc2/C=N/N(c2ccccc2)c2ccccc2)cc1 ZINC000015231284 560853945 /nfs/dbraw/zinc/85/39/45/560853945.db2.gz XARPXDXOKALRAW-TURZUDJPSA-N -1 0 422.484 6.136 40 30 HKEBRM CCc1ccc2oc(-c3cc(/N=C\c4cc(Cl)cc(OC)c4O)ccc3[O-])nc2c1 ZINC000016162193 558774784 /nfs/dbraw/zinc/77/47/84/558774784.db2.gz FPWMMTMMCDBFNV-ROTLSHHCSA-N -1 0 422.868 5.881 40 30 HKEBRM CCc1ccc2oc(-c3cc(/N=C\c4cc5c(cc4Cl)OCO5)ccc3[O-])nc2c1 ZINC000016162199 558774798 /nfs/dbraw/zinc/77/47/98/558774798.db2.gz XACKNEHPNGSHBS-GATIEOLUSA-N -1 0 420.852 5.896 40 30 HKEBRM COc1ccc(/N=C/c2cc(Cl)cc(Br)c2[O-])cc1Br ZINC000016226571 558779812 /nfs/dbraw/zinc/77/98/12/558779812.db2.gz KZJMGNJOWFSSLD-CNHKJKLMSA-N -1 0 419.500 5.330 40 30 HKEBRM COc1ccc(/N=C/c2cc(Br)cc(Cl)c2[O-])cc1Br ZINC000016226575 558779792 /nfs/dbraw/zinc/77/97/92/558779792.db2.gz IZWGFXNPJHJCRD-CNHKJKLMSA-N -1 0 419.500 5.330 40 30 HKEBRM Cc1cc(-c2ccc(C=NNc3ccc(Cl)c(C(=O)[O-])c3)o2)c([N+](=O)[O-])cc1C ZINC000016268042 558782518 /nfs/dbraw/zinc/78/25/18/558782518.db2.gz ZJXDXLUHKIWODK-LSHDLFTRSA-N -1 0 413.817 5.269 40 30 HKEBRM Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1[O-] ZINC000016269527 558782913 /nfs/dbraw/zinc/78/29/13/558782913.db2.gz ALQMOFQUQPZYEH-FOKLQQMPSA-N -1 0 406.829 5.556 40 30 HKEBRM Cc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2C)c1[O-] ZINC000016269566 558782940 /nfs/dbraw/zinc/78/29/40/558782940.db2.gz KNMNOEVHIBNXLP-BHGWPJFGSA-N -1 0 421.840 6.129 40 30 HKEBRM COc1cc(Cl)cc(/C=N\c2ccc([O-])c(-c3nc4cc(C)c(C)cc4o3)c2)c1O ZINC000016284179 558783497 /nfs/dbraw/zinc/78/34/97/558783497.db2.gz QXIFNQZWRYEBFL-GATIEOLUSA-N -1 0 422.868 5.935 40 30 HKEBRM Cc1ccc(O)c(/C(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)=N/[O-])c1 ZINC000016284617 558783730 /nfs/dbraw/zinc/78/37/30/558783730.db2.gz JPSRVTMNOYPXIS-LHLOQNFPSA-N -1 0 416.502 5.993 40 30 HKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000016429687 526324394 /nfs/dbraw/zinc/32/43/94/526324394.db2.gz AWJABDIMKBPWCI-YSURURNPSA-N -1 0 401.224 6.397 40 30 HKEBRM [O-]/N=C/c1ccccc1OCc1nc2ccccc2nc1Cc1ccc(Cl)cc1 ZINC000016449070 527590035 /nfs/dbraw/zinc/59/00/35/527590035.db2.gz VSANYBJJVBUYNK-AFUMVMLFSA-N -1 0 403.869 5.261 40 30 HKEBRM O=S(=O)([N-]c1ccc(Cl)cc1/C(=N/O)c1ccccc1)c1ccc(Cl)cc1 ZINC000016450754 558792404 /nfs/dbraw/zinc/79/24/04/558792404.db2.gz KIRPBMNEJXKYST-ZBJSNUHESA-N -1 0 421.305 5.021 40 30 HKEBRM O=C([O-])c1ccc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000016451090 560860816 /nfs/dbraw/zinc/86/08/16/560860816.db2.gz JAULBKNWXFXQCL-MIIQOVFOSA-N -1 0 406.507 5.322 40 30 HKEBRM O=C1c2ccccc2S/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000016524240 560860963 /nfs/dbraw/zinc/86/09/63/560860963.db2.gz WPZUSUPVESNIOU-NTUHNPAUSA-N -1 0 412.102 5.247 40 30 HKEBRM CCC(=O)Nc1cc(/N=C/c2cc(Cl)cc(Br)c2[O-])ccc1Cl ZINC000016609878 558796732 /nfs/dbraw/zinc/79/67/32/558796732.db2.gz XAOPKPMRIYHCBO-DNTJNYDQSA-N -1 0 416.102 5.561 40 30 HKEBRM CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C\c4cccc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000016610636 558796725 /nfs/dbraw/zinc/79/67/25/558796725.db2.gz BYZGKOBNDWWMOC-MLGZCZAZSA-N -1 0 415.449 6.373 40 30 HKEBRM CC[C@H](C)c1ccc2oc(-c3ccc(/N=C\c4cccc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000016610639 558796751 /nfs/dbraw/zinc/79/67/51/558796751.db2.gz BYZGKOBNDWWMOC-XFRWHIHTSA-N -1 0 415.449 6.373 40 30 HKEBRM CCCC(=O)Nc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2[O-])cc1 ZINC000016637176 558797338 /nfs/dbraw/zinc/79/73/38/558797338.db2.gz NBQBFYWGWWDGIP-LSHDLFTRSA-N -1 0 423.738 5.914 40 30 HKEBRM CCO[C@H]1Oc2ccc(Cl)cc2C(=O)C1=CNc1ccc2[n-]c(=S)sc2c1 ZINC000016687942 520588545 /nfs/dbraw/zinc/58/85/45/520588545.db2.gz GJKVVOOWRXSZMF-FUNAXGEOSA-N -1 0 418.927 5.172 40 30 HKEBRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2c(O)ccc3ccccc32)cc1 ZINC000016923187 558809313 /nfs/dbraw/zinc/80/93/13/558809313.db2.gz GHOIBIHUGLCMII-XYGWBWBKSA-N -1 0 416.502 5.405 40 30 HKEBRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2cccc3cccnc23)cc1 ZINC000016923195 558809322 /nfs/dbraw/zinc/80/93/22/558809322.db2.gz GNISQFJOLLZECU-PCLIKHOPSA-N -1 0 401.491 5.095 40 30 HKEBRM O=C([O-])c1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000017089873 569362391 /nfs/dbraw/zinc/36/23/91/569362391.db2.gz GVEIWKXPTYLZIL-LPCFMYKTSA-N -1 0 414.486 5.189 40 30 HKEBRM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)C1 ZINC000017090086 569273969 /nfs/dbraw/zinc/27/39/69/569273969.db2.gz NUZJEQWIZIHZSO-UAGQMJEPSA-N -1 0 414.571 5.156 40 30 HKEBRM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)C1 ZINC000017090088 569274731 /nfs/dbraw/zinc/27/47/31/569274731.db2.gz NUZJEQWIZIHZSO-OIISXLGYSA-N -1 0 414.571 5.156 40 30 HKEBRM CN(C)c1ccc(/C=N\c2ccc(OCCCCCCCCCCC(=O)[O-])cc2)cc1 ZINC000017110212 558822648 /nfs/dbraw/zinc/82/26/48/558822648.db2.gz PHDJERWUKXIOQC-MEFGMAGPSA-N -1 0 424.585 6.478 40 30 HKEBRM CCN1C(=O)C(=CNc2ccccc2)S/C1=N/[N-]c1nc(-c2ccccc2)cs1 ZINC000017222763 558825991 /nfs/dbraw/zinc/82/59/91/558825991.db2.gz ANVVUUZZMXFCGG-OQJKFJKISA-N -1 0 421.551 5.042 40 30 HKEBRM COc1ccc2ccccc2c1/C=C\C(=O)c1ccc(OCc2ccccc2)cc1[O-] ZINC000017315905 558826983 /nfs/dbraw/zinc/82/69/83/558826983.db2.gz OQXQZGIDTHOTGF-PFONDFGASA-N -1 0 410.469 6.029 40 30 HKEBRM COc1ccc(/N=C\c2c3oc4cc(Cl)c([O-])c(Cl)c4c3ccc2O)cc1 ZINC000017949075 558828927 /nfs/dbraw/zinc/82/89/27/558828927.db2.gz UWXKHLVNEQUSFY-AQHIEDMUSA-N -1 0 402.233 6.063 40 30 HKEBRM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1/N=C/c1ccccc1O)c1ccccc1 ZINC000018126119 558831585 /nfs/dbraw/zinc/83/15/85/558831585.db2.gz AMDDEZSSUXJEKF-WSDLNYQXSA-N -1 0 421.305 5.250 40 30 HKEBRM CCCOC(=O)c1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])cc1 ZINC000019596792 558946405 /nfs/dbraw/zinc/94/64/05/558946405.db2.gz NPRCZSHOVIQOPA-PCLIKHOPSA-N -1 0 418.449 5.209 40 30 HKEBRM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000019850079 523177868 /nfs/dbraw/zinc/17/78/68/523177868.db2.gz LHLQETWCXXHETK-IWIPYMOSSA-N -1 0 416.506 5.077 40 30 HKEBRM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2C(F)(F)F)cc1 ZINC000019860989 519009705 /nfs/dbraw/zinc/00/97/05/519009705.db2.gz ZUBNTFPDHJZUIE-MSXFZWOLSA-N -1 0 404.461 5.806 40 30 HKEBRM CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000028538015 519990376 /nfs/dbraw/zinc/99/03/76/519990376.db2.gz BAHIJPSQSKWCJX-QHCPKHFHSA-N -1 0 403.607 6.280 40 30 HKEBRM CCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000028538020 519991429 /nfs/dbraw/zinc/99/14/29/519991429.db2.gz BAHIJPSQSKWCJX-HSZRJFAPSA-N -1 0 403.607 6.280 40 30 HKEBRM Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)S2)c(C)c1 ZINC000033301479 525967395 /nfs/dbraw/zinc/96/73/95/525967395.db2.gz PIZVGVHULWZVHV-NDENLUEZSA-N -1 0 418.474 5.153 40 30 HKEBRM O=C([O-])c1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000033319738 568696784 /nfs/dbraw/zinc/69/67/84/568696784.db2.gz SAKYBTFUWBZKRG-MIIQOVFOSA-N -1 0 400.459 5.193 40 30 HKEBRM CCOc1ccc2ccccc2c1C=C1SC(=N)C(c2nnc(CC)s2)=C1[O-] ZINC000033382591 569362329 /nfs/dbraw/zinc/36/23/29/569362329.db2.gz DWRBJSDIUHFJTD-NHEOGQCNSA-N -1 0 409.536 5.070 40 30 HKEBRM Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1cccc(C)c1C ZINC000033534098 568697242 /nfs/dbraw/zinc/69/72/42/568697242.db2.gz AEOKCTQOWZOWJU-QSXAEAPWSA-N -1 0 407.564 5.585 40 30 HKEBRM CCCOc1ccc2ccccc2c1C=C1SC(=N)C(c2nnc(CC)s2)=C1[O-] ZINC000033547068 569362384 /nfs/dbraw/zinc/36/23/84/569362384.db2.gz WWVHKLBISOKRDG-NQDHANQRSA-N -1 0 423.563 5.460 40 30 HKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccccc4)cc3)SC2=N)s1 ZINC000033653010 569362381 /nfs/dbraw/zinc/36/23/81/569362381.db2.gz XHZRZHVYRRWKPM-NCNVOFJUSA-N -1 0 421.547 5.097 40 30 HKEBRM N=C1SC(=Cc2cn(Cc3ccccc3)c3ccccc23)C([O-])=C1c1nccs1 ZINC000033685442 569362346 /nfs/dbraw/zinc/36/23/46/569362346.db2.gz TWHRGUHWSPEATI-XYJKTABCSA-N -1 0 415.543 5.564 40 30 HKEBRM O=C([O-])c1ccccc1/C(c1ccc(O)c2ccccc12)=C1\C=CC(=O)c2ccccc21 ZINC000033687418 526395428 /nfs/dbraw/zinc/39/54/28/526395428.db2.gz QXVXOZMPAHNCCW-VYIQYICTSA-N -1 0 418.448 5.955 40 30 HKEBRM N#Cc1ccccc1COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1 ZINC000033735675 569362472 /nfs/dbraw/zinc/36/24/72/569362472.db2.gz IQSPAHVOYXEXEY-OKYLLYMWSA-N -1 0 417.515 5.012 40 30 HKEBRM Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000033752537 568698660 /nfs/dbraw/zinc/69/86/60/568698660.db2.gz HRKLLGWMFCFBGR-RQUYWDQNSA-N -1 0 413.955 5.622 40 30 HKEBRM N=C1SC(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C([O-])=C1c1nccs1 ZINC000033794959 569362441 /nfs/dbraw/zinc/36/24/41/569362441.db2.gz WWWQESBXVBDMTD-ZJVAWHCLSA-N -1 0 421.330 6.128 40 30 HKEBRM N=C1SC(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C([O-])=C1c1nccs1 ZINC000033795185 569362444 /nfs/dbraw/zinc/36/24/44/569362444.db2.gz DOGLRTJDNHGRPZ-ZJVAWHCLSA-N -1 0 421.330 6.128 40 30 HKEBRM N=C1SC(=Cc2ccc(OCc3ccc(F)cc3)cc2)C([O-])=C1c1nccs1 ZINC000033851469 569362488 /nfs/dbraw/zinc/36/24/88/569362488.db2.gz IOVHPFIJGQZEIP-KIMFWDJISA-N -1 0 410.495 5.279 40 30 HKEBRM Cc1cc2nc(-c3cccc(/N=C\c4cc([N+](=O)[O-])cc(C)c4[O-])c3)oc2c(C)c1 ZINC000033907652 525668360 /nfs/dbraw/zinc/66/83/60/525668360.db2.gz LYQLOBMTSIMPDI-MSXFZWOLSA-N -1 0 401.422 5.784 40 30 HKEBRM Cc1cccc(COc2ccc(C=C3SC(=N)C(c4nccs4)=C3[O-])cc2)c1 ZINC000034719696 569362460 /nfs/dbraw/zinc/36/24/60/569362460.db2.gz KVWWRXSFHMGTEV-GYDHSEMCSA-N -1 0 406.532 5.448 40 30 HKEBRM N=C1SC(=Cc2ccc(OCc3cccc(F)c3)cc2)C([O-])=C1c1nccs1 ZINC000034745453 569362462 /nfs/dbraw/zinc/36/24/62/569362462.db2.gz ZEAQIPLMLYGEAH-KIMFWDJISA-N -1 0 410.495 5.279 40 30 HKEBRM Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1ccc(C)c(C)c1 ZINC000034805030 569362446 /nfs/dbraw/zinc/36/24/46/569362446.db2.gz ZIJLSZCERJMCAI-QSXAEAPWSA-N -1 0 407.564 5.585 40 30 HKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)SC2=N)s1 ZINC000035057276 557296483 /nfs/dbraw/zinc/29/64/83/557296483.db2.gz HBYGWQHTQKIKOT-VHRZHEQLSA-N -1 0 422.579 5.234 40 30 HKEBRM Cc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)c1[O-] ZINC000035183096 525556673 /nfs/dbraw/zinc/55/66/73/525556673.db2.gz QDWGQYVKABJZLW-FSJBWODESA-N -1 0 409.829 5.265 40 30 HKEBRM Cc1cc2nc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4[O-])c3C)oc2c(C)c1 ZINC000035189665 525668549 /nfs/dbraw/zinc/66/85/49/525668549.db2.gz MOWYNZFVNOVSQD-BRJLIKDPSA-N -1 0 415.449 6.093 40 30 HKEBRM Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1cccc(Cl)c1 ZINC000035316938 557691834 /nfs/dbraw/zinc/69/18/34/557691834.db2.gz JBIBHSTXVBJSKU-ROBRVMHZSA-N -1 0 413.955 5.622 40 30 HKEBRM N=C1SC(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C([O-])=C1c1nccs1 ZINC000035362266 569362612 /nfs/dbraw/zinc/36/26/12/569362612.db2.gz YNMNKRNIFZMLLF-XWMDNHSHSA-N -1 0 421.330 6.128 40 30 HKEBRM C=C1[C@@H](OC(=O)/C(C)=C\C)[C@@]23C[C@@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC3 ZINC000035459246 518668656 /nfs/dbraw/zinc/66/86/56/518668656.db2.gz BJWJSOYJPSJWKC-NGVJRTLMSA-N -1 0 400.559 5.528 40 30 biogenic,in-vitro HKEBRM C=C1[C@@H](OC(=O)/C(C)=C\C)[C@@]23C[C@@H]1CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC3 ZINC000035459249 518668985 /nfs/dbraw/zinc/66/89/85/518668985.db2.gz BJWJSOYJPSJWKC-JJOWVFGISA-N -1 0 400.559 5.528 40 30 biogenic,in-vitro HKEBRM CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)[C@H](C(=O)[O-])C1 ZINC000035898107 569064875 /nfs/dbraw/zinc/06/48/75/569064875.db2.gz NUZJEQWIZIHZSO-DJIMGWMZSA-N -1 0 414.571 5.156 40 30 HKEBRM O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1[O-] ZINC000036007216 557825423 /nfs/dbraw/zinc/82/54/23/557825423.db2.gz KEVMWVHEOBAJAD-VULFUBBASA-N -1 0 424.928 5.932 40 30 HKEBRM O=[N+]([O-])c1cc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)ccc1[O-] ZINC000036352105 527326403 /nfs/dbraw/zinc/32/64/03/527326403.db2.gz UYXLJOSMVJQVRL-OEAKJJBVSA-N -1 0 416.462 5.537 40 30 HKEBRM CCCCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)[O-] ZINC000038143716 519979975 /nfs/dbraw/zinc/97/99/75/519979975.db2.gz IVDXTHICTYHUOZ-QXMHVHEDSA-N -1 0 402.619 8.061 40 30 biogenic,in-vitro HKEBRM Cc1cc(Cl)cc(/C=N/c2c(Br)cc([O-])cc2Br)c1O ZINC000038162483 568485989 /nfs/dbraw/zinc/48/59/89/568485989.db2.gz IBYNKCAJVKVCKF-NGYBGAFCSA-N -1 0 419.500 5.335 40 30 HKEBRM Cc1cc(Cl)c(O)c(/C=N/c2c(Br)cc([O-])cc2Br)c1 ZINC000038162487 568486042 /nfs/dbraw/zinc/48/60/42/568486042.db2.gz DYSBJUQCZADAAN-NGYBGAFCSA-N -1 0 419.500 5.335 40 30 HKEBRM Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1[O-] ZINC000038179858 569362607 /nfs/dbraw/zinc/36/26/07/569362607.db2.gz QIQKQPDYZOCWMO-FSJBWODESA-N -1 0 409.829 5.265 40 30 HKEBRM Cc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc(C)c4[O-])ccc3o2)cc1C ZINC000038179882 569362648 /nfs/dbraw/zinc/36/26/48/569362648.db2.gz QNSHXPGSPLCDEZ-WYMPLXKRSA-N -1 0 401.422 5.784 40 30 HKEBRM CC[C@@H](C)c1ccccc1/N=C/c1cc(Cc2ccccc2Cl)cc([N+](=O)[O-])c1[O-] ZINC000038179988 569362654 /nfs/dbraw/zinc/36/26/54/569362654.db2.gz RGHUGRSNQRHHSF-KSXCTLEASA-N -1 0 422.912 6.809 40 30 HKEBRM CC[C@H](C)c1ccccc1/N=C/c1cc(Cc2ccccc2Cl)cc([N+](=O)[O-])c1[O-] ZINC000038179989 569362630 /nfs/dbraw/zinc/36/26/30/569362630.db2.gz RGHUGRSNQRHHSF-WBILBPDKSA-N -1 0 422.912 6.809 40 30 HKEBRM Cc1cc(Cl)cc(/C=N/c2cc(Br)c([O-])c(Br)c2)c1O ZINC000038182147 568486622 /nfs/dbraw/zinc/48/66/22/568486622.db2.gz DVCIHIGLNBXXJZ-NGYBGAFCSA-N -1 0 419.500 5.335 40 30 HKEBRM Cc1cc(Cl)c(O)c(/C=N/c2cc(Br)c([O-])c(Br)c2)c1 ZINC000038182150 568486746 /nfs/dbraw/zinc/48/67/46/568486746.db2.gz XKUGGVCERJQDLD-NGYBGAFCSA-N -1 0 419.500 5.335 40 30 HKEBRM Cc1ccc(S(=O)(=O)[N-]c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 ZINC000039866976 571134649 /nfs/dbraw/zinc/13/46/49/571134649.db2.gz MMPOIOGZRHWLSB-UHFFFAOYSA-N -1 0 414.486 5.595 40 30 HKEBRM CCCCCCCCCCCCCCCCCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000043411648 519997189 /nfs/dbraw/zinc/99/71/89/519997189.db2.gz ZQZOVFQJZLBPET-BSYVCWPDSA-N -1 0 416.646 8.425 40 30 HKEBRM CCCCCCCCCCCCCCCC[C@@H](C[N+](C)(C)C)OP(=O)([O-])[O-] ZINC000043938889 520003201 /nfs/dbraw/zinc/00/32/01/520003201.db2.gz YYCVMVGPNGDTSQ-NRFANRHFSA-O -1 0 408.584 6.042 40 30 HKEBRM CCCCCCCCCCCCCCCC[C@H](C[N+](C)(C)C)OP(=O)([O-])[O-] ZINC000043938891 520003243 /nfs/dbraw/zinc/00/32/43/520003243.db2.gz YYCVMVGPNGDTSQ-OAQYLSRUSA-O -1 0 408.584 6.042 40 30 HKEBRM C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000058631607 568927085 /nfs/dbraw/zinc/92/70/85/568927085.db2.gz PSXQJZDFWDKBIP-MNVVPKPGSA-N -1 0 414.630 6.662 40 30 in-vitro HKEBRM COC(=O)c1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000059104784 568700654 /nfs/dbraw/zinc/70/06/54/568700654.db2.gz WYSALPFUTOFUPM-DHRITJCHSA-N -1 0 423.852 5.154 40 30 HKEBRM Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)S2)cc1C ZINC000059223850 568702826 /nfs/dbraw/zinc/70/28/26/568702826.db2.gz FKKRJFRLKYUEMK-UDWIEESQSA-N -1 0 418.474 5.153 40 30 HKEBRM Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)S2)cc1C ZINC000059224010 568702741 /nfs/dbraw/zinc/70/27/41/568702741.db2.gz OXDDVIBCBBXOPL-NDENLUEZSA-N -1 0 418.474 5.153 40 30 HKEBRM Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)S2)cc1C ZINC000059224062 568702663 /nfs/dbraw/zinc/70/26/63/568702663.db2.gz SAFBXRNFSPJUGQ-NDENLUEZSA-N -1 0 418.474 5.153 40 30 HKEBRM CC[C@@H](C)c1ccc(/N=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cc1 ZINC000059247756 568703008 /nfs/dbraw/zinc/70/30/08/568703008.db2.gz VDOIJJTVCRSGTQ-AXNZHVIBSA-N -1 0 417.505 6.237 40 30 HKEBRM CC[C@H](C)c1ccc(/N=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cc1 ZINC000059247760 568702898 /nfs/dbraw/zinc/70/28/98/568702898.db2.gz VDOIJJTVCRSGTQ-NLTKLDOMSA-N -1 0 417.505 6.237 40 30 HKEBRM COc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)cc1Cl ZINC000059247781 568703218 /nfs/dbraw/zinc/70/32/18/568703218.db2.gz NZGLDFCVMGCLMV-BHGWPJFGSA-N -1 0 417.292 5.858 40 30 HKEBRM COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000059247930 568703188 /nfs/dbraw/zinc/70/31/88/568703188.db2.gz KLGMSWIDQTYXML-DHRITJCHSA-N -1 0 409.869 5.685 40 30 HKEBRM Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000059247943 568703190 /nfs/dbraw/zinc/70/31/90/568703190.db2.gz AWOFVTWAQNSIPK-FOKLQQMPSA-N -1 0 411.845 5.413 40 30 HKEBRM COc1cc(/C=N/c2cccc3ccccc32)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000059248624 568703170 /nfs/dbraw/zinc/70/31/70/568703170.db2.gz PRILRIKFPPLWQO-JVWAILMASA-N -1 0 411.457 5.876 40 30 HKEBRM C=CCc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)cc(OC)c1OCC(=O)[O-] ZINC000059249107 568703178 /nfs/dbraw/zinc/70/31/78/568703178.db2.gz NECZMJZDGATJEF-WGOQTCKBSA-N -1 0 416.477 5.381 40 30 HKEBRM Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000059249109 568703172 /nfs/dbraw/zinc/70/31/72/568703172.db2.gz JWAREBPDYOIUET-YSURURNPSA-N -1 0 405.256 5.989 40 30 HKEBRM COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)c1 ZINC000059249211 568703222 /nfs/dbraw/zinc/70/32/22/568703222.db2.gz KIUQCODOVNHXFH-BRJLIKDPSA-N -1 0 424.884 5.291 40 30 HKEBRM COc1cc(/C=N/c2ccc(C(C)C)cc2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000059249255 568703414 /nfs/dbraw/zinc/70/34/14/568703414.db2.gz FCCAWSKLVMSGAZ-CVKSISIWSA-N -1 0 403.478 5.846 40 30 HKEBRM O=C([O-])c1ccc(Cl)c(/N=C/c2cccn2-c2ccc(Br)cc2)c1 ZINC000059249286 568703349 /nfs/dbraw/zinc/70/33/49/568703349.db2.gz LLIUYNORXWXVCX-SRZZPIQSSA-N -1 0 403.663 5.342 40 30 HKEBRM C=CCc1cc(/C=N/c2ccc(C3CCCCC3)cc2)cc(OC)c1OCC(=O)[O-] ZINC000059250142 568703474 /nfs/dbraw/zinc/70/34/74/568703474.db2.gz WEQTVZWVKLBKLW-WGOQTCKBSA-N -1 0 407.510 5.685 40 30 HKEBRM COc1cc(/C=N/c2ccccc2SC)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000059301852 568704864 /nfs/dbraw/zinc/70/48/64/568704864.db2.gz XDZZQWDXNNVRGJ-ZVHZXABRSA-N -1 0 407.491 5.445 40 30 HKEBRM COc1ccc(Oc2ccc(/N=C/c3ccc(OCC(=O)[O-])c(Cl)c3)cc2)cc1 ZINC000059302427 568705229 /nfs/dbraw/zinc/70/52/29/568705229.db2.gz JTGINRNQPOBOBH-ZMOGYAJESA-N -1 0 411.841 5.355 40 30 HKEBRM COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000059302485 568705240 /nfs/dbraw/zinc/70/52/40/568705240.db2.gz ACRFMFCPZFWYTQ-DHRITJCHSA-N -1 0 409.869 5.685 40 30 HKEBRM Cc1cc(/C=N/c2ccc(C)cc2[N+](=O)[O-])c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000059302800 568705138 /nfs/dbraw/zinc/70/51/38/568705138.db2.gz LMKLJFIGZFISLB-FOKLQQMPSA-N -1 0 411.845 5.413 40 30 HKEBRM [S-]c1ccccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000059303070 568705200 /nfs/dbraw/zinc/70/52/00/568705200.db2.gz LYUBYFUANRJQPI-KEBDBYFISA-N -1 0 424.772 6.886 40 30 HKEBRM Cc1cc(/C=N/c2cccc(Cl)c2C)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000059303095 568705178 /nfs/dbraw/zinc/70/51/78/568705178.db2.gz RCOPRCBGNHMHAA-BHGWPJFGSA-N -1 0 401.293 6.158 40 30 HKEBRM Cc1cc(C=NNc2ccc3ccccc3n2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000059303174 568705222 /nfs/dbraw/zinc/70/52/22/568705222.db2.gz BBUSCWFDSPHTDM-DHRITJCHSA-N -1 0 418.884 5.440 40 30 HKEBRM CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)cc1 ZINC000059303200 568705146 /nfs/dbraw/zinc/70/51/46/568705146.db2.gz YGQDPTHNOYISPN-CVKSISIWSA-N -1 0 408.929 6.539 40 30 HKEBRM C[C@H](Oc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)C(=O)[O-] ZINC000059303242 568705202 /nfs/dbraw/zinc/70/52/02/568705202.db2.gz KALZZGPEXANQQE-RGLOIFOXSA-N -1 0 403.522 5.757 40 30 HKEBRM C[C@@H](Oc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)C(=O)[O-] ZINC000059303244 568705058 /nfs/dbraw/zinc/70/50/58/568705058.db2.gz KALZZGPEXANQQE-XKTOGBQESA-N -1 0 403.522 5.757 40 30 HKEBRM COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000059303310 568705173 /nfs/dbraw/zinc/70/51/73/568705173.db2.gz KVCGOQPCWPLSNH-DHRITJCHSA-N -1 0 409.869 5.685 40 30 HKEBRM COc1cc(/C=N/c2ccccc2C(C)C)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000059303411 568705198 /nfs/dbraw/zinc/70/51/98/568705198.db2.gz BPLDOVIUKUVYAP-CVKSISIWSA-N -1 0 403.478 5.846 40 30 HKEBRM Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)S2)c1 ZINC000059426777 568706555 /nfs/dbraw/zinc/70/65/55/568706555.db2.gz QDKRKYALBJMQRU-UDWIEESQSA-N -1 0 418.474 5.153 40 30 HKEBRM [O-]c1c(Cl)cccc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 ZINC000059459251 568704276 /nfs/dbraw/zinc/70/42/76/568704276.db2.gz CAYQLJQWAZLNMQ-RPPGKUMJSA-N -1 0 405.803 6.394 40 30 HKEBRM O=[N+]([O-])c1ccc([O-])c(/C=N/c2cc(C(F)(F)F)ccc2OCc2ccccc2)c1 ZINC000059459253 568704367 /nfs/dbraw/zinc/70/43/67/568704367.db2.gz FZQILHIOIUCKCV-BRJLIKDPSA-N -1 0 416.355 5.649 40 30 HKEBRM O=[N+]([O-])c1cccc(/C=N/c2cc(C(F)(F)F)ccc2OCc2ccccc2)c1[O-] ZINC000059459254 568704375 /nfs/dbraw/zinc/70/43/75/568704375.db2.gz KNWBSYZYJLWTIL-BRJLIKDPSA-N -1 0 416.355 5.649 40 30 HKEBRM Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)S2)c(C)c1 ZINC000059459417 568704400 /nfs/dbraw/zinc/70/44/00/568704400.db2.gz AABMIMSUEKOWBR-NDENLUEZSA-N -1 0 418.474 5.153 40 30 HKEBRM Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)S2)c(C)c1 ZINC000059459418 568704275 /nfs/dbraw/zinc/70/42/75/568704275.db2.gz MIFPTDCSIOPUFZ-NDENLUEZSA-N -1 0 418.474 5.153 40 30 HKEBRM Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)S2)c1 ZINC000059459445 568704310 /nfs/dbraw/zinc/70/43/10/568704310.db2.gz CWBMQTLQEXJJBS-NDENLUEZSA-N -1 0 418.474 5.153 40 30 HKEBRM Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)S2)c1 ZINC000059459446 568704280 /nfs/dbraw/zinc/70/42/80/568704280.db2.gz PPGLRDGWCOXDEY-NDENLUEZSA-N -1 0 418.474 5.153 40 30 HKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000059475485 568707264 /nfs/dbraw/zinc/70/72/64/568707264.db2.gz RASOMLSZESPKLY-YSURURNPSA-N -1 0 419.230 5.305 40 30 HKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000059483152 568707632 /nfs/dbraw/zinc/70/76/32/568707632.db2.gz BIMVMQGFFZGDJF-DHRITJCHSA-N -1 0 408.288 6.302 40 30 HKEBRM O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000059503519 568708620 /nfs/dbraw/zinc/70/86/20/568708620.db2.gz HEJXLTDZUIGYRJ-DJOYVXLESA-N -1 0 417.446 5.109 40 30 HKEBRM C=CCCCCCCCCCOc1cc(C(=O)[O-])ccc1OCCCCCCCC ZINC000059608556 558937843 /nfs/dbraw/zinc/93/78/43/558937843.db2.gz DOFYZOAEWQRJSK-UHFFFAOYSA-N -1 0 418.618 7.810 40 30 HKEBRM CCCCCCCCCCCCOc1ccc(/N=N/c2ccc(C(=O)[O-])cc2)cc1 ZINC000059608566 558937847 /nfs/dbraw/zinc/93/78/47/558937847.db2.gz FHLVKSYZSJNRKO-CYYJNZCTSA-N -1 0 410.558 8.100 40 30 HKEBRM CCCCCCCCCCCCP(=O)([O-])CCCCCCCCCCCC ZINC000059617454 558937965 /nfs/dbraw/zinc/93/79/65/558937965.db2.gz UWJCYVDGGSAERX-UHFFFAOYSA-N -1 0 402.644 9.099 40 30 HKEBRM CCCCCCCCCCCCCCc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000059663853 558938115 /nfs/dbraw/zinc/93/81/15/558938115.db2.gz BRDXVHOZHLGFCI-BYNJWEBRSA-N -1 0 421.625 8.379 40 30 HKEBRM CCCCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000059663884 520011738 /nfs/dbraw/zinc/01/17/38/520011738.db2.gz QDLXKAHYTXEFRM-SZXQPVLSSA-N -1 0 409.570 7.435 40 30 HKEBRM CCCCCCCCCCCCOc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1 ZINC000059663915 558938314 /nfs/dbraw/zinc/93/83/14/558938314.db2.gz QBXQAIYOSDJBKQ-SZXQPVLSSA-N -1 0 409.570 7.435 40 30 HKEBRM CCCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1F ZINC000059663943 558938304 /nfs/dbraw/zinc/93/83/04/558938304.db2.gz YTBUTPSTHDINAB-ZXVVBBHZSA-N -1 0 413.533 7.184 40 30 HKEBRM CCCCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1C ZINC000059663983 558938271 /nfs/dbraw/zinc/93/82/71/558938271.db2.gz ZGYKMFFNSYXXIV-SGWCAAJKSA-N -1 0 423.597 7.744 40 30 HKEBRM CCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000059664011 520029358 /nfs/dbraw/zinc/02/93/58/520029358.db2.gz LCHNHFQNHNDDLE-KOEQRZSOSA-N -1 0 401.934 6.918 40 30 HKEBRM CCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000059664015 558938267 /nfs/dbraw/zinc/93/82/67/558938267.db2.gz USSDBBOCOROXOW-NLRVBDNBSA-N -1 0 415.961 7.308 40 30 HKEBRM O=C([O-])COc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl ZINC000059678543 568709820 /nfs/dbraw/zinc/70/98/20/568709820.db2.gz SAPYEYNVDOFOCE-MZJWZYIUSA-N -1 0 423.940 6.022 40 30 HKEBRM COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)c(C)c1 ZINC000059679025 568709845 /nfs/dbraw/zinc/70/98/45/568709845.db2.gz FEVXULGXVAMGBL-BRJLIKDPSA-N -1 0 424.884 5.291 40 30 HKEBRM CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)cc1 ZINC000059679051 568709817 /nfs/dbraw/zinc/70/98/17/568709817.db2.gz MRTXIIAEITVJIZ-WYMPLXKRSA-N -1 0 409.873 5.155 40 30 HKEBRM COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)c1C ZINC000059679053 568709908 /nfs/dbraw/zinc/70/99/08/568709908.db2.gz QHKGDEOZWLNUGB-BRJLIKDPSA-N -1 0 424.884 5.291 40 30 HKEBRM O=C([O-])c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1Cl ZINC000059679098 568709789 /nfs/dbraw/zinc/70/97/89/568709789.db2.gz QKSOVHXPZSIMTP-SRZZPIQSSA-N -1 0 403.663 5.342 40 30 HKEBRM Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000059679291 568709823 /nfs/dbraw/zinc/70/98/23/568709823.db2.gz OXOVCCDSBVQPAX-LGJNPRDNSA-N -1 0 403.869 5.745 40 30 HKEBRM COc1cc(/C=N/c2ccc(F)c(Cl)c2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000059679411 568710201 /nfs/dbraw/zinc/71/02/01/568710201.db2.gz DDKGEUFLNJSUBB-BRJLIKDPSA-N -1 0 413.832 5.516 40 30 HKEBRM C[C@H](Oc1ccc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)[O-] ZINC000059679580 568710207 /nfs/dbraw/zinc/71/02/07/568710207.db2.gz NEMVPHZNHASQDE-FVQJWRHTSA-N -1 0 422.462 5.349 40 30 HKEBRM C[C@@H](Oc1ccc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)[O-] ZINC000059679581 568710184 /nfs/dbraw/zinc/71/01/84/568710184.db2.gz NEMVPHZNHASQDE-QKIXXSFTSA-N -1 0 422.462 5.349 40 30 HKEBRM CCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)[O-] ZINC000062238201 559167002 /nfs/dbraw/zinc/16/70/02/559167002.db2.gz IFYDZTDBJZWEPK-VWLOTQADSA-N -1 0 412.699 8.424 40 30 in-vitro HKEBRM CCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)[O-] ZINC000062238204 559167015 /nfs/dbraw/zinc/16/70/15/559167015.db2.gz IFYDZTDBJZWEPK-RUZDIDTESA-N -1 0 412.699 8.424 40 30 in-vitro HKEBRM CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1CC[P@](=O)([O-])O1 ZINC000064859269 569109343 /nfs/dbraw/zinc/10/93/43/569109343.db2.gz IJSTZKWSILWQEC-YUQDSPFASA-N -1 0 416.539 6.541 40 30 in-vitro HKEBRM CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1CC[P@](=O)([O-])O1 ZINC000064859273 569109296 /nfs/dbraw/zinc/10/92/96/569109296.db2.gz IJSTZKWSILWQEC-VFCOFNOGSA-N -1 0 416.539 6.541 40 30 in-vitro HKEBRM O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccccc2N2CCCCC2)c1[O-] ZINC000066339468 558983701 /nfs/dbraw/zinc/98/37/01/558983701.db2.gz SLMNBKSSSDTZDT-NLRVBDNBSA-N -1 0 415.493 5.632 40 30 HKEBRM CCCCCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000071788197 558911955 /nfs/dbraw/zinc/91/19/55/558911955.db2.gz LSMLSLHVRMSYPT-HSZRJFAPSA-N -1 0 409.526 5.729 40 30 HKEBRM CCCCCCCCCCCCCCCCc1c(C(=O)OC)nc(NC#N)[n-]c1=O ZINC000073280148 571306804 /nfs/dbraw/zinc/30/68/04/571306804.db2.gz ZHBSMQLSYFSJDE-UHFFFAOYSA-N -1 0 418.582 5.886 40 30 HKEBRM Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)S2)cc1C ZINC000083295308 558833262 /nfs/dbraw/zinc/83/32/62/558833262.db2.gz SAFBXRNFSPJUGQ-UDWIEESQSA-N -1 0 418.474 5.153 40 30 HKEBRM Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)S2)cc1C ZINC000083295310 558833284 /nfs/dbraw/zinc/83/32/84/558833284.db2.gz OXDDVIBCBBXOPL-UDWIEESQSA-N -1 0 418.474 5.153 40 30 HKEBRM CCCCCCCCCCCc1c(=O)c(=O)cc2[nH]c3cc(C(=O)[O-])ccc3[nH]c1-2 ZINC000085340896 520017360 /nfs/dbraw/zinc/01/73/60/520017360.db2.gz OIHGJSQDAJHGHQ-UHFFFAOYSA-N -1 0 410.514 5.966 40 30 biogenic,in-vitro HKEBRM C=C1C(=O)C(=O)C(CCCCCCCCCCCCC/C=C\CCCC)=C([O-])C1O ZINC000085511919 519887091 /nfs/dbraw/zinc/88/70/91/519887091.db2.gz UEFNZITZGVWLFK-SREVYHEPSA-N -1 0 418.618 7.600 40 30 biogenic,in-vitro HKEBRM CCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCC ZINC000095704273 559088049 /nfs/dbraw/zinc/08/80/49/559088049.db2.gz IEMUOVBWPOMLKU-UHFFFAOYSA-N -1 0 406.588 8.182 40 30 HKEBRM C[C@H](CCC[C@H](C)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095920574 568659842 /nfs/dbraw/zinc/65/98/42/568659842.db2.gz PSXQJZDFWDKBIP-KMPPVSSLSA-N -1 0 414.630 6.662 40 30 in-vitro HKEBRM O=[N+]([O-])c1cccc(/C=N\c2ccc3oc(-c4cccc5ccccc54)nc3c2)c1[O-] ZINC000096372348 559110028 /nfs/dbraw/zinc/11/00/28/559110028.db2.gz MEVAUSCTPJDTJQ-QFEZKATASA-N -1 0 409.401 6.012 40 30 HKEBRM C=CCCCCC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000098181728 568723334 /nfs/dbraw/zinc/72/33/34/568723334.db2.gz WSTJGDVRPQAMSC-VWLOTQADSA-N -1 0 407.510 5.505 40 30 HKEBRM CC(C)=CCC1=C([O-])C(C(=O)CC(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000100050208 291284717 /nfs/dbraw/zinc/28/47/17/291284717.db2.gz WPVSVIXDXMNGGN-UHFFFAOYSA-N -1 0 414.586 6.864 40 30 biogenic,in-vitro HKEBRM CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000100071639 559123010 /nfs/dbraw/zinc/12/30/10/559123010.db2.gz FGJOQQQRZNFKBP-QFIPXVFZSA-N -1 0 421.626 5.783 40 30 HKEBRM CCCCCCCCCCCCC#CC#CCCCCCCCCCCC(=O)[O-] ZINC000100079370 559129675 /nfs/dbraw/zinc/12/96/75/559129675.db2.gz WFKKPVSAXVSKCE-UHFFFAOYSA-N -1 0 402.663 8.290 40 30 HKEBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(C(=O)[O-])c3)c2C)cc1 ZINC000100212069 560724062 /nfs/dbraw/zinc/72/40/62/560724062.db2.gz ZKOIQWMALQAXJY-DHRITJCHSA-N -1 0 424.884 5.373 40 30 HKEBRM O=C([O-])c1ccc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000100233619 559132738 /nfs/dbraw/zinc/13/27/38/559132738.db2.gz GVEIWKXPTYLZIL-KWZOLKRCSA-N -1 0 414.486 5.189 40 30 HKEBRM COc1ccc(/N=C/c2c3oc4cc(Cl)c([O-])c(Cl)c4c3ccc2O)cc1 ZINC000100368263 559134560 /nfs/dbraw/zinc/13/45/60/559134560.db2.gz UWXKHLVNEQUSFY-NUGSKGIGSA-N -1 0 402.233 6.063 40 30 HKEBRM C/C(=N\c1c(O)ccc2ccccc21)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100370347 559134616 /nfs/dbraw/zinc/13/46/16/559134616.db2.gz BYPIXHGNXBSPAO-OGLMXYFKSA-N -1 0 420.468 5.696 40 30 HKEBRM C/C(=N\c1cccc2cccc(N)c21)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100370395 559134580 /nfs/dbraw/zinc/13/45/80/559134580.db2.gz YCXCWUSFDCPDAS-STBIYBPSSA-N -1 0 419.484 5.572 40 30 HKEBRM C/C(=N\c1ccc2ccccc2c1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100370399 559134632 /nfs/dbraw/zinc/13/46/32/559134632.db2.gz VKQDCELWWOWNCE-MTDXEUNCSA-N -1 0 404.469 5.990 40 30 HKEBRM C/C(=N\c1cc(Cl)ccc1O)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100370449 559134573 /nfs/dbraw/zinc/13/45/73/559134573.db2.gz MWDOODWUCZOWEJ-AFUMVMLFSA-N -1 0 404.853 5.196 40 30 HKEBRM O=C1/C(=C\c2ccc(O)c(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000100370789 559134607 /nfs/dbraw/zinc/13/46/07/559134607.db2.gz WZQDFNLYQGAXDD-CRUFNBOHSA-N -1 0 410.882 5.443 40 30 HKEBRM O=C([O-])CCC(CC(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000100502047 527573146 /nfs/dbraw/zinc/57/31/46/527573146.db2.gz NQPKPEQBKLZPGM-UHFFFAOYSA-N -1 0 406.138 5.185 40 30 HKEBRM CCOc1cccc(/C=N/c2ccc([O-])c(-c3nc4cc(CC)ccc4o3)c2)c1O ZINC000100502842 560725319 /nfs/dbraw/zinc/72/53/19/560725319.db2.gz ZNFOMXRAJLRNIF-AFUMVMLFSA-N -1 0 402.450 5.618 40 30 HKEBRM Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C\c1cc([N+](=O)[O-])cc(C)c1[O-] ZINC000100552337 560725265 /nfs/dbraw/zinc/72/52/65/560725265.db2.gz OHKYACABFVEKIS-MYKKPKGFSA-N -1 0 421.840 6.129 40 30 HKEBRM CCCCCCCCCCCCCCCCCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000100559669 560725256 /nfs/dbraw/zinc/72/52/56/560725256.db2.gz FGJOQQQRZNFKBP-JOCHJYFZSA-N -1 0 421.626 5.783 40 30 HKEBRM C/C(=N\c1cc(Cl)ccc1Cl)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100643576 518472497 /nfs/dbraw/zinc/47/24/97/518472497.db2.gz WDYUZDCCJVDZHD-VULFUBBASA-N -1 0 423.299 6.144 40 30 HKEBRM C/C(=N\c1cccc2ccccc21)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100643586 559137255 /nfs/dbraw/zinc/13/72/55/559137255.db2.gz NBWGGWRHMOMTBL-MTDXEUNCSA-N -1 0 404.469 5.990 40 30 HKEBRM CCCCCCCCCCCCCCCCOc1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000100813363 559141073 /nfs/dbraw/zinc/14/10/73/559141073.db2.gz KVXATOKLEDVNKR-UHFFFAOYSA-N -1 0 418.618 7.594 40 30 HKEBRM CCc1ccc2oc(-c3cc(/N=C/c4cc5c(cc4Cl)OCO5)ccc3[O-])nc2c1 ZINC000100929932 559141922 /nfs/dbraw/zinc/14/19/22/559141922.db2.gz XACKNEHPNGSHBS-OPEKNORGSA-N -1 0 420.852 5.896 40 30 HKEBRM CCO[C@@H]1Oc2ccc(Cl)cc2C(=O)C1=CNc1ccc2[n-]c(=S)sc2c1 ZINC000100966918 559142278 /nfs/dbraw/zinc/14/22/78/559142278.db2.gz GJKVVOOWRXSZMF-FHLIRTJZSA-N -1 0 418.927 5.172 40 30 HKEBRM CCCCCCCCCCCC(=O)c1c2sc(=O)oc2c2ccccc2c1[O-] ZINC000100987630 559142487 /nfs/dbraw/zinc/14/24/87/559142487.db2.gz GVANTWOIPNVDCO-UHFFFAOYSA-N -1 0 400.540 6.817 40 30 HKEBRM CCn1c(=O)c(/C(C)=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)c([O-])c2ccccc21 ZINC000101161033 559143676 /nfs/dbraw/zinc/14/36/76/559143676.db2.gz KFQIYNNSPPBKHW-LSHDLFTRSA-N -1 0 420.252 5.083 40 30 HKEBRM C=CCOc1c(Cl)cc(Cc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)cc1OC ZINC000101651385 569015237 /nfs/dbraw/zinc/01/52/37/569015237.db2.gz KAENCRJCWMNLPC-KRWDZBQOSA-N -1 0 419.308 5.148 40 30 HKEBRM [O-]c1c(Br)cc(Cl)cc1/C=N/c1ccc(Br)cc1F ZINC000102422543 559150382 /nfs/dbraw/zinc/15/03/82/559150382.db2.gz WGRFKLYYDRLSHG-NGYBGAFCSA-N -1 0 407.464 5.460 40 30 HKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N\c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000102866734 559153311 /nfs/dbraw/zinc/15/33/11/559153311.db2.gz ZMCZPWGPJQTNER-VROXFSQNSA-N -1 0 417.679 6.911 40 30 HKEBRM CCc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3[O-])nc2c1 ZINC000102868305 559153314 /nfs/dbraw/zinc/15/33/14/559153314.db2.gz FKCYJNFIZHYLSO-BRJLIKDPSA-N -1 0 411.288 6.820 40 30 HKEBRM Cc1cc(/C=N/c2ccc([O-])c(-c3nc4ccccc4s3)c2)c(C)n1-c1ccccc1 ZINC000102945289 569042200 /nfs/dbraw/zinc/04/22/00/569042200.db2.gz LNMCGFWHRDQMFB-JVWAILMASA-N -1 0 423.541 6.827 40 30 HKEBRM CCCCCCCCCCCC(=O)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000102999425 559154083 /nfs/dbraw/zinc/15/40/83/559154083.db2.gz WLSAKSFLTUSNLC-RUZDIDTESA-N -1 0 418.581 6.544 40 30 HKEBRM CCCCCCCCCCCC(=O)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000102999427 559154086 /nfs/dbraw/zinc/15/40/86/559154086.db2.gz WLSAKSFLTUSNLC-VWLOTQADSA-N -1 0 418.581 6.544 40 30 HKEBRM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1/N=C\c1ccccc1O)c1ccccc1 ZINC000104116030 559158185 /nfs/dbraw/zinc/15/81/85/559158185.db2.gz AMDDEZSSUXJEKF-UUYOSTAYSA-N -1 0 421.305 5.250 40 30 HKEBRM COc1ccc(NC=C2c3oc4cc(Cl)c([O-])c(Cl)c4c3CCC2=O)cc1 ZINC000104127240 559158321 /nfs/dbraw/zinc/15/83/21/559158321.db2.gz GOSOFAONCKLXHN-LCYFTJDESA-N -1 0 404.249 5.422 40 30 HKEBRM CCCCCCCCCSc1nc2ccc(NC(=O)/C=C\C(=O)[O-])cc2s1 ZINC000104213344 559159144 /nfs/dbraw/zinc/15/91/44/559159144.db2.gz QEAULBJDKRPYHH-QXMHVHEDSA-N -1 0 406.573 5.718 40 30 HKEBRM CCCCCCCCCSc1nc2ccc(NC(=O)/C=C/C(=O)[O-])cc2s1 ZINC000104213348 520029190 /nfs/dbraw/zinc/02/91/90/520029190.db2.gz QEAULBJDKRPYHH-VAWYXSNFSA-N -1 0 406.573 5.718 40 30 HKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N\c1ccc2c(ccc3c4ccccc4ccc23)c1 ZINC000104220480 559159157 /nfs/dbraw/zinc/15/91/57/559159157.db2.gz AXZFIFAFQZAUAT-MUXKCCDJSA-N -1 0 416.307 7.909 40 30 HKEBRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2cccc3ccccc23)cc1 ZINC000104223045 559159244 /nfs/dbraw/zinc/15/92/44/559159244.db2.gz ARCXFJATZIPTEF-UQQQWYQISA-N -1 0 400.503 5.700 40 30 HKEBRM CCCCCCCCCCCCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000104245864 560735550 /nfs/dbraw/zinc/73/55/50/560735550.db2.gz SCEWWQNZOFNUMW-ACESQOTJSA-N -1 0 405.623 6.107 40 30 HKEBRM CCCCCCCCCCCCCCCCNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000104245872 560735552 /nfs/dbraw/zinc/73/55/52/560735552.db2.gz SCEWWQNZOFNUMW-LDVJMBRRSA-N -1 0 405.623 6.107 40 30 HKEBRM CCN1C(=O)C(=CNc2ccccc2)S/C1=N\[N-]c1nc(-c2ccccc2)cs1 ZINC000104302427 559160168 /nfs/dbraw/zinc/16/01/68/559160168.db2.gz ANVVUUZZMXFCGG-NQWGEATPSA-N -1 0 421.551 5.042 40 30 HKEBRM CCN1C(=O)C(=CNc2ccccc2)S/C1=N\[N-]c1nc(-c2ccccc2)cs1 ZINC000104302431 559160180 /nfs/dbraw/zinc/16/01/80/559160180.db2.gz ANVVUUZZMXFCGG-XCAKVQISSA-N -1 0 421.551 5.042 40 30 HKEBRM CCCCCCCCCCCCS(=O)(=O)CCCCCCCCCCC(=O)[O-] ZINC000104334060 559160490 /nfs/dbraw/zinc/16/04/90/559160490.db2.gz ZMNSGNIYJXEAHF-UHFFFAOYSA-N -1 0 418.684 6.918 40 30 HKEBRM CCCCCCCCCCCCNC(=S)N/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000104380386 559160851 /nfs/dbraw/zinc/16/08/51/559160851.db2.gz YQJXDIHETZLGBB-JWGURIENSA-N -1 0 408.568 5.019 40 30 HKEBRM CCCCCCCCCCCCNC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000104380391 559160861 /nfs/dbraw/zinc/16/08/61/559160861.db2.gz YQJXDIHETZLGBB-CJLVFECKSA-N -1 0 408.568 5.019 40 30 HKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccccc3OCc3ccccc3)SC2=N)s1 ZINC000107635049 569362823 /nfs/dbraw/zinc/36/28/23/569362823.db2.gz IBNZORNCZRWCBU-NCNVOFJUSA-N -1 0 421.547 5.097 40 30 HKEBRM CCCCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc12 ZINC000107682029 569362847 /nfs/dbraw/zinc/36/28/47/569362847.db2.gz CRPYFEOMDWOCSI-HCHWOYOMSA-N -1 0 408.548 5.893 40 30 HKEBRM Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])o1 ZINC000107735041 569362795 /nfs/dbraw/zinc/36/27/95/569362795.db2.gz QXWWGTZGRGTIGM-COTUQWOHSA-N -1 0 411.464 5.038 40 30 HKEBRM N=C1SC(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C([O-])=C1c1nccs1 ZINC000107885625 569362835 /nfs/dbraw/zinc/36/28/35/569362835.db2.gz ICGXJAYKIUSFHN-ZJVAWHCLSA-N -1 0 421.330 6.128 40 30 HKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc4[nH]c5ccccc5c4c3)SC2=N)s1 ZINC000107929376 569362839 /nfs/dbraw/zinc/36/28/39/569362839.db2.gz UHRQLQNPXIKOCP-XLZGVGHGSA-N -1 0 404.520 5.153 40 30 HKEBRM CC(C)(C)c1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(C(C)(C)C)c1O ZINC000108109355 569362829 /nfs/dbraw/zinc/36/28/29/569362829.db2.gz BCZBBFAKFUJDKM-NHMSSAOCSA-N -1 0 414.596 5.862 40 30 HKEBRM CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000108970377 569362937 /nfs/dbraw/zinc/36/29/37/569362937.db2.gz MGWQYQXVVDIJSD-PYCFMQQDSA-N -1 0 420.509 5.092 40 30 HKEBRM CC(C)COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc12 ZINC000108971575 569362942 /nfs/dbraw/zinc/36/29/42/569362942.db2.gz MFGHDKMUPMKQFO-QSXAEAPWSA-N -1 0 408.548 5.749 40 30 HKEBRM Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])o1 ZINC000108975482 569362952 /nfs/dbraw/zinc/36/29/52/569362952.db2.gz KIUZIDXIWNRECW-COTUQWOHSA-N -1 0 411.464 5.038 40 30 HKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1ccccc1 ZINC000109044523 569362955 /nfs/dbraw/zinc/36/29/55/569362955.db2.gz RJBJVQJIDXNFJB-GYDHSEMCSA-N -1 0 422.531 5.149 40 30 HKEBRM Cc1cccc(/C=N/c2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1O ZINC000109503001 569362974 /nfs/dbraw/zinc/36/29/74/569362974.db2.gz AGDSMUOVIPSLDD-FOKLQQMPSA-N -1 0 423.266 5.728 40 30 HKEBRM Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1 ZINC000109503030 569362967 /nfs/dbraw/zinc/36/29/67/569362967.db2.gz LQADDVQEOYLGSP-FOKLQQMPSA-N -1 0 423.266 5.728 40 30 HKEBRM C=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)[O-] ZINC000113803844 568453657 /nfs/dbraw/zinc/45/36/57/568453657.db2.gz OOXLWCQFKRJFAL-UHFFFAOYSA-N -1 0 418.149 5.146 40 30 HKEBRM O=C([O-])c1ccccc1-c1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)o1 ZINC000113836480 560805386 /nfs/dbraw/zinc/80/53/86/560805386.db2.gz MDSCFZRGDZEKIQ-WOJGMQOQSA-N -1 0 424.865 5.190 40 30 HKEBRM CCCCCCCCCCCCCCCCCCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC000115121445 569362928 /nfs/dbraw/zinc/36/29/28/569362928.db2.gz ZQZOVFQJZLBPET-ATJXCDBQSA-N -1 0 416.646 8.425 40 30 HKEBRM Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])o1 ZINC000135751492 559287624 /nfs/dbraw/zinc/28/76/24/559287624.db2.gz QXWWGTZGRGTIGM-RCRSJKOXSA-N -1 0 411.464 5.038 40 30 HKEBRM CC(C)COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc12 ZINC000135949833 559288774 /nfs/dbraw/zinc/28/87/74/559288774.db2.gz MFGHDKMUPMKQFO-ADYJVVQCSA-N -1 0 408.548 5.749 40 30 HKEBRM Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])o1 ZINC000135983506 559288939 /nfs/dbraw/zinc/28/89/39/559288939.db2.gz KIUZIDXIWNRECW-RCRSJKOXSA-N -1 0 411.464 5.038 40 30 HKEBRM Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1ccc(C)c(C)c1 ZINC000136337526 559290014 /nfs/dbraw/zinc/29/00/14/559290014.db2.gz ZIJLSZCERJMCAI-ADYJVVQCSA-N -1 0 407.564 5.585 40 30 HKEBRM Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1cccc(C)c1C ZINC000136374532 559289929 /nfs/dbraw/zinc/28/99/29/559289929.db2.gz AEOKCTQOWZOWJU-ADYJVVQCSA-N -1 0 407.564 5.585 40 30 HKEBRM N=C1SC(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C([O-])=C1c1nccs1 ZINC000136409689 559290074 /nfs/dbraw/zinc/29/00/74/559290074.db2.gz ICGXJAYKIUSFHN-PDLCMLHASA-N -1 0 421.330 6.128 40 30 HKEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1ccccc1 ZINC000136587466 559290208 /nfs/dbraw/zinc/29/02/08/559290208.db2.gz RJBJVQJIDXNFJB-LIKCCPTGSA-N -1 0 422.531 5.149 40 30 HKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc4[nH]c5ccccc5c4c3)SC2=N)s1 ZINC000136605816 559290277 /nfs/dbraw/zinc/29/02/77/559290277.db2.gz UHRQLQNPXIKOCP-KLCTXMKJSA-N -1 0 404.520 5.153 40 30 HKEBRM CCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])c2ccccc12 ZINC000136797285 559290435 /nfs/dbraw/zinc/29/04/35/559290435.db2.gz PPMIFVWXGLCXHF-NHEOGQCNSA-N -1 0 409.536 5.070 40 30 HKEBRM CCCOc1ccc2ccccc2c1C=C1SC(=N)C(c2nnc(CC)s2)=C1[O-] ZINC000136803032 559290467 /nfs/dbraw/zinc/29/04/67/559290467.db2.gz WWVHKLBISOKRDG-NCNVOFJUSA-N -1 0 423.563 5.460 40 30 HKEBRM N=C1SC(=Cc2ccc(OCc3ccc(F)cc3)cc2)C([O-])=C1c1nccs1 ZINC000137177721 559291068 /nfs/dbraw/zinc/29/10/68/559291068.db2.gz IOVHPFIJGQZEIP-VGQPPMBJSA-N -1 0 410.495 5.279 40 30 HKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccccc4)cc3)SC2=N)s1 ZINC000137372371 559291551 /nfs/dbraw/zinc/29/15/51/559291551.db2.gz XHZRZHVYRRWKPM-NQDHANQRSA-N -1 0 421.547 5.097 40 30 HKEBRM CCc1nnc(C2=C([O-])C(=Cc3c4ccccc4cc4ccccc43)SC2=N)s1 ZINC000137427421 559292353 /nfs/dbraw/zinc/29/23/53/559292353.db2.gz IWVICFUTMGXZKU-GHWCWRRZSA-N -1 0 415.543 5.825 40 30 HKEBRM Cc1cccc(COc2ccc(C=C3SC(=N)C(c4nccs4)=C3[O-])cc2)c1 ZINC000137561849 569363100 /nfs/dbraw/zinc/36/31/00/569363100.db2.gz KVWWRXSFHMGTEV-LIKCCPTGSA-N -1 0 406.532 5.448 40 30 HKEBRM N#Cc1ccccc1COc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1 ZINC000137671668 569363113 /nfs/dbraw/zinc/36/31/13/569363113.db2.gz IQSPAHVOYXEXEY-YEWWOHFJSA-N -1 0 417.515 5.012 40 30 HKEBRM CCCCCCCCCCCCCCCCCCc1ccc(S(=O)(=O)[O-])cc1 ZINC000137717448 569284935 /nfs/dbraw/zinc/28/49/35/569284935.db2.gz YNRRTPABOFSPNN-UHFFFAOYSA-N -1 0 410.664 7.737 40 30 HKEBRM Cc1cc(/C=N/c2cc(C(=O)[O-])ccc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000137792585 569363110 /nfs/dbraw/zinc/36/31/10/569363110.db2.gz SAEBHVLGDXCQPX-VULFUBBASA-N -1 0 408.929 6.494 40 30 HKEBRM N=C1SC(=Cc2ccc(OCc3cccc(F)c3)cc2)C([O-])=C1c1nccs1 ZINC000137892840 569363085 /nfs/dbraw/zinc/36/30/85/569363085.db2.gz ZEAQIPLMLYGEAH-VGQPPMBJSA-N -1 0 410.495 5.279 40 30 HKEBRM CCN(CC)c1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000138037915 569363069 /nfs/dbraw/zinc/36/30/69/569363069.db2.gz KNQMLHSLLIWKTG-YZSQISJMSA-N -1 0 402.494 5.561 40 30 HKEBRM CCc1nnc(C2=C([O-])C(=Cc3ccccc3OCc3ccccc3)SC2=N)s1 ZINC000138048569 569363093 /nfs/dbraw/zinc/36/30/93/569363093.db2.gz IBNZORNCZRWCBU-NQDHANQRSA-N -1 0 421.547 5.097 40 30 HKEBRM Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000138209460 569363074 /nfs/dbraw/zinc/36/30/74/569363074.db2.gz HRKLLGWMFCFBGR-GRXGRPPOSA-N -1 0 413.955 5.622 40 30 HKEBRM N=C1SC(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C([O-])=C1c1nccs1 ZINC000138270131 569363053 /nfs/dbraw/zinc/36/30/53/569363053.db2.gz WWWQESBXVBDMTD-PDLCMLHASA-N -1 0 421.330 6.128 40 30 HKEBRM N=C1SC(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C([O-])=C1c1nccs1 ZINC000138283690 569363106 /nfs/dbraw/zinc/36/31/06/569363106.db2.gz DOGLRTJDNHGRPZ-PDLCMLHASA-N -1 0 421.330 6.128 40 30 HKEBRM CCCCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc12 ZINC000138292120 569363108 /nfs/dbraw/zinc/36/31/08/569363108.db2.gz CRPYFEOMDWOCSI-UUFRBJCLSA-N -1 0 408.548 5.893 40 30 HKEBRM CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)SC2=N)s1 ZINC000138800254 569363055 /nfs/dbraw/zinc/36/30/55/569363055.db2.gz HBYGWQHTQKIKOT-RDJLIJHTSA-N -1 0 422.579 5.234 40 30 HKEBRM Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1cccc(Cl)c1 ZINC000139238415 569363098 /nfs/dbraw/zinc/36/30/98/569363098.db2.gz JBIBHSTXVBJSKU-LTDHIUBMSA-N -1 0 413.955 5.622 40 30 HKEBRM O=C([O-])c1ccc(COc2ccccc2/C=N/c2ccc(-c3ccccc3)cc2)cc1 ZINC000143261644 569363076 /nfs/dbraw/zinc/36/30/76/569363076.db2.gz KAZJEJREZFTHNY-MTDXEUNCSA-N -1 0 407.469 6.381 40 30 HKEBRM COc1cc(/C=N/c2ccccc2SC)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000143505257 569363071 /nfs/dbraw/zinc/36/30/71/569363071.db2.gz VZSXHPWQEJHOLP-ZVHZXABRSA-N -1 0 407.491 5.445 40 30 HKEBRM Cc1cc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)c(C)n1-c1ccc2ncccc2c1 ZINC000145933185 569363189 /nfs/dbraw/zinc/36/31/89/569363189.db2.gz HRWNTDUWWIGJGK-LGJNPRDNSA-N -1 0 403.869 5.745 40 30 HKEBRM COc1cc(/C=N/c2ccccc2C(C)C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000147168583 569363198 /nfs/dbraw/zinc/36/31/98/569363198.db2.gz PKGOISNIEAQMBU-CVKSISIWSA-N -1 0 403.478 5.846 40 30 HKEBRM COc1cc(/C=N/c2ccc(C(C)C)cc2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000147489838 569363197 /nfs/dbraw/zinc/36/31/97/569363197.db2.gz XCPGYIPCFJFTKC-CVKSISIWSA-N -1 0 403.478 5.846 40 30 HKEBRM CC[C@@H](C)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1 ZINC000148501620 569363207 /nfs/dbraw/zinc/36/32/07/569363207.db2.gz ZWKHVROBACTZFH-AXNZHVIBSA-N -1 0 417.505 6.237 40 30 HKEBRM CC[C@H](C)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1 ZINC000148501827 568774045 /nfs/dbraw/zinc/77/40/45/568774045.db2.gz ZWKHVROBACTZFH-NLTKLDOMSA-N -1 0 417.505 6.237 40 30 HKEBRM COc1cc(/C=N/c2ccc3ncccc3c2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000166438886 569363208 /nfs/dbraw/zinc/36/32/08/569363208.db2.gz RHVFWNHPHPHFCE-JFLMPSFJSA-N -1 0 412.445 5.271 40 30 HKEBRM N#Cc1c([N-]S(=O)(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000170550214 569239888 /nfs/dbraw/zinc/23/98/88/569239888.db2.gz IVRJLPTWAXEXFA-UHFFFAOYSA-N -1 0 400.459 5.286 40 30 HKEBRM CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000210531117 571049156 /nfs/dbraw/zinc/04/91/56/571049156.db2.gz YEILXFXYYDTYIO-ZUJMPGSOSA-N -1 0 421.305 5.316 40 30 HKEBRM CCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000210531327 571049144 /nfs/dbraw/zinc/04/91/44/571049144.db2.gz ADPHZFSMPDEERG-ZSICUCBDSA-N -1 0 402.475 5.162 40 30 HKEBRM CCCCCCCCOc1c(Br)cc(C(=O)[O-])cc1Br ZINC000218004034 569281591 /nfs/dbraw/zinc/28/15/91/569281591.db2.gz FKQXSFOYTWRUPF-UHFFFAOYSA-N -1 0 408.130 5.649 40 30 HKEBRM C=CCCCCC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000230402986 568932926 /nfs/dbraw/zinc/93/29/26/568932926.db2.gz WSTJGDVRPQAMSC-RUZDIDTESA-N -1 0 407.510 5.505 40 30 HKEBRM Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1cc([N+](=O)[O-])cc(C)c1[O-] ZINC000245232048 569370293 /nfs/dbraw/zinc/37/02/93/569370293.db2.gz OHKYACABFVEKIS-UHFFFAOYSA-N -1 0 421.840 6.129 40 30 HKEBRM CC(/C=C/[C@]1(C)[C@H](C)C=CC(=O)[C@H]1C)=C\Cc1c([O-])c(Cl)c(C)c(C=O)c1O ZINC000253390658 560039645 /nfs/dbraw/zinc/03/96/45/560039645.db2.gz ZLAQYJKDQSZARB-FUIYZSDZSA-N -1 0 402.918 5.335 40 30 biogenic,in-vitro HKEBRM COc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1ccccc1 ZINC000254305321 569374859 /nfs/dbraw/zinc/37/48/59/569374859.db2.gz MNAVICLDNOSQGO-UHFFFAOYSA-N -1 0 416.506 5.077 40 30 HKEBRM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2C(F)(F)F)cc1 ZINC000254331502 519008413 /nfs/dbraw/zinc/00/84/13/519008413.db2.gz ZUBNTFPDHJZUIE-UHFFFAOYSA-N -1 0 404.461 5.806 40 30 HKEBRM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000254350404 569374851 /nfs/dbraw/zinc/37/48/51/569374851.db2.gz LHLQETWCXXHETK-UHFFFAOYSA-N -1 0 416.506 5.077 40 30 HKEBRM CCc1ccc2oc(-c3cc(N=Cc4cc5c(cc4Cl)OCO5)ccc3[O-])nc2c1 ZINC000254506342 569374786 /nfs/dbraw/zinc/37/47/86/569374786.db2.gz XACKNEHPNGSHBS-UHFFFAOYSA-N -1 0 420.852 5.896 40 30 HKEBRM CC[C@H](C)c1ccc2oc(-c3ccc(N=Cc4cccc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000254764279 569374944 /nfs/dbraw/zinc/37/49/44/569374944.db2.gz BYZGKOBNDWWMOC-HNNXBMFYSA-N -1 0 415.449 6.373 40 30 HKEBRM CC[C@@H](C)c1ccc2oc(-c3ccc(N=Cc4cccc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000254764287 569374913 /nfs/dbraw/zinc/37/49/13/569374913.db2.gz BYZGKOBNDWWMOC-OAHLLOKOSA-N -1 0 415.449 6.373 40 30 HKEBRM CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1cccc(C(=O)[O-])c1 ZINC000254792649 569374923 /nfs/dbraw/zinc/37/49/23/569374923.db2.gz YWFWPXRSJRHBIC-PNVGRYOSSA-N -1 0 422.437 5.018 40 30 HKEBRM Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2 ZINC000408535955 558477435 /nfs/dbraw/zinc/47/74/35/558477435.db2.gz UVCRLACVSPTCEC-BOPFTXTBSA-N -1 0 410.930 5.179 40 30 HKEBRM CCOc1cc(COc2ccc(Cl)cc2/C=N\[O-])ccc1OCc1ccccc1 ZINC000408540252 558488587 /nfs/dbraw/zinc/48/85/87/558488587.db2.gz PEOOGUADXJFKOU-QFEZKATASA-N -1 0 411.885 5.705 40 30 HKEBRM O=C([O-])c1ccc(Cn2cc(/C=N\c3ccc(Cl)c(Cl)c3)c3ccccc32)o1 ZINC000408540865 558484064 /nfs/dbraw/zinc/48/40/64/558484064.db2.gz CFYLYSHYKYNHPW-VROXFSQNSA-N -1 0 413.260 6.038 40 30 HKEBRM O=C([O-])c1ccc(Cn2cc(/C=N/c3cccc(Br)c3)c3ccccc32)o1 ZINC000408541038 558484350 /nfs/dbraw/zinc/48/43/50/558484350.db2.gz DIKBPPIBFUZGOG-FOKLQQMPSA-N -1 0 423.266 5.494 40 30 HKEBRM O=C([O-])c1ccc(Cn2cc(/C=N/c3ccc(Br)cc3)c3ccccc32)o1 ZINC000408541601 558484891 /nfs/dbraw/zinc/48/48/91/558484891.db2.gz GVKVETAEODOAEJ-FOKLQQMPSA-N -1 0 423.266 5.494 40 30 HKEBRM O=C([O-])c1ccc(Cn2cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc32)o1 ZINC000408541974 558486280 /nfs/dbraw/zinc/48/62/80/558486280.db2.gz ILLSMYYARSIOQF-AUEPDCJTSA-N -1 0 423.812 5.293 40 30 HKEBRM CC(C)(C)c1ccc(/N=C\c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)cc1 ZINC000408543127 558490241 /nfs/dbraw/zinc/49/02/41/558490241.db2.gz PHDSZEXHGDVHRY-WGARJPEWSA-N -1 0 400.478 6.029 40 30 HKEBRM CCN(CC)c1ccc(/N=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)cc1 ZINC000408544102 558491414 /nfs/dbraw/zinc/49/14/14/558491414.db2.gz URKYIGFIGKQASA-CVKSISIWSA-N -1 0 415.493 5.578 40 30 HKEBRM O=C([O-])c1ccc(Cn2cc(/C=N\c3cccc(Cl)c3Cl)c3ccccc32)o1 ZINC000408544106 558491393 /nfs/dbraw/zinc/49/13/93/558491393.db2.gz URSSFOBKOVPIIE-VROXFSQNSA-N -1 0 413.260 6.038 40 30 HKEBRM CCCCc1ccc(/N=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)cc1 ZINC000408544595 558491764 /nfs/dbraw/zinc/49/17/64/558491764.db2.gz VDQSJXDFIDUCSA-CVKSISIWSA-N -1 0 400.478 6.074 40 30 HKEBRM COc1ccc(/N=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)cc1Cl ZINC000408544767 557363113 /nfs/dbraw/zinc/36/31/13/557363113.db2.gz XEJTXTNBLUUFQW-BHGWPJFGSA-N -1 0 408.841 5.393 40 30 HKEBRM O=C([O-])c1ccc(Cn2cc(/C=N/c3ccc(-c4ccccc4)cc3)c3ccccc32)o1 ZINC000408544825 557363037 /nfs/dbraw/zinc/36/30/37/557363037.db2.gz XTOPWQQMXVBDCV-LQKURTRISA-N -1 0 420.468 6.398 40 30 HKEBRM COc1ccc(Cl)cc1/N=C/c1cn(Cc2ccc(C(=O)[O-])o2)c2ccccc12 ZINC000408544854 558492002 /nfs/dbraw/zinc/49/20/02/558492002.db2.gz XXXSLCIKKHKRSD-BHGWPJFGSA-N -1 0 408.841 5.393 40 30 HKEBRM CC[C@H](C)c1ccc(/N=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)cc1 ZINC000408545133 557363664 /nfs/dbraw/zinc/36/36/64/557363664.db2.gz ZFYQJLBSNBXUNL-HSOLMKNUSA-N -1 0 400.478 6.245 40 30 HKEBRM CC[C@@H](C)c1ccc(/N=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)cc1 ZINC000408545136 557363619 /nfs/dbraw/zinc/36/36/19/557363619.db2.gz ZFYQJLBSNBXUNL-OXVLKEGXSA-N -1 0 400.478 6.245 40 30 HKEBRM O=C([O-])c1ccc(Cn2cc(/C=N\c3ccc(Cl)cc3Cl)c3ccccc32)o1 ZINC000408545283 557363954 /nfs/dbraw/zinc/36/39/54/557363954.db2.gz XJQSEPZNHLUGIJ-VROXFSQNSA-N -1 0 413.260 6.038 40 30 HKEBRM O=C([O-])c1ccc(Cn2cc(/C=N\c3ccccc3Br)c3ccccc32)o1 ZINC000408545405 558489894 /nfs/dbraw/zinc/48/98/94/558489894.db2.gz YOIDYHOYSMFOMB-KSEXSDGBSA-N -1 0 423.266 5.494 40 30 HKEBRM CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000408692766 558565881 /nfs/dbraw/zinc/56/58/81/558565881.db2.gz URULJDRYZXHHQD-FSJBWODESA-N -1 0 408.845 5.114 40 30 HKEBRM O=C1/C(=C/c2cccc([N+](=O)[O-])c2[O-])S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000408721247 558587694 /nfs/dbraw/zinc/58/76/94/558587694.db2.gz NMJHDMSNBNFJMB-OFPPLWLTSA-N -1 0 417.446 5.109 40 30 HKEBRM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=Nc4ccccc4Cl)NC3=O)o2)cc1 ZINC000408721694 558587765 /nfs/dbraw/zinc/58/77/65/558587765.db2.gz LDRMOOJEEWBHCL-WOJGMQOQSA-N -1 0 424.865 5.190 40 30 HKEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)S2)cc1C ZINC000408729455 558592553 /nfs/dbraw/zinc/59/25/53/558592553.db2.gz FKKRJFRLKYUEMK-NDENLUEZSA-N -1 0 418.474 5.153 40 30 HKEBRM Cc1cc(/C=N/c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1ccc(Br)cc1 ZINC000408738719 558598716 /nfs/dbraw/zinc/59/87/16/558598716.db2.gz NDGXWTHPIZASIS-SSDVNMTOSA-N -1 0 413.271 5.011 40 30 HKEBRM Cc1cc(/C=N/c2ccc(Cl)c([O-])c2)c(C)n1-c1ccc(Br)cc1 ZINC000408738977 557804225 /nfs/dbraw/zinc/80/42/25/557804225.db2.gz QSRGQEHSBBUPPD-SSDVNMTOSA-N -1 0 403.707 5.966 40 30 HKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)S2)cc1 ZINC000408753466 558611035 /nfs/dbraw/zinc/61/10/35/558611035.db2.gz ACMJIORDOTWJRG-MOSHPQCFSA-N -1 0 418.474 5.099 40 30 HKEBRM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)o2)cc1 ZINC000408756857 558613938 /nfs/dbraw/zinc/61/39/38/558613938.db2.gz XVHGKIAUQVVXOZ-WQRHYEAKSA-N -1 0 424.865 5.190 40 30 HKEBRM CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)S2)cc1 ZINC000408757634 558614275 /nfs/dbraw/zinc/61/42/75/558614275.db2.gz BAVIKGVLJZJSSJ-MOSHPQCFSA-N -1 0 418.474 5.099 40 30 HKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=Nc4ccccc4)NC3=O)o2)c1 ZINC000408758661 559271342 /nfs/dbraw/zinc/27/13/42/559271342.db2.gz OSJLZKHCTJJFHE-WQRHYEAKSA-N -1 0 424.865 5.190 40 30 HKEBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)[O-])c3C)c2C)cc1 ZINC000408769413 560638943 /nfs/dbraw/zinc/63/89/43/560638943.db2.gz TZYIRLBXKQNTDY-AFUMVMLFSA-N -1 0 404.466 5.028 40 30 HKEBRM Cc1cc(/C=N\c2cc(C(=O)[O-])ccc2C)c(C)n1-c1ccc(Br)cc1 ZINC000408769597 560638941 /nfs/dbraw/zinc/63/89/41/560638941.db2.gz WLHNINRLWLYQET-FMCGGJTJSA-N -1 0 411.299 5.614 40 30 HKEBRM Cc1cc(/C=N/c2cccc(C(=O)[O-])c2C)c(C)n1-c1ccc(Br)cc1 ZINC000408771655 558632037 /nfs/dbraw/zinc/63/20/37/558632037.db2.gz HXMSENLKPDHAIS-FSJBWODESA-N -1 0 411.299 5.614 40 30 HKEBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)[O-])c(Cl)c3)c2C)cc1 ZINC000408775598 558633556 /nfs/dbraw/zinc/63/35/56/558633556.db2.gz JBIAYGXBZMADPO-DHRITJCHSA-N -1 0 424.884 5.373 40 30 HKEBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)[O-])cc3C)c2C)cc1 ZINC000408777653 560639482 /nfs/dbraw/zinc/63/94/82/560639482.db2.gz DZHRXGOKAGMRIQ-AFUMVMLFSA-N -1 0 404.466 5.028 40 30 HKEBRM Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)c(C)n1-c1ccc(Br)cc1 ZINC000408783002 558639598 /nfs/dbraw/zinc/63/95/98/558639598.db2.gz ZYJFWHJHXPHFMC-FSJBWODESA-N -1 0 411.299 5.614 40 30 HKEBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3cc(C(=O)[O-])ccc3C)c2C)cc1 ZINC000408783170 560641257 /nfs/dbraw/zinc/64/12/57/560641257.db2.gz KVMLZXLLONLCPH-QFEZKATASA-N -1 0 404.466 5.028 40 30 HKEBRM Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c(C)n1-c1ccc(Br)cc1 ZINC000408783560 558639739 /nfs/dbraw/zinc/63/97/39/558639739.db2.gz MVRNWOVEXBEWJT-SRZZPIQSSA-N -1 0 414.259 5.221 40 30 HKEBRM Cc1cc(/C=N/Cc2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1 ZINC000408784368 560641201 /nfs/dbraw/zinc/64/12/01/560641201.db2.gz RYSSLWJDUNWNGL-YDZHTSKRSA-N -1 0 411.299 5.174 40 30 HKEBRM CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)[O-])ccc3Cl)c2C)cc1 ZINC000408787976 560641826 /nfs/dbraw/zinc/64/18/26/560641826.db2.gz BRSOMACXVPHZTL-DHRITJCHSA-N -1 0 424.884 5.373 40 30 HKEBRM Cc1cc(/C=N\c2ccc(C)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408810439 558647444 /nfs/dbraw/zinc/64/74/44/558647444.db2.gz IXPYTBNJBJFDJB-MYKKPKGFSA-N -1 0 401.293 6.158 40 30 HKEBRM COc1cc(/C=N\c2ccc3ccccc3c2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000408815551 558651400 /nfs/dbraw/zinc/65/14/00/558651400.db2.gz JTHPQLHUCJALRV-YUMHPJSZSA-N -1 0 411.457 5.876 40 30 HKEBRM Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408818016 560644776 /nfs/dbraw/zinc/64/47/76/560644776.db2.gz YZWISIBPHHPLKE-VROXFSQNSA-N -1 0 421.711 6.503 40 30 HKEBRM N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000408818679 571310934 /nfs/dbraw/zinc/31/09/34/571310934.db2.gz OKAFRGZZEJVXRH-UHFFFAOYSA-N -1 0 415.836 5.481 40 30 HKEBRM O=C([O-])c1ccc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)cc1Cl ZINC000408818797 558652987 /nfs/dbraw/zinc/65/29/87/558652987.db2.gz QPWQBLOCMIYHLP-WGOQTCKBSA-N -1 0 416.864 6.470 40 30 HKEBRM C=CCc1cc(/C=N\c2ccc(-n3c(C)ccc3C)cc2)cc(OC)c1OCC(=O)[O-] ZINC000408819734 558654417 /nfs/dbraw/zinc/65/44/17/558654417.db2.gz RNWMWFGBXDYMPF-YSMPRRRNSA-N -1 0 418.493 5.045 40 30 HKEBRM COc1cc(/C=N\c2ccc(Cl)cc2O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000408821278 560645481 /nfs/dbraw/zinc/64/54/81/560645481.db2.gz FNVRZRLNGPZEIG-MSXFZWOLSA-N -1 0 411.841 5.082 40 30 HKEBRM CCOc1ccccc1/N=C\c1ccc(OCc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000408822362 558656775 /nfs/dbraw/zinc/65/67/75/558656775.db2.gz LVCCEHBAHHUJLC-MYYYXRDXSA-N -1 0 405.450 5.122 40 30 HKEBRM CCOc1cccc(/N=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)c1 ZINC000408824412 558659710 /nfs/dbraw/zinc/65/97/10/558659710.db2.gz QCCQCNIBPVUHRK-MYYYXRDXSA-N -1 0 405.450 5.122 40 30 HKEBRM O=C([O-])c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000408837446 560645814 /nfs/dbraw/zinc/64/58/14/560645814.db2.gz FNKQWZPTVMJGMV-YSMPRRRNSA-N -1 0 418.518 5.006 40 30 HKEBRM Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408842695 560646130 /nfs/dbraw/zinc/64/61/30/560646130.db2.gz AMHHAELLPBWKQY-VROXFSQNSA-N -1 0 421.711 6.503 40 30 HKEBRM O=C(Nc1ccccc1)c1c(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000408843606 558674916 /nfs/dbraw/zinc/67/49/16/558674916.db2.gz GMPPJQOPJCVFPZ-QRVIBDJDSA-N -1 0 421.478 5.244 40 30 HKEBRM CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)cc1 ZINC000408844246 560646332 /nfs/dbraw/zinc/64/63/32/560646332.db2.gz BQGMIFGBBDDIRU-IXORVSQSSA-N -1 0 408.929 6.710 40 30 HKEBRM CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)cc1 ZINC000408844251 560646307 /nfs/dbraw/zinc/64/63/07/560646307.db2.gz BQGMIFGBBDDIRU-NXYZXBHKSA-N -1 0 408.929 6.710 40 30 HKEBRM O=C(Nc1ccccc1)c1c(/N=C\c2cc([N+](=O)[O-])ccc2[O-])sc2c1CCCC2 ZINC000408846337 560646519 /nfs/dbraw/zinc/64/65/19/560646519.db2.gz MXPBBNYZIDSAQP-QRVIBDJDSA-N -1 0 421.478 5.244 40 30 HKEBRM C=CCc1cc(/C=N/c2ccc(-c3ccccc3)cc2)cc(OC)c1OCC(=O)[O-] ZINC000408846403 560646563 /nfs/dbraw/zinc/64/65/63/560646563.db2.gz KHBBICJKBCLGGO-WGOQTCKBSA-N -1 0 401.462 5.305 40 30 HKEBRM COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000408848090 558680378 /nfs/dbraw/zinc/68/03/78/558680378.db2.gz OVJGFXBCVZLDLL-BHGWPJFGSA-N -1 0 417.292 5.858 40 30 HKEBRM O=C([O-])c1ccc(COc2ccccc2/C=N\c2ccccc2Br)cc1 ZINC000408848267 560646731 /nfs/dbraw/zinc/64/67/31/560646731.db2.gz SQEOKBSQZZZOED-QRVIBDJDSA-N -1 0 410.267 5.477 40 30 HKEBRM O=C([O-])c1ccc(COc2ccccc2/C=N/c2cccc(Br)c2)cc1 ZINC000408850250 560647225 /nfs/dbraw/zinc/64/72/25/560647225.db2.gz JMSHUCQGWQNAFC-YDZHTSKRSA-N -1 0 410.267 5.477 40 30 HKEBRM CCCCc1ccc(/N=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cc1 ZINC000408851045 560647275 /nfs/dbraw/zinc/64/72/75/560647275.db2.gz UZJLRGHMPLFIJR-WPWMEQJKSA-N -1 0 417.505 6.066 40 30 HKEBRM CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)c1 ZINC000408852400 558689588 /nfs/dbraw/zinc/68/95/88/558689588.db2.gz KHVILJVBINVUNE-MXAYSNPKSA-N -1 0 424.884 5.373 40 30 HKEBRM Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408852531 560646814 /nfs/dbraw/zinc/64/68/14/560646814.db2.gz HCHVSXXDXWHBLD-VROXFSQNSA-N -1 0 421.711 6.503 40 30 HKEBRM Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408853193 560646966 /nfs/dbraw/zinc/64/69/66/560646966.db2.gz ZNSBZWKUQXELTI-WGARJPEWSA-N -1 0 402.881 6.350 40 30 HKEBRM COc1cc(/C=N\c2ccc(C(C)(C)C)cc2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000408853513 560647509 /nfs/dbraw/zinc/64/75/09/560647509.db2.gz OXCKPEYQVGBDBV-YUMHPJSZSA-N -1 0 417.505 6.021 40 30 HKEBRM C=CCc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(OC)c1OCC(=O)[O-] ZINC000408853644 560647526 /nfs/dbraw/zinc/64/75/26/560647526.db2.gz VUIYGENPFSAHLJ-YZSQISJMSA-N -1 0 416.477 5.059 40 30 HKEBRM O=C([O-])c1ccc(COc2ccccc2/C=N/c2ccc(C3CCCCC3)cc2)cc1 ZINC000408853809 558690281 /nfs/dbraw/zinc/69/02/81/558690281.db2.gz SLGQSBZPWHHKFD-MTDXEUNCSA-N -1 0 413.517 6.762 40 30 HKEBRM Cc1cc(/C=N/c2cc(Cl)ccc2C)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408854041 558690399 /nfs/dbraw/zinc/69/03/99/558690399.db2.gz WDDWXHJKHCACQW-BHGWPJFGSA-N -1 0 401.293 6.158 40 30 HKEBRM CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)cc1 ZINC000408855146 558691299 /nfs/dbraw/zinc/69/12/99/558691299.db2.gz CNLBQVUJFQDEGP-CVKSISIWSA-N -1 0 423.944 6.043 40 30 HKEBRM Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408855531 558691594 /nfs/dbraw/zinc/69/15/94/558691594.db2.gz NULHIHYEGMZJSM-RMORIDSASA-N -1 0 403.265 5.555 40 30 HKEBRM Cc1cc(/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)ccc1Br ZINC000408856287 558692555 /nfs/dbraw/zinc/69/25/55/558692555.db2.gz JTRFHRYRKVCBIX-ZMOGYAJESA-N -1 0 424.294 5.785 40 30 HKEBRM CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)cc1 ZINC000408856542 558691323 /nfs/dbraw/zinc/69/13/23/558691323.db2.gz KOTYXKNVEOVAGY-DHRITJCHSA-N -1 0 424.884 5.373 40 30 HKEBRM Cc1cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408857982 560647475 /nfs/dbraw/zinc/64/74/75/560647475.db2.gz OMEYNJAJPKHZJX-KSEXSDGBSA-N -1 0 411.845 5.413 40 30 HKEBRM COc1cc(/C=N/c2ccc3ncccc3c2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000408858321 560647496 /nfs/dbraw/zinc/64/74/96/560647496.db2.gz YFPGOHVBWNBYEX-JFLMPSFJSA-N -1 0 412.445 5.271 40 30 HKEBRM Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408858372 558694057 /nfs/dbraw/zinc/69/40/57/558694057.db2.gz RYEJDNSVWBRJON-WGARJPEWSA-N -1 0 408.929 6.494 40 30 HKEBRM O=C([O-])c1cc(/N=C\c2cccn2-c2ccc(Br)cc2)ccc1Cl ZINC000408859315 560647900 /nfs/dbraw/zinc/64/79/00/560647900.db2.gz VQFBLEDOBHPARK-NHDPSOOVSA-N -1 0 403.663 5.342 40 30 HKEBRM Cc1ccc(/N=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000408859381 560647845 /nfs/dbraw/zinc/64/78/45/560647845.db2.gz WPRQEPZXEDRZLW-CFRMEGHHSA-N -1 0 424.294 5.785 40 30 HKEBRM Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408860218 560648051 /nfs/dbraw/zinc/64/80/51/560648051.db2.gz YWXJBHSJJBSVAO-VULFUBBASA-N -1 0 402.881 6.350 40 30 HKEBRM C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1 ZINC000408872003 560648983 /nfs/dbraw/zinc/64/89/83/560648983.db2.gz IYJSRHQBHNDNNA-GWQIXBMCSA-N -1 0 420.534 5.568 40 30 HKEBRM C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1 ZINC000408872004 560649006 /nfs/dbraw/zinc/64/90/06/560649006.db2.gz IYJSRHQBHNDNNA-XXZNUPRBSA-N -1 0 420.534 5.568 40 30 HKEBRM C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1 ZINC000408872005 558706966 /nfs/dbraw/zinc/70/69/66/558706966.db2.gz IYJSRHQBHNDNNA-YMVUCSLUSA-N -1 0 420.534 5.568 40 30 HKEBRM C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1 ZINC000408872006 560649015 /nfs/dbraw/zinc/64/90/15/560649015.db2.gz IYJSRHQBHNDNNA-ZINSTRHDSA-N -1 0 420.534 5.568 40 30 HKEBRM O=C([O-])c1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000408877426 558710521 /nfs/dbraw/zinc/71/05/21/558710521.db2.gz RNNSFNKXXCUYCB-WBUAKJRLSA-N -1 0 424.497 5.461 40 30 HKEBRM O=C([O-])c1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1 ZINC000408910448 560653175 /nfs/dbraw/zinc/65/31/75/560653175.db2.gz KITJSQRNOKTYSU-ZVBGSRNCSA-N -1 0 405.193 5.610 40 30 HKEBRM Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408910555 560653129 /nfs/dbraw/zinc/65/31/29/560653129.db2.gz KTVIJAHPCUTDGV-FMCGGJTJSA-N -1 0 411.299 5.614 40 30 HKEBRM O=C([O-])c1cccc(COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2Cl)c1 ZINC000408910917 558731007 /nfs/dbraw/zinc/73/10/07/558731007.db2.gz LYFBRVBWDCPCKW-UHFFFAOYSA-N -1 0 418.832 5.080 40 30 HKEBRM Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408911655 560653349 /nfs/dbraw/zinc/65/33/49/560653349.db2.gz BFVJANPBOHAKKP-MYKKPKGFSA-N -1 0 401.293 6.158 40 30 HKEBRM Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408912248 560652565 /nfs/dbraw/zinc/65/25/65/560652565.db2.gz QCMCEFGRWHCWLL-FOKLQQMPSA-N -1 0 411.845 5.413 40 30 HKEBRM CC[C@@H](C)N1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408912792 558732328 /nfs/dbraw/zinc/73/23/28/558732328.db2.gz LVAHTIHYKRRMHI-ICVIDMSUSA-N -1 0 411.483 5.011 40 30 HKEBRM CC[C@H](C)N1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408912795 558732412 /nfs/dbraw/zinc/73/24/12/558732412.db2.gz LVAHTIHYKRRMHI-QJJRQKBHSA-N -1 0 411.483 5.011 40 30 HKEBRM Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408912951 560652659 /nfs/dbraw/zinc/65/26/59/560652659.db2.gz IURTXABNQVGIJK-OGLMXYFKSA-N -1 0 414.549 6.899 40 30 HKEBRM Cc1cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408913110 560653080 /nfs/dbraw/zinc/65/30/80/560653080.db2.gz KRZPDHGXTABQOU-MSXFZWOLSA-N -1 0 405.454 5.376 40 30 HKEBRM Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408913803 558734185 /nfs/dbraw/zinc/73/41/85/558734185.db2.gz NXNFMDRWJWWBSE-OGLMXYFKSA-N -1 0 423.516 6.595 40 30 HKEBRM CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=N/c2ccc(C(=O)[O-])cc2)c1C ZINC000408913918 560653668 /nfs/dbraw/zinc/65/36/68/560653668.db2.gz WBANWDSNHYVDSF-WYMPLXKRSA-N -1 0 424.522 5.398 40 30 HKEBRM Cc1ccc(Sc2oc(/C=N/c3cccc(C(=O)[O-])c3)cc2Br)cc1 ZINC000408914316 560653798 /nfs/dbraw/zinc/65/37/98/560653798.db2.gz XPAGCSNNNAXAKS-SRZZPIQSSA-N -1 0 416.296 5.951 40 30 HKEBRM CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)cc1 ZINC000408914539 558734421 /nfs/dbraw/zinc/73/44/21/558734421.db2.gz YJFMNVCSGPVIOU-AFUMVMLFSA-N -1 0 404.466 5.028 40 30 HKEBRM CCCCN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408914613 560653939 /nfs/dbraw/zinc/65/39/39/560653939.db2.gz OKMJXXONYJVRLJ-NFYBBCHUSA-N -1 0 411.483 5.013 40 30 HKEBRM Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408914725 560653969 /nfs/dbraw/zinc/65/39/69/560653969.db2.gz YRKWVRPBFOTDSC-MTDXEUNCSA-N -1 0 423.516 6.273 40 30 HKEBRM Cc1ccc(Sc2oc(/C=N/c3ccccc3[S-])cc2Br)cc1 ZINC000408915478 560654004 /nfs/dbraw/zinc/65/40/04/560654004.db2.gz VXTZTNWXHXKSOV-RGVLZGJSSA-N -1 0 404.354 6.541 40 30 HKEBRM Cc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2C2CCCCC2)cc1 ZINC000408915653 558734710 /nfs/dbraw/zinc/73/47/10/558734710.db2.gz ZEWVPFFPWIQLAD-LPCFMYKTSA-N -1 0 420.534 5.630 40 30 HKEBRM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3cccs3)S/C2=N/c2ccccc2)cc1 ZINC000408917495 560653478 /nfs/dbraw/zinc/65/34/78/560653478.db2.gz VPFBOGZLPOSGEO-ZQRXGZGKSA-N -1 0 420.515 5.251 40 30 HKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000408923097 560654818 /nfs/dbraw/zinc/65/48/18/560654818.db2.gz OWBRSWWMEWTYHR-QQXSKIMKSA-N -1 0 413.321 5.588 40 30 HKEBRM CCCOc1ccc(N=C(c2c(C)[n-]n(-c3ccccc3)c2=O)C(F)(F)F)cc1 ZINC000408927426 560655099 /nfs/dbraw/zinc/65/50/99/560655099.db2.gz WSVLNPLTQVJKNQ-UHFFFAOYSA-N -1 0 403.404 5.358 40 30 HKEBRM O=C([O-])c1ccc(COc2ccccc2C=NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000408931312 560655738 /nfs/dbraw/zinc/65/57/38/560655738.db2.gz JWFMGPAMVSEPDS-ZMFRSBBQSA-N -1 0 414.383 5.429 40 30 HKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2C)cccc1C(=O)[O-] ZINC000408931473 560655814 /nfs/dbraw/zinc/65/58/14/560655814.db2.gz MDKHUDMKIJTIPQ-CEAWZGALSA-N -1 0 421.305 5.234 40 30 HKEBRM O=C([O-])c1ccc(-c2ccc(C=NNc3ccc(C(F)(F)F)cc3)o2)cc1Cl ZINC000408932398 560656101 /nfs/dbraw/zinc/65/61/01/560656101.db2.gz WRQDYTFDUGKEFS-VROXFSQNSA-N -1 0 408.763 5.763 40 30 HKEBRM COc1ccc(Oc2ccc(/N=C/c3cccn3-c3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC000408932730 558752621 /nfs/dbraw/zinc/75/26/21/558752621.db2.gz YWKYNMNAPASAHV-YZSQISJMSA-N -1 0 412.445 5.727 40 30 HKEBRM CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)cc1 ZINC000408933253 558752433 /nfs/dbraw/zinc/75/24/33/558752433.db2.gz AAENSMSGFAINAV-CVKSISIWSA-N -1 0 423.944 6.043 40 30 HKEBRM O=C([O-])c1cc(-c2ccc(C=NNc3ccc(C(F)(F)F)cc3)o2)ccc1Cl ZINC000408933430 558753186 /nfs/dbraw/zinc/75/31/86/558753186.db2.gz JOAFBVQKDLTAIS-YSURURNPSA-N -1 0 408.763 5.763 40 30 HKEBRM Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(C(=O)[O-])cc3)cc1)N2 ZINC000408933831 558752654 /nfs/dbraw/zinc/75/26/54/558752654.db2.gz BNVBALBHLHNPEJ-AOYSYPELSA-N -1 0 408.501 6.270 40 30 HKEBRM Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(C(=O)[O-])cc3)cc1)N2 ZINC000408933833 558752673 /nfs/dbraw/zinc/75/26/73/558752673.db2.gz BNVBALBHLHNPEJ-OYKWSXSVSA-N -1 0 408.501 6.270 40 30 HKEBRM Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(C(=O)[O-])cc3)cc1)N2 ZINC000408933835 558752651 /nfs/dbraw/zinc/75/26/51/558752651.db2.gz BNVBALBHLHNPEJ-SEUCCCPNSA-N -1 0 408.501 6.270 40 30 HKEBRM Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(C(=O)[O-])cc3)cc1)N2 ZINC000408933837 558752901 /nfs/dbraw/zinc/75/29/01/558752901.db2.gz BNVBALBHLHNPEJ-WCJVRYJWSA-N -1 0 408.501 6.270 40 30 HKEBRM O=C([O-])c1ccc(-n2cccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1 ZINC000408934174 560655911 /nfs/dbraw/zinc/65/59/11/560655911.db2.gz LMBAJTROQNXGQK-WPWMEQJKSA-N -1 0 406.441 6.339 40 30 HKEBRM Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408935448 560655908 /nfs/dbraw/zinc/65/59/08/560655908.db2.gz DWAPEQSTZZRZMW-RMORIDSASA-N -1 0 403.265 5.555 40 30 HKEBRM Cc1cc(/C=N/c2ccc(C)cc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408935452 560655878 /nfs/dbraw/zinc/65/58/78/560655878.db2.gz DWGXWLPFRVDQLL-FOKLQQMPSA-N -1 0 411.845 5.413 40 30 HKEBRM Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408936168 560656051 /nfs/dbraw/zinc/65/60/51/560656051.db2.gz FRGDGQZNCBBYLF-FOKLQQMPSA-N -1 0 411.845 5.413 40 30 HKEBRM O=[N+]([O-])c1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)ccc1[O-] ZINC000408937080 558753909 /nfs/dbraw/zinc/75/39/09/558753909.db2.gz MJMOPGUMJRJWAW-CEUKURKVSA-N -1 0 411.461 5.878 40 30 HKEBRM O=[N+]([O-])c1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)ccc1[O-] ZINC000408937082 558753966 /nfs/dbraw/zinc/75/39/66/558753966.db2.gz MJMOPGUMJRJWAW-JHMSPCBRSA-N -1 0 411.461 5.878 40 30 HKEBRM O=[N+]([O-])c1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)ccc1[O-] ZINC000408937083 560656312 /nfs/dbraw/zinc/65/63/12/560656312.db2.gz MJMOPGUMJRJWAW-NJWHOWNYSA-N -1 0 411.461 5.878 40 30 HKEBRM O=[N+]([O-])c1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)ccc1[O-] ZINC000408937085 560656322 /nfs/dbraw/zinc/65/63/22/560656322.db2.gz MJMOPGUMJRJWAW-ZVGNPZKJSA-N -1 0 411.461 5.878 40 30 HKEBRM Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408937466 558754206 /nfs/dbraw/zinc/75/42/06/558754206.db2.gz GPGPEINDPZCLCN-VULFUBBASA-N -1 0 402.881 6.350 40 30 HKEBRM Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408937648 560656470 /nfs/dbraw/zinc/65/64/70/560656470.db2.gz HCMLRUFAJFXUNM-YSURURNPSA-N -1 0 405.256 5.989 40 30 HKEBRM COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000408937651 560656420 /nfs/dbraw/zinc/65/64/20/560656420.db2.gz HDEHOHPSGKWHCP-BHGWPJFGSA-N -1 0 417.292 5.858 40 30 HKEBRM Cc1cc(/C=N/c2cc(Cl)ccc2C)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408939159 560656233 /nfs/dbraw/zinc/65/62/33/560656233.db2.gz IBIKLMCBTDNXTK-BHGWPJFGSA-N -1 0 401.293 6.158 40 30 HKEBRM O=C([O-])c1cccc(COc2ccc(C=NNc3ccc(C(F)(F)F)cc3)cc2)c1 ZINC000408940491 558754685 /nfs/dbraw/zinc/75/46/85/558754685.db2.gz UUAHLWNNKXVAFY-ZMFRSBBQSA-N -1 0 414.383 5.429 40 30 HKEBRM Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408941038 558754723 /nfs/dbraw/zinc/75/47/23/558754723.db2.gz JKYZENFJZFKTJH-WGARJPEWSA-N -1 0 402.881 6.350 40 30 HKEBRM COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)[O-])ccc3Cl)c2C)c(C)c1 ZINC000408941525 560656332 /nfs/dbraw/zinc/65/63/32/560656332.db2.gz VZCSSYLIEGRSOO-BRJLIKDPSA-N -1 0 424.884 5.291 40 30 HKEBRM CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)cc1 ZINC000408941799 560656613 /nfs/dbraw/zinc/65/66/13/560656613.db2.gz KKOYHZVQUOFXNL-DHRITJCHSA-N -1 0 424.884 5.373 40 30 HKEBRM Cc1c(/N=C2\S/C(=C\c3ccc(C(C)(C)C)cc3)C(=O)N2C)cccc1C(=O)[O-] ZINC000408942157 558754647 /nfs/dbraw/zinc/75/46/47/558754647.db2.gz WNPPXBKULLZREM-ZZSQQICMSA-N -1 0 408.523 5.225 40 30 HKEBRM Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408943626 558754815 /nfs/dbraw/zinc/75/48/15/558754815.db2.gz LRFBKOJLKXSYIE-WGARJPEWSA-N -1 0 408.929 6.494 40 30 HKEBRM Cc1cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408943730 560656624 /nfs/dbraw/zinc/65/66/24/560656624.db2.gz LWSVGLOJWGURFP-KSEXSDGBSA-N -1 0 411.845 5.413 40 30 HKEBRM [O-]c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408944984 560656531 /nfs/dbraw/zinc/65/65/31/560656531.db2.gz VQSHSSNFAJLHFF-BGXAXVOZSA-N -1 0 400.909 6.623 40 30 HKEBRM [O-]c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408944988 558754952 /nfs/dbraw/zinc/75/49/52/558754952.db2.gz VQSHSSNFAJLHFF-CMSXCWRSSA-N -1 0 400.909 6.623 40 30 HKEBRM [O-]c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408944992 558754973 /nfs/dbraw/zinc/75/49/73/558754973.db2.gz VQSHSSNFAJLHFF-JDTUQCDQSA-N -1 0 400.909 6.623 40 30 HKEBRM [O-]c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408944995 558754916 /nfs/dbraw/zinc/75/49/16/558754916.db2.gz VQSHSSNFAJLHFF-SKKTVYBZSA-N -1 0 400.909 6.623 40 30 HKEBRM Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc([O-])c(Cl)c3)cc1)N2 ZINC000408945046 558754852 /nfs/dbraw/zinc/75/48/52/558754852.db2.gz VSQCNJFYHFWKGF-KHAAFOKYSA-N -1 0 414.936 6.931 40 30 HKEBRM Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc([O-])c(Cl)c3)cc1)N2 ZINC000408945050 558754909 /nfs/dbraw/zinc/75/49/09/558754909.db2.gz VSQCNJFYHFWKGF-LSSBKUKYSA-N -1 0 414.936 6.931 40 30 HKEBRM Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc([O-])c(Cl)c3)cc1)N2 ZINC000408945054 560656484 /nfs/dbraw/zinc/65/64/84/560656484.db2.gz VSQCNJFYHFWKGF-TULYJACKSA-N -1 0 414.936 6.931 40 30 HKEBRM Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc([O-])c(Cl)c3)cc1)N2 ZINC000408945058 558755006 /nfs/dbraw/zinc/75/50/06/558755006.db2.gz VSQCNJFYHFWKGF-VRBUYGJOSA-N -1 0 414.936 6.931 40 30 HKEBRM Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408945806 560656500 /nfs/dbraw/zinc/65/65/00/560656500.db2.gz OBBAZPMFNAZPRY-VROXFSQNSA-N -1 0 421.711 6.503 40 30 HKEBRM Cc1cc(C=NNc2ccc3ccccc3n2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408946625 558755277 /nfs/dbraw/zinc/75/52/77/558755277.db2.gz PGCDHDRLMCBLGI-DHRITJCHSA-N -1 0 418.884 5.440 40 30 HKEBRM Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408946652 560656861 /nfs/dbraw/zinc/65/68/61/560656861.db2.gz PHXIPBXFFJRFIV-VROXFSQNSA-N -1 0 421.711 6.503 40 30 HKEBRM O=C([O-])COc1ccc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1Cl ZINC000408947479 558755637 /nfs/dbraw/zinc/75/56/37/558755637.db2.gz QDPCWFJJJRESER-DHRITJCHSA-N -1 0 405.837 5.967 40 30 HKEBRM CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)cc1 ZINC000408947496 560656963 /nfs/dbraw/zinc/65/69/63/560656963.db2.gz QGERZIGXSSTOAM-WYMPLXKRSA-N -1 0 409.873 5.155 40 30 HKEBRM Cc1cc(/C=N/c2cccc(Cl)c2C)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408948286 560657061 /nfs/dbraw/zinc/65/70/61/560657061.db2.gz RAWMDKZHPDMMTL-BHGWPJFGSA-N -1 0 401.293 6.158 40 30 HKEBRM CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)c1 ZINC000408948354 558756057 /nfs/dbraw/zinc/75/60/57/558756057.db2.gz RGNRPHVMTWBSQB-MXAYSNPKSA-N -1 0 424.884 5.373 40 30 HKEBRM COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)c(C)c1 ZINC000408948881 558755649 /nfs/dbraw/zinc/75/56/49/558755649.db2.gz RQSDLOVJKISGGB-BRJLIKDPSA-N -1 0 424.884 5.291 40 30 HKEBRM CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)cc1 ZINC000408949908 560656757 /nfs/dbraw/zinc/65/67/57/560656757.db2.gz SQXMRWWWWSSSSQ-CVKSISIWSA-N -1 0 408.929 6.539 40 30 HKEBRM COc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)cc1Cl ZINC000408950566 558756718 /nfs/dbraw/zinc/75/67/18/558756718.db2.gz TXAQKOJMMLOYIT-BHGWPJFGSA-N -1 0 417.292 5.858 40 30 HKEBRM Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408950884 560657408 /nfs/dbraw/zinc/65/74/08/560657408.db2.gz UJTRKGPJZKEXDI-VROXFSQNSA-N -1 0 421.711 6.503 40 30 HKEBRM Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408951600 560657417 /nfs/dbraw/zinc/65/74/17/560657417.db2.gz UQRODXICVTWPRU-LGJNPRDNSA-N -1 0 403.869 5.745 40 30 HKEBRM COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)c1C ZINC000408951663 560657444 /nfs/dbraw/zinc/65/74/44/560657444.db2.gz UUYYPDVEBODVCA-BRJLIKDPSA-N -1 0 424.884 5.291 40 30 HKEBRM COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)c1 ZINC000408953431 560657176 /nfs/dbraw/zinc/65/71/76/560657176.db2.gz WJHCTSPLXPUPGN-BRJLIKDPSA-N -1 0 424.884 5.291 40 30 HKEBRM CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)cc1 ZINC000408953545 558759645 /nfs/dbraw/zinc/75/96/45/558759645.db2.gz WPUXRHGCCAAGBX-IXORVSQSSA-N -1 0 408.929 6.710 40 30 HKEBRM CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)cc1 ZINC000408953547 558759664 /nfs/dbraw/zinc/75/96/64/558759664.db2.gz WPUXRHGCCAAGBX-NXYZXBHKSA-N -1 0 408.929 6.710 40 30 HKEBRM Cc1cc(/C=N/c2ccc(C)c(Cl)c2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408954460 560657305 /nfs/dbraw/zinc/65/73/05/560657305.db2.gz WYAUBYWFNFYFIF-BHGWPJFGSA-N -1 0 401.293 6.158 40 30 HKEBRM O=C([O-])c1ccc(COc2ccccc2/C=N\c2ccc(Cl)cc2Cl)cc1 ZINC000408959517 558767606 /nfs/dbraw/zinc/76/76/06/558767606.db2.gz AFWWSGDVWNTEMR-MSXFZWOLSA-N -1 0 400.261 6.021 40 30 HKEBRM Cc1cc(Br)ccc1/N=C\c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408960076 560657666 /nfs/dbraw/zinc/65/76/66/560657666.db2.gz JAXVNGZOZDIJFE-CFRMEGHHSA-N -1 0 424.294 5.785 40 30 HKEBRM COC(=O)c1ccc(Cl)c(/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)c1 ZINC000408960436 558768099 /nfs/dbraw/zinc/76/80/99/558768099.db2.gz LSDGZHUNYFMTHH-DHRITJCHSA-N -1 0 423.852 5.154 40 30 HKEBRM O=C([O-])c1ccc(COc2ccccc2/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000408960618 558768080 /nfs/dbraw/zinc/76/80/80/558768080.db2.gz NGFSQKXDSKASND-FSJBWODESA-N -1 0 410.813 5.276 40 30 HKEBRM O=C([O-])c1ccc(COc2ccccc2/C=N/c2ccc(Br)cc2)cc1 ZINC000408960652 560657565 /nfs/dbraw/zinc/65/75/65/560657565.db2.gz NLQNBVKRIKVKFS-YDZHTSKRSA-N -1 0 410.267 5.477 40 30 HKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccc(Br)c(Cl)c2)o1 ZINC000408960774 560657544 /nfs/dbraw/zinc/65/75/44/560657544.db2.gz IUWWEBONYSKOQR-LSHDLFTRSA-N -1 0 418.674 6.120 40 30 HKEBRM Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)S1 ZINC000408960962 558767857 /nfs/dbraw/zinc/76/78/57/558767857.db2.gz KJNGZAAOJZAECK-NDENLUEZSA-N -1 0 418.474 5.153 40 30 HKEBRM Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)S2)cc1 ZINC000408961401 558768549 /nfs/dbraw/zinc/76/85/49/558768549.db2.gz BZGXWUNKRGUNGF-UDWIEESQSA-N -1 0 418.474 5.153 40 30 HKEBRM O=C([O-])c1ccc(COc2ccccc2/C=N\c2ccc(Cl)c(Cl)c2)cc1 ZINC000408961424 560658209 /nfs/dbraw/zinc/65/82/09/560658209.db2.gz STTXQGXHHVOPKB-MSXFZWOLSA-N -1 0 400.261 6.021 40 30 HKEBRM CCCCOC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1 ZINC000408961567 560658141 /nfs/dbraw/zinc/65/81/41/560658141.db2.gz NGXHFZPCDOEVFY-MFKUBSTISA-N -1 0 405.450 5.661 40 30 HKEBRM Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)S2)c1 ZINC000408961848 558769976 /nfs/dbraw/zinc/76/99/76/558769976.db2.gz ONKDHUICTVUASV-NDENLUEZSA-N -1 0 418.474 5.153 40 30 HKEBRM O=C([O-])c1ccc(COc2ccccc2/C=N\c2cccc(Cl)c2Cl)cc1 ZINC000408961994 558770171 /nfs/dbraw/zinc/77/01/71/558770171.db2.gz WRTYRJYFJQKXRE-MSXFZWOLSA-N -1 0 400.261 6.021 40 30 HKEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)S2)cc1 ZINC000408962241 560658462 /nfs/dbraw/zinc/65/84/62/560658462.db2.gz RGSVEQDLJYWUDV-NDENLUEZSA-N -1 0 418.474 5.153 40 30 HKEBRM COC(=O)c1cc(/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000408962277 558769403 /nfs/dbraw/zinc/76/94/03/558769403.db2.gz XYESHCYRZZIUAQ-DHRITJCHSA-N -1 0 423.852 5.154 40 30 HKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)o1 ZINC000408962467 558769303 /nfs/dbraw/zinc/76/93/03/558769303.db2.gz SJAFNQCOBOSIRL-KHSCPFDSSA-N -1 0 418.474 5.187 40 30 HKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)o1 ZINC000408963285 558771702 /nfs/dbraw/zinc/77/17/02/558771702.db2.gz YUCYQXWKVYZNKK-LQKURTRISA-N -1 0 421.452 7.117 40 30 HKEBRM Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc(Br)c3[O-])S2)cc1 ZINC000408964048 560658748 /nfs/dbraw/zinc/65/87/48/560658748.db2.gz FJIGYLJUUNLBGA-VGOFMYFVSA-N -1 0 423.719 5.008 40 30 HKEBRM COc1cc(/C=N/c2ccc(F)c(Cl)c2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408964113 558772733 /nfs/dbraw/zinc/77/27/33/558772733.db2.gz BRHGADCKCDREME-BRJLIKDPSA-N -1 0 413.832 5.516 40 30 HKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3cc(C(=O)[O-])ccc3C)c2C)c1 ZINC000408964603 558772907 /nfs/dbraw/zinc/77/29/07/558772907.db2.gz CWWULBSERAWITO-QFEZKATASA-N -1 0 404.466 5.028 40 30 HKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(Cl)c(C(=O)[O-])c3)c2C)c1 ZINC000408964609 558773068 /nfs/dbraw/zinc/77/30/68/558773068.db2.gz CXGLBKGUXMTKIP-MXAYSNPKSA-N -1 0 424.884 5.373 40 30 HKEBRM COc1cc(/C=N\c2ccc3ccccc3c2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408965923 560659103 /nfs/dbraw/zinc/65/91/03/560659103.db2.gz KBCBOQWFVVOHKN-YUMHPJSZSA-N -1 0 411.457 5.876 40 30 HKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(C(=O)[O-])c3C)c2C)c1 ZINC000408966282 558781021 /nfs/dbraw/zinc/78/10/21/558781021.db2.gz LDBLPCJJNQSVFJ-AFUMVMLFSA-N -1 0 404.466 5.028 40 30 HKEBRM COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408966662 560658130 /nfs/dbraw/zinc/65/81/30/560658130.db2.gz NLMINRVOMDNZIT-DHRITJCHSA-N -1 0 409.869 5.685 40 30 HKEBRM Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4C)o3)S2)cc1 ZINC000408967161 558777286 /nfs/dbraw/zinc/77/72/86/558777286.db2.gz STPKUGJZQFAVCB-UDWIEESQSA-N -1 0 418.474 5.153 40 30 HKEBRM COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408967190 558777299 /nfs/dbraw/zinc/77/72/99/558777299.db2.gz QJEGUHGQQUZIRO-DHRITJCHSA-N -1 0 409.869 5.685 40 30 HKEBRM COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408967223 558777294 /nfs/dbraw/zinc/77/72/94/558777294.db2.gz RCOBJQLZSBXGHD-DHRITJCHSA-N -1 0 409.869 5.685 40 30 HKEBRM Cc1cc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967254 558777393 /nfs/dbraw/zinc/77/73/93/558777393.db2.gz POROZAVDACTCID-VULFUBBASA-N -1 0 408.929 6.494 40 30 HKEBRM CCOc1ccccc1/N=C\c1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000408967477 560659322 /nfs/dbraw/zinc/65/93/22/560659322.db2.gz SFTRTWCMVXYQSO-MYYYXRDXSA-N -1 0 405.450 5.122 40 30 HKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cc(C(=O)[O-])ccc3Cl)c2C)c1 ZINC000408967507 558777649 /nfs/dbraw/zinc/77/76/49/558777649.db2.gz SWLCATJQZXEXQS-DHRITJCHSA-N -1 0 424.884 5.373 40 30 HKEBRM Cc1cc(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1-c1ccc2ncccc2c1 ZINC000408967546 560659401 /nfs/dbraw/zinc/65/94/01/560659401.db2.gz UAKNPKKRLOEFDI-ZMFRSBBQSA-N -1 0 403.869 5.745 40 30 HKEBRM Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)cc(Cl)c3[O-])S2)cc1 ZINC000408967666 560659396 /nfs/dbraw/zinc/65/93/96/560659396.db2.gz WONVWJMAKAWFHB-AUWJEWJLSA-N -1 0 423.719 5.008 40 30 HKEBRM Cc1cc(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967680 560659408 /nfs/dbraw/zinc/65/94/08/560659408.db2.gz RQVFRRQWNZMXOD-WGARJPEWSA-N -1 0 408.929 6.494 40 30 HKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C(=O)[O-])c(Cl)c3)c2C)c1 ZINC000408967749 560659389 /nfs/dbraw/zinc/65/93/89/560659389.db2.gz UKLZQZHJSGFYEO-DHRITJCHSA-N -1 0 424.884 5.373 40 30 HKEBRM COc1cc(/C=N/c2cccc3ccccc32)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408967786 560659417 /nfs/dbraw/zinc/65/94/17/560659417.db2.gz UVJNZPPBPFSUJY-JVWAILMASA-N -1 0 411.457 5.876 40 30 HKEBRM Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c([O-])c(Br)c3)S2)cc1 ZINC000408968061 560659398 /nfs/dbraw/zinc/65/93/98/560659398.db2.gz ZFYYIYDHBWDULC-RIYZIHGNSA-N -1 0 423.719 5.008 40 30 HKEBRM COc1cc(/C=N\c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408968185 558778047 /nfs/dbraw/zinc/77/80/47/558778047.db2.gz XBEKBXLFSVKPLS-YUMHPJSZSA-N -1 0 417.505 6.021 40 30 HKEBRM CCCCc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1 ZINC000408968297 558778093 /nfs/dbraw/zinc/77/80/93/558778093.db2.gz YANBWMJFTJYUSZ-WPWMEQJKSA-N -1 0 417.505 6.066 40 30 HKEBRM COc1cc(/C=N\c2ccc(Cl)cc2O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408968436 560659504 /nfs/dbraw/zinc/65/95/04/560659504.db2.gz YVACPRFTESOHIB-MSXFZWOLSA-N -1 0 411.841 5.082 40 30 HKEBRM CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C(=O)[O-])cc3C)c2C)c1 ZINC000408968447 558778060 /nfs/dbraw/zinc/77/80/60/558778060.db2.gz YWRRTVUSUJDJFW-AFUMVMLFSA-N -1 0 404.466 5.028 40 30 HKEBRM CCOc1cccc(/N=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)c1 ZINC000408968473 558778113 /nfs/dbraw/zinc/77/81/13/558778113.db2.gz ZFWLHXKQPPJVJW-MYYYXRDXSA-N -1 0 405.450 5.122 40 30 HKEBRM O=[N+]([O-])c1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1[O-] ZINC000408979567 560661293 /nfs/dbraw/zinc/66/12/93/560661293.db2.gz RNQLGRIAMKHOQF-YDZHTSKRSA-N -1 0 407.495 6.222 40 30 HKEBRM O=C([O-])c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1Cl ZINC000409016813 558860819 /nfs/dbraw/zinc/86/08/19/558860819.db2.gz JMFBBFJMKGFXRT-UFFVCSGVSA-N -1 0 408.331 6.655 40 30 HKEBRM O=C([O-])c1ccc(Cl)c(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1 ZINC000409019257 560667299 /nfs/dbraw/zinc/66/72/99/560667299.db2.gz ZVQVFJMEYMTVCZ-UFFVCSGVSA-N -1 0 408.331 6.655 40 30 HKEBRM COc1cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)ccc1O[C@H](C)C(=O)[O-] ZINC000409020216 560667452 /nfs/dbraw/zinc/66/74/52/560667452.db2.gz MSEMNZNBQWEZGD-KSXCTLEASA-N -1 0 415.445 5.711 40 30 HKEBRM COc1cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)ccc1O[C@@H](C)C(=O)[O-] ZINC000409020217 560667388 /nfs/dbraw/zinc/66/73/88/560667388.db2.gz MSEMNZNBQWEZGD-WBILBPDKSA-N -1 0 415.445 5.711 40 30 HKEBRM CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c([O-])c(Cl)c2)C2=C1CCCC2=O ZINC000409031847 558867535 /nfs/dbraw/zinc/86/75/35/558867535.db2.gz BQIXZWPGMJIYMD-UHFFFAOYSA-N -1 0 406.309 5.132 40 30 HKEBRM CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2[O-])C2=C1CCCC2=O ZINC000409032309 560668429 /nfs/dbraw/zinc/66/84/29/560668429.db2.gz CLQXGTQFMMSIHA-UHFFFAOYSA-N -1 0 406.309 5.132 40 30 HKEBRM CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c([O-])c(Cl)c2)C2=C1CCCC2=O ZINC000409032647 560668404 /nfs/dbraw/zinc/66/84/04/560668404.db2.gz CTOYGLXTWRIPCX-UHFFFAOYSA-N -1 0 420.336 5.522 40 30 HKEBRM CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2[O-])C2=C1CCCC2=O ZINC000409046340 560669533 /nfs/dbraw/zinc/66/95/33/560669533.db2.gz JZGHRWIJMFYIHE-UHFFFAOYSA-N -1 0 420.336 5.522 40 30 HKEBRM CCN1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409052366 558898483 /nfs/dbraw/zinc/89/84/83/558898483.db2.gz CYUFPVCGNPMFHB-PGBYLALNSA-N -1 0 424.522 5.044 40 30 HKEBRM CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409057634 558897309 /nfs/dbraw/zinc/89/73/09/558897309.db2.gz KKBMZYRNAHFQTR-PGBYLALNSA-N -1 0 424.522 5.044 40 30 HKEBRM CCCCOc1ccccc1/C=C1/S/C(=N\c2cccc(C(=O)[O-])c2)N(CC)C1=O ZINC000409057651 560670578 /nfs/dbraw/zinc/67/05/78/560670578.db2.gz KMUALBDRSLOSMC-MIIQOVFOSA-N -1 0 424.522 5.188 40 30 HKEBRM CCCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(CC)C1=O ZINC000409057696 560670598 /nfs/dbraw/zinc/67/05/98/560670598.db2.gz LUYSOYLMEONBHK-MIIQOVFOSA-N -1 0 424.522 5.188 40 30 HKEBRM CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409057804 558897289 /nfs/dbraw/zinc/89/72/89/558897289.db2.gz MJCZKGNRROFGHF-XFKFKZEQSA-N -1 0 408.523 5.306 40 30 HKEBRM CCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409059039 558898904 /nfs/dbraw/zinc/89/89/04/558898904.db2.gz QPMVFQVZRCTFEU-LEKPOWKWSA-N -1 0 421.305 5.316 40 30 HKEBRM CCN1C(=O)/C(=C\c2cccc(OCC(C)C)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409059559 560670977 /nfs/dbraw/zinc/67/09/77/560670977.db2.gz SDJLEAPNZJRZFE-PGBYLALNSA-N -1 0 424.522 5.044 40 30 HKEBRM CCCCOc1cccc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)c1 ZINC000409061412 560671644 /nfs/dbraw/zinc/67/16/44/560671644.db2.gz ZNVMMZICEDVARE-ZSICUCBDSA-N -1 0 424.522 5.188 40 30 HKEBRM CCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)cc1 ZINC000409061468 560671595 /nfs/dbraw/zinc/67/15/95/560671595.db2.gz XPJLYGONYNPKSW-MIIQOVFOSA-N -1 0 424.522 5.188 40 30 HKEBRM CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409062662 560671917 /nfs/dbraw/zinc/67/19/17/560671917.db2.gz YOGKCHHTMIHOIW-PEOCZFDFSA-N -1 0 424.522 5.044 40 30 HKEBRM N#Cc1c2c(sc1/N=C\c1ccc(-c3cc(C(=O)[O-])ccc3Cl)o1)CCCC2 ZINC000409063218 558900181 /nfs/dbraw/zinc/90/01/81/558900181.db2.gz IVEPHSUKHRJKJS-MYKKPKGFSA-N -1 0 410.882 5.861 40 30 HKEBRM CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409064132 560672103 /nfs/dbraw/zinc/67/21/03/560672103.db2.gz BUJZOYIHSCXSJD-ZVHZXABRSA-N -1 0 420.421 5.021 40 30 HKEBRM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(Nc3ccccc3)cc2)c1 ZINC000409064768 560672182 /nfs/dbraw/zinc/67/21/82/560672182.db2.gz FICUQLJUYREVQF-CIAFOILYSA-N -1 0 412.243 5.557 40 30 HKEBRM CCN1C(=O)/C(=C\c2cccc(OCC(C)C)c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000409065327 560672226 /nfs/dbraw/zinc/67/22/26/560672226.db2.gz GAPMRZMFQRIJSA-PEOCZFDFSA-N -1 0 424.522 5.044 40 30 HKEBRM O=C([O-])c1cccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)c1 ZINC000409066986 558910234 /nfs/dbraw/zinc/91/02/34/558910234.db2.gz OKUGXUXEHNHSEI-RMORIDSASA-N -1 0 419.315 5.018 40 30 HKEBRM O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409068514 558913661 /nfs/dbraw/zinc/91/36/61/558913661.db2.gz GTSJCPMUOMUNKZ-FSJBWODESA-N -1 0 410.813 5.276 40 30 HKEBRM CCCCOc1cccc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)c1 ZINC000409071793 558914145 /nfs/dbraw/zinc/91/41/45/558914145.db2.gz PPLLMYHEIRSLPJ-MIIQOVFOSA-N -1 0 424.522 5.188 40 30 HKEBRM O=C([O-])c1cc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cn3)o2)ccc1Cl ZINC000409071939 558914156 /nfs/dbraw/zinc/91/41/56/558914156.db2.gz SWXIFKCYPOXCCO-OPVMPGTRSA-N -1 0 409.751 5.158 40 30 HKEBRM O=C([O-])c1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 ZINC000409072131 560673392 /nfs/dbraw/zinc/67/33/92/560673392.db2.gz IMRXVMQRJUUGTR-AUEPDCJTSA-N -1 0 419.315 5.018 40 30 HKEBRM CCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409072780 560673484 /nfs/dbraw/zinc/67/34/84/560673484.db2.gz SKLCTKNKSYGTIB-GDBHHJMHSA-N -1 0 408.523 5.306 40 30 HKEBRM O=C([O-])c1ccc(COc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 ZINC000409072822 558914912 /nfs/dbraw/zinc/91/49/12/558914912.db2.gz LGISOAXVOSYLTQ-FSJBWODESA-N -1 0 410.813 5.276 40 30 HKEBRM CCN1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409074557 558915099 /nfs/dbraw/zinc/91/50/99/558915099.db2.gz VIXVLXBZPGFXDA-PGBYLALNSA-N -1 0 424.522 5.044 40 30 HKEBRM CCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000409075272 558915721 /nfs/dbraw/zinc/91/57/21/558915721.db2.gz YGBBJRGFZBFZKF-LEKPOWKWSA-N -1 0 421.305 5.316 40 30 HKEBRM CCCCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1 ZINC000409075730 558915725 /nfs/dbraw/zinc/91/57/25/558915725.db2.gz ZTPGLUFJSZDMTE-ZSICUCBDSA-N -1 0 424.522 5.188 40 30 HKEBRM O=C([O-])c1cc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)ccc1Cl ZINC000409081124 558925469 /nfs/dbraw/zinc/92/54/69/558925469.db2.gz NAPLUXOJWNIARG-ZMFRSBBQSA-N -1 0 409.913 5.962 40 30 HKEBRM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409084140 560674158 /nfs/dbraw/zinc/67/41/58/560674158.db2.gz BOBJQIFENUXCJK-CIAFOILYSA-N -1 0 413.227 5.606 40 30 HKEBRM O=C([O-])c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1Cl ZINC000409085497 560674260 /nfs/dbraw/zinc/67/42/60/560674260.db2.gz SHDGJOFVBAMZJU-LGJNPRDNSA-N -1 0 409.913 5.962 40 30 HKEBRM O=C([O-])c1cccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000409085658 558928757 /nfs/dbraw/zinc/92/87/57/558928757.db2.gz CNKKXOJUBAPEBW-RDRPBHBLSA-N -1 0 424.544 6.394 40 30 HKEBRM COc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1[O-] ZINC000409085704 560674236 /nfs/dbraw/zinc/67/42/36/560674236.db2.gz ZRUAVWCJRZUXKA-DOQYOOLYSA-N -1 0 413.499 5.144 40 30 HKEBRM COc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1[O-] ZINC000409085707 558928764 /nfs/dbraw/zinc/92/87/64/558928764.db2.gz ZRUAVWCJRZUXKA-ICXMQADFSA-N -1 0 413.499 5.144 40 30 HKEBRM O=C([O-])c1ccc(Cl)c(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 ZINC000409087286 558929371 /nfs/dbraw/zinc/92/93/71/558929371.db2.gz SSBHMVZDZCFJKI-LGJNPRDNSA-N -1 0 409.913 5.962 40 30 HKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409090376 558930227 /nfs/dbraw/zinc/93/02/27/558930227.db2.gz PGCQYDYKNDVQBJ-JMYYYQBNSA-N -1 0 418.566 5.512 40 30 HKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409090380 560675262 /nfs/dbraw/zinc/67/52/62/560675262.db2.gz PGCQYDYKNDVQBJ-LRJOKAOCSA-N -1 0 418.566 5.512 40 30 HKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409090382 558930298 /nfs/dbraw/zinc/93/02/98/558930298.db2.gz PGCQYDYKNDVQBJ-MRMWAEPLSA-N -1 0 418.566 5.512 40 30 HKEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409090383 558930338 /nfs/dbraw/zinc/93/03/38/558930338.db2.gz PGCQYDYKNDVQBJ-QCECIIMLSA-N -1 0 418.566 5.512 40 30 HKEBRM CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc(Cl)cc(Cl)c3[O-])sc2C1 ZINC000409092040 558930797 /nfs/dbraw/zinc/93/07/97/558930797.db2.gz SLRDSTKAGLDTPF-LYORIEDSSA-N -1 0 407.366 6.534 40 30 HKEBRM CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc(Cl)cc(Cl)c3[O-])sc2C1 ZINC000409092045 558930867 /nfs/dbraw/zinc/93/08/67/558930867.db2.gz SLRDSTKAGLDTPF-ZCUUTASWSA-N -1 0 407.366 6.534 40 30 HKEBRM COc1ccccc1Oc1ccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)cc1 ZINC000409092455 558931013 /nfs/dbraw/zinc/93/10/13/558931013.db2.gz YLPNAAHKLKMKRJ-YZSQISJMSA-N -1 0 412.445 5.727 40 30 HKEBRM CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc([O-])c(Br)c3)sc2C1 ZINC000409092613 560674453 /nfs/dbraw/zinc/67/44/53/560674453.db2.gz VRBBXCIKCDMCLZ-HJQVIKLGSA-N -1 0 417.372 5.989 40 30 HKEBRM CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc([O-])c(Br)c3)sc2C1 ZINC000409092614 560674432 /nfs/dbraw/zinc/67/44/32/560674432.db2.gz VRBBXCIKCDMCLZ-HKNSOBRKSA-N -1 0 417.372 5.989 40 30 HKEBRM O=C([O-])c1ccc(Cl)c(-c2ccc(CN=Nc3ccc(C(F)(F)F)cn3)o2)c1 ZINC000409094679 558931067 /nfs/dbraw/zinc/93/10/67/558931067.db2.gz GAEBYRMOFWTARF-PGGKNCGUSA-N -1 0 409.751 5.158 40 30 HKEBRM O=C([O-])c1cccc(-n2cccc2/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1 ZINC000409094719 560674647 /nfs/dbraw/zinc/67/46/47/560674647.db2.gz FTCHOMCEMHKTQH-WGOQTCKBSA-N -1 0 416.864 6.372 40 30 HKEBRM O=C([O-])c1cc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)ccc1Cl ZINC000409096556 558932101 /nfs/dbraw/zinc/93/21/01/558932101.db2.gz LKSWDTOHHQLOPY-FMCGGJTJSA-N -1 0 402.302 6.593 40 30 HKEBRM O=C([O-])c1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cn3)o2)cc1Cl ZINC000409097496 560676037 /nfs/dbraw/zinc/67/60/37/560676037.db2.gz NXNAMANQENGVSM-PGGKNCGUSA-N -1 0 409.751 5.158 40 30 HKEBRM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Nc3ccccc3)cc2)c1[O-] ZINC000409100082 560676883 /nfs/dbraw/zinc/67/68/83/560676883.db2.gz PSSHTMNFOSZTCK-CIAFOILYSA-N -1 0 412.243 5.557 40 30 HKEBRM O=C([O-])c1cccc(-n2cccc2/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1 ZINC000409100744 558933110 /nfs/dbraw/zinc/93/31/10/558933110.db2.gz WPRVCULONRJNBW-WGOQTCKBSA-N -1 0 416.864 6.372 40 30 HKEBRM O=C([O-])c1cccc(-n2cccc2/C=N/c2ccc(Br)c(Cl)c2)c1 ZINC000409103599 560675563 /nfs/dbraw/zinc/67/55/63/560675563.db2.gz DLVVPKFRDAZWMS-SRZZPIQSSA-N -1 0 403.663 5.342 40 30 HKEBRM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)c1[O-] ZINC000409104699 560675744 /nfs/dbraw/zinc/67/57/44/560675744.db2.gz FBLOFWQZKMQNTJ-CIAFOILYSA-N -1 0 413.227 5.606 40 30 HKEBRM COc1cccc(Oc2ccc(/N=C/c3cccn3-c3cccc(C(=O)[O-])c3)cc2)c1 ZINC000409105303 558934139 /nfs/dbraw/zinc/93/41/39/558934139.db2.gz MLQUUNLLLGNISP-YZSQISJMSA-N -1 0 412.445 5.727 40 30 HKEBRM COc1ccc(Oc2ccc(/N=C/c3cccn3-c3cccc(C(=O)[O-])c3)cc2)cc1 ZINC000409106584 558934989 /nfs/dbraw/zinc/93/49/89/558934989.db2.gz OCXQJLQKVWBNIN-YZSQISJMSA-N -1 0 412.445 5.727 40 30 HKEBRM O=C([O-])c1ccc(Cl)c(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1 ZINC000409107843 558934575 /nfs/dbraw/zinc/93/45/75/558934575.db2.gz RGWBDLUKBSNKIH-FSJBWODESA-N -1 0 402.302 6.593 40 30 HKEBRM N#Cc1c2c(sc1[N-]S(=O)(=O)c1cccc3cccc(Cl)c31)CCCC2 ZINC000409125760 558968429 /nfs/dbraw/zinc/96/84/29/558968429.db2.gz AVANHWYYKXFIIC-UHFFFAOYSA-N -1 0 402.928 5.106 40 30 HKEBRM CC(=O)Nc1ccccc1Sc1ccc(/C=N\c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000409136873 560682564 /nfs/dbraw/zinc/68/25/64/560682564.db2.gz VHZHEZOOKMIQHM-XKZIYDEJSA-N -1 0 407.451 5.161 40 30 HKEBRM CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)S/C1=N/c1ccccc1 ZINC000409159673 560684954 /nfs/dbraw/zinc/68/49/54/560684954.db2.gz WEBRKTILILTMLU-TWGQILOBSA-N -1 0 418.474 5.269 40 30 HKEBRM Cc1ccc(/N=C2/S/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)N2C)cc1 ZINC000409167903 560686430 /nfs/dbraw/zinc/68/64/30/560686430.db2.gz KACYUPCGHDMVGB-QVAAVVQOSA-N -1 0 418.474 5.187 40 30 HKEBRM N#Cc1c(/N=C/c2ccc(OCC(=O)[O-])cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000409173664 558994160 /nfs/dbraw/zinc/99/41/60/558994160.db2.gz NZYAFLXGIUVAFE-LQKURTRISA-N -1 0 422.440 5.699 40 30 HKEBRM O=C([O-])c1ccc(NN=Cc2c(OCc3ccccc3F)ccc3ccccc32)cc1 ZINC000409177217 558999114 /nfs/dbraw/zinc/99/91/14/558999114.db2.gz DSPGZRCAQBJXFV-JFLMPSFJSA-N -1 0 414.436 5.702 40 30 HKEBRM CCOc1cccc(/N=C\c2cccc(OC)c2OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409184758 560688934 /nfs/dbraw/zinc/68/89/34/560688934.db2.gz MWTIGGFFKAFWMO-MYYYXRDXSA-N -1 0 405.450 5.122 40 30 HKEBRM COc1cccc(/C=N/c2ccc(F)c(Cl)c2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186428 560689046 /nfs/dbraw/zinc/68/90/46/560689046.db2.gz BXACHYOMJQCVCX-BRJLIKDPSA-N -1 0 413.832 5.516 40 30 HKEBRM COc1cccc(/C=N/c2cccc(Cl)c2C)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186464 559013430 /nfs/dbraw/zinc/01/34/30/559013430.db2.gz CINDDJWQGOXFJR-DHRITJCHSA-N -1 0 409.869 5.685 40 30 HKEBRM COc1cccc(/C=N/c2cccc3ccccc32)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186720 559013526 /nfs/dbraw/zinc/01/35/26/559013526.db2.gz GZAURFXJNCXLRO-JVWAILMASA-N -1 0 411.457 5.876 40 30 HKEBRM CCCCc1ccc(/N=C/c2cccc(OC)c2OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409186782 559013520 /nfs/dbraw/zinc/01/35/20/559013520.db2.gz HURYRLPLHGKGCJ-WPWMEQJKSA-N -1 0 417.505 6.066 40 30 HKEBRM COc1cccc(/C=N/c2ccc(C)c(Cl)c2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186896 560687933 /nfs/dbraw/zinc/68/79/33/560687933.db2.gz JEWGGGNGJCDPER-DHRITJCHSA-N -1 0 409.869 5.685 40 30 HKEBRM COc1cccc(/C=N\c2ccc(Cl)cc2O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409186931 559013570 /nfs/dbraw/zinc/01/35/70/559013570.db2.gz JTPVUAHFDOJBCX-MSXFZWOLSA-N -1 0 411.841 5.082 40 30 HKEBRM COc1cccc(/C=N/c2cc(Cl)ccc2C)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187253 560688006 /nfs/dbraw/zinc/68/80/06/560688006.db2.gz OBPKQXXXKDDXSH-DHRITJCHSA-N -1 0 409.869 5.685 40 30 HKEBRM CCOc1ccccc1/N=C\c1cccc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187359 560688016 /nfs/dbraw/zinc/68/80/16/560688016.db2.gz PJTTWKXEJSALSV-MYYYXRDXSA-N -1 0 405.450 5.122 40 30 HKEBRM COc1cccc(/C=N\c2ccc(C(C)(C)C)cc2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187392 559013417 /nfs/dbraw/zinc/01/34/17/559013417.db2.gz PWVMWEPLOHPVPP-YUMHPJSZSA-N -1 0 417.505 6.021 40 30 HKEBRM COc1cccc(/C=N/c2ccc3ncccc3c2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409187486 559014033 /nfs/dbraw/zinc/01/40/33/559014033.db2.gz RBQMSSKKGTXXDA-JFLMPSFJSA-N -1 0 412.445 5.271 40 30 HKEBRM CC[C@@H](C)c1ccc(/N=C/c2cccc(OC)c2OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409187504 560688000 /nfs/dbraw/zinc/68/80/00/560688000.db2.gz RHXIEKGJCWFOBU-AXNZHVIBSA-N -1 0 417.505 6.237 40 30 HKEBRM CC[C@H](C)c1ccc(/N=C/c2cccc(OC)c2OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409187505 559014036 /nfs/dbraw/zinc/01/40/36/559014036.db2.gz RHXIEKGJCWFOBU-NLTKLDOMSA-N -1 0 417.505 6.237 40 30 HKEBRM COc1cccc(/C=N\c2ccc3ccccc3c2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409188016 559014063 /nfs/dbraw/zinc/01/40/63/559014063.db2.gz WJENZXYYTUFKTE-YUMHPJSZSA-N -1 0 411.457 5.876 40 30 HKEBRM COc1cccc(/C=N/c2ccc(C(C)C)cc2)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409188281 560688149 /nfs/dbraw/zinc/68/81/49/560688149.db2.gz YGJPYUZIJLFAQL-CVKSISIWSA-N -1 0 403.478 5.846 40 30 HKEBRM COc1cccc(/C=N/c2ccccc2C(C)C)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409188458 559014516 /nfs/dbraw/zinc/01/45/16/559014516.db2.gz ZHMOYGZMGGMGSE-CVKSISIWSA-N -1 0 403.478 5.846 40 30 HKEBRM COc1cccc(/C=N/c2ccccc2SC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409188483 560688107 /nfs/dbraw/zinc/68/81/07/560688107.db2.gz ZSAYGIYPUWJPLI-ZVHZXABRSA-N -1 0 407.491 5.445 40 30 HKEBRM O=C([O-])c1ccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)cc1 ZINC000409199129 559016893 /nfs/dbraw/zinc/01/68/93/559016893.db2.gz BHXUSTCHKCUWOO-WYMPLXKRSA-N -1 0 400.261 6.021 40 30 HKEBRM COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409199133 560690744 /nfs/dbraw/zinc/69/07/44/560690744.db2.gz BOHJVKPLHROCFC-LGJNPRDNSA-N -1 0 423.896 5.993 40 30 HKEBRM Cc1ccc(Cl)cc1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000409199285 560692241 /nfs/dbraw/zinc/69/22/41/560692241.db2.gz BGENTTQTLSTSLP-CNHKJKLMSA-N -1 0 403.501 5.630 40 30 HKEBRM Cc1ccc(C)c(/N=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)c1 ZINC000409199383 559016870 /nfs/dbraw/zinc/01/68/70/559016870.db2.gz CPUMQQTXVQGIDI-LQKURTRISA-N -1 0 409.485 6.484 40 30 HKEBRM COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409199877 560692387 /nfs/dbraw/zinc/69/23/87/560692387.db2.gz FIFSUWMZPGYENF-DHRITJCHSA-N -1 0 409.869 5.685 40 30 HKEBRM N#Cc1c(/N=C/c2ccc(-c3ccccc3C(=O)[O-])o2)sc2c1C1CCN2CC1 ZINC000409200013 559016838 /nfs/dbraw/zinc/01/68/38/559016838.db2.gz GSGLWMZRXHVCEA-WYMPLXKRSA-N -1 0 403.463 5.026 40 30 HKEBRM CCOc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)cc1 ZINC000409200092 560692454 /nfs/dbraw/zinc/69/24/54/560692454.db2.gz GNENGIMFTOSMQX-WGOQTCKBSA-N -1 0 419.477 5.512 40 30 HKEBRM COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409200685 559017026 /nfs/dbraw/zinc/01/70/26/559017026.db2.gz JSGQGUIWRLOJBA-DHRITJCHSA-N -1 0 409.869 5.685 40 30 HKEBRM CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409200780 560692706 /nfs/dbraw/zinc/69/27/06/560692706.db2.gz JJFZIWFTJIFZLL-VULFUBBASA-N -1 0 423.896 6.075 40 30 HKEBRM Cc1ccc(/N=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)cc1C ZINC000409200909 559017250 /nfs/dbraw/zinc/01/72/50/559017250.db2.gz KICLMBHQGXDBNR-LQKURTRISA-N -1 0 409.485 6.484 40 30 HKEBRM O=C([O-])c1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 ZINC000409201309 560692938 /nfs/dbraw/zinc/69/29/38/560692938.db2.gz LKEHAQSGECCUAN-MTDXEUNCSA-N -1 0 423.468 6.507 40 30 HKEBRM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)o1 ZINC000409201375 559017257 /nfs/dbraw/zinc/01/72/57/559017257.db2.gz MHQNGJPLHUDAFJ-AUEHGNIOSA-N -1 0 412.511 5.042 40 30 HKEBRM Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409201398 560692943 /nfs/dbraw/zinc/69/29/43/560692943.db2.gz MRYHLMUTUNLJGA-BRJLIKDPSA-N -1 0 414.288 6.330 40 30 HKEBRM CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409202138 560693218 /nfs/dbraw/zinc/69/32/18/560693218.db2.gz PEWBJIXFTHZAQO-WGOQTCKBSA-N -1 0 403.478 5.676 40 30 HKEBRM CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409202150 559017386 /nfs/dbraw/zinc/01/73/86/559017386.db2.gz PJPYHARVLYBZSS-VULFUBBASA-N -1 0 423.896 6.075 40 30 HKEBRM Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409202377 560693353 /nfs/dbraw/zinc/69/33/53/560693353.db2.gz SDHGWEQDPWMBES-WPWMEQJKSA-N -1 0 409.489 6.287 40 30 HKEBRM COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409202674 560693466 /nfs/dbraw/zinc/69/34/66/560693466.db2.gz STAYRAKSTGCQBK-LGJNPRDNSA-N -1 0 423.896 5.993 40 30 HKEBRM Cc1ccc(Cl)cc1/N=C/c1cc(Br)c([O-])c(Br)c1 ZINC000409202827 559017618 /nfs/dbraw/zinc/01/76/18/559017618.db2.gz STDGJYWXWKHODW-CNHKJKLMSA-N -1 0 403.501 5.630 40 30 HKEBRM Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409203329 560693727 /nfs/dbraw/zinc/69/37/27/560693727.db2.gz WLEYGMYKQNHLDN-BRJLIKDPSA-N -1 0 414.288 6.330 40 30 HKEBRM COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCC(=O)[O-] ZINC000409203376 560693723 /nfs/dbraw/zinc/69/37/23/560693723.db2.gz VVSDZAMQUVPTLE-ZMOGYAJESA-N -1 0 411.841 5.355 40 30 HKEBRM COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409203547 559017470 /nfs/dbraw/zinc/01/74/70/559017470.db2.gz XUDFDXWUBCXCLB-LGJNPRDNSA-N -1 0 423.896 5.993 40 30 HKEBRM CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1 ZINC000409203851 559017439 /nfs/dbraw/zinc/01/74/39/559017439.db2.gz ZEBQUUFSMWJPSJ-VULFUBBASA-N -1 0 423.896 5.939 40 30 HKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)o1 ZINC000409207797 559018648 /nfs/dbraw/zinc/01/86/48/559018648.db2.gz ACORTEWYWRCLQO-AUEHGNIOSA-N -1 0 412.511 5.042 40 30 HKEBRM O=C([O-])c1cc(NN=Cc2ccc(-c3ccccc3C(F)(F)F)o2)ccc1Cl ZINC000409208053 560691643 /nfs/dbraw/zinc/69/16/43/560691643.db2.gz AKUAZWDBQFTSOX-YSURURNPSA-N -1 0 408.763 5.763 40 30 HKEBRM CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409208320 559018610 /nfs/dbraw/zinc/01/86/10/559018610.db2.gz APLRSSLFVDLBFG-CVKSISIWSA-N -1 0 403.478 5.730 40 30 HKEBRM O=C([O-])c1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)cc1 ZINC000409209201 559019305 /nfs/dbraw/zinc/01/93/05/559019305.db2.gz HQNIXWMWUYRUBT-YDZHTSKRSA-N -1 0 410.267 5.477 40 30 HKEBRM CCOc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409209313 559019148 /nfs/dbraw/zinc/01/91/48/559019148.db2.gz FPAYKNDITBKJIP-AFUMVMLFSA-N -1 0 409.869 5.767 40 30 HKEBRM O=C([O-])c1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000409209441 559019259 /nfs/dbraw/zinc/01/92/59/559019259.db2.gz FLQHYQYEWXVMBT-MTDXEUNCSA-N -1 0 423.468 6.507 40 30 HKEBRM COc1ccc(/N=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)cc1 ZINC000409209622 559019351 /nfs/dbraw/zinc/01/93/51/559019351.db2.gz CWMHODXJPSLXOO-JVWAILMASA-N -1 0 411.457 5.876 40 30 HKEBRM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)o1 ZINC000409209655 560694484 /nfs/dbraw/zinc/69/44/84/560694484.db2.gz GZOCAWCUIZJIES-AUEHGNIOSA-N -1 0 412.511 5.042 40 30 HKEBRM Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409209729 560694454 /nfs/dbraw/zinc/69/44/54/560694454.db2.gz ICBYBOVKZGXOHP-BRJLIKDPSA-N -1 0 414.288 6.330 40 30 HKEBRM Cc1ccc(/N=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)c(C)c1 ZINC000409210096 559019700 /nfs/dbraw/zinc/01/97/00/559019700.db2.gz DOOROCUCCWAFFT-LQKURTRISA-N -1 0 409.485 6.484 40 30 HKEBRM O=C([O-])COc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000409210196 559019703 /nfs/dbraw/zinc/01/97/03/559019703.db2.gz FLPKMDROFSZZKF-WYMPLXKRSA-N -1 0 416.260 6.000 40 30 HKEBRM CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1[O-] ZINC000409210211 560694723 /nfs/dbraw/zinc/69/47/23/560694723.db2.gz FNENUGVKWMORIC-DSKMXOTJSA-N -1 0 416.974 6.279 40 30 HKEBRM CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1[O-] ZINC000409210214 559019696 /nfs/dbraw/zinc/01/96/96/559019696.db2.gz FNENUGVKWMORIC-KWRYHKOTSA-N -1 0 416.974 6.279 40 30 HKEBRM CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409210273 559019647 /nfs/dbraw/zinc/01/96/47/559019647.db2.gz JPOGAIMFGVDXMX-VULFUBBASA-N -1 0 423.896 6.075 40 30 HKEBRM CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409210652 560694865 /nfs/dbraw/zinc/69/48/65/560694865.db2.gz LUILUHWLRLOFDE-MFKUBSTISA-N -1 0 405.450 5.122 40 30 HKEBRM COc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc([N+](=O)[O-])c1[O-] ZINC000409210866 559020303 /nfs/dbraw/zinc/02/03/03/559020303.db2.gz LHAXSXPQCFJFHS-DOQYOOLYSA-N -1 0 413.499 5.144 40 30 HKEBRM COc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc([N+](=O)[O-])c1[O-] ZINC000409210869 559020297 /nfs/dbraw/zinc/02/02/97/559020297.db2.gz LHAXSXPQCFJFHS-ICXMQADFSA-N -1 0 413.499 5.144 40 30 HKEBRM CCOc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1 ZINC000409211325 559020506 /nfs/dbraw/zinc/02/05/06/559020506.db2.gz NKDBQVYSLNISDG-MFKUBSTISA-N -1 0 405.450 5.122 40 30 HKEBRM Cc1cccc(/N=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)c1C ZINC000409211355 560695225 /nfs/dbraw/zinc/69/52/25/560695225.db2.gz IUVVAMCIZPKEDC-LQKURTRISA-N -1 0 409.485 6.484 40 30 HKEBRM Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409211861 560695409 /nfs/dbraw/zinc/69/54/09/560695409.db2.gz KJHWQXNCYBUMSC-ZMOGYAJESA-N -1 0 424.294 5.785 40 30 HKEBRM Cc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409211932 559020968 /nfs/dbraw/zinc/02/09/68/559020968.db2.gz PGHVAAUYPIBSSU-WPWMEQJKSA-N -1 0 410.473 6.335 40 30 HKEBRM O=C([O-])c1ccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409211970 560695456 /nfs/dbraw/zinc/69/54/56/560695456.db2.gz LBONQPRAGPUDAO-MTDXEUNCSA-N -1 0 423.468 6.507 40 30 HKEBRM Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000409212181 560695583 /nfs/dbraw/zinc/69/55/83/560695583.db2.gz NRHASCARSJYESA-BRJLIKDPSA-N -1 0 414.288 6.330 40 30 HKEBRM CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409212290 560695663 /nfs/dbraw/zinc/69/56/63/560695663.db2.gz OPCMXEHNVXFTPT-CVKSISIWSA-N -1 0 403.478 5.730 40 30 HKEBRM CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc(Cl)c([O-])c(Cl)c3)sc2C1 ZINC000409212302 560695687 /nfs/dbraw/zinc/69/56/87/560695687.db2.gz PPZQPEDEUMGPLF-LYORIEDSSA-N -1 0 407.366 6.534 40 30 HKEBRM CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc(Cl)c([O-])c(Cl)c3)sc2C1 ZINC000409212304 560695670 /nfs/dbraw/zinc/69/56/70/560695670.db2.gz PPZQPEDEUMGPLF-ZCUUTASWSA-N -1 0 407.366 6.534 40 30 HKEBRM Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409212564 560695739 /nfs/dbraw/zinc/69/57/39/560695739.db2.gz QRWHJVCQLOUPCP-ZMOGYAJESA-N -1 0 424.294 5.785 40 30 HKEBRM CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409212762 559021208 /nfs/dbraw/zinc/02/12/08/559021208.db2.gz QYDVEXWJTUDHQN-CVKSISIWSA-N -1 0 403.478 5.730 40 30 HKEBRM Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409213543 559021409 /nfs/dbraw/zinc/02/14/09/559021409.db2.gz UIZZNRSNRRQYCZ-BRJLIKDPSA-N -1 0 414.288 6.330 40 30 HKEBRM Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)cc1Cl ZINC000409214029 559021319 /nfs/dbraw/zinc/02/13/19/559021319.db2.gz WYDGOKRMAHLYLE-BRJLIKDPSA-N -1 0 414.288 6.330 40 30 HKEBRM Cc1ccc(/N=C/c2cc(Br)c([O-])c(Br)c2)cc1Cl ZINC000409214123 559021349 /nfs/dbraw/zinc/02/13/49/559021349.db2.gz VWVNWBRFSMDASZ-CNHKJKLMSA-N -1 0 403.501 5.630 40 30 HKEBRM CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409214192 559021341 /nfs/dbraw/zinc/02/13/41/559021341.db2.gz WMNASSBNGXXBTK-VULFUBBASA-N -1 0 423.896 6.075 40 30 HKEBRM Cc1ccccc1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000409214267 560696378 /nfs/dbraw/zinc/69/63/78/560696378.db2.gz XCWDXEFZZCNVKZ-ZMOGYAJESA-N -1 0 424.294 5.785 40 30 HKEBRM Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409214314 560696386 /nfs/dbraw/zinc/69/63/86/560696386.db2.gz XKUTWQJJWQTHPW-BRJLIKDPSA-N -1 0 414.288 6.330 40 30 HKEBRM CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409214423 560696484 /nfs/dbraw/zinc/69/64/84/560696484.db2.gz XKGAPELSNAGHCR-CVKSISIWSA-N -1 0 403.478 5.730 40 30 HKEBRM Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1 ZINC000409214512 559021387 /nfs/dbraw/zinc/02/13/87/559021387.db2.gz VOGCTHXFYOYFRN-ZMOGYAJESA-N -1 0 424.294 5.785 40 30 HKEBRM Cc1c(Cl)cccc1/N=C/c1cc(Br)c([O-])c(Br)c1 ZINC000409214926 560696684 /nfs/dbraw/zinc/69/66/84/560696684.db2.gz ZREGOLQRZZSMHI-CNHKJKLMSA-N -1 0 403.501 5.630 40 30 HKEBRM CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000409214950 560696707 /nfs/dbraw/zinc/69/67/07/560696707.db2.gz VJXQERXQHYVCJS-AFUMVMLFSA-N -1 0 409.869 5.767 40 30 HKEBRM Cc1cc(/C=N/c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409215175 559021599 /nfs/dbraw/zinc/02/15/99/559021599.db2.gz XXBSXMFRFMHNNN-OGLMXYFKSA-N -1 0 424.500 6.644 40 30 HKEBRM O=C([O-])c1ccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000409215957 559022233 /nfs/dbraw/zinc/02/22/33/559022233.db2.gz CMAXRSDZXPKGCU-VEILYXNESA-N -1 0 423.468 6.507 40 30 HKEBRM CCc1ccc(/N=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)cc1 ZINC000409216086 560697119 /nfs/dbraw/zinc/69/71/19/560697119.db2.gz HWQIDUVYEFZWCC-OGLMXYFKSA-N -1 0 409.485 6.430 40 30 HKEBRM CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409216493 559022555 /nfs/dbraw/zinc/02/25/55/559022555.db2.gz LXWUMICNJQXAJO-AFUMVMLFSA-N -1 0 409.869 5.767 40 30 HKEBRM COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409216831 560697410 /nfs/dbraw/zinc/69/74/10/560697410.db2.gz LYZJOGOBZOXNHF-LGJNPRDNSA-N -1 0 423.896 5.993 40 30 HKEBRM Cc1cc(/C=N/c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409216920 559022711 /nfs/dbraw/zinc/02/27/11/559022711.db2.gz MKCYCZXAOINEOD-FSJBWODESA-N -1 0 411.299 5.614 40 30 HKEBRM CCOC(=O)c1c2c(sc1/N=C/c1ccc(-c3ccccc3C(=O)[O-])o1)CCCC2 ZINC000409217615 560697601 /nfs/dbraw/zinc/69/76/01/560697601.db2.gz DRMLCGCHMMEMQQ-ZMOGYAJESA-N -1 0 423.490 5.512 40 30 HKEBRM O=C([O-])c1ccc(COc2ccc(/C=N/c3ccccc3)cc2Br)cc1 ZINC000409217625 560697590 /nfs/dbraw/zinc/69/75/90/560697590.db2.gz QWKVSMBBUVAJPT-YDZHTSKRSA-N -1 0 410.267 5.477 40 30 HKEBRM CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409218471 559022931 /nfs/dbraw/zinc/02/29/31/559022931.db2.gz VLVYJZOVWYCBKO-VULFUBBASA-N -1 0 423.896 6.075 40 30 HKEBRM Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000409219019 560697861 /nfs/dbraw/zinc/69/78/61/560697861.db2.gz ZQWYHDTXBZIHRD-BRJLIKDPSA-N -1 0 414.288 6.330 40 30 HKEBRM CCOC(=O)c1c2c(sc1/N=C\c1ccc(-c3cccc(C(=O)[O-])c3)o1)CCCC2 ZINC000409220213 559024001 /nfs/dbraw/zinc/02/40/01/559024001.db2.gz ZKAOGXDASMLFGQ-CFRMEGHHSA-N -1 0 423.490 5.512 40 30 HKEBRM COc1ccccc1Oc1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)[O-])cc1 ZINC000409220796 559026611 /nfs/dbraw/zinc/02/66/11/559026611.db2.gz FYCMFGTWUKBDCP-FYHAJLKWSA-N -1 0 421.449 5.099 40 30 HKEBRM COc1ccccc1Oc1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)[O-])cc1 ZINC000409220797 559026627 /nfs/dbraw/zinc/02/66/27/559026627.db2.gz FYCMFGTWUKBDCP-JZCUADNKSA-N -1 0 421.449 5.099 40 30 HKEBRM O=C([O-])c1cc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)ccc1Cl ZINC000409224435 560697961 /nfs/dbraw/zinc/69/79/61/560697961.db2.gz HPVYYEUNVHYCEV-LGJNPRDNSA-N -1 0 406.844 5.931 40 30 HKEBRM COc1cccc(Oc2ccc(/N=C/c3cccn3-c3ccc(C(=O)[O-])cc3)cc2)c1 ZINC000409228042 560698331 /nfs/dbraw/zinc/69/83/31/560698331.db2.gz SUDIFQUVPKKOJR-YZSQISJMSA-N -1 0 412.445 5.727 40 30 HKEBRM COc1ccc(Oc2ccc(/N=C/c3cccc(OC)c3O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000409229402 559036006 /nfs/dbraw/zinc/03/60/06/559036006.db2.gz OMRNIMPDBRKQMW-FYHAJLKWSA-N -1 0 421.449 5.099 40 30 HKEBRM COc1ccc(Oc2ccc(/N=C/c3cccc(OC)c3O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000409229403 559035975 /nfs/dbraw/zinc/03/59/75/559035975.db2.gz OMRNIMPDBRKQMW-JZCUADNKSA-N -1 0 421.449 5.099 40 30 HKEBRM O=C([O-])c1ccc(-n2cccc2/C=N/c2ccc(Br)c(Cl)c2)cc1 ZINC000409229486 560698529 /nfs/dbraw/zinc/69/85/29/560698529.db2.gz PVVJJNXUCVMYCR-SRZZPIQSSA-N -1 0 403.663 5.342 40 30 HKEBRM O=C([O-])c1ccc(-n2cccc2/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)cc1 ZINC000409229802 559036003 /nfs/dbraw/zinc/03/60/03/559036003.db2.gz VEORWYKWCJTXEP-WGOQTCKBSA-N -1 0 416.864 6.372 40 30 HKEBRM Cc1ccc(-c2ccc(/C=N/c3cc(C(=O)[O-])ccc3Cl)o2)c(Br)c1 ZINC000409231243 559036351 /nfs/dbraw/zinc/03/63/51/559036351.db2.gz ISZSEAHJPKZKSK-LSHDLFTRSA-N -1 0 418.674 6.120 40 30 HKEBRM COc1cccc(/C=N/c2ccc(Oc3ccccc3C)cc2)c1O[C@H](C)C(=O)[O-] ZINC000409233784 559047914 /nfs/dbraw/zinc/04/79/14/559047914.db2.gz XEZOUTNYGNOPKD-SCELWYEFSA-N -1 0 405.450 5.398 40 30 HKEBRM COc1cccc(/C=N/c2ccc(Oc3ccccc3C)cc2)c1O[C@@H](C)C(=O)[O-] ZINC000409233785 559047911 /nfs/dbraw/zinc/04/79/11/559047911.db2.gz XEZOUTNYGNOPKD-STPJHCLOSA-N -1 0 405.450 5.398 40 30 HKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Cl)c([O-])c(Cl)c2)S1 ZINC000409234048 560700896 /nfs/dbraw/zinc/70/08/96/560700896.db2.gz YEVDQWJOFADJHH-VGOFMYFVSA-N -1 0 413.713 5.552 40 30 HKEBRM CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2[O-])S/C1=N/c1ccc(F)cc1 ZINC000409234830 559049146 /nfs/dbraw/zinc/04/91/46/559049146.db2.gz MXLOWABMWVNTBK-QZUMTDLQSA-N -1 0 411.285 5.462 40 30 HKEBRM O=C([O-])c1ccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000409238702 560699527 /nfs/dbraw/zinc/69/95/27/560699527.db2.gz FJNYLPKLIONERZ-RDRPBHBLSA-N -1 0 424.544 6.394 40 30 HKEBRM CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2[O-])S/C1=N/c1ccc(OC)cc1 ZINC000409241050 559050028 /nfs/dbraw/zinc/05/00/28/559050028.db2.gz WSEPEGQOSLKPMC-FJQPQQQZSA-N -1 0 423.321 5.332 40 30 HKEBRM COc1cccc(/C=N/c2ccc(Oc3ccc(C)cc3)cc2)c1O[C@H](C)C(=O)[O-] ZINC000409242046 559050120 /nfs/dbraw/zinc/05/01/20/559050120.db2.gz PXNGWDZEDLFAFC-SCELWYEFSA-N -1 0 405.450 5.398 40 30 HKEBRM COc1cccc(/C=N/c2ccc(Oc3ccc(C)cc3)cc2)c1O[C@@H](C)C(=O)[O-] ZINC000409242047 559050179 /nfs/dbraw/zinc/05/01/79/559050179.db2.gz PXNGWDZEDLFAFC-STPJHCLOSA-N -1 0 405.450 5.398 40 30 HKEBRM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2[O-])S1 ZINC000409242345 559050195 /nfs/dbraw/zinc/05/01/95/559050195.db2.gz RALDNDUOYMMYCT-MKMNVTDBSA-N -1 0 413.713 5.552 40 30 HKEBRM COc1cccc(Oc2ccc(/N=C/c3cccc(OC)c3O[C@H](C)C(=O)[O-])cc2)c1 ZINC000409242717 559050200 /nfs/dbraw/zinc/05/02/00/559050200.db2.gz XYARQNUXOLZOKI-FYHAJLKWSA-N -1 0 421.449 5.099 40 30 HKEBRM COc1cccc(Oc2ccc(/N=C/c3cccc(OC)c3O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000409242719 559050168 /nfs/dbraw/zinc/05/01/68/559050168.db2.gz XYARQNUXOLZOKI-JZCUADNKSA-N -1 0 421.449 5.099 40 30 HKEBRM Cc1ccc(-c2ccc(/C=N\c3ccc(Cl)c(C(=O)[O-])c3)o2)c(Br)c1 ZINC000409245967 560701411 /nfs/dbraw/zinc/70/14/11/560701411.db2.gz BREOIWJBLPNAKB-YVNNLAQVSA-N -1 0 418.674 6.120 40 30 HKEBRM CCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(Cl)c2)S/C1=N/c1ccc(F)cc1 ZINC000409246484 560701524 /nfs/dbraw/zinc/70/15/24/560701524.db2.gz BVYMRMMCXPLPEU-ROGFPXQNSA-N -1 0 411.285 5.462 40 30 HKEBRM Cc1ccc(-c2ccc(/C=N\c3ccc(O)c(C(=O)[O-])c3)o2)c(Br)c1 ZINC000409246535 559050274 /nfs/dbraw/zinc/05/02/74/559050274.db2.gz CMWWMRNMGYCOJG-FBHDLOMBSA-N -1 0 400.228 5.172 40 30 HKEBRM O=C([O-])c1ccc(Cl)c(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 ZINC000409247317 559050227 /nfs/dbraw/zinc/05/02/27/559050227.db2.gz MNZSQAXATGEGGI-ZMFRSBBQSA-N -1 0 406.844 5.931 40 30 HKEBRM O=C([O-])c1ccc(-n2cccc2/C=N/c2ccc(Oc3ccccc3Cl)cc2)cc1 ZINC000409248945 560701955 /nfs/dbraw/zinc/70/19/55/560701955.db2.gz MDWBBKBFXRUZPJ-WGOQTCKBSA-N -1 0 416.864 6.372 40 30 HKEBRM COc1ccccc1Oc1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000409249980 560702087 /nfs/dbraw/zinc/70/20/87/560702087.db2.gz KPCQBODLLSJIEH-YZSQISJMSA-N -1 0 412.445 5.727 40 30 HKEBRM O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cc(Cl)c([O-])c(Cl)c1 ZINC000409286351 559052403 /nfs/dbraw/zinc/05/24/03/559052403.db2.gz VZWVTINADUZMNH-UHFFFAOYSA-N -1 0 416.308 5.339 40 30 HKEBRM N#Cc1c(/N=C/c2ccc([O-])c(Br)c2)oc(-c2ccco2)c1-c1ccco1 ZINC000409370889 560716810 /nfs/dbraw/zinc/71/68/10/560716810.db2.gz VGBTZVCERLUNRL-FOKLQQMPSA-N -1 0 423.222 5.890 40 30 HKEBRM Cc1ccc(NC(=O)COc2cccc(/C=N/c3cccc(C(=O)[O-])c3C)c2)cc1C ZINC000409371440 559069984 /nfs/dbraw/zinc/06/99/84/559069984.db2.gz WQJKHYLNJWIHJB-VULFUBBASA-N -1 0 416.477 5.078 40 30 HKEBRM COc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc([N+](=O)[O-])c1[O-] ZINC000409375004 559070098 /nfs/dbraw/zinc/07/00/98/559070098.db2.gz CZKGCIGUUJXMJY-FOKLQQMPSA-N -1 0 419.349 5.044 40 30 HKEBRM Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(C(=O)[O-])cc3C)c2)cc1C ZINC000409377221 560718079 /nfs/dbraw/zinc/71/80/79/560718079.db2.gz FUYLYWVBAGJPSZ-VULFUBBASA-N -1 0 416.477 5.078 40 30 HKEBRM COc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc(Cl)c1[O-] ZINC000409381594 559071080 /nfs/dbraw/zinc/07/10/80/559071080.db2.gz HGKPPHBRESSESO-BHGWPJFGSA-N -1 0 408.797 5.789 40 30 HKEBRM CCOc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc(Cl)c1[O-] ZINC000409382186 559071035 /nfs/dbraw/zinc/07/10/35/559071035.db2.gz PSWMIJZSODPXAG-BRJLIKDPSA-N -1 0 422.824 6.180 40 30 HKEBRM COc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c([O-])c([N+](=O)[O-])c1 ZINC000409382756 560717466 /nfs/dbraw/zinc/71/74/66/560717466.db2.gz QNLMEYQCWKBCCQ-FOKLQQMPSA-N -1 0 419.349 5.044 40 30 HKEBRM COc1ccc(/N=C\c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)cc1 ZINC000409384416 559071424 /nfs/dbraw/zinc/07/14/24/559071424.db2.gz CLSUSBZEIJQDTC-CFRMEGHHSA-N -1 0 408.523 5.492 40 30 HKEBRM Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384446 560717695 /nfs/dbraw/zinc/71/76/95/560717695.db2.gz CAVLKYLFUYSCCP-MSXFZWOLSA-N -1 0 412.942 6.137 40 30 HKEBRM CSc1ccccc1/N=C/c1cc(C)n(-c2sc3c(c2C(=O)[O-])CCCC3)c1C ZINC000409384456 559071350 /nfs/dbraw/zinc/07/13/50/559071350.db2.gz CFLWJOFTZUTSHM-ZMOGYAJESA-N -1 0 424.591 6.205 40 30 HKEBRM CCN(CC)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)cc1 ZINC000409384468 560717727 /nfs/dbraw/zinc/71/77/27/560717727.db2.gz CMCDDZPVNHUTOM-MFKUBSTISA-N -1 0 422.481 5.162 40 30 HKEBRM Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384499 559071441 /nfs/dbraw/zinc/07/14/41/559071441.db2.gz CVQMORYHWWUIFY-DHRITJCHSA-N -1 0 403.507 5.355 40 30 HKEBRM Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384598 559071387 /nfs/dbraw/zinc/07/13/87/559071387.db2.gz DRRXQLTUERBYCC-OPEKNORGSA-N -1 0 414.477 5.761 40 30 HKEBRM COc1cc(/C=N\c2cccc(Cl)c2Cl)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409384709 559071268 /nfs/dbraw/zinc/07/12/68/559071268.db2.gz CVFDWRVBEZPALX-RMORIDSASA-N -1 0 420.248 5.623 40 30 HKEBRM Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384892 560717749 /nfs/dbraw/zinc/71/77/49/560717749.db2.gz FQAXZRRYFQQMGO-WYMPLXKRSA-N -1 0 412.942 6.137 40 30 HKEBRM CC(=O)c1ccc(N=Cc2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)cc1 ZINC000409384909 559071198 /nfs/dbraw/zinc/07/11/98/559071198.db2.gz FZNILMQYPVCORR-DHRITJCHSA-N -1 0 420.534 5.686 40 30 HKEBRM COc1cc(/C=N\c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409384989 559071239 /nfs/dbraw/zinc/07/12/39/559071239.db2.gz HAWQALXEWRODPH-QFEZKATASA-N -1 0 407.466 5.614 40 30 HKEBRM COc1cc(/C=N\c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409384990 559071249 /nfs/dbraw/zinc/07/12/49/559071249.db2.gz HBCCDEDSFOGHNS-RMORIDSASA-N -1 0 420.248 5.623 40 30 HKEBRM COc1cc(/C=N\c2ccc3ccccc3c2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385007 559071238 /nfs/dbraw/zinc/07/12/38/559071238.db2.gz HNCWCLUGBOBGRR-QFEZKATASA-N -1 0 401.418 5.469 40 30 HKEBRM Cc1cc(/C=N/c2ccc(F)c(C)c2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385346 560717745 /nfs/dbraw/zinc/71/77/45/560717745.db2.gz JRJZWNBAFKQJRS-BRJLIKDPSA-N -1 0 410.514 5.931 40 30 HKEBRM Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385482 560717817 /nfs/dbraw/zinc/71/78/17/560717817.db2.gz MHCIHSCCSIKCNH-MSXFZWOLSA-N -1 0 412.942 6.137 40 30 HKEBRM COc1cccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)c1 ZINC000409385489 559071648 /nfs/dbraw/zinc/07/16/48/559071648.db2.gz KWQRVFZZQQYYPI-ZMOGYAJESA-N -1 0 408.523 5.492 40 30 HKEBRM COc1cc(/C=N/c2cccc3ccccc32)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385512 559071769 /nfs/dbraw/zinc/07/17/69/559071769.db2.gz MSUJNGRYURNVOR-AFUMVMLFSA-N -1 0 401.418 5.469 40 30 HKEBRM Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385924 560719802 /nfs/dbraw/zinc/71/98/02/560719802.db2.gz MLRDQXJGAIFKMJ-MYKKPKGFSA-N -1 0 422.506 5.212 40 30 HKEBRM CC[C@@H](C)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)cc1 ZINC000409385951 559071509 /nfs/dbraw/zinc/07/15/09/559071509.db2.gz OVYBNPHVBJAODK-FRQJIFLKSA-N -1 0 407.466 5.830 40 30 HKEBRM CC[C@H](C)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)cc1 ZINC000409385953 560719854 /nfs/dbraw/zinc/71/98/54/560719854.db2.gz OVYBNPHVBJAODK-MMDHUZEPSA-N -1 0 407.466 5.830 40 30 HKEBRM COc1cc(/C=N/c2ccc(F)c(Cl)c2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385983 559071560 /nfs/dbraw/zinc/07/15/60/559071560.db2.gz PEEXJLIXBVXVLK-AUEPDCJTSA-N -1 0 403.793 5.109 40 30 HKEBRM COc1cc(/C=N\c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386020 559071511 /nfs/dbraw/zinc/07/15/11/559071511.db2.gz QCVUHQBJOIXUFT-RMORIDSASA-N -1 0 420.248 5.623 40 30 HKEBRM Cc1ccc(NC(=O)COc2cccc(/C=N\c3cc(C(=O)[O-])ccc3C)c2)cc1C ZINC000409386108 559071553 /nfs/dbraw/zinc/07/15/53/559071553.db2.gz LCKFMTVPDSCOGQ-WGARJPEWSA-N -1 0 416.477 5.078 40 30 HKEBRM Cc1cc(/C=N\c2cc(C)ccc2C)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386628 559071638 /nfs/dbraw/zinc/07/16/38/559071638.db2.gz QUKCCTJXQVIDGZ-MXAYSNPKSA-N -1 0 406.551 6.100 40 30 HKEBRM COc1ccccc1/N=C/c1cc(C)n(-c2sc3c(c2C(=O)[O-])CCCC3)c1C ZINC000409386753 559071737 /nfs/dbraw/zinc/07/17/37/559071737.db2.gz RTMHPMHPADPPMM-ZMOGYAJESA-N -1 0 408.523 5.492 40 30 HKEBRM Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386792 560719913 /nfs/dbraw/zinc/71/99/13/560719913.db2.gz RYOAHECANFRRNP-FMCGGJTJSA-N -1 0 423.494 5.391 40 30 HKEBRM CCOc1ccccc1/N=C\c1cc(C)n(-c2sc3c(c2C(=O)[O-])CCCC3)c1C ZINC000409386803 559071660 /nfs/dbraw/zinc/07/16/60/559071660.db2.gz SBANPUJZCONOKZ-QFEZKATASA-N -1 0 422.550 5.882 40 30 HKEBRM Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387099 560719888 /nfs/dbraw/zinc/71/98/88/560719888.db2.gz TWGLXROHKINHEZ-DHRITJCHSA-N -1 0 406.551 6.100 40 30 HKEBRM CCCCc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])o3)c(OC)c2)cc1 ZINC000409387131 559071682 /nfs/dbraw/zinc/07/16/82/559071682.db2.gz ZTUNDBBYQVATPQ-MFKUBSTISA-N -1 0 407.466 5.659 40 30 HKEBRM Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387145 559071671 /nfs/dbraw/zinc/07/16/71/559071671.db2.gz ZVRDPOMXHDXBAX-QFEZKATASA-N -1 0 421.566 5.549 40 30 HKEBRM Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387196 559071662 /nfs/dbraw/zinc/07/16/62/559071662.db2.gz UQCSLPKMXJPUQI-FMCGGJTJSA-N -1 0 423.494 5.391 40 30 HKEBRM Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387334 559071697 /nfs/dbraw/zinc/07/16/97/559071697.db2.gz VQROYGSEUSQXDL-VULFUBBASA-N -1 0 420.578 6.607 40 30 HKEBRM Cc1cc(/C=N\c2ccc(C)cc2C)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387362 560720030 /nfs/dbraw/zinc/72/00/30/560720030.db2.gz VXTDFEHMNAAKRV-MXAYSNPKSA-N -1 0 406.551 6.100 40 30 HKEBRM CCc1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)cc1 ZINC000409388018 560720117 /nfs/dbraw/zinc/72/01/17/560720117.db2.gz ZTWGUYGYNNWYKL-AFUMVMLFSA-N -1 0 406.551 6.046 40 30 HKEBRM C/C=C1\C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H](C)CCC(=O)[O-])[C@]3(C)CC[C@H]2[C@]2(C)CC[C@H](O)C[C@H]12 ZINC000584578908 569027244 /nfs/dbraw/zinc/02/72/44/569027244.db2.gz RDCBMNFSJFALPG-DZFKQICLSA-N -1 0 416.602 5.242 40 30 HKEBRM C=C(C)[C@@H]1C[C@@H](c2ccc(Cl)cc2)[C@@H](CC(C)C)O[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000585266538 569030134 /nfs/dbraw/zinc/03/01/34/569030134.db2.gz DMRDXHBGQPFQPE-XQUALCHDSA-N -1 0 412.957 6.890 40 30 HKEBRM