smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4[nH]c3-c3ccccc3)C2=O)c1 ZINC000009109468 132335753 /nfs/dbraw/zinc/33/57/53/132335753.db2.gz SLXDNOTYQDXJOY-RCCKNPSSSA-N -1 0 421.456 4.810 50 10 HJCARM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000000970746 521297165 /nfs/dbraw/zinc/29/71/65/521297165.db2.gz LICYIYAAMQMKJL-CPNJWEJPSA-N -1 0 420.852 4.558 50 10 HJCARM O=C([N-]N1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S)c1cccs1 ZINC000001411661 526842101 /nfs/dbraw/zinc/84/21/01/526842101.db2.gz AZFHWLRNWSXQIX-LFIBNONCSA-N -1 0 412.517 4.554 50 10 HJCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000002933888 557428113 /nfs/dbraw/zinc/42/81/13/557428113.db2.gz HMTBWHFPCMOWNX-LCYFTJDESA-N -1 0 404.340 4.840 50 10 HJCARM O=C([O-])[C@@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000004145951 557519965 /nfs/dbraw/zinc/51/99/65/557519965.db2.gz XMSLTHISAKVCBH-HXUWFJFHSA-N -1 0 407.853 4.709 50 10 HJCARM Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000004646452 557574822 /nfs/dbraw/zinc/57/48/22/557574822.db2.gz ZIBHMEOKOOPISH-XKZIYDEJSA-N -1 0 400.482 4.618 50 10 HJCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000013810322 558595440 /nfs/dbraw/zinc/59/54/40/558595440.db2.gz KDPFFLQVSIFHFE-BOPFTXTBSA-N -1 0 410.788 4.610 50 10 HJCARM O=C([O-])c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000013829351 558596567 /nfs/dbraw/zinc/59/65/67/558596567.db2.gz JIMHYXZZCWVCMI-RIYZIHGNSA-N -1 0 409.410 4.809 50 10 in-vitro HJCARM CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004623604 558887249 /nfs/dbraw/zinc/88/72/49/558887249.db2.gz UTOVQTGYUDRRIQ-SKPFHBQLSA-N -1 0 404.510 4.841 50 10 HJCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc([N+](=O)[O-])c1 ZINC000100505314 559135910 /nfs/dbraw/zinc/13/59/10/559135910.db2.gz SOGVFRJWAJIJTC-BFQBXFRASA-N -1 0 406.427 4.593 50 10 HJCARM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000012274222 568457270 /nfs/dbraw/zinc/45/72/70/568457270.db2.gz MUZAHBYNLRNZDV-VUVCFOEZSA-N -1 0 419.499 4.930 50 10 HJCARM O=C1[N-]N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000000669318 568460496 /nfs/dbraw/zinc/46/04/96/568460496.db2.gz XIVNLCQGJACNPA-GDNBJRDFSA-N -1 0 417.223 4.854 50 10 HJCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc21 ZINC000007018685 568467792 /nfs/dbraw/zinc/46/77/92/568467792.db2.gz JLYSYYUVKYZZLN-HAHDFKILSA-N -1 0 406.441 4.655 50 10 HJCARM CC(C)C(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004171974 568948335 /nfs/dbraw/zinc/94/83/35/568948335.db2.gz OVHTXSKBEMIRAI-HXUWFJFHSA-N -1 0 407.470 4.834 50 10 HJCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S ZINC000008825354 571122018 /nfs/dbraw/zinc/12/20/18/571122018.db2.gz GPHSHLXMWBKRJT-SFQUDFHCSA-N -1 0 419.499 4.932 50 10 HJCARM CCCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)c2ccccc21 ZINC000005033107 132298954 /nfs/dbraw/zinc/29/89/54/132298954.db2.gz OBVIASREIXQBAC-GHRIWEEISA-N -1 0 419.506 4.732 50 10 HJCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Oc4ccccc4)c3)C2=O)cc1 ZINC000006843782 132319042 /nfs/dbraw/zinc/31/90/42/132319042.db2.gz VTQDACOIJMSJAU-QNGOZBTKSA-N -1 0 414.417 4.994 50 10 HJCARM O=C1c2ccccc2N[C@H](c2cc(Cl)cc(Cl)c2[O-])N1Cc1cccnc1 ZINC000001045541 557156085 /nfs/dbraw/zinc/15/60/85/557156085.db2.gz LGLKTNUYKVRVSB-IBGZPJMESA-N -1 0 400.265 4.861 50 10 HJCARM CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000005859498 557677677 /nfs/dbraw/zinc/67/76/77/557677677.db2.gz QTZKGAGNGPTZCE-FIKOHSHLSA-N -1 0 404.340 4.694 50 10 HJCARM O=C([O-])c1ccccc1N=N[C@@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000008417189 557787520 /nfs/dbraw/zinc/78/75/20/557787520.db2.gz WQGIOSWMNJENAS-SMIQVMJNSA-N -1 0 416.462 4.633 50 10 HJCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013898675 558601043 /nfs/dbraw/zinc/60/10/43/558601043.db2.gz FYWUAFPPSRBUOT-MOSHPQCFSA-N -1 0 422.843 4.520 50 10 HJCARM O=C1/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1cccc2ccccc21 ZINC000013943410 558605398 /nfs/dbraw/zinc/60/53/98/558605398.db2.gz SGXJSZMVNMCGPW-WOJGMQOQSA-N -1 0 408.460 4.859 50 10 HJCARM O=[N+]([O-])c1ccc([O-])c(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)c1 ZINC000019325027 558867675 /nfs/dbraw/zinc/86/76/75/558867675.db2.gz LYJQWKKEMHCPTI-UHFFFAOYSA-N -1 0 403.482 4.707 50 10 HJCARM CCOC(=O)c1c(CC(C)C)csc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100508170 559135983 /nfs/dbraw/zinc/13/59/83/559135983.db2.gz XZOGTBCMDDOXLU-LDADJPATSA-N -1 0 411.527 4.842 50 10 HJCARM CCc1ccc(-c2ccc(/C=C3/SC(=S)N(CCCC(=O)[O-])C3=O)o2)cc1 ZINC000005032709 559231552 /nfs/dbraw/zinc/23/15/52/559231552.db2.gz IEJSHEDGYPKAIT-SFQUDFHCSA-N -1 0 401.509 4.575 50 10 HJCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000100725777 559260141 /nfs/dbraw/zinc/26/01/41/559260141.db2.gz ZMLOFZOUXDPPTJ-HZHRSRAPSA-N -1 0 412.445 4.770 50 10 HJCARM O=C([O-])C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000005214743 560542924 /nfs/dbraw/zinc/54/29/24/560542924.db2.gz VJWNLDSEFPHOHL-HEUOVEHFSA-N -1 0 403.912 4.757 50 10 HJCARM CCc1cccc2c(/C=C3/SC(=S)N(CCCCCC(=O)[O-])C3=O)c[nH]c21 ZINC000097990669 560758504 /nfs/dbraw/zinc/75/85/04/560758504.db2.gz VSCPMWQXCJHKHK-LFIBNONCSA-N -1 0 402.541 4.577 50 10 HJCARM Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000103990910 560846563 /nfs/dbraw/zinc/84/65/63/560846563.db2.gz ZNHVJDBHNDFIIT-XDHOZWIPSA-N -1 0 406.873 4.654 50 10 HJCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O ZINC000038170613 568974518 /nfs/dbraw/zinc/97/45/18/568974518.db2.gz IHQDPRAKUJMXOF-MLPAPPSSSA-N -1 0 421.236 4.604 50 10 HJCARM CCCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000017247421 569276719 /nfs/dbraw/zinc/27/67/19/569276719.db2.gz DYMMTTVQGCODTM-LDADJPATSA-N -1 0 407.470 4.862 50 10 HJCARM CN1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O ZINC000002260499 569325216 /nfs/dbraw/zinc/32/52/16/569325216.db2.gz GWXXWMRANDTPOL-NTUHNPAUSA-N -1 0 405.237 4.504 50 10 HJCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc12 ZINC000004209212 132273065 /nfs/dbraw/zinc/27/30/65/132273065.db2.gz AJTSCCKXHDIXOD-CPNJWEJPSA-N -1 0 420.852 4.558 50 10 HJCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000005024780 132298652 /nfs/dbraw/zinc/29/86/52/132298652.db2.gz OTCLIHGIDCLIND-VULIGXMUSA-N -1 0 419.525 4.713 50 10 HJCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc4ccccc4c3)C2=O)c1 ZINC000009265348 132337999 /nfs/dbraw/zinc/33/79/99/132337999.db2.gz BQJZLULGMNDVLW-KQWNVCNZSA-N -1 0 421.456 4.605 50 10 HJCARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000002753570 557379617 /nfs/dbraw/zinc/37/96/17/557379617.db2.gz KDOMMGRSVFMUFT-UHFFFAOYSA-N -1 0 409.548 4.948 50 10 HJCARM O=C([O-])[C@@H]1Nc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2[C@@H]2C=CC[C@H]21 ZINC000004331718 558263179 /nfs/dbraw/zinc/26/31/79/558263179.db2.gz PREIJVXDCSNASS-SNUQEOBHSA-N -1 0 404.249 4.751 50 10 HJCARM O=C([O-])c1ccccc1C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O ZINC000020494907 558379907 /nfs/dbraw/zinc/37/99/07/558379907.db2.gz CZFQNAAHWLFZGG-HXUWFJFHSA-N -1 0 420.852 4.735 50 10 HJCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=O)cc1C ZINC000004471294 558599342 /nfs/dbraw/zinc/59/93/42/558599342.db2.gz GCEFTTIUEIKKPW-UNOMPAQXSA-N -1 0 406.869 4.987 50 10 in-vivo HJCARM COc1cc(C=C2C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccccc1 ZINC000004699555 558907379 /nfs/dbraw/zinc/90/73/79/558907379.db2.gz ZLIZTGNQLJNTKJ-ZHZULCJRSA-N -1 0 400.434 4.576 50 10 HJCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000033351124 559066890 /nfs/dbraw/zinc/06/68/90/559066890.db2.gz CBXOHSKAYOMVEB-UDWIEESQSA-N -1 0 421.403 4.879 50 10 HJCARM COc1cc([N+](=O)[O-])c(Cl)cc1N=Cc1c(C)[n-]n(-c2cccc(Cl)c2)c1=O ZINC000100087721 559127052 /nfs/dbraw/zinc/12/70/52/559127052.db2.gz WWBOCZNMHVYQBA-LCYFTJDESA-N -1 0 421.240 4.629 50 10 HJCARM O=C([O-])[C@H]1Nc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2[C@@H]2C=CC[C@@H]21 ZINC000002587039 560731189 /nfs/dbraw/zinc/73/11/89/560731189.db2.gz PREIJVXDCSNASS-VBHSOAQHSA-N -1 0 404.249 4.751 50 10 HJCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000000978022 568760004 /nfs/dbraw/zinc/76/00/04/568760004.db2.gz GYQIRCYVGHOEPR-QIYXJHPLSA-N -1 0 419.527 4.737 50 10 aggregator HJCARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)OC(C)C)C1 ZINC000239377579 569054241 /nfs/dbraw/zinc/05/42/41/569054241.db2.gz OCIKZZVAZLUVMG-RBSFLKMASA-N -1 0 421.559 4.658 50 10 HJCARM O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000239321925 569232819 /nfs/dbraw/zinc/23/28/19/569232819.db2.gz IXGVBQGFTCJTJG-YBVJTHMASA-N -1 0 414.461 5.187 50 10 HJCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002213349 132249581 /nfs/dbraw/zinc/24/95/81/132249581.db2.gz WMOQBRXGASKQIG-GZTJUZNOSA-N -1 0 421.340 4.501 50 10 HJCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(Oc2ccccc2)c1 ZINC000004209221 132273072 /nfs/dbraw/zinc/27/30/72/132273072.db2.gz NGINYNIDBPCKCW-XSFVSMFZSA-N -1 0 418.836 4.799 50 10 HJCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2Sc2ccccc2)C1=O ZINC000006479471 132311149 /nfs/dbraw/zinc/31/11/49/132311149.db2.gz FZLYISOXUHQWCP-CYVLTUHYSA-N -1 0 414.486 4.813 50 10 HJCARM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C2=O)c1 ZINC000009164768 132336877 /nfs/dbraw/zinc/33/68/77/132336877.db2.gz DBPGPVGGBOATJV-UYRXBGFRSA-N -1 0 420.396 4.991 50 10 HJCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000004747574 557592119 /nfs/dbraw/zinc/59/21/19/557592119.db2.gz XORUVTKTHXDEIZ-GULXKOIASA-N -1 0 407.900 4.664 50 10 HJCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCCCC2 ZINC000002765237 557756564 /nfs/dbraw/zinc/75/65/64/557756564.db2.gz INLYLINKPDKDEZ-HUUCEWRRSA-N -1 0 419.543 4.579 50 10 HJCARM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000008396441 557785890 /nfs/dbraw/zinc/78/58/90/557785890.db2.gz DDHQZBSPQJJTFK-WOJGMQOQSA-N -1 0 422.824 4.704 50 10 HJCARM O=C([O-])c1cc(Br)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000015226295 558728750 /nfs/dbraw/zinc/72/87/50/558728750.db2.gz UEZDFUOHJKCJQX-JJRVBVJISA-N -1 0 415.243 4.882 50 10 HJCARM COc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(Br)cc1 ZINC000001053952 558775056 /nfs/dbraw/zinc/77/50/56/558775056.db2.gz GCBFIGSJIVQLGN-UHFFFAOYSA-N -1 0 400.272 4.933 50 10 HJCARM CCc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=O)cc1 ZINC000004802442 559067514 /nfs/dbraw/zinc/06/75/14/559067514.db2.gz CUQHZBANAWNMLN-UYRXBGFRSA-N -1 0 406.869 4.932 50 10 HJCARM CCOC(=O)c1c2c(sc1N=Cc1c(C)[n-]n(-c3ccccc3)c1=O)CCCCC2 ZINC000100885199 560761939 /nfs/dbraw/zinc/76/19/39/560761939.db2.gz JLZCLJZLBAMYKS-JXAWBTAJSA-N -1 0 423.538 4.912 50 10 HJCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2Sc2ccccc2)C1=O ZINC000003363444 560888242 /nfs/dbraw/zinc/88/82/42/560888242.db2.gz FZLYISOXUHQWCP-XDJHFCHBSA-N -1 0 414.486 4.813 50 10 HJCARM CCN(C)c1ccc(C=C2C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000035213658 569013011 /nfs/dbraw/zinc/01/30/11/569013011.db2.gz QNENGVLZCZIQBH-HKWRFOASSA-N -1 0 415.518 4.968 50 10 HJCARM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C(=O)[N-]C2=S)c1 ZINC000008742818 132332985 /nfs/dbraw/zinc/33/29/85/132332985.db2.gz YNQIMWDSIUPEFL-PDGQHHTCSA-N -1 0 406.438 4.637 50 10 HJCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000001916901 557296564 /nfs/dbraw/zinc/29/65/64/557296564.db2.gz PHARQFMHEBRBHX-MDWZMJQESA-N -1 0 404.340 4.840 50 10 HJCARM CC(=C\c1ccccc1)/C=C1\SC(=S)N([C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000004077012 557509895 /nfs/dbraw/zinc/50/98/95/557509895.db2.gz LDZQUNCQSFRUPO-IBOJSVHSSA-N -1 0 409.532 4.530 50 10 HJCARM CCCOC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000002801773 557762881 /nfs/dbraw/zinc/76/28/81/557762881.db2.gz SBKAVKFUPLSCTI-JKSUJKDBSA-N -1 0 419.543 4.579 50 10 HJCARM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3cccc(Cl)c3n2)SC1=S ZINC000013719268 558580782 /nfs/dbraw/zinc/58/07/82/558580782.db2.gz YSMSNURKAJQZML-GWQWUEFDSA-N -1 0 420.943 4.733 50 10 HJCARM CCCN(CCC)c1ccc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1 ZINC000004812647 559069536 /nfs/dbraw/zinc/06/95/36/559069536.db2.gz DGBAKXHHIDQNCK-JCMHNJIXSA-N -1 0 405.498 4.817 50 10 HJCARM COc1ccc(N=C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2ccccc2)c(OC)c1 ZINC000100510023 560725459 /nfs/dbraw/zinc/72/54/59/560725459.db2.gz YWTBZZFYOYZOJI-VHXPQNKSSA-N -1 0 413.477 4.950 50 10 HJCARM Cc1ccc(N2[N-]C(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1Cl ZINC000000647728 568457392 /nfs/dbraw/zinc/45/73/92/568457392.db2.gz ISJNOJWSYKFEGG-DEDYPNTBSA-N -1 0 418.880 4.689 50 10 HJCARM Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C1=NN[C@@H](c2c(F)cccc2Cl)C1 ZINC000012389710 568692478 /nfs/dbraw/zinc/69/24/78/568692478.db2.gz GGHISRKTUXYPEV-OAHLLOKOSA-N -1 0 400.837 4.655 50 10 HJCARM CC(=O)c1sc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)nc1-c1ccccc1 ZINC000012785032 568959598 /nfs/dbraw/zinc/95/95/98/568959598.db2.gz FQDSMZDYJPIKRW-UHFFFAOYSA-N -1 0 400.525 4.937 50 10 HJCARM Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)o1 ZINC000015722900 568977748 /nfs/dbraw/zinc/97/77/48/568977748.db2.gz BVJNGWZNCPYMFE-PDGQHHTCSA-N -1 0 417.377 4.670 50 10 HJCARM Cc1cccc(N2[N-]C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C2=O)c1 ZINC000006924259 569182750 /nfs/dbraw/zinc/18/27/50/569182750.db2.gz LMDRFKGWKFFAAC-PDGQHHTCSA-N -1 0 412.367 4.735 50 10 HJCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1C1CCCC1 ZINC000004739649 132286592 /nfs/dbraw/zinc/28/65/92/132286592.db2.gz LAFIENBHDFNOGX-MOSHPQCFSA-N -1 0 421.566 4.668 50 10 HJCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cnc(-c4ccccc4)nc3)C2=O)cc1 ZINC000006263193 132310046 /nfs/dbraw/zinc/31/00/46/132310046.db2.gz AGXWWAUSOBQQID-NDENLUEZSA-N -1 0 412.449 4.774 50 10 HJCARM CCOc1ccc(N2C(=O)C(=Cc3cn(CC)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000009089793 132335728 /nfs/dbraw/zinc/33/57/28/132335728.db2.gz IAIGXHSPRIPTCO-CPNJWEJPSA-N -1 0 419.506 4.732 50 10 HJCARM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4)o3)C(=O)[N-]C2=S)cc1Cl ZINC000009263226 132337804 /nfs/dbraw/zinc/33/78/04/132337804.db2.gz YYELPRIVNMLCRM-ATVHPVEESA-N -1 0 422.893 4.740 50 10 HJCARM CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000032933586 520892277 /nfs/dbraw/zinc/89/22/77/520892277.db2.gz SFSDWADAZQOLIY-PDGQHHTCSA-N -1 0 403.394 4.675 50 10 HJCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)C2=O)cc1 ZINC000009076058 536184100 /nfs/dbraw/zinc/18/41/00/536184100.db2.gz GXMYHVRCCHZRJQ-AQTBWJFISA-N -1 0 420.852 4.829 50 10 HJCARM CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCCCC2 ZINC000002772070 557760670 /nfs/dbraw/zinc/76/06/70/557760670.db2.gz SIXQTILVKGYZMI-GJZGRUSLSA-N -1 0 421.559 4.803 50 10 HJCARM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000008430295 557788165 /nfs/dbraw/zinc/78/81/65/557788165.db2.gz STKYVYSRLXHKKI-WOJGMQOQSA-N -1 0 422.824 4.704 50 10 HJCARM O=C([O-])[C@@H]1Nc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2[C@@H]2C=CC[C@@H]21 ZINC000004331715 558263165 /nfs/dbraw/zinc/26/31/65/558263165.db2.gz PREIJVXDCSNASS-FHSNZYRGSA-N -1 0 404.249 4.751 50 10 HJCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000013343704 558530249 /nfs/dbraw/zinc/53/02/49/558530249.db2.gz WQVCLZAUFRUGJG-AWNIVKPZSA-N -1 0 414.291 4.539 50 10 HJCARM O=C([O-])[C@H]1Nc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2[C@@H]2C=CC[C@H]21 ZINC000013661332 558559697 /nfs/dbraw/zinc/55/96/97/558559697.db2.gz PREIJVXDCSNASS-VFVRVIDISA-N -1 0 404.249 4.751 50 10 HJCARM O=C([O-])c1cc(Br)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000015226290 558728754 /nfs/dbraw/zinc/72/87/54/558728754.db2.gz UEZDFUOHJKCJQX-JKIFEVAISA-N -1 0 415.243 4.882 50 10 HJCARM CC(C)n1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000017209092 558825828 /nfs/dbraw/zinc/82/58/28/558825828.db2.gz PPAONIPTQAXLMD-WQRHYEAKSA-N -1 0 407.857 4.746 50 10 HJCARM CCN(CC)P(=N/N=N/C(=O)c1ccccc1[O-])(N(CC)CC)N(CC)CC ZINC000004728168 558985079 /nfs/dbraw/zinc/98/50/79/558985079.db2.gz ZBYVLNWWQZUTLI-QZQOTICOSA-N -1 0 410.503 4.871 50 10 HJCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000004747568 559046030 /nfs/dbraw/zinc/04/60/30/559046030.db2.gz MVKCPUZUBYPSCV-NCPSJORJSA-N -1 0 407.900 4.664 50 10 HJCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(C)cc1 ZINC000100525270 559136170 /nfs/dbraw/zinc/13/61/70/559136170.db2.gz QWHWPYOLYPFAKL-KGNHYALCSA-N -1 0 420.454 4.902 50 10 HJCARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000005443053 560626221 /nfs/dbraw/zinc/62/62/21/560626221.db2.gz JQICXWZUARWKMA-CIAFOILYSA-N -1 0 420.900 4.963 50 10 HJCARM CCOc1ccc(-n2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000020210231 568594358 /nfs/dbraw/zinc/59/43/58/568594358.db2.gz OZTVSMMDVZFSNK-ZHZULCJRSA-N -1 0 419.412 4.522 50 10 HJCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000006995711 569197090 /nfs/dbraw/zinc/19/70/90/569197090.db2.gz QEDDISJIXNSGJM-UDWIEESQSA-N -1 0 420.900 4.963 50 10 HJCARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000002826035 569320604 /nfs/dbraw/zinc/32/06/04/569320604.db2.gz QTZKGAGNGPTZCE-CHDKLRHSSA-N -1 0 404.340 4.694 50 10 HJCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCCC3)cc2)C1=O ZINC000009245604 132337538 /nfs/dbraw/zinc/33/75/38/132337538.db2.gz BAFZPVVGTWOELF-SILNSSARSA-N -1 0 403.482 4.882 50 10 HJCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)Cc3ccccc3-4)C2=O)cc1 ZINC000009300470 132338203 /nfs/dbraw/zinc/33/82/03/132338203.db2.gz KSHSOTIGNQVPKN-XKZIYDEJSA-N -1 0 410.429 4.773 50 10 HJCARM CCCCN1CCc2cc(C=C3C(=O)[N-]C(=S)N(c4ccccc4)C3=O)ccc21 ZINC000002604752 535275222 /nfs/dbraw/zinc/27/52/22/535275222.db2.gz ZNYAWUSSSUMYKI-XDJHFCHBSA-N -1 0 405.523 4.521 50 10 HJCARM CC(C)(C)N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000008738028 557803285 /nfs/dbraw/zinc/80/32/85/557803285.db2.gz ZXNDXWDHJISWPK-UYRXBGFRSA-N -1 0 401.466 4.790 50 10 HJCARM O=C([O-])c1ccccc1C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O ZINC000020494910 558379884 /nfs/dbraw/zinc/37/98/84/558379884.db2.gz CZFQNAAHWLFZGG-FQEVSTJZSA-N -1 0 420.852 4.735 50 10 HJCARM O=C([O-])c1cc(Br)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000015226294 558728707 /nfs/dbraw/zinc/72/87/07/558728707.db2.gz UEZDFUOHJKCJQX-CKEIUWERSA-N -1 0 415.243 4.882 50 10 HJCARM O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1cc(-c2cccs2)nc2ccccc21 ZINC000034864581 558785890 /nfs/dbraw/zinc/78/58/90/558785890.db2.gz DCUMYJCKFBOFFC-UHFFFAOYSA-N -1 0 405.435 4.507 50 10 HJCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000097402262 559118352 /nfs/dbraw/zinc/11/83/52/559118352.db2.gz QEDDISJIXNSGJM-NDENLUEZSA-N -1 0 420.900 4.963 50 10 HJCARM Cc1ccc(C2=NN[C@@H](c3cc(Br)cc(Br)c3[O-])C2)cc1 ZINC000005546098 560607636 /nfs/dbraw/zinc/60/76/36/560607636.db2.gz BTBGYDXXJQUSMY-OAHLLOKOSA-N -1 0 410.109 4.664 50 10 HJCARM COc1cc([N+](=O)[O-])c(Cl)cc1N=Cc1c(C)[n-]n(-c2cccc(Cl)c2)c1=O ZINC000101124944 560788209 /nfs/dbraw/zinc/78/82/09/560788209.db2.gz WWBOCZNMHVYQBA-UKTHLTGXSA-N -1 0 421.240 4.629 50 10 HJCARM COc1cccc2c1O[C@@H](CCSC)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21 ZINC000103562945 560843287 /nfs/dbraw/zinc/84/32/87/560843287.db2.gz URJKMDOWLHJHCP-LPHOPBHVSA-N -1 0 404.919 4.677 50 10 HJCARM O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000000669304 568460425 /nfs/dbraw/zinc/46/04/25/568460425.db2.gz BRKPIYXJDNCOEP-GDNBJRDFSA-N -1 0 417.223 4.854 50 10 HJCARM Cc1sc([N-]S(=O)(=O)c2ccc(Br)cc2)nc1-c1ccccc1 ZINC000000668158 568460503 /nfs/dbraw/zinc/46/05/03/568460503.db2.gz ABMBOFBRWQCZPY-UHFFFAOYSA-N -1 0 409.330 4.682 50 10 HJCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(F)cc3)SC2=S)c1 ZINC000020210273 568594473 /nfs/dbraw/zinc/59/44/73/568594473.db2.gz KBFDUDIYSTXRHM-PDGQHHTCSA-N -1 0 424.478 4.720 50 10 HJCARM O=c1[nH]n(C2CCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3ccc(O)cc3)c12 ZINC000095472791 568628116 /nfs/dbraw/zinc/62/81/16/568628116.db2.gz YLOROWCDIMONKG-UHFFFAOYSA-N -1 0 417.421 4.935 50 10 HJCARM Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000096572605 568761359 /nfs/dbraw/zinc/76/13/59/568761359.db2.gz PMBBFTGZCZSYSN-UDWIEESQSA-N -1 0 406.873 4.654 50 10 HJCARM CCCC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000001158241 568775250 /nfs/dbraw/zinc/77/52/50/568775250.db2.gz VZEFETGISLDNBK-NRFANRHFSA-N -1 0 407.470 4.978 50 10 HJCARM O=S(=O)([N-]c1nc(-c2ccccc2Cl)cs1)c1cccc2cccnc21 ZINC000028226779 568782700 /nfs/dbraw/zinc/78/27/00/568782700.db2.gz QHYUXKBVCCWYFA-UHFFFAOYSA-N -1 0 401.900 4.813 50 10 HJCARM CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc1 ZINC000004182156 568928085 /nfs/dbraw/zinc/92/80/85/568928085.db2.gz NJEMJYKEOFGEEM-PDGQHHTCSA-N -1 0 411.889 4.691 50 10 HJCARM COc1ccc(-c2cc(=O)oc3c(C)c(OCc4ccc(C(=O)[O-])o4)ccc23)cc1 ZINC000036369984 569153733 /nfs/dbraw/zinc/15/37/33/569153733.db2.gz DRQAFOAAGLOFAI-UHFFFAOYSA-N -1 0 406.390 4.647 50 10 biogenic HJCARM CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000002381740 569320531 /nfs/dbraw/zinc/32/05/31/569320531.db2.gz QTZKGAGNGPTZCE-UHJIQDEKSA-N -1 0 404.340 4.694 50 10 HJCARM O=C([O-])CCc1ccc(-c2ccccc2)n1CC(=O)Nc1ccccc1C(F)(F)F ZINC000008612591 571095064 /nfs/dbraw/zinc/09/50/64/571095064.db2.gz NFTRNOMDZLWOQJ-UHFFFAOYSA-N -1 0 416.399 4.830 50 10 HJCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C(C)C ZINC000012464552 132361016 /nfs/dbraw/zinc/36/10/16/132361016.db2.gz VUQKVESYGRULNK-NTEUORMPSA-N -1 0 420.296 4.659 50 10 HJCARM CCCCC(=O)N[C@@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002815030 557394909 /nfs/dbraw/zinc/39/49/09/557394909.db2.gz HIWLPHWNQGEALE-HYSAVQALSA-N -1 0 405.454 4.910 50 10 HJCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000013686532 558569927 /nfs/dbraw/zinc/56/99/27/558569927.db2.gz KTJYMAUETRCRIG-NDENLUEZSA-N -1 0 417.465 4.806 50 10 HJCARM O=C([O-])c1cc(Br)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000015226292 558728743 /nfs/dbraw/zinc/72/87/43/558728743.db2.gz UEZDFUOHJKCJQX-GRDNDAEWSA-N -1 0 415.243 4.882 50 10 HJCARM O=C([O-])c1ccccc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000013614550 558847508 /nfs/dbraw/zinc/84/75/08/558847508.db2.gz DVMVUFZRIJUMEG-ZSOIEALJSA-N -1 0 409.410 4.809 50 10 HJCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000033347536 559065158 /nfs/dbraw/zinc/06/51/58/559065158.db2.gz MXPCDYLLRWGCBS-WQRHYEAKSA-N -1 0 422.824 4.704 50 10 HJCARM O=c1c(C=Nc2cccc(Cl)c2)c(C(F)(F)F)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000100399636 559134831 /nfs/dbraw/zinc/13/48/31/559134831.db2.gz GYCUEVWLSRNGMQ-NTEUORMPSA-N -1 0 410.739 4.509 50 10 HJCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(F)cc1 ZINC000100506108 559135917 /nfs/dbraw/zinc/13/59/17/559135917.db2.gz MIZNEWGKYAMVQM-DUPNKOKHSA-N -1 0 424.417 4.732 50 10 HJCARM CCCCCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000096663450 560560143 /nfs/dbraw/zinc/56/01/43/560560143.db2.gz GEPIBMBSVZNEFE-SAPNQHFASA-N -1 0 407.557 4.712 50 10 HJCARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000096572624 568761336 /nfs/dbraw/zinc/76/13/36/568761336.db2.gz MWADWKMBLUSMDP-UDWIEESQSA-N -1 0 420.900 4.963 50 10 HJCARM CCOC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1O ZINC000003639338 568865083 /nfs/dbraw/zinc/86/50/83/568865083.db2.gz WYINEJSMCAIBRH-UHFFFAOYSA-N -1 0 413.857 4.697 50 10 HJCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(C)cc1 ZINC000252626104 569310261 /nfs/dbraw/zinc/31/02/61/569310261.db2.gz QWHWPYOLYPFAKL-SFHVURJKSA-N -1 0 420.454 4.902 50 10 HJCARM C[C@@H]1CCCN(c2cc(NCCCC(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000002457285 132254831 /nfs/dbraw/zinc/25/48/31/132254831.db2.gz AOCIWIKUPLIYPA-CQSZACIVSA-N -1 0 419.481 4.552 50 10 HJCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4)o3)C2=O)cc1Cl ZINC000004473628 132277503 /nfs/dbraw/zinc/27/75/03/132277503.db2.gz XGUWLMINFMVXNV-ATVHPVEESA-N -1 0 406.825 4.575 50 10 HJCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1cccc(OCc2ccccc2)c1 ZINC000033313634 132787011 /nfs/dbraw/zinc/78/70/11/132787011.db2.gz SMBFPXUQQMPNOG-QNGOZBTKSA-N -1 0 414.486 4.937 50 10 HJCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1 ZINC000033342700 132789060 /nfs/dbraw/zinc/78/90/60/132789060.db2.gz IYTFLVDIBMQATD-MOSHPQCFSA-N -1 0 421.497 4.665 50 10 HJCARM CCCCN1CCc2cc(C=C3C(=O)[N-]C(=S)N(c4cccc(C)c4)C3=O)ccc21 ZINC000005100517 535275407 /nfs/dbraw/zinc/27/54/07/535275407.db2.gz PCILAYSIDNTHNW-HMMYKYKNSA-N -1 0 419.550 4.829 50 10 HJCARM CCCCN1CCc2cc(C=C3C(=O)[N-]C(=S)N(c4ccc(C)cc4)C3=O)ccc21 ZINC000002375368 535276141 /nfs/dbraw/zinc/27/61/41/535276141.db2.gz HKDURSBMIKYMPE-HMMYKYKNSA-N -1 0 419.550 4.829 50 10 HJCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 ZINC000009427775 536184244 /nfs/dbraw/zinc/18/42/44/536184244.db2.gz FMAZQFFSLVAUBJ-UYRXBGFRSA-N -1 0 420.852 4.829 50 10 HJCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000010232878 557257472 /nfs/dbraw/zinc/25/74/72/557257472.db2.gz AQEYESZBGLCPIU-GRRFOWRYSA-N -1 0 407.900 4.664 50 10 HJCARM CCOc1cc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)ccc1OC ZINC000002977138 557433469 /nfs/dbraw/zinc/43/34/69/557433469.db2.gz PLRFBBRMHMMKRH-JOCHJYFZSA-N -1 0 401.466 4.944 50 10 HJCARM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000014011328 558613512 /nfs/dbraw/zinc/61/35/12/558613512.db2.gz SWACCBANPOOSCH-FOKLQQMPSA-N -1 0 415.537 4.742 50 10 HJCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S ZINC000027533919 558674640 /nfs/dbraw/zinc/67/46/40/558674640.db2.gz GYQIRCYVGHOEPR-XPFMCRKWSA-N -1 0 419.527 4.737 50 10 HJCARM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000033333175 559063230 /nfs/dbraw/zinc/06/32/30/559063230.db2.gz DDHQZBSPQJJTFK-WQRHYEAKSA-N -1 0 422.824 4.704 50 10 HJCARM CCn1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C ZINC000033334437 559063518 /nfs/dbraw/zinc/06/35/18/559063518.db2.gz CWCZHZOOHUUBNO-SXGWCWSVSA-N -1 0 401.919 4.758 50 10 HJCARM COc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)[O-])c2)N=C1C ZINC000004853188 559191631 /nfs/dbraw/zinc/19/16/31/559191631.db2.gz UCUFBCHCPDAEHF-ZSOIEALJSA-N -1 0 405.237 4.506 50 10 HJCARM O=S(=O)([N-]c1nc(-c2ccc(F)cc2)cs1)c1cccc(Br)c1 ZINC000001514374 560728505 /nfs/dbraw/zinc/72/85/05/560728505.db2.gz PJYPTEYILHCTOR-UHFFFAOYSA-N -1 0 413.293 4.513 50 10 HJCARM CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(C(=O)[O-])c1 ZINC000104852167 560855224 /nfs/dbraw/zinc/85/52/24/560855224.db2.gz GJBAOBVYYWQMNY-KGENOOAVSA-N -1 0 412.445 4.770 50 10 HJCARM Cc1ccc([C@H](NC(=O)C2CCCCC2)c2cc([N+](=O)[O-])c3cccnc3c2[O-])cc1 ZINC000020032778 568586454 /nfs/dbraw/zinc/58/64/54/568586454.db2.gz CGGXCXPHBSJAAN-NRFANRHFSA-N -1 0 419.481 4.943 50 10 HJCARM O=c1[nH]n(C2CCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3cccc(O)c3)c12 ZINC000095480197 568633218 /nfs/dbraw/zinc/63/32/18/568633218.db2.gz QCFINRQXJWWRGK-UHFFFAOYSA-N -1 0 417.421 4.935 50 10 HJCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000000871800 568730363 /nfs/dbraw/zinc/73/03/63/568730363.db2.gz OEADRPRJNCGXTH-DAYGRLMNSA-N -1 0 417.246 4.816 50 10 HJCARM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000001192356 568930457 /nfs/dbraw/zinc/93/04/57/568930457.db2.gz LWBBXNKSWPEKPF-BKUYFWCQSA-N -1 0 414.509 4.926 50 10 HJCARM CCCCCCc1c(C)c2ccc([O-])c(C[NH2+][C@H](CC(C)C)C(=O)[O-])c2oc1=O ZINC000035686312 569050674 /nfs/dbraw/zinc/05/06/74/569050674.db2.gz OOSUVHAVUXECOP-LJQANCHMSA-N -1 0 403.519 4.519 50 10 HJCARM COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)Cc3ccccc3-4)C2=O)cc1 ZINC000009046243 571215672 /nfs/dbraw/zinc/21/56/72/571215672.db2.gz YJBOATINFKTMJI-QRVIBDJDSA-N -1 0 424.456 4.769 50 10 HJCARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S ZINC000010232919 571297518 /nfs/dbraw/zinc/29/75/18/571297518.db2.gz HHQBOTMFWFHPJF-ADFUCPMPSA-N -1 0 419.499 4.786 50 10 HJCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(N2CCCCCC2)cc1 ZINC000002423693 132254482 /nfs/dbraw/zinc/25/44/82/132254482.db2.gz PDCYCBGUYLOKRU-OBGWFSINSA-N -1 0 423.513 4.878 50 10 HJCARM CCCn1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 ZINC000005100963 132301642 /nfs/dbraw/zinc/30/16/42/132301642.db2.gz QAHDDVPWOIDADT-DEDYPNTBSA-N -1 0 401.466 4.539 50 10 HJCARM COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O ZINC000033414482 536982215 /nfs/dbraw/zinc/98/22/15/536982215.db2.gz URVWHSWBVUMJHG-WQLSENKSSA-N -1 0 424.762 4.874 50 10 HJCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000001916903 557296459 /nfs/dbraw/zinc/29/64/59/557296459.db2.gz PHARQFMHEBRBHX-JYRVWZFOSA-N -1 0 404.340 4.840 50 10 HJCARM O=C([O-])[C@H](CC(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000004145950 557520100 /nfs/dbraw/zinc/52/01/00/557520100.db2.gz XMSLTHISAKVCBH-FQEVSTJZSA-N -1 0 407.853 4.709 50 10 HJCARM O=C([O-])c1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000004450531 557555573 /nfs/dbraw/zinc/55/55/73/557555573.db2.gz HUQNLMOVZHOLQY-IBGZPJMESA-N -1 0 405.841 4.889 50 10 HJCARM Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1C ZINC000004903905 557611581 /nfs/dbraw/zinc/61/15/81/557611581.db2.gz SHFYIKDSJKJABT-QNGOZBTKSA-N -1 0 408.461 4.846 50 10 HJCARM Cc1cc(C(=O)COc2ccc(CC(=O)[O-])cc2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000012634090 558442597 /nfs/dbraw/zinc/44/25/97/558442597.db2.gz UQRISZDXYJZFNP-UHFFFAOYSA-N -1 0 415.848 4.775 50 10 HJCARM COc1ccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2cccs2)cc1Cl ZINC000013842795 558597142 /nfs/dbraw/zinc/59/71/42/558597142.db2.gz LQCKARCVQZQHHO-UHFFFAOYSA-N -1 0 418.902 4.535 50 10 HJCARM Cc1ccccc1COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000013892908 558599891 /nfs/dbraw/zinc/59/98/91/558599891.db2.gz XKMHTTVJXNITFH-STZFKDTASA-N -1 0 418.880 4.689 50 10 HJCARM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000033347534 559065228 /nfs/dbraw/zinc/06/52/28/559065228.db2.gz STKYVYSRLXHKKI-WQRHYEAKSA-N -1 0 422.824 4.704 50 10 HJCARM CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000100223725 559132506 /nfs/dbraw/zinc/13/25/06/559132506.db2.gz VCMQJKNKSZPWDE-PXLXIMEGSA-N -1 0 412.445 4.770 50 10 HJCARM O=C([O-])C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000005214740 560542914 /nfs/dbraw/zinc/54/29/14/560542914.db2.gz NRHSSNNUTAQMQT-CCAPLTMGSA-N -1 0 403.912 4.757 50 10 HJCARM CCOC(=O)c1c(CC(C)C)csc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000101395380 560794226 /nfs/dbraw/zinc/79/42/26/560794226.db2.gz XZOGTBCMDDOXLU-PDGQHHTCSA-N -1 0 411.527 4.842 50 10 HJCARM O=C(N[C@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-])C1CCCCC1 ZINC000020032755 568586475 /nfs/dbraw/zinc/58/64/75/568586475.db2.gz ZVBXVURVEYIRNO-HXUWFJFHSA-N -1 0 405.454 4.635 50 10 HJCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(SCc2ccco2)o1 ZINC000020238586 568595717 /nfs/dbraw/zinc/59/57/17/568595717.db2.gz LVERQAWYMKRIRQ-BOPFTXTBSA-N -1 0 408.435 4.667 50 10 HJCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(F)c(F)c1 ZINC000095477230 568630983 /nfs/dbraw/zinc/63/09/83/568630983.db2.gz NLCSWSQUBSWXDS-UHFFFAOYSA-N -1 0 411.364 4.974 50 10 HJCARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)OC(C)C)C1 ZINC000005953979 568832230 /nfs/dbraw/zinc/83/22/30/568832230.db2.gz OCIKZZVAZLUVMG-KFWWJZLASA-N -1 0 421.559 4.658 50 10 HJCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O ZINC000038168342 568974157 /nfs/dbraw/zinc/97/41/57/568974157.db2.gz DISXPUINSCGKJX-GHXNOFRVSA-N -1 0 421.236 4.604 50 10 HJCARM O=C([N-]N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)c1ccccc1F ZINC000001465903 568990895 /nfs/dbraw/zinc/99/08/95/568990895.db2.gz UHZYIXLSKKQGTH-PDGQHHTCSA-N -1 0 408.479 4.525 50 10 HJCARM O=C([O-])c1cc(N2N=C(C(F)(F)F)/C(=C/C=C/c3ccco3)C2=O)ccc1Cl ZINC000008445238 569003725 /nfs/dbraw/zinc/00/37/25/569003725.db2.gz SOXPXFNHPPANGT-AVFBQEPNSA-N -1 0 410.735 4.536 50 10 HJCARM COc1ccc(C2=N[C@@H](c3ccc(OC)c(OC)c3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053362916 569027455 /nfs/dbraw/zinc/02/74/55/569027455.db2.gz QGZVHQOOHACNRI-PXDATVDWSA-N -1 0 418.493 4.641 50 10 HJCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000001806837 569053495 /nfs/dbraw/zinc/05/34/95/569053495.db2.gz GYQIRCYVGHOEPR-HZQOKBKYSA-N -1 0 419.527 4.737 50 10 aggregator HJCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S ZINC000054360596 569072180 /nfs/dbraw/zinc/07/21/80/569072180.db2.gz LFJCUSUUDNNXSL-KWZJRMENSA-N -1 0 405.472 4.540 50 10 HJCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(C)cc1 ZINC000252626103 569310293 /nfs/dbraw/zinc/31/02/93/569310293.db2.gz QWHWPYOLYPFAKL-GOSISDBHSA-N -1 0 420.454 4.902 50 10 HJCARM O=C([O-])c1ccccc1N=N[C@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000252634664 569316882 /nfs/dbraw/zinc/31/68/82/569316882.db2.gz WQGIOSWMNJENAS-LJQANCHMSA-N -1 0 416.462 4.633 50 10 HJCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008737884 571109871 /nfs/dbraw/zinc/10/98/71/571109871.db2.gz WMOQBRXGASKQIG-BOPFTXTBSA-N -1 0 421.340 4.501 50 10 HJCARM O=C(Oc1ccc(C=C2C(=O)[N-]N(c3ccccc3)C2=O)cc1)c1ccccc1Cl ZINC000009805779 571285949 /nfs/dbraw/zinc/28/59/49/571285949.db2.gz VWQWHMUCHXLLOR-RGEXLXHISA-N -1 0 418.836 4.861 50 10 HJCARM Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)[N-]C2=S)c1C ZINC000001185795 132241040 /nfs/dbraw/zinc/24/10/40/132241040.db2.gz QOHQQCLCWXVAEN-LDADJPATSA-N -1 0 420.465 4.534 50 10 HJCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cnc(-c4ccccc4)nc3)C2=O)cc1 ZINC000001261857 132243283 /nfs/dbraw/zinc/24/32/83/132243283.db2.gz AGXWWAUSOBQQID-UDWIEESQSA-N -1 0 412.449 4.774 50 10 HJCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1C1CCCCC1 ZINC000004503126 132277673 /nfs/dbraw/zinc/27/76/73/132277673.db2.gz JUTAAMKKSYKGBX-STZFKDTASA-N -1 0 421.566 4.750 50 10 HJCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000000686938 557058880 /nfs/dbraw/zinc/05/88/80/557058880.db2.gz XKUJYLVQVCUMFI-VZUCSPMQSA-N -1 0 402.064 4.762 50 10 HJCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 ZINC000000966813 557127325 /nfs/dbraw/zinc/12/73/25/557127325.db2.gz CODGPSBKOVDAHN-ZROIWOOFSA-N -1 0 420.309 4.553 50 10 HJCARM CCCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000013512520 558535879 /nfs/dbraw/zinc/53/58/79/558535879.db2.gz NSPQVZRXLPDSOU-LDADJPATSA-N -1 0 423.925 4.536 50 10 HJCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1F ZINC000013893622 558600153 /nfs/dbraw/zinc/60/01/53/558600153.db2.gz SIQDWLYZSVTTHE-UYRXBGFRSA-N -1 0 422.843 4.520 50 10 HJCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c1 ZINC000016213505 558778780 /nfs/dbraw/zinc/77/87/80/558778780.db2.gz ATUXBULWUSPHHD-RIYZIHGNSA-N -1 0 420.309 4.553 50 10 HJCARM CCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21 ZINC000033349008 559065299 /nfs/dbraw/zinc/06/52/99/559065299.db2.gz VFIDUZVEDJFMQX-PDGQHHTCSA-N -1 0 403.507 4.950 50 10 HJCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc(Br)cc2cccnc21 ZINC000100943108 560763572 /nfs/dbraw/zinc/76/35/72/560763572.db2.gz ZRABDBKFLXJLTI-ATVHPVEESA-N -1 0 407.271 4.716 50 10 HJCARM Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C1=NN[C@H](c2c(F)cccc2Cl)C1 ZINC000012389711 568692460 /nfs/dbraw/zinc/69/24/60/568692460.db2.gz GGHISRKTUXYPEV-HNNXBMFYSA-N -1 0 400.837 4.655 50 10 HJCARM CCCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002998931 568836703 /nfs/dbraw/zinc/83/67/03/568836703.db2.gz UJVKVMVMEOBSPC-LJQANCHMSA-N -1 0 413.861 4.898 50 10 HJCARM CN(C)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)cc1 ZINC000003634715 568865408 /nfs/dbraw/zinc/86/54/08/568865408.db2.gz SOMFVEOYCTXOMK-UHFFFAOYSA-N -1 0 413.315 4.990 50 10 HJCARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2cccc(F)c2)cc1 ZINC000001510909 569007689 /nfs/dbraw/zinc/00/76/89/569007689.db2.gz AQOJCJPMPZIWRA-UHFFFAOYSA-N -1 0 403.862 4.819 50 10 HJCARM CCOc1ccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2ccc(C)cc2)cc1 ZINC000006811738 569136174 /nfs/dbraw/zinc/13/61/74/569136174.db2.gz SAJSVGZUHUHGGG-UHFFFAOYSA-N -1 0 406.482 4.518 50 10 HJCARM O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000006997626 569197249 /nfs/dbraw/zinc/19/72/49/569197249.db2.gz CTIPQNKZAFRNJJ-GDNBJRDFSA-N -1 0 417.223 4.854 50 10 HJCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000009010395 569391186 /nfs/dbraw/zinc/39/11/86/569391186.db2.gz OEADRPRJNCGXTH-MPGHIAIKSA-N -1 0 417.246 4.816 50 10 HJCARM C[C@H]1CCCN(c2cc(NCCCC(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000002457283 132254795 /nfs/dbraw/zinc/25/47/95/132254795.db2.gz AOCIWIKUPLIYPA-AWEZNQCLSA-N -1 0 419.481 4.552 50 10 HJCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000040567409 527578704 /nfs/dbraw/zinc/57/87/04/527578704.db2.gz BFYPFLVPKAUKKP-ATVHPVEESA-N -1 0 419.499 4.932 50 10 HJCARM Cc1oc(C(=O)[O-])cc1COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000000949198 557123717 /nfs/dbraw/zinc/12/37/17/557123717.db2.gz VDOMKYBVAKUUQP-UHFFFAOYSA-N -1 0 404.418 4.871 50 10 biogenic HJCARM CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCCC2 ZINC000002772068 557760639 /nfs/dbraw/zinc/76/06/39/557760639.db2.gz SIXQTILVKGYZMI-LSDHHAIUSA-N -1 0 421.559 4.803 50 10 HJCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C2=O)c1 ZINC000013552832 558539511 /nfs/dbraw/zinc/53/95/11/558539511.db2.gz ORQCSLNDJNYXIC-XDHOZWIPSA-N -1 0 420.852 4.883 50 10 HJCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S ZINC000027533916 558674583 /nfs/dbraw/zinc/67/45/83/558674583.db2.gz GYQIRCYVGHOEPR-YFQSIASUSA-N -1 0 419.527 4.737 50 10 HJCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(F)cc3)o2)C1=O ZINC000017045302 558812959 /nfs/dbraw/zinc/81/29/59/558812959.db2.gz KKBJKSJVJPXCRA-QGOAFFKASA-N -1 0 404.397 4.519 50 10 HJCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000017091912 558820362 /nfs/dbraw/zinc/82/03/62/558820362.db2.gz LSRKKSQGFAMUAG-HZPDHXFCSA-N -1 0 419.543 4.579 50 10 HJCARM CC(=O)c1cccc(N[C@@H](c2cc([N+](=O)[O-])ccc2[O-])n2cnc3ccccc32)c1 ZINC000096602208 558981320 /nfs/dbraw/zinc/98/13/20/558981320.db2.gz CNYZJWJFMMCNBF-JOCHJYFZSA-N -1 0 402.410 4.512 50 10 HJCARM O=c1c(C=Nc2cccc(F)c2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000100418488 559135002 /nfs/dbraw/zinc/13/50/02/559135002.db2.gz UMTLWDHWXVSACI-FMIVXFBMSA-N -1 0 406.364 4.696 50 10 HJCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1[N+](=O)[O-] ZINC000100505322 559135942 /nfs/dbraw/zinc/13/59/42/559135942.db2.gz WBWAWSLACAOJID-BFQBXFRASA-N -1 0 406.427 4.593 50 10 HJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000004959448 559216948 /nfs/dbraw/zinc/21/69/48/559216948.db2.gz ZTCFLIAQZSENEG-HNYWDRBLSA-N -1 0 414.255 4.703 50 10 HJCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000044928841 560897908 /nfs/dbraw/zinc/89/79/08/560897908.db2.gz KXQATLCFFYOEKX-KWZJRMENSA-N -1 0 405.472 4.540 50 10 HJCARM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S ZINC000012274220 568457332 /nfs/dbraw/zinc/45/73/32/568457332.db2.gz KEHKQIPUBQIJQP-VUVCFOEZSA-N -1 0 419.499 4.930 50 10 HJCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S ZINC000007813359 568485223 /nfs/dbraw/zinc/48/52/23/568485223.db2.gz LFJCUSUUDNNXSL-DWKHYPNZSA-N -1 0 405.472 4.540 50 10 HJCARM O=S(=O)([N-]c1cc(Cl)ccc1Oc1ccccc1)c1cccc2nsnc21 ZINC000019077262 568750759 /nfs/dbraw/zinc/75/07/59/568750759.db2.gz YZACUYHBGHOUAE-UHFFFAOYSA-N -1 0 417.899 4.938 50 10 HJCARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)OC(C)C)C1 ZINC000005953981 568832218 /nfs/dbraw/zinc/83/22/18/568832218.db2.gz OCIKZZVAZLUVMG-ILXRZTDVSA-N -1 0 421.559 4.658 50 10 HJCARM O=C([O-])c1cccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000002990638 568836438 /nfs/dbraw/zinc/83/64/38/568836438.db2.gz PKUJNGORRVWSJX-RIYZIHGNSA-N -1 0 409.410 4.809 50 10 HJCARM CC(C)C(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004171973 568948346 /nfs/dbraw/zinc/94/83/46/568948346.db2.gz OVHTXSKBEMIRAI-FQEVSTJZSA-N -1 0 407.470 4.834 50 10 HJCARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S ZINC000054360599 569072177 /nfs/dbraw/zinc/07/21/77/569072177.db2.gz HHQBOTMFWFHPJF-HAKPAVFJSA-N -1 0 419.499 4.786 50 10 HJCARM Cc1ccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2cccs2)cc1Cl ZINC000006811735 569136178 /nfs/dbraw/zinc/13/61/78/569136178.db2.gz XWUNPYPSZNWCEB-UHFFFAOYSA-N -1 0 402.903 4.834 50 10 HJCARM Cc1oc2c(ccc([O-])c2CN2C[C@@H](C)O[C@H](C)C2)c(=O)c1-c1ccccc1Cl ZINC000014182626 569258776 /nfs/dbraw/zinc/25/87/76/569258776.db2.gz BHFGZDIJYNCEKK-ZIAGYGMSSA-N -1 0 413.901 4.737 50 10 HJCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccccc1 ZINC000252598702 569296577 /nfs/dbraw/zinc/29/65/77/569296577.db2.gz DCEWLGWTZTTZSD-QGZVFWFLSA-N -1 0 406.427 4.593 50 10 HJCARM Cc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(C)n1-c1cccc2ccccc21 ZINC000009310490 571247110 /nfs/dbraw/zinc/24/71/10/571247110.db2.gz YLBFALHLSWKXIM-YBFXNURJSA-N -1 0 422.531 4.533 50 10 HJCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1C1CCCC1 ZINC000000654280 132230090 /nfs/dbraw/zinc/23/00/90/132230090.db2.gz LAFIENBHDFNOGX-DEDYPNTBSA-N -1 0 421.566 4.668 50 10 HJCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SC4CCCCC4)o3)C2=O)cc1 ZINC000005025771 132298672 /nfs/dbraw/zinc/29/86/72/132298672.db2.gz CLCNRFKMSYWXRP-AQTBWJFISA-N -1 0 410.495 4.679 50 10 HJCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000000665450 557045260 /nfs/dbraw/zinc/04/52/60/557045260.db2.gz MXPCDYLLRWGCBS-WOJGMQOQSA-N -1 0 422.824 4.704 50 10 HJCARM O=C([O-])CCc1ccc(-c2ccccc2)n1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001051436 557160046 /nfs/dbraw/zinc/16/00/46/557160046.db2.gz MLOFQVGKXRFOIB-UHFFFAOYSA-N -1 0 416.399 4.830 50 10 HJCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000003652633 557496774 /nfs/dbraw/zinc/49/67/74/557496774.db2.gz UQMQTLWIOGHDEF-WOJGMQOQSA-N -1 0 422.824 4.704 50 10 HJCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C[C@H](C(C)(C)C)CC2 ZINC000004614195 557572508 /nfs/dbraw/zinc/57/25/08/557572508.db2.gz BQUYVTSRZJNFJW-MCIONIFRSA-N -1 0 421.559 4.515 50 10 HJCARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)C1 ZINC000004651479 557575908 /nfs/dbraw/zinc/57/59/08/557575908.db2.gz BTGQOEKVRMUXOF-CVEARBPZSA-N -1 0 419.543 4.578 50 10 HJCARM O=C([O-])c1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2O)cc1 ZINC000005049594 557630133 /nfs/dbraw/zinc/63/01/33/557630133.db2.gz HUQNLMOVZHOLQY-LJQANCHMSA-N -1 0 405.841 4.889 50 10 HJCARM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3cccc(Cl)c3n2)SC1=S ZINC000013719272 558580802 /nfs/dbraw/zinc/58/08/02/558580802.db2.gz YSMSNURKAJQZML-MFYHJKBNSA-N -1 0 420.943 4.733 50 10 HJCARM CCc1ccc(-c2ccc(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)o2)cc1 ZINC000013592202 558846430 /nfs/dbraw/zinc/84/64/30/558846430.db2.gz IEJSHEDGYPKAIT-ATVHPVEESA-N -1 0 401.509 4.575 50 10 HJCARM O=S(=O)([N-]c1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)c(F)c1F ZINC000058701178 558929382 /nfs/dbraw/zinc/92/93/82/558929382.db2.gz QHKVIFKLDZUTIF-UHFFFAOYSA-N -1 0 404.822 4.682 50 10 HJCARM CCOc1cccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000033316171 559055536 /nfs/dbraw/zinc/05/55/36/559055536.db2.gz HIEHQMIFYVYWSU-ZROIWOOFSA-N -1 0 405.237 4.899 50 10 HJCARM CCCCCCc1c(C)c2ccc([O-])c(C[NH2+][C@H](C(=O)[O-])[C@H](C)CC)c2oc1=O ZINC000011866847 559264367 /nfs/dbraw/zinc/26/43/67/559264367.db2.gz YYECOTLRINGOBL-VLIAUNLRSA-N -1 0 403.519 4.519 50 10 HJCARM CC(C)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000018166463 560780539 /nfs/dbraw/zinc/78/05/39/560780539.db2.gz VVSJRNDJJDKKOW-ZHZULCJRSA-N -1 0 415.518 4.707 50 10 HJCARM O=c1[nH]n(C2CCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3cccnc3)c12 ZINC000095473273 568628518 /nfs/dbraw/zinc/62/85/18/568628518.db2.gz SNPWCMBUZCAVGB-UHFFFAOYSA-N -1 0 402.410 4.625 50 10 HJCARM COc1ccc(C2=N[C@@H](c3ccc(OC)c(OC)c3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053362918 569027494 /nfs/dbraw/zinc/02/74/94/569027494.db2.gz QGZVHQOOHACNRI-SQJMNOBHSA-N -1 0 418.493 4.641 50 10 HJCARM O=C([O-])c1ccccc1N=N[C@@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000252634663 569316679 /nfs/dbraw/zinc/31/66/79/569316679.db2.gz WQGIOSWMNJENAS-IBGZPJMESA-N -1 0 416.462 4.633 50 10 HJCARM CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000009805446 571285831 /nfs/dbraw/zinc/28/58/31/571285831.db2.gz NMGOVXOGSJFXHA-YBEGLDIGSA-N -1 0 419.911 4.843 50 10 HJCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000002359040 132253204 /nfs/dbraw/zinc/25/32/04/132253204.db2.gz QIWDJKHFOOVEES-HMMYKYKNSA-N -1 0 407.429 4.706 50 10 HJCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Oc4ccccc4)c3)C2=O)c1 ZINC000004209101 132273059 /nfs/dbraw/zinc/27/30/59/132273059.db2.gz VTSRVEFOMDGZOE-PXLXIMEGSA-N -1 0 412.445 4.762 50 10 HJCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3F)C2=O)cc1 ZINC000002235332 536184357 /nfs/dbraw/zinc/18/43/57/536184357.db2.gz RRQRJMUZVMSXDY-XSFVSMFZSA-N -1 0 417.440 4.745 50 10 HJCARM CCCCC(=O)N[C@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002815032 557394907 /nfs/dbraw/zinc/39/49/07/557394907.db2.gz HIWLPHWNQGEALE-JXOMPUQVSA-N -1 0 405.454 4.910 50 10 HJCARM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000004704554 557584730 /nfs/dbraw/zinc/58/47/30/557584730.db2.gz VGKUWGPJFCCCLR-KGENOOAVSA-N -1 0 414.461 4.522 50 10 HJCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000005010082 557625132 /nfs/dbraw/zinc/62/51/32/557625132.db2.gz MUWUSNBRCCEQFW-BKUYFWCQSA-N -1 0 400.482 4.618 50 10 HJCARM CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000014944361 558679745 /nfs/dbraw/zinc/67/97/45/558679745.db2.gz UTOVQTGYUDRRIQ-REHUZNOOSA-N -1 0 404.510 4.841 50 10 HJCARM CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004623600 558887348 /nfs/dbraw/zinc/88/73/48/558887348.db2.gz UTOVQTGYUDRRIQ-ROKPMTFOSA-N -1 0 404.510 4.841 50 10 HJCARM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S ZINC000012274221 568457283 /nfs/dbraw/zinc/45/72/83/568457283.db2.gz KEHKQIPUBQIJQP-QAEAHILHSA-N -1 0 419.499 4.930 50 10 HJCARM CCOc1ccc(N2C(=O)C(=Cc3c(C)n(C)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000000656349 568459551 /nfs/dbraw/zinc/45/95/51/568459551.db2.gz XWCURWNWCHODKM-CPNJWEJPSA-N -1 0 419.506 4.557 50 10 HJCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000002672831 568800520 /nfs/dbraw/zinc/80/05/20/568800520.db2.gz WQVCLZAUFRUGJG-MLPAPPSSSA-N -1 0 414.291 4.539 50 10 HJCARM O=S(=O)([N-]c1nc2c(s1)COc1ccccc1-2)c1cccc(Cl)c1Cl ZINC000012692998 568915736 /nfs/dbraw/zinc/91/57/36/568915736.db2.gz XSVSZJNAKOGIQQ-UHFFFAOYSA-N -1 0 413.307 4.810 50 10 HJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000001416762 568934153 /nfs/dbraw/zinc/93/41/53/568934153.db2.gz ZTCFLIAQZSENEG-CLUVUEOHSA-N -1 0 414.255 4.703 50 10 HJCARM CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000013810438 569257912 /nfs/dbraw/zinc/25/79/12/569257912.db2.gz VCMQJKNKSZPWDE-JCMHNJIXSA-N -1 0 412.445 4.770 50 10 HJCARM CCCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 ZINC000002264068 132250778 /nfs/dbraw/zinc/25/07/78/132250778.db2.gz AIBUPZKYGNNCRX-DEDYPNTBSA-N -1 0 401.466 4.539 50 10 HJCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4[nH]c3-c3ccccc3)C2=O)cc1 ZINC000009318072 132338487 /nfs/dbraw/zinc/33/84/87/132338487.db2.gz CTSIZGIRCMHWOH-RCCKNPSSSA-N -1 0 421.456 4.810 50 10 HJCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c3ccccc3[nH]c2-c2ccccc2)C1=O ZINC000009331439 132338791 /nfs/dbraw/zinc/33/87/91/132338791.db2.gz FMAZQGAUXTVVGQ-HMMYKYKNSA-N -1 0 421.456 4.810 50 10 HJCARM Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=O)[N-]C2=S)c1C ZINC000009934518 132344212 /nfs/dbraw/zinc/34/42/12/132344212.db2.gz QOHQQCLCWXVAEN-PDGQHHTCSA-N -1 0 420.465 4.534 50 10 HJCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)c1 ZINC000011852664 132351343 /nfs/dbraw/zinc/35/13/43/132351343.db2.gz MXWSWOIUKUTNDX-HAHDFKILSA-N -1 0 422.440 4.668 50 10 HJCARM Cc1cc(S(=O)(=O)[N-]c2nc(-c3ccc(F)c(F)c3)c(C)s2)c(C)s1 ZINC000032717132 525423331 /nfs/dbraw/zinc/42/33/31/525423331.db2.gz XNRJAGHCUCVXJQ-UHFFFAOYSA-N -1 0 400.497 4.876 50 10 HJCARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCCCC2 ZINC000002765236 557756553 /nfs/dbraw/zinc/75/65/53/557756553.db2.gz INLYLINKPDKDEZ-LSDHHAIUSA-N -1 0 419.543 4.579 50 10 HJCARM O=C([O-])c1ccccc1N=N[C@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000008417191 557787510 /nfs/dbraw/zinc/78/75/10/557787510.db2.gz WQGIOSWMNJENAS-FYTMPNSFSA-N -1 0 416.462 4.633 50 10 HJCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(N(C)CCC(C)C)cc3)C2=O)cc1Cl ZINC000017146062 558824044 /nfs/dbraw/zinc/82/40/44/558824044.db2.gz NCFZVJJPLYUXPN-MOSHPQCFSA-N -1 0 411.933 4.592 50 10 HJCARM CCOC(=O)c1c2c(sc1N=Cc1c(C)[n-]n(-c3ccccc3)c1=O)CCCC2 ZINC000100498044 559135722 /nfs/dbraw/zinc/13/57/22/559135722.db2.gz SZVZGMCVCFVERM-LGMDPLHJSA-N -1 0 409.511 4.522 50 10 HJCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc([N+](=O)[O-])c1 ZINC000100505318 559135915 /nfs/dbraw/zinc/13/59/15/559135915.db2.gz SOGVFRJWAJIJTC-SIUCFOQUSA-N -1 0 406.427 4.593 50 10 HJCARM O=C(N[C@@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-])C1CCCCC1 ZINC000020032750 568586471 /nfs/dbraw/zinc/58/64/71/568586471.db2.gz ZVBXVURVEYIRNO-FQEVSTJZSA-N -1 0 405.454 4.635 50 10 HJCARM CCN(CC)c1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=NN2c2ccccc2)cc1 ZINC000227173718 568828464 /nfs/dbraw/zinc/82/84/64/568828464.db2.gz ITWHEVDCSCXJBU-JOCHJYFZSA-N -1 0 417.509 4.856 50 10 HJCARM COc1ccc(C2=N[C@H](c3ccc(OC)c(OC)c3)N[C@H](c3ccccc3O)C2)cc1 ZINC000053362922 569027447 /nfs/dbraw/zinc/02/74/47/569027447.db2.gz QGZVHQOOHACNRI-OFVILXPXSA-N -1 0 418.493 4.641 50 10 HJCARM CCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000027571732 569374706 /nfs/dbraw/zinc/37/47/06/569374706.db2.gz RUOSOTCKZCZIEZ-QGZVFWFLSA-N -1 0 420.252 4.771 50 10 HJCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000009014175 571211216 /nfs/dbraw/zinc/21/12/16/571211216.db2.gz IQCRJAJFXZWWRY-HKWRFOASSA-N -1 0 413.477 4.834 50 10 HJCARM CC(=C\c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2O)C1=O ZINC000009030155 571212355 /nfs/dbraw/zinc/21/23/55/571212355.db2.gz UQCPZUBZIDZRIH-FQHLDWHWSA-N -1 0 424.547 4.569 50 10 HJCARM CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)[C@H](C(=O)[O-])C1 ZINC000003864114 557501624 /nfs/dbraw/zinc/50/16/24/557501624.db2.gz BTGQOEKVRMUXOF-HZPDHXFCSA-N -1 0 419.543 4.578 50 10 HJCARM COc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000002767884 557760217 /nfs/dbraw/zinc/76/02/17/557760217.db2.gz UWNVJMBISPGMOI-UHFFFAOYSA-N -1 0 402.541 4.917 50 10 HJCARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCCCC2 ZINC000002772071 557760611 /nfs/dbraw/zinc/76/06/11/557760611.db2.gz SIXQTILVKGYZMI-CABCVRRESA-N -1 0 421.559 4.803 50 10 HJCARM Cn1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21 ZINC000013773960 558592161 /nfs/dbraw/zinc/59/21/61/558592161.db2.gz BGEJYZIQHPWCGY-SXGWCWSVSA-N -1 0 413.355 4.704 50 10 HJCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1[N+](=O)[O-] ZINC000013897051 558600565 /nfs/dbraw/zinc/60/05/65/558600565.db2.gz WBWAWSLACAOJID-SIUCFOQUSA-N -1 0 406.427 4.593 50 10 HJCARM CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000035464033 558792194 /nfs/dbraw/zinc/79/21/94/558792194.db2.gz SFSDWADAZQOLIY-LDADJPATSA-N -1 0 403.394 4.675 50 10 HJCARM Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000095276488 559079523 /nfs/dbraw/zinc/07/95/23/559079523.db2.gz PMBBFTGZCZSYSN-NDENLUEZSA-N -1 0 406.873 4.654 50 10 HJCARM O=C([O-])C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000005214742 560542910 /nfs/dbraw/zinc/54/29/10/560542910.db2.gz VJWNLDSEFPHOHL-CCAPLTMGSA-N -1 0 403.912 4.757 50 10 HJCARM COC(=O)c1cc(NC=C2C(=O)N(c3cccc4ccccc43)N=C2C)ccc1Cl ZINC000101114335 560786901 /nfs/dbraw/zinc/78/69/01/560786901.db2.gz STXWLYUDTZXQBF-CPNJWEJPSA-N -1 0 419.868 4.998 50 10 HJCARM CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(C(=O)[O-])c1 ZINC000016225834 560859526 /nfs/dbraw/zinc/85/95/26/560859526.db2.gz GJBAOBVYYWQMNY-STZFKDTASA-N -1 0 412.445 4.770 50 10 HJCARM CCCCC(=O)N[C@@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002999903 568836651 /nfs/dbraw/zinc/83/66/51/568836651.db2.gz UUDZWKWHQOPGHX-IBGZPJMESA-N -1 0 413.861 4.898 50 10 HJCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000010058949 569252998 /nfs/dbraw/zinc/25/29/98/569252998.db2.gz NTNLEYZRQPLFBT-UDWIEESQSA-N -1 0 409.461 4.868 50 10 HJCARM CCCCC1(C)OC(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)O1 ZINC000002222643 569313252 /nfs/dbraw/zinc/31/32/52/569313252.db2.gz TVVMRMOOMVSGBH-UHFFFAOYSA-N -1 0 418.829 4.688 50 10 HJCARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccc(F)cc2)cc1 ZINC000002271326 569327076 /nfs/dbraw/zinc/32/70/76/569327076.db2.gz SVSPZURVVSSGPV-UHFFFAOYSA-N -1 0 403.862 4.819 50 10 HJCARM O=C([O-])[C@H]1Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2[C@@H]2C=CC[C@H]21 ZINC000011859517 569399049 /nfs/dbraw/zinc/39/90/49/569399049.db2.gz FXXMVOQVYPYDOI-VFVRVIDISA-N -1 0 403.265 4.784 50 10 HJCARM CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(C3CCCC3)c2C)C(=O)[N-]C1=S ZINC000000654474 132230165 /nfs/dbraw/zinc/23/01/65/132230165.db2.gz DPSAMELFLUKCEX-XSFVSMFZSA-N -1 0 421.566 4.614 50 10 HJCARM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)[N-]C2=S)cc1Cl ZINC000000686745 132230916 /nfs/dbraw/zinc/23/09/16/132230916.db2.gz YYELPRIVNMLCRM-SFQUDFHCSA-N -1 0 422.893 4.740 50 10 HJCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001195224 132241383 /nfs/dbraw/zinc/24/13/83/132241383.db2.gz CWUVGYXETFALQY-SFQUDFHCSA-N -1 0 419.418 4.526 50 10 HJCARM Fc1ccc(NC(=S)NN=c2nc(-c3ccccc3)c(-c3ccccc3)n[n-]2)cc1 ZINC000000642504 557033156 /nfs/dbraw/zinc/03/31/56/557033156.db2.gz CVMMWULDZISRBZ-UHFFFAOYSA-N -1 0 416.485 4.658 50 10 HJCARM O=C1[N-]N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000000669316 557047561 /nfs/dbraw/zinc/04/75/61/557047561.db2.gz XIVNLCQGJACNPA-XNTDXEJSSA-N -1 0 417.223 4.854 50 10 HJCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCCCC2 ZINC000002765239 557756575 /nfs/dbraw/zinc/75/65/75/557756575.db2.gz INLYLINKPDKDEZ-CABCVRRESA-N -1 0 419.543 4.579 50 10 HJCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000007813371 557762898 /nfs/dbraw/zinc/76/28/98/557762898.db2.gz KXQATLCFFYOEKX-KNGSKEOJSA-N -1 0 405.472 4.540 50 10 HJCARM CCc1ccccc1-n1c(C)cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1C ZINC000013801178 558594855 /nfs/dbraw/zinc/59/48/55/558594855.db2.gz UOTODCZVOQQUCC-QNGOZBTKSA-N -1 0 413.477 4.527 50 10 HJCARM CCCCCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000006210101 559081189 /nfs/dbraw/zinc/08/11/89/559081189.db2.gz GEPIBMBSVZNEFE-VKAVYKQESA-N -1 0 407.557 4.712 50 10 HJCARM CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000103020616 560836763 /nfs/dbraw/zinc/83/67/63/560836763.db2.gz UTOVQTGYUDRRIQ-NMMYMHLASA-N -1 0 404.510 4.841 50 10 HJCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000044928839 560897943 /nfs/dbraw/zinc/89/79/43/560897943.db2.gz KXQATLCFFYOEKX-FBKCMUNRSA-N -1 0 405.472 4.540 50 10 HJCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C2=O)c1 ZINC000002982331 132261327 /nfs/dbraw/zinc/26/13/27/132261327.db2.gz VDVWQNLDOXFXFD-CPNJWEJPSA-N -1 0 405.841 4.946 50 10 HJCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(c2)Cc2ccccc2-3)C1=O ZINC000008837629 132333695 /nfs/dbraw/zinc/33/36/95/132333695.db2.gz HCEOZBFFTUWIRJ-MOSHPQCFSA-N -1 0 410.429 4.773 50 10 HJCARM Cc1ccc([C@@H](NC(=O)C2CCCCC2)c2cc([N+](=O)[O-])c3cccnc3c2[O-])cc1 ZINC000020032774 525767497 /nfs/dbraw/zinc/76/74/97/525767497.db2.gz CGGXCXPHBSJAAN-OAQYLSRUSA-N -1 0 419.481 4.943 50 10 HJCARM CCCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000002801776 557763022 /nfs/dbraw/zinc/76/30/22/557763022.db2.gz SBKAVKFUPLSCTI-CVEARBPZSA-N -1 0 419.543 4.579 50 10 HJCARM O=C1[N-]C(=O)C(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1 ZINC000009090019 557822569 /nfs/dbraw/zinc/82/25/69/557822569.db2.gz YJUQAXWTVZEZFA-UHFFFAOYSA-N -1 0 414.248 4.586 50 10 HJCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])C[C@@H](C(C)(C)C)CC2 ZINC000017092778 558821256 /nfs/dbraw/zinc/82/12/56/558821256.db2.gz BQUYVTSRZJNFJW-BFHYXJOUSA-N -1 0 421.559 4.515 50 10 HJCARM CN(C)c1ccc(C=C2C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000033336066 559063611 /nfs/dbraw/zinc/06/36/11/559063611.db2.gz DSCNKSWUSWPLMI-RGEXLXHISA-N -1 0 401.491 4.577 50 10 HJCARM CCCCN1CCc2cc(C=C3C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)ccc21 ZINC000033365792 559069007 /nfs/dbraw/zinc/06/90/07/559069007.db2.gz CNXJLJRLEOYICN-CYVLTUHYSA-N -1 0 403.482 4.664 50 10 HJCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000097944354 559124648 /nfs/dbraw/zinc/12/46/48/559124648.db2.gz BXJICSPKQSEPNG-CIAFOILYSA-N -1 0 420.900 4.963 50 10 HJCARM CC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4cccc(C(=O)[O-])c4)N=C3C)o2)c1 ZINC000005200377 559292753 /nfs/dbraw/zinc/29/27/53/559292753.db2.gz SHLPOHQEDAGSOI-BKUYFWCQSA-N -1 0 414.417 4.654 50 10 HJCARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000005521026 560605296 /nfs/dbraw/zinc/60/52/96/560605296.db2.gz XUDYNYPYOQKSOS-LDADJPATSA-N -1 0 406.873 4.654 50 10 HJCARM Cc1c(Cl)cccc1N=Cc1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1C(F)(F)F ZINC000102874944 560830403 /nfs/dbraw/zinc/83/04/03/560830403.db2.gz WBMFXCIZGNTSKO-UKTHLTGXSA-N -1 0 424.766 4.818 50 10 HJCARM O=C(N[C@@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1[O-])C1CCCCC1 ZINC000020032794 568586456 /nfs/dbraw/zinc/58/64/56/568586456.db2.gz PGQBDNDYKVETGQ-GOSISDBHSA-N -1 0 411.483 4.696 50 10 HJCARM COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2C=CC[C@@H]21 ZINC000002578383 568784643 /nfs/dbraw/zinc/78/46/43/568784643.db2.gz NZGRRGAZVGOZOV-BIENJYKASA-N -1 0 400.272 4.982 50 10 HJCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S ZINC000003639943 568865366 /nfs/dbraw/zinc/86/53/66/568865366.db2.gz CNYIHZMWZVWMRN-AWNIVKPZSA-N -1 0 414.291 4.539 50 10 HJCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000001805171 569053441 /nfs/dbraw/zinc/05/34/41/569053441.db2.gz VZDIEMVRQWTFKY-GDNBJRDFSA-N -1 0 407.900 4.666 50 10 HJCARM CC(C)Sc1nc2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc2s1 ZINC000064747833 569089090 /nfs/dbraw/zinc/08/90/90/569089090.db2.gz HQAIJCVKMJPFKZ-UHFFFAOYSA-N -1 0 422.582 4.602 50 10 HJCARM Cc1c(Cl)cccc1NC(=O)Cn1c(CCC(=O)[O-])ccc1-c1cccs1 ZINC000006811734 569136185 /nfs/dbraw/zinc/13/61/85/569136185.db2.gz BGTKLKOQXJERMP-UHFFFAOYSA-N -1 0 402.903 4.834 50 10 HJCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000001310333 132243863 /nfs/dbraw/zinc/24/38/63/132243863.db2.gz RGTUCMAZPAQGOE-MOSHPQCFSA-N -1 0 419.868 4.618 50 10 HJCARM CC1CCN(c2cc(NCCCC(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000002457282 132254814 /nfs/dbraw/zinc/25/48/14/132254814.db2.gz UHBDRTVCPVRSQQ-UHFFFAOYSA-N -1 0 419.481 4.552 50 10 HJCARM Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cccc5nonc54)cc3)sc2c1 ZINC000001040200 557152868 /nfs/dbraw/zinc/15/28/68/557152868.db2.gz WTIOYCHYHAULIS-UHFFFAOYSA-N -1 0 422.491 4.609 50 10 HJCARM O=C1c2ccccc2N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N1Cc1cccnc1 ZINC000001045542 557156145 /nfs/dbraw/zinc/15/61/45/557156145.db2.gz LGLKTNUYKVRVSB-LJQANCHMSA-N -1 0 400.265 4.861 50 10 HJCARM COC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])C[C@H](C(C)(C)C)CC2 ZINC000004614197 557572540 /nfs/dbraw/zinc/57/25/40/557572540.db2.gz BQUYVTSRZJNFJW-RDBSUJKOSA-N -1 0 421.559 4.515 50 10 HJCARM Cc1ccccc1NC1=NC(=O)C(=Cc2cccn2-c2cccc(C(=O)[O-])c2)S1 ZINC000005533712 557659940 /nfs/dbraw/zinc/65/99/40/557659940.db2.gz MPTCEOZNPASCDH-UYRXBGFRSA-N -1 0 403.463 4.566 50 10 HJCARM CCc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c2C)cc1 ZINC000013688312 558570808 /nfs/dbraw/zinc/57/08/08/558570808.db2.gz CEKDNPRHKGMOHV-BKUYFWCQSA-N -1 0 417.465 4.752 50 10 HJCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)SC1=S ZINC000004745879 559046642 /nfs/dbraw/zinc/04/66/42/559046642.db2.gz LRMMXWZENHBDNJ-RAXLEYEMSA-N -1 0 403.447 4.552 50 10 HJCARM Cc1c(Cl)cccc1N=Cc1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1C(F)(F)F ZINC000100057374 559129276 /nfs/dbraw/zinc/12/92/76/559129276.db2.gz WBMFXCIZGNTSKO-LCYFTJDESA-N -1 0 424.766 4.818 50 10 HJCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(C)cc1 ZINC000100525272 559136199 /nfs/dbraw/zinc/13/61/99/559136199.db2.gz QWHWPYOLYPFAKL-CCWVLBSLSA-N -1 0 420.454 4.902 50 10 HJCARM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000012274223 568457352 /nfs/dbraw/zinc/45/73/52/568457352.db2.gz MUZAHBYNLRNZDV-QAEAHILHSA-N -1 0 419.499 4.930 50 10 HJCARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000000830768 568504476 /nfs/dbraw/zinc/50/44/76/568504476.db2.gz XUDYNYPYOQKSOS-PDGQHHTCSA-N -1 0 406.873 4.654 50 10 HJCARM CCOc1ccccc1-n1cccc1C=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000020210236 568594466 /nfs/dbraw/zinc/59/44/66/568594466.db2.gz SRIRTVRBEPFZPP-JXAWBTAJSA-N -1 0 419.412 4.522 50 10 HJCARM CCCC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000001158242 568775271 /nfs/dbraw/zinc/77/52/71/568775271.db2.gz VZEFETGISLDNBK-OAQYLSRUSA-N -1 0 407.470 4.978 50 10 HJCARM O=C([O-])[C@H]1Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2[C@@H]2C=CC[C@@H]21 ZINC000001818593 569056187 /nfs/dbraw/zinc/05/61/87/569056187.db2.gz FXXMVOQVYPYDOI-VBHSOAQHSA-N -1 0 403.265 4.784 50 10 HJCARM CCCCCCc1c(C)c2ccc([O-])c(C[NH2+][C@@H](C(=O)[O-])[C@H](C)CC)c2oc1=O ZINC000002145802 569289699 /nfs/dbraw/zinc/28/96/99/569289699.db2.gz YYECOTLRINGOBL-JLTOFOAXSA-N -1 0 403.519 4.519 50 10 biogenic HJCARM CCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000027571730 569374690 /nfs/dbraw/zinc/37/46/90/569374690.db2.gz RUOSOTCKZCZIEZ-KRWDZBQOSA-N -1 0 420.252 4.771 50 10 HJCARM O=C([O-])c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000000966859 557127358 /nfs/dbraw/zinc/12/73/58/557127358.db2.gz JIMHYXZZCWVCMI-ZSOIEALJSA-N -1 0 409.410 4.809 50 10 in-vitro HJCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccccc3OCc3ccccc3)C2=O)cc1Cl ZINC000004470269 557556552 /nfs/dbraw/zinc/55/65/52/557556552.db2.gz ISJNOJWSYKFEGG-MOSHPQCFSA-N -1 0 418.880 4.689 50 10 HJCARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)[C@@H](C(=O)[O-])C1 ZINC000004651481 557575923 /nfs/dbraw/zinc/57/59/23/557575923.db2.gz BTGQOEKVRMUXOF-HOTGVXAUSA-N -1 0 419.543 4.578 50 10 HJCARM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004661043 557577904 /nfs/dbraw/zinc/57/79/04/557577904.db2.gz SWACCBANPOOSCH-KSEXSDGBSA-N -1 0 415.537 4.742 50 10 HJCARM COc1ccc2cccc(/C=C3\C(=O)[N-]N(c4ccc(Cl)c(Cl)c4)C3=O)c2c1 ZINC000017293483 558826553 /nfs/dbraw/zinc/82/65/53/558826553.db2.gz AHIIWXIAQWBGRG-RQZCQDPDSA-N -1 0 413.260 4.617 50 10 HJCARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1[N+](=O)[O-] ZINC000100510962 559136096 /nfs/dbraw/zinc/13/60/96/559136096.db2.gz XRDBZTDYKLTNQC-KGNHYALCSA-N -1 0 420.454 4.902 50 10 HJCARM CC(C)Oc1ccc(C=C2C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc1Cl ZINC000033447067 559193210 /nfs/dbraw/zinc/19/32/10/559193210.db2.gz DOYAXDBVTLDCCV-NVNXTCNLSA-N -1 0 418.877 4.938 50 10 HJCARM COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C(C)C)c(F)c1 ZINC000095476169 568630346 /nfs/dbraw/zinc/63/03/46/568630346.db2.gz GRNQREXPBMNCFM-UHFFFAOYSA-N -1 0 423.400 4.843 50 10 HJCARM O=c1[nH]n(C2CCCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3cccnc3)c12 ZINC000085876156 569009481 /nfs/dbraw/zinc/00/94/81/569009481.db2.gz HGJHLJZWNDPXIU-UHFFFAOYSA-N -1 0 416.437 4.602 50 10 biogenic HJCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000013389324 569255292 /nfs/dbraw/zinc/25/52/92/569255292.db2.gz OEADRPRJNCGXTH-RKVPGOIHSA-N -1 0 417.246 4.816 50 10 HJCARM CCOc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000013369894 569412731 /nfs/dbraw/zinc/41/27/31/569412731.db2.gz LICYIYAAMQMKJL-UYRXBGFRSA-N -1 0 420.852 4.558 50 10 HJCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000010232879 571297569 /nfs/dbraw/zinc/29/75/69/571297569.db2.gz AQEYESZBGLCPIU-MLJKTZRHSA-N -1 0 407.900 4.664 50 10 HJCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)cc1Cl ZINC000008914476 132334103 /nfs/dbraw/zinc/33/41/03/132334103.db2.gz QJBPURSVADGRHJ-XFFZJAGNSA-N -1 0 409.623 4.511 50 10 HJCARM CCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000009013793 132335041 /nfs/dbraw/zinc/33/50/41/132335041.db2.gz OCEMBFFPOVGQML-RVDMUPIBSA-N -1 0 409.898 4.986 50 10 HJCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCCC4)cc3)C2=O)c1 ZINC000009244844 132337529 /nfs/dbraw/zinc/33/75/29/132337529.db2.gz SDRKANAWVYASOQ-QNGOZBTKSA-N -1 0 419.481 4.582 50 10 HJCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc4ccccc4c3)C2=O)c1 ZINC000009934894 132344197 /nfs/dbraw/zinc/34/41/97/132344197.db2.gz BQJZLULGMNDVLW-XQNSMLJCSA-N -1 0 421.456 4.605 50 10 HJCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc3ccccc3c2)C1=O ZINC000009934896 132344225 /nfs/dbraw/zinc/34/42/25/132344225.db2.gz NLCSUXVGAKCSIK-CJLVFECKSA-N -1 0 421.456 4.605 50 10 HJCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000000843323 524925060 /nfs/dbraw/zinc/92/50/60/524925060.db2.gz KTLFPJFQSWYVNN-LDADJPATSA-N -1 0 417.377 4.670 50 10 HJCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccc(Cl)c1 ZINC000033149444 527046207 /nfs/dbraw/zinc/04/62/07/527046207.db2.gz OUFVJJMMTZPWHK-NTEUORMPSA-N -1 0 405.635 4.609 50 10 HJCARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000000659509 557042548 /nfs/dbraw/zinc/04/25/48/557042548.db2.gz SMEYRESXCYUOSX-PDGQHHTCSA-N -1 0 406.873 4.654 50 10 HJCARM CCCCC1(C)OC(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)O1 ZINC000002120977 557315962 /nfs/dbraw/zinc/31/59/62/557315962.db2.gz TXZSCKDWLWBGBJ-UHFFFAOYSA-N -1 0 418.829 4.688 50 10 HJCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)SC1=S ZINC000002830554 557397798 /nfs/dbraw/zinc/39/77/98/557397798.db2.gz MLOAJONWALNFPT-OQLLNIDSSA-N -1 0 421.952 4.777 50 10 HJCARM Cc1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000013942537 558605051 /nfs/dbraw/zinc/60/50/51/558605051.db2.gz BJVRPCDLKXNJDL-STZFKDTASA-N -1 0 418.880 4.689 50 10 HJCARM O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000004739433 559043024 /nfs/dbraw/zinc/04/30/24/559043024.db2.gz PPGITVMYOIYPMS-AQTBWJFISA-N -1 0 406.488 4.581 50 10 HJCARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000033336115 559063688 /nfs/dbraw/zinc/06/36/88/559063688.db2.gz FJGNPJBCLLIIOC-ATVHPVEESA-N -1 0 418.474 4.529 50 10 HJCARM Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc(F)cc1F ZINC000103646285 559156611 /nfs/dbraw/zinc/15/66/11/559156611.db2.gz OYBBVBLATZFPNO-ZROIWOOFSA-N -1 0 406.230 4.754 50 10 HJCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000005485357 560597054 /nfs/dbraw/zinc/59/70/54/560597054.db2.gz AQEYESZBGLCPIU-NCPSJORJSA-N -1 0 407.900 4.664 50 10 HJCARM CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S ZINC000008884258 560640051 /nfs/dbraw/zinc/64/00/51/560640051.db2.gz HHQBOTMFWFHPJF-ZXMBATIKSA-N -1 0 419.499 4.786 50 10 HJCARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000101141790 560788501 /nfs/dbraw/zinc/78/85/01/560788501.db2.gz PNYLNAMZXXJRGA-UKTHLTGXSA-N -1 0 405.241 4.929 50 10 HJCARM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000019797715 560875845 /nfs/dbraw/zinc/87/58/45/560875845.db2.gz QSMZGFUCTZVCER-UNOMPAQXSA-N -1 0 420.900 4.963 50 10 HJCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S ZINC000007813358 568485277 /nfs/dbraw/zinc/48/52/77/568485277.db2.gz LFJCUSUUDNNXSL-KNGSKEOJSA-N -1 0 405.472 4.540 50 10 HJCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3F)SC2=S)c1 ZINC000020210269 568594474 /nfs/dbraw/zinc/59/44/74/568594474.db2.gz QWEWVSWGLRDGHE-PDGQHHTCSA-N -1 0 424.478 4.720 50 10 HJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000000871766 568730360 /nfs/dbraw/zinc/73/03/60/568730360.db2.gz ZTCFLIAQZSENEG-UYSIFFEZSA-N -1 0 414.255 4.703 50 10 HJCARM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C(C)(C)C)c1O ZINC000002475318 568774016 /nfs/dbraw/zinc/77/40/16/568774016.db2.gz NVLZBSOHGHZMCQ-UHFFFAOYSA-N -1 0 406.504 4.696 50 10 HJCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(Br)c2)cc1 ZINC000003672681 568867537 /nfs/dbraw/zinc/86/75/37/568867537.db2.gz KKWBWWYIIIQTDU-UHFFFAOYSA-N -1 0 400.272 4.933 50 10 HJCARM O=S(=O)([N-]c1nc2c(s1)COc1ccccc1-2)c1cc(Cl)ccc1Cl ZINC000012680212 568907569 /nfs/dbraw/zinc/90/75/69/568907569.db2.gz IFQSCFAZFQODMV-UHFFFAOYSA-N -1 0 413.307 4.810 50 10 HJCARM O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000002277407 569327902 /nfs/dbraw/zinc/32/79/02/569327902.db2.gz HGLFMBQGIJJERK-XNTDXEJSSA-N -1 0 407.900 4.666 50 10 HJCARM O=C([O-])CCCNc1cc(N2CCCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000002457297 569413842 /nfs/dbraw/zinc/41/38/42/569413842.db2.gz JIGHTRYWFZQQBJ-UHFFFAOYSA-N -1 0 419.481 4.696 50 10 HJCARM O=C([O-])CCc1ccc(-c2cccs2)n1CC(=O)Nc1ccccc1C(F)(F)F ZINC000008612592 571095061 /nfs/dbraw/zinc/09/50/61/571095061.db2.gz DSBARNQWTUSHCE-UHFFFAOYSA-N -1 0 422.428 4.891 50 10 HJCARM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000009044037 132227992 /nfs/dbraw/zinc/22/79/92/132227992.db2.gz QFDPJJVKNUPVJL-YBEGLDIGSA-N -1 0 404.344 4.611 50 10 HJCARM CCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000002368946 132253432 /nfs/dbraw/zinc/25/34/32/132253432.db2.gz UNYIUZKYGNLHBW-GZTJUZNOSA-N -1 0 409.898 4.986 50 10 HJCARM CC(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000002915807 132259422 /nfs/dbraw/zinc/25/94/22/132259422.db2.gz SUEIOGNVICHNOG-OQLLNIDSSA-N -1 0 419.333 4.948 50 10 HJCARM CSc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000003771653 132268827 /nfs/dbraw/zinc/26/88/27/132268827.db2.gz BBXKETWKGTYOSQ-FMIVXFBMSA-N -1 0 423.346 4.547 50 10 HJCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccccc4)o3)C2=O)cc1 ZINC000009075913 536184267 /nfs/dbraw/zinc/18/42/67/536184267.db2.gz WJNBAZUTAPAPDG-RGEXLXHISA-N -1 0 418.474 4.660 50 10 HJCARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)[C@H](C(=O)[O-])C1 ZINC000003864113 557501415 /nfs/dbraw/zinc/50/14/15/557501415.db2.gz BTGQOEKVRMUXOF-JKSUJKDBSA-N -1 0 419.543 4.578 50 10 HJCARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCCC2 ZINC000002772069 557760661 /nfs/dbraw/zinc/76/06/61/557760661.db2.gz SIXQTILVKGYZMI-HUUCEWRRSA-N -1 0 421.559 4.803 50 10 HJCARM CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000035337436 558790371 /nfs/dbraw/zinc/79/03/71/558790371.db2.gz BZKQCNGEUIJYDH-XDHOZWIPSA-N -1 0 417.421 4.983 50 10 HJCARM CCOc1cc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)cc([N+](=O)[O-])c1[O-] ZINC000036152134 558798045 /nfs/dbraw/zinc/79/80/45/558798045.db2.gz KPPJUKQJALZSCP-GRSHGNNSSA-N -1 0 417.421 4.658 50 10 HJCARM Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc(F)cc1F ZINC000017193968 558825429 /nfs/dbraw/zinc/82/54/29/558825429.db2.gz OYBBVBLATZFPNO-NTEUORMPSA-N -1 0 406.230 4.754 50 10 HJCARM CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)O1 ZINC000004690645 558904559 /nfs/dbraw/zinc/90/45/59/558904559.db2.gz RAJJYAFXJYSVSS-UHFFFAOYSA-N -1 0 418.829 4.544 50 10 HJCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000033334447 559063467 /nfs/dbraw/zinc/06/34/67/559063467.db2.gz XKUJYLVQVCUMFI-WZUFQYTHSA-N -1 0 402.064 4.762 50 10 HJCARM CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c2ccccc21 ZINC000016213294 560859504 /nfs/dbraw/zinc/85/95/04/560859504.db2.gz RHGXKIZXXCGMQJ-DEDYPNTBSA-N -1 0 417.534 4.616 50 10 HJCARM CCN(CC)c1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NN2c2ccccc2)cc1 ZINC000227173712 568828564 /nfs/dbraw/zinc/82/85/64/568828564.db2.gz ITWHEVDCSCXJBU-QFIPXVFZSA-N -1 0 417.509 4.856 50 10 HJCARM COc1ccc(-c2csc([N-]S(=O)(=O)c3ccccc3Cl)n2)cc1Cl ZINC000170594055 569241308 /nfs/dbraw/zinc/24/13/08/569241308.db2.gz QNZDEPPVGLZALJ-UHFFFAOYSA-N -1 0 415.323 4.926 50 10 HJCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccccc1 ZINC000252598701 569296542 /nfs/dbraw/zinc/29/65/42/569296542.db2.gz DCEWLGWTZTTZSD-KRWDZBQOSA-N -1 0 406.427 4.593 50 10 HJCARM CCCCCCc1c(C)c2ccc([O-])c(C[NH2+][C@@H](C(=O)[O-])[C@@H](C)CC)c2oc1=O ZINC000012661672 569402703 /nfs/dbraw/zinc/40/27/03/569402703.db2.gz YYECOTLRINGOBL-VBKZILBWSA-N -1 0 403.519 4.519 50 10 biogenic HJCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000000843329 524926001 /nfs/dbraw/zinc/92/60/01/524926001.db2.gz MBJHPHBCKZUNPV-LDADJPATSA-N -1 0 406.825 4.575 50 10 HJCARM Cc1c(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1C ZINC000033149456 525519547 /nfs/dbraw/zinc/51/95/47/525519547.db2.gz YUBPPZIHWNLLIA-GZTJUZNOSA-N -1 0 409.898 4.812 50 10 HJCARM O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000002381884 557342225 /nfs/dbraw/zinc/34/22/25/557342225.db2.gz BMSIUYNXHXLUPO-XNTDXEJSSA-N -1 0 407.900 4.666 50 10 HJCARM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3c(F)c(F)c(F)c(F)c3F)cs2)cc1 ZINC000002817385 557395455 /nfs/dbraw/zinc/39/54/55/557395455.db2.gz PVFBKUDGPSPSPS-UHFFFAOYSA-N -1 0 420.384 4.615 50 10 HJCARM COC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])C[C@@H](C(C)(C)C)CC2 ZINC000004614198 557572597 /nfs/dbraw/zinc/57/25/97/557572597.db2.gz BQUYVTSRZJNFJW-IHRRRGAJSA-N -1 0 421.559 4.515 50 10 HJCARM CCCOC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000002801775 557762886 /nfs/dbraw/zinc/76/28/86/557762886.db2.gz SBKAVKFUPLSCTI-HOTGVXAUSA-N -1 0 419.543 4.579 50 10 HJCARM Cc1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000013809797 558595280 /nfs/dbraw/zinc/59/52/80/558595280.db2.gz BSWHVXJPEOAUBZ-YBEGLDIGSA-N -1 0 424.254 4.746 50 10 HJCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000015658945 558747860 /nfs/dbraw/zinc/74/78/60/558747860.db2.gz FIIRZYXKAVKMJA-ZSOIEALJSA-N -1 0 419.662 4.607 50 10 HJCARM CC(=O)n1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 ZINC000017045874 558812991 /nfs/dbraw/zinc/81/29/91/558812991.db2.gz IFQKHUPEEXMRRY-RQZCQDPDSA-N -1 0 421.840 4.770 50 10 HJCARM CCOC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000017091913 558820519 /nfs/dbraw/zinc/82/05/19/558820519.db2.gz LSRKKSQGFAMUAG-JKSUJKDBSA-N -1 0 419.543 4.579 50 10 HJCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000002009766 560559133 /nfs/dbraw/zinc/55/91/33/560559133.db2.gz IRNIRFQMWORVLH-AWNIVKPZSA-N -1 0 414.291 4.539 50 10 HJCARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000005447742 560589035 /nfs/dbraw/zinc/58/90/35/560589035.db2.gz SMEYRESXCYUOSX-LDADJPATSA-N -1 0 406.873 4.654 50 10 HJCARM CCCCC(=O)N[C@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002999904 568836726 /nfs/dbraw/zinc/83/67/26/568836726.db2.gz UUDZWKWHQOPGHX-LJQANCHMSA-N -1 0 413.861 4.898 50 10 HJCARM O=C1c2ccccc2-c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c21 ZINC000003997650 568931826 /nfs/dbraw/zinc/93/18/26/568931826.db2.gz FXRODXJGLHGQFW-UHFFFAOYSA-N -1 0 403.381 4.718 50 10 HJCARM COc1ccc(C2=N[C@H](c3ccc(OC)c(OC)c3)N[C@@H](c3ccccc3O)C2)cc1 ZINC000053362920 569027472 /nfs/dbraw/zinc/02/74/72/569027472.db2.gz QGZVHQOOHACNRI-BWKNWUBXSA-N -1 0 418.493 4.641 50 10 HJCARM CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000036153501 569101375 /nfs/dbraw/zinc/10/13/75/569101375.db2.gz FTKWYCDIMDKEFW-XDHOZWIPSA-N -1 0 417.421 4.983 50 10 HJCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000006167809 132309408 /nfs/dbraw/zinc/30/94/08/132309408.db2.gz LJFHEPPSISXOHF-HAHDFKILSA-N -1 0 406.441 4.968 50 10 HJCARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000019797683 527523509 /nfs/dbraw/zinc/52/35/09/527523509.db2.gz UZVZXLCTIAXWSE-XKZIYDEJSA-N -1 0 400.482 4.618 50 10 HJCARM O=C([O-])C/C(=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000032642094 527551436 /nfs/dbraw/zinc/55/14/36/527551436.db2.gz DRRBPDQJBSVZQQ-PTNGSMBKSA-N -1 0 409.467 4.820 50 10 HJCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000009428601 536183908 /nfs/dbraw/zinc/18/39/08/536183908.db2.gz IVYQGCRDYFUCDJ-UYRXBGFRSA-N -1 0 420.852 4.829 50 10 HJCARM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000009311846 557836281 /nfs/dbraw/zinc/83/62/81/557836281.db2.gz ZNSCSFQYSIOXEP-CIAFOILYSA-N -1 0 421.884 4.507 50 10 HJCARM CC(=C\c1ccccc1)/C=C1\SC(=S)N([C@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000012342793 558386261 /nfs/dbraw/zinc/38/62/61/558386261.db2.gz LDZQUNCQSFRUPO-NEVULKFESA-N -1 0 409.532 4.530 50 10 HJCARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000100502169 559135762 /nfs/dbraw/zinc/13/57/62/559135762.db2.gz JQICXWZUARWKMA-MTJSOVHGSA-N -1 0 420.900 4.963 50 10 HJCARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000005521021 560605282 /nfs/dbraw/zinc/60/52/82/560605282.db2.gz FLABBQJEKAYFOP-DEDYPNTBSA-N -1 0 400.482 4.618 50 10 HJCARM CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)[O-])c2)N=C1C ZINC000004178860 568948981 /nfs/dbraw/zinc/94/89/81/568948981.db2.gz HZGGXBIZLXXCON-DHDCSXOGSA-N -1 0 419.264 4.896 50 10 HJCARM CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S ZINC000054360600 569072251 /nfs/dbraw/zinc/07/22/51/569072251.db2.gz HHQBOTMFWFHPJF-DISPHTKASA-N -1 0 419.499 4.786 50 10 HJCARM Cc1oc2c(ccc([O-])c2CN2C[C@@H](C)O[C@@H](C)C2)c(=O)c1-c1ccccc1Cl ZINC000014182630 569258780 /nfs/dbraw/zinc/25/87/80/569258780.db2.gz BHFGZDIJYNCEKK-OKILXGFUSA-N -1 0 413.901 4.737 50 10 HJCARM CCCn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)c2ccccc21 ZINC000009357072 132339078 /nfs/dbraw/zinc/33/90/78/132339078.db2.gz AJDIRWCUBAPDCX-KGENOOAVSA-N -1 0 415.493 4.841 50 10 HJCARM Cc1ccc(-n2cccc2/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000020210265 525912468 /nfs/dbraw/zinc/91/24/68/525912468.db2.gz VCTDAXJPWICSCY-UYRXBGFRSA-N -1 0 420.515 4.890 50 10 HJCARM O=C1[N-]N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000000669320 557047457 /nfs/dbraw/zinc/04/74/57/557047457.db2.gz BUVZCBKWSFPUBA-XNTDXEJSSA-N -1 0 417.223 4.854 50 10 HJCARM O=C([O-])[C@@H]1Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2[C@@H]2C=CC[C@H]21 ZINC000004371930 558473181 /nfs/dbraw/zinc/47/31/81/558473181.db2.gz FXXMVOQVYPYDOI-SNUQEOBHSA-N -1 0 403.265 4.784 50 10 HJCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 ZINC000017112205 558822642 /nfs/dbraw/zinc/82/26/42/558822642.db2.gz KERPMRRKPNKDLJ-LDADJPATSA-N -1 0 406.825 4.779 50 10 HJCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Sc2ccccc2)o1 ZINC000017162104 558824527 /nfs/dbraw/zinc/82/45/27/558824527.db2.gz WLNAAQCSGIJNLH-ATVHPVEESA-N -1 0 424.865 4.955 50 10 HJCARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000005521028 560605290 /nfs/dbraw/zinc/60/52/90/560605290.db2.gz FLABBQJEKAYFOP-MOSHPQCFSA-N -1 0 400.482 4.618 50 10 HJCARM COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000003280197 560887005 /nfs/dbraw/zinc/88/70/05/560887005.db2.gz IOVMYYITWFVNTD-UNOMPAQXSA-N -1 0 421.499 4.952 50 10 HJCARM O=C(N[C@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1[O-])C1CCCCC1 ZINC000020032798 568586540 /nfs/dbraw/zinc/58/65/40/568586540.db2.gz PGQBDNDYKVETGQ-SFHVURJKSA-N -1 0 411.483 4.696 50 10 HJCARM O=C([N-]N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S)c1cccs1 ZINC000009232359 571239822 /nfs/dbraw/zinc/23/98/22/571239822.db2.gz GNDOJRNCCZHAOG-WUXMJOGZSA-N -1 0 415.348 4.601 50 10 HJCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C2=O)cc1Cl ZINC000009322175 132338656 /nfs/dbraw/zinc/33/86/56/132338656.db2.gz ACSGMTPBPUXPTB-BOPFTXTBSA-N -1 0 424.815 4.714 50 10 HJCARM O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000000669302 557047522 /nfs/dbraw/zinc/04/75/22/557047522.db2.gz BRKPIYXJDNCOEP-XNTDXEJSSA-N -1 0 417.223 4.854 50 10 HJCARM Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)cc2Cl)cc1 ZINC000000991638 557134788 /nfs/dbraw/zinc/13/47/88/557134788.db2.gz ZXYYGRIENOQXDV-UHFFFAOYSA-N -1 0 407.809 4.940 50 10 HJCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl ZINC000004471218 558598992 /nfs/dbraw/zinc/59/89/92/558598992.db2.gz FIMIUNBFNALXKF-BKUYFWCQSA-N -1 0 418.880 4.689 50 10 HJCARM O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)o2)c1 ZINC000016267715 558782444 /nfs/dbraw/zinc/78/24/44/558782444.db2.gz MBQWDDBCONADJY-YVLHZVERSA-N -1 0 411.460 4.639 50 10 HJCARM COc1cc(C=C2C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000004679185 558890270 /nfs/dbraw/zinc/89/02/70/558890270.db2.gz FIXGSDKZRZXEFM-UYRXBGFRSA-N -1 0 418.424 4.715 50 10 HJCARM CC(=O)c1cccc(N[C@H](c2cc([N+](=O)[O-])ccc2[O-])n2cnc3ccccc32)c1 ZINC000096602209 558981364 /nfs/dbraw/zinc/98/13/64/558981364.db2.gz CNYZJWJFMMCNBF-QFIPXVFZSA-N -1 0 402.410 4.512 50 10 HJCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000004747571 559046042 /nfs/dbraw/zinc/04/60/42/559046042.db2.gz MVKCPUZUBYPSCV-GULXKOIASA-N -1 0 407.900 4.664 50 10 HJCARM COc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)o2)cc1 ZINC000020324508 568599221 /nfs/dbraw/zinc/59/92/21/568599221.db2.gz FHTHRYATBGCJPO-AQTBWJFISA-N -1 0 420.446 4.946 50 10 HJCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000002700765 568801700 /nfs/dbraw/zinc/80/17/00/568801700.db2.gz BMSIUYNXHXLUPO-GDNBJRDFSA-N -1 0 407.900 4.666 50 10 HJCARM CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002998930 568836675 /nfs/dbraw/zinc/83/66/75/568836675.db2.gz UJVKVMVMEOBSPC-IBGZPJMESA-N -1 0 413.861 4.898 50 10 HJCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000001274370 568910229 /nfs/dbraw/zinc/91/02/29/568910229.db2.gz CURLGUIQFYSJEN-BKUYFWCQSA-N -1 0 417.440 4.736 50 10 HJCARM Cc1oc2c(ccc([O-])c2CN2C[C@H](C)O[C@@H](C)C2)c(=O)c1-c1ccccc1Cl ZINC000014182632 569258812 /nfs/dbraw/zinc/25/88/12/569258812.db2.gz BHFGZDIJYNCEKK-KBPBESRZSA-N -1 0 413.901 4.737 50 10 HJCARM Cc1ccc(Sc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)o2)cc1 ZINC000012345673 132358897 /nfs/dbraw/zinc/35/88/97/132358897.db2.gz DZPHHBDHKRDCJZ-UYRXBGFRSA-N -1 0 418.474 4.714 50 10 HJCARM CCc1cccc2c(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)c[nH]c21 ZINC000007166249 557736389 /nfs/dbraw/zinc/73/63/89/557736389.db2.gz VSCPMWQXCJHKHK-WJDWOHSUSA-N -1 0 402.541 4.577 50 10 HJCARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCCCC2 ZINC000002765238 557756570 /nfs/dbraw/zinc/75/65/70/557756570.db2.gz INLYLINKPDKDEZ-GJZGRUSLSA-N -1 0 419.543 4.579 50 10 HJCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(F)cc1 ZINC000100506113 559135899 /nfs/dbraw/zinc/13/58/99/559135899.db2.gz MIZNEWGKYAMVQM-AWZKZOKMSA-N -1 0 424.417 4.732 50 10 HJCARM O=C([O-])C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000005214741 560542900 /nfs/dbraw/zinc/54/29/00/560542900.db2.gz NRHSSNNUTAQMQT-HEUOVEHFSA-N -1 0 403.912 4.757 50 10 HJCARM COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000095949644 560558625 /nfs/dbraw/zinc/55/86/25/560558625.db2.gz IOVMYYITWFVNTD-XDHOZWIPSA-N -1 0 421.499 4.952 50 10 HJCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000005485363 560597089 /nfs/dbraw/zinc/59/70/89/560597089.db2.gz AQEYESZBGLCPIU-GULXKOIASA-N -1 0 407.900 4.664 50 10 HJCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000002873661 568813864 /nfs/dbraw/zinc/81/38/64/568813864.db2.gz OEADRPRJNCGXTH-VKJFTORMSA-N -1 0 417.246 4.816 50 10 HJCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc([N+](=O)[O-])c1 ZINC000252628350 569051369 /nfs/dbraw/zinc/05/13/69/569051369.db2.gz SOGVFRJWAJIJTC-KRWDZBQOSA-N -1 0 406.427 4.593 50 10 HJCARM Cc1ccc(Sc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)o2)cc1 ZINC000013940424 569425011 /nfs/dbraw/zinc/42/50/11/569425011.db2.gz LUWUJCLHJSRVKC-UYRXBGFRSA-N -1 0 418.474 4.714 50 10 HJCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 ZINC000002286129 132251531 /nfs/dbraw/zinc/25/15/31/132251531.db2.gz FQRTWNBFYINCFT-XMHGGMMESA-N -1 0 416.408 4.911 50 10 HJCARM CCCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000002399201 132254068 /nfs/dbraw/zinc/25/40/68/132254068.db2.gz QTDSJRZLQVGDGJ-FOWTUZBSSA-N -1 0 407.857 4.576 50 10 HJCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000009016088 132335038 /nfs/dbraw/zinc/33/50/38/132335038.db2.gz JUUTZWNPLVBEQM-UDWIEESQSA-N -1 0 403.413 4.740 50 10 HJCARM CCCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000009424225 132339815 /nfs/dbraw/zinc/33/98/15/132339815.db2.gz DOTTWLQCXBZYKV-FOWTUZBSSA-N -1 0 423.925 4.536 50 10 HJCARM O=C1[N-]N(c2ccc(Cl)c(F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000032099672 527080783 /nfs/dbraw/zinc/08/07/83/527080783.db2.gz CQQLKPSUJXPKIW-GDNBJRDFSA-N -1 0 417.223 4.854 50 10 HJCARM Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000000640806 557032634 /nfs/dbraw/zinc/03/26/34/557032634.db2.gz BJVRPCDLKXNJDL-KGENOOAVSA-N -1 0 418.880 4.689 50 10 HJCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(Br)cc2)cc1 ZINC000001151553 557211367 /nfs/dbraw/zinc/21/13/67/557211367.db2.gz JHSNJSCMBSFJOY-UHFFFAOYSA-N -1 0 400.272 4.933 50 10 HJCARM CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)cc1 ZINC000001236392 557250244 /nfs/dbraw/zinc/25/02/44/557250244.db2.gz XJVCXTCRKZYGND-AQTBWJFISA-N -1 0 412.536 4.637 50 10 HJCARM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 ZINC000016311129 558785321 /nfs/dbraw/zinc/78/53/21/558785321.db2.gz XOPDUCWADDMUGY-PDGQHHTCSA-N -1 0 412.367 4.735 50 10 HJCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000017091910 558820372 /nfs/dbraw/zinc/82/03/72/558820372.db2.gz LSRKKSQGFAMUAG-CVEARBPZSA-N -1 0 419.543 4.579 50 10 HJCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000013687990 558855211 /nfs/dbraw/zinc/85/52/11/558855211.db2.gz CBXOHSKAYOMVEB-NDENLUEZSA-N -1 0 421.403 4.879 50 10 HJCARM Cc1cc(C)c(NC=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C(F)(F)F)c(C)c1 ZINC000103901249 560844912 /nfs/dbraw/zinc/84/49/12/560844912.db2.gz ARYUCRNQOVOHEW-MHWRWJLKSA-N -1 0 418.375 4.781 50 10 HJCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1O ZINC000034234768 568533642 /nfs/dbraw/zinc/53/36/42/568533642.db2.gz VZOLOJKYZHNPFU-WDZFZDKYSA-N -1 0 421.236 4.523 50 10 HJCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000016160906 569029529 /nfs/dbraw/zinc/02/95/29/569029529.db2.gz OLNNACFJQWIAQB-ZSOIEALJSA-N -1 0 419.662 4.607 50 10 HJCARM O=C([O-])CCc1ccc(-c2cccs2)n1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000009094819 571220537 /nfs/dbraw/zinc/22/05/37/571220537.db2.gz BVWJQTRZQAMJKD-UHFFFAOYSA-N -1 0 422.428 4.891 50 10 HJCARM CC(C)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000002335806 132252855 /nfs/dbraw/zinc/25/28/55/132252855.db2.gz PPAONIPTQAXLMD-WOJGMQOQSA-N -1 0 407.857 4.542 50 10 HJCARM O=C([O-])CN1C(=O)/C(=C\c2ccccc2Sc2ccc(Cl)cc2)SC1=S ZINC000002188989 557324903 /nfs/dbraw/zinc/32/49/03/557324903.db2.gz WPYVSDABZGXBEF-OQLLNIDSSA-N -1 0 421.952 4.777 50 10 HJCARM O=C([O-])c1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000033305834 558765935 /nfs/dbraw/zinc/76/59/35/558765935.db2.gz JKPDJPWIEDDMBN-ZSOIEALJSA-N -1 0 420.309 4.553 50 10 HJCARM CCOC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000017091911 558820360 /nfs/dbraw/zinc/82/03/60/558820360.db2.gz LSRKKSQGFAMUAG-HOTGVXAUSA-N -1 0 419.543 4.579 50 10 HJCARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4OC)c3=O)n2)cc1 ZINC000100510797 559136000 /nfs/dbraw/zinc/13/60/00/559136000.db2.gz HBVLUQWUPDXMJW-FYTMPNSFSA-N -1 0 421.482 4.702 50 10 HJCARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1[N+](=O)[O-] ZINC000100510965 559136129 /nfs/dbraw/zinc/13/61/29/559136129.db2.gz XRDBZTDYKLTNQC-CCWVLBSLSA-N -1 0 420.454 4.902 50 10 HJCARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(F)cc4)c3=O)n2)cc1 ZINC000100510861 559136141 /nfs/dbraw/zinc/13/61/41/559136141.db2.gz SGGLOCKPIPARBG-FTGFMQHASA-N -1 0 409.446 4.833 50 10 HJCARM CCOC(=O)c1c2c(sc1N=Cc1c(C)[n-]n(-c3ccccc3)c1=O)CCCCC2 ZINC000102658901 559151707 /nfs/dbraw/zinc/15/17/07/559151707.db2.gz JLZCLJZLBAMYKS-NBVRZTHBSA-N -1 0 423.538 4.912 50 10 HJCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(F)cc1F ZINC000095478095 568631482 /nfs/dbraw/zinc/63/14/82/568631482.db2.gz RZCPUMMVEADJRX-UHFFFAOYSA-N -1 0 411.364 4.974 50 10 HJCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S ZINC000001054996 568764275 /nfs/dbraw/zinc/76/42/75/568764275.db2.gz MUONFKWHAMHQSG-SDQBBNPISA-N -1 0 414.291 4.539 50 10 HJCARM O=C([O-])[C@@H]1Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2[C@@H]2C=CC[C@@H]21 ZINC000001112275 568770956 /nfs/dbraw/zinc/77/09/56/568770956.db2.gz FXXMVOQVYPYDOI-FHSNZYRGSA-N -1 0 403.265 4.784 50 10 HJCARM Cc1nc2c(C(=O)NCCC3=CCCCC3)c[n-]n2c(=O)c1Cc1ccccc1Cl ZINC000003042659 568848099 /nfs/dbraw/zinc/84/80/99/568848099.db2.gz QGDLEDCHLQIIRR-UHFFFAOYSA-N -1 0 424.932 4.608 50 10 HJCARM COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)ccc1OC(C)C ZINC000217678225 568905046 /nfs/dbraw/zinc/90/50/46/568905046.db2.gz MXZBXYIXNBPZSI-UHFFFAOYSA-N -1 0 405.410 4.731 50 10 biogenic HJCARM O=c1c(N=Nc2ccc(O)cc2Cl)c(Nc2ccccc2)[n-]n1-c1ccccc1 ZINC000038177930 568975166 /nfs/dbraw/zinc/97/51/66/568975166.db2.gz JFOBTTSYUUNDBN-ZFZZVZNFSA-N -1 0 405.845 4.970 50 10 HJCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000002025944 569012638 /nfs/dbraw/zinc/01/26/38/569012638.db2.gz IRNIRFQMWORVLH-MLPAPPSSSA-N -1 0 414.291 4.539 50 10 HJCARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)OC(C)C)C1 ZINC000239377577 569054268 /nfs/dbraw/zinc/05/42/68/569054268.db2.gz OCIKZZVAZLUVMG-QLFBSQMISA-N -1 0 421.559 4.658 50 10 HJCARM O=C([O-])CN1C(=O)/C(=C/c2ccccc2Sc2ccc(Cl)cc2)SC1=S ZINC000002188990 569293647 /nfs/dbraw/zinc/29/36/47/569293647.db2.gz WPYVSDABZGXBEF-DHDCSXOGSA-N -1 0 421.952 4.777 50 10 HJCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc([N+](=O)[O-])c1 ZINC000252628351 569311323 /nfs/dbraw/zinc/31/13/23/569311323.db2.gz SOGVFRJWAJIJTC-QGZVFWFLSA-N -1 0 406.427 4.593 50 10 HJCARM COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000008971272 571197271 /nfs/dbraw/zinc/19/72/71/571197271.db2.gz LKGYPZUZOPLRRE-NTEUORMPSA-N -1 0 405.237 4.504 50 10 HJCARM CCc1ccccc1N1C(=O)/C(=C\c2cc(C)n(C3CCCC3)c2C)C(=O)[N-]C1=S ZINC000004738850 132286309 /nfs/dbraw/zinc/28/63/09/132286309.db2.gz DPSAMELFLUKCEX-ZHZULCJRSA-N -1 0 421.566 4.614 50 10 HJCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc([C@@H](C)CC)cc3)C2=O)ccc1O ZINC000008772102 535659416 /nfs/dbraw/zinc/65/94/16/535659416.db2.gz HHBWYUJXLBEUPU-HIXWQLQUSA-N -1 0 408.454 4.811 50 10 HJCARM COc1ccc(N2C(=O)C(=Cc3cn(C(C)C)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000002373834 536659177 /nfs/dbraw/zinc/65/91/77/536659177.db2.gz IQWOADPEBNULID-UNOMPAQXSA-N -1 0 419.506 4.902 50 10 HJCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C[C@@H](C(C)(C)C)CC2 ZINC000004614196 557572578 /nfs/dbraw/zinc/57/25/78/557572578.db2.gz BQUYVTSRZJNFJW-MJBXVCDLSA-N -1 0 421.559 4.515 50 10 HJCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(OC)c1 ZINC000033335843 559063578 /nfs/dbraw/zinc/06/35/78/559063578.db2.gz JHUMIMKREBETEA-AQTBWJFISA-N -1 0 423.538 4.521 50 10 HJCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000095276486 559079571 /nfs/dbraw/zinc/07/95/71/559079571.db2.gz HTQMMHWWMFAMBE-UNOMPAQXSA-N -1 0 406.873 4.654 50 10 HJCARM CC(C)(C)c1ccc(OC(=O)c2ccc3c(c2O)C(=O)c2ccccc2C3=O)cc1 ZINC000004891443 559198480 /nfs/dbraw/zinc/19/84/80/559198480.db2.gz WMIADJGQTICWHB-UHFFFAOYSA-N -1 0 400.430 4.684 50 10 HJCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000100725787 559260263 /nfs/dbraw/zinc/26/02/63/559260263.db2.gz ACZAICVATKNZFL-PXLXIMEGSA-N -1 0 412.445 4.770 50 10 HJCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)c1 ZINC000005174101 559288252 /nfs/dbraw/zinc/28/82/52/559288252.db2.gz LYXOEGSDTZRGIQ-CPNJWEJPSA-N -1 0 412.401 4.764 50 10 HJCARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000005504562 560598576 /nfs/dbraw/zinc/59/85/76/560598576.db2.gz UZVZXLCTIAXWSE-LPYMAVHISA-N -1 0 400.482 4.618 50 10 HJCARM Cc1ccc(C2=NN[C@H](c3cc(Br)cc(Br)c3[O-])C2)cc1 ZINC000005546097 560607651 /nfs/dbraw/zinc/60/76/51/560607651.db2.gz BTBGYDXXJQUSMY-HNNXBMFYSA-N -1 0 410.109 4.664 50 10 HJCARM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc2ccccc12 ZINC000001171283 560727535 /nfs/dbraw/zinc/72/75/35/560727535.db2.gz ZSEWHPJWHBLJOP-MHWRWJLKSA-N -1 0 411.244 4.813 50 10 HJCARM Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000103990977 560846590 /nfs/dbraw/zinc/84/65/90/560846590.db2.gz ZIBHMEOKOOPISH-LPYMAVHISA-N -1 0 400.482 4.618 50 10 HJCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1c(F)cccc1Cl ZINC000000666019 568460162 /nfs/dbraw/zinc/46/01/62/568460162.db2.gz GLHBETCYNLIMDV-GHRIWEEISA-N -1 0 422.843 4.520 50 10 HJCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S ZINC000001054993 568764290 /nfs/dbraw/zinc/76/42/90/568764290.db2.gz MUONFKWHAMHQSG-WUXMJOGZSA-N -1 0 414.291 4.539 50 10 HJCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1O ZINC000038180873 568976422 /nfs/dbraw/zinc/97/64/22/568976422.db2.gz ZZTGLCLOPSQQAH-ZSOIEALJSA-N -1 0 414.845 4.568 50 10 HJCARM N=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000008721905 571107236 /nfs/dbraw/zinc/10/72/36/571107236.db2.gz AMBGBMZYKCQXSO-FYWBKXHBSA-N -1 0 423.325 4.898 50 10 HJCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008767818 571116024 /nfs/dbraw/zinc/11/60/24/571116024.db2.gz GKCMJADOHONDBR-BOPFTXTBSA-N -1 0 421.340 4.501 50 10 HJCARM CCCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000009088454 132335690 /nfs/dbraw/zinc/33/56/90/132335690.db2.gz VPCKCZYMICXYEE-LDADJPATSA-N -1 0 407.857 4.576 50 10 HJCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S ZINC000032594006 527578649 /nfs/dbraw/zinc/57/86/49/527578649.db2.gz FYZZPIYKKJJFAG-SFQUDFHCSA-N -1 0 419.499 4.932 50 10 HJCARM Cc1ccccc1COc1ccc(Cl)cc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O ZINC000000640803 557032575 /nfs/dbraw/zinc/03/25/75/557032575.db2.gz XKMHTTVJXNITFH-KGENOOAVSA-N -1 0 418.880 4.689 50 10 HJCARM O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000001271145 557253307 /nfs/dbraw/zinc/25/33/07/557253307.db2.gz VZDIEMVRQWTFKY-XNTDXEJSSA-N -1 0 407.900 4.666 50 10 HJCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000007813372 557762803 /nfs/dbraw/zinc/76/28/03/557762803.db2.gz KXQATLCFFYOEKX-DWKHYPNZSA-N -1 0 405.472 4.540 50 10 HJCARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000036033810 558796753 /nfs/dbraw/zinc/79/67/53/558796753.db2.gz MWADWKMBLUSMDP-NDENLUEZSA-N -1 0 420.900 4.963 50 10 HJCARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(F)cc4)c3=O)n2)cc1 ZINC000100510858 559136086 /nfs/dbraw/zinc/13/60/86/559136086.db2.gz SGGLOCKPIPARBG-IUBFCHALSA-N -1 0 409.446 4.833 50 10 HJCARM CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccccc3C(=O)[O-])SC2=S)cc1 ZINC000005214736 560542926 /nfs/dbraw/zinc/54/29/26/560542926.db2.gz HFLBHEPAHSEKIM-AQTBWJFISA-N -1 0 412.536 4.637 50 10 HJCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000005417095 560584765 /nfs/dbraw/zinc/58/47/65/560584765.db2.gz HTQMMHWWMFAMBE-XDHOZWIPSA-N -1 0 406.873 4.654 50 10 HJCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S ZINC000003044024 568848341 /nfs/dbraw/zinc/84/83/41/568848341.db2.gz DEKAKJMQCBGNOB-AWNIVKPZSA-N -1 0 414.291 4.539 50 10 HJCARM O=S(=O)([N-]c1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(Cl)cc1F ZINC000008036112 568969752 /nfs/dbraw/zinc/96/97/52/568969752.db2.gz VHSYAODJWIZEOK-UHFFFAOYSA-N -1 0 404.822 4.682 50 10 HJCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S ZINC000054360595 569072193 /nfs/dbraw/zinc/07/21/93/569072193.db2.gz LFJCUSUUDNNXSL-FBKCMUNRSA-N -1 0 405.472 4.540 50 10 HJCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000017251901 569276991 /nfs/dbraw/zinc/27/69/91/569276991.db2.gz YUHBOEODYHXMRJ-HMAPJEAMSA-N -1 0 413.477 4.582 50 10 HJCARM Cc1cc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000027572677 569374688 /nfs/dbraw/zinc/37/46/88/569374688.db2.gz OKSNHMFJDCEMAF-WQRHYEAKSA-N -1 0 412.511 4.513 50 10 HJCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S ZINC000040144914 571195001 /nfs/dbraw/zinc/19/50/01/571195001.db2.gz GPHSHLXMWBKRJT-ATVHPVEESA-N -1 0 419.499 4.932 50 10 HJCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1c2ccccc2cc2ccccc21 ZINC000002277461 132251384 /nfs/dbraw/zinc/25/13/84/132251384.db2.gz OQCVRBFBFQSRRI-XSFVSMFZSA-N -1 0 410.404 4.799 50 10 HJCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000005024781 132298756 /nfs/dbraw/zinc/29/87/56/132298756.db2.gz OTCLIHGIDCLIND-DBZAVIBRSA-N -1 0 419.525 4.713 50 10 HJCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCCC4)cc3)C2=O)c1 ZINC000006276219 132310136 /nfs/dbraw/zinc/31/01/36/132310136.db2.gz FAPFRWHIBAGDAI-PGMHBOJBSA-N -1 0 403.482 4.882 50 10 HJCARM CCCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000005100864 535594888 /nfs/dbraw/zinc/59/48/88/535594888.db2.gz KFMGFIWQHGYAKJ-FOWTUZBSSA-N -1 0 407.470 4.862 50 10 HJCARM CC(C)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O ZINC000002840180 557400404 /nfs/dbraw/zinc/40/04/04/557400404.db2.gz PZEGVYYEOPZIGI-PXNMLYILSA-N -1 0 405.859 4.991 50 10 HJCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000004747573 557592113 /nfs/dbraw/zinc/59/21/13/557592113.db2.gz XORUVTKTHXDEIZ-NCPSJORJSA-N -1 0 407.900 4.664 50 10 HJCARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000005859394 557677688 /nfs/dbraw/zinc/67/76/88/557677688.db2.gz QTZKGAGNGPTZCE-DTCSVVGVSA-N -1 0 404.340 4.694 50 10 HJCARM CCCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000002801774 557762889 /nfs/dbraw/zinc/76/28/89/557762889.db2.gz SBKAVKFUPLSCTI-HZPDHXFCSA-N -1 0 419.543 4.579 50 10 HJCARM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000019732329 558259893 /nfs/dbraw/zinc/25/98/93/558259893.db2.gz JTMNDQQKGZIBLZ-MOSHPQCFSA-N -1 0 400.482 4.618 50 10 HJCARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4OC)c3=O)n2)cc1 ZINC000012275722 558363928 /nfs/dbraw/zinc/36/39/28/558363928.db2.gz HBVLUQWUPDXMJW-SMIQVMJNSA-N -1 0 421.482 4.702 50 10 HJCARM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000015277350 558730349 /nfs/dbraw/zinc/73/03/49/558730349.db2.gz WZFTWZSRWBWYHR-CIAFOILYSA-N -1 0 421.884 4.507 50 10 HJCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000005342529 560567998 /nfs/dbraw/zinc/56/79/98/560567998.db2.gz BXJICSPKQSEPNG-MTJSOVHGSA-N -1 0 420.900 4.963 50 10 HJCARM Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(Br)cc3)n2)cc1 ZINC000001201043 560727841 /nfs/dbraw/zinc/72/78/41/560727841.db2.gz PMKUKGRPSJCREC-UHFFFAOYSA-N -1 0 409.330 4.682 50 10 HJCARM O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000146467177 569031421 /nfs/dbraw/zinc/03/14/21/569031421.db2.gz ZTCFLIAQZSENEG-UFYHVXEKSA-N -1 0 414.255 4.703 50 10 HJCARM Cc1sc([N-]S(=O)(=O)c2ccc(F)cc2Cl)nc1-c1ccc(F)cc1 ZINC000170593219 569241110 /nfs/dbraw/zinc/24/11/10/569241110.db2.gz DRIKTRXPECGFQP-UHFFFAOYSA-N -1 0 400.859 4.851 50 10 HJCARM