smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000059135319 195389908 /nfs/dbraw/zinc/38/99/08/195389908.db2.gz PTFXRBNSIDYBOF-UDWIEESQSA-N -1 2 461.449 4.747 40 10 JJCBLM O=C([O-])c1ccc(COc2ccccc2C=C2C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 ZINC000026465044 556254837 /nfs/dbraw/zinc/25/48/37/556254837.db2.gz HCBYFPGXSLORAO-QGOAFFKASA-N -1 2 460.417 4.610 40 10 JJCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1C ZINC000408762307 570037077 /nfs/dbraw/zinc/03/70/77/570037077.db2.gz JYYIXXVDHINLFE-WOJGMQOQSA-N -1 2 464.861 4.581 40 10 JJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)cc1 ZINC000408985074 570091959 /nfs/dbraw/zinc/09/19/59/570091959.db2.gz UWZQDXHUYJODLO-PDGQHHTCSA-N -1 2 464.861 4.527 40 10 JJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000408985098 570091981 /nfs/dbraw/zinc/09/19/81/570091981.db2.gz VFHJXHPANDAICU-JAIQZWGSSA-N -1 2 491.931 4.729 40 10 JJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409203309 570166372 /nfs/dbraw/zinc/16/63/72/570166372.db2.gz WINNSLGYJQYTMQ-LICLKQGHSA-N -1 2 498.322 4.766 40 10 JJCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000409245542 570184002 /nfs/dbraw/zinc/18/40/02/570184002.db2.gz VKWWXYNJDRZKBA-XNTDXEJSSA-N -1 2 485.279 4.926 40 10 JJCBLM O=C([O-])c1ccc(COc2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2)cc1 ZINC000059135114 195389697 /nfs/dbraw/zinc/38/96/97/195389697.db2.gz REYRILFTDKRKKU-FYJGNVAPSA-N -1 2 460.417 4.610 40 10 JJCBLM O=C([O-])c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000408852342 570055832 /nfs/dbraw/zinc/05/58/32/570055832.db2.gz JTGGOZPHDNBTNV-FSJBWODESA-N -1 2 470.525 4.519 40 10 JJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1 ZINC000408982572 570091160 /nfs/dbraw/zinc/09/11/60/570091160.db2.gz HYXMDGGQQIHBMQ-PDGQHHTCSA-N -1 2 464.861 4.527 40 10 JJCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000409041097 570107496 /nfs/dbraw/zinc/10/74/96/570107496.db2.gz IHCONMFMKYIWOT-UYRXBGFRSA-N -1 2 490.899 4.592 40 10 JJCBLM Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3ccccc3)c(C(=O)[O-])c2)C1=O ZINC000409057730 570112598 /nfs/dbraw/zinc/11/25/98/570112598.db2.gz QNDYVCSFLLZYNE-NDENLUEZSA-N -1 2 490.899 4.592 40 10 JJCBLM O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1Cl ZINC000016385938 526359110 /nfs/dbraw/zinc/35/91/10/526359110.db2.gz UUJIHSLMJUTLMM-DHDCSXOGSA-N -1 2 480.816 4.534 40 10 JJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)cc3)C2=O)cc1 ZINC000408936328 570081489 /nfs/dbraw/zinc/08/14/89/570081489.db2.gz FPUJPIJGGQKYDY-PCLIKHOPSA-N -1 2 492.487 4.783 40 10 JJCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc4ccccc43)C2=O)cc1 ZINC000408938596 570082074 /nfs/dbraw/zinc/08/20/74/570082074.db2.gz LDMNURRLICYVEO-LFVJCYFKSA-N -1 2 492.487 4.783 40 10 JJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000409095018 570126293 /nfs/dbraw/zinc/12/62/93/570126293.db2.gz AVIRQOAOAAXOFB-GZTJUZNOSA-N -1 2 498.322 4.766 40 10 JJCBLM COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000033321559 521959663 /nfs/dbraw/zinc/95/96/63/521959663.db2.gz CGPBDIKUCQOWOH-BKUYFWCQSA-N -1 2 486.480 4.788 40 10 JJCBLM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000002269102 554126153 /nfs/dbraw/zinc/12/61/53/554126153.db2.gz URAZTGNIHXNUKK-RVDMUPIBSA-N -1 2 464.890 4.627 40 10 JJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000408784198 570042421 /nfs/dbraw/zinc/04/24/21/570042421.db2.gz UMPXPBRAGXZCFO-RGVLZGJSSA-N -1 2 491.931 4.729 40 10 JJCBLM Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O ZINC000409064355 570115829 /nfs/dbraw/zinc/11/58/29/570115829.db2.gz CQMRXGMYYAXEEF-CIAFOILYSA-N -1 2 490.899 4.592 40 10 JJCBLM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)o1 ZINC000409102960 570129096 /nfs/dbraw/zinc/12/90/96/570129096.db2.gz UWXYATFKAXWFLJ-XNTDXEJSSA-N -1 2 485.279 4.926 40 10 JJCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O ZINC000409221098 570174451 /nfs/dbraw/zinc/17/44/51/570174451.db2.gz KVFXVOQRQZRWEL-GZTJUZNOSA-N -1 2 464.861 4.581 40 10 JJCBLM O=C([O-])c1ccc(COc2ccccc2C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000059135653 195390581 /nfs/dbraw/zinc/39/05/81/195390581.db2.gz OJGUSAWJMVYASR-DEDYPNTBSA-N -1 2 460.417 4.610 40 10 JJCBLM CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000002789005 554345504 /nfs/dbraw/zinc/34/55/04/554345504.db2.gz VTKVTNMCYFDSLS-SFQUDFHCSA-N -1 2 464.861 4.527 40 10 JJCBLM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000107876354 569857725 /nfs/dbraw/zinc/85/77/25/569857725.db2.gz OWYPTOUECRSIPO-ZDLGFXPLSA-N -1 2 483.307 4.732 40 10 JJCBLM CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000408773155 570039495 /nfs/dbraw/zinc/03/94/95/570039495.db2.gz PLTKAPFWCYYALC-SFQUDFHCSA-N -1 2 464.861 4.527 40 10 JJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000408858971 570057034 /nfs/dbraw/zinc/05/70/34/570057034.db2.gz VCYJVMXALJOAEK-RGVLZGJSSA-N -1 2 491.931 4.729 40 10 JJCBLM Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408937057 570081662 /nfs/dbraw/zinc/08/16/62/570081662.db2.gz HPYRJYFXZAYCMS-FYJGNVAPSA-N -1 2 490.899 4.592 40 10 JJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C2=O)cc1 ZINC000408984407 570091702 /nfs/dbraw/zinc/09/17/02/570091702.db2.gz QOQIMQBPHPAYEH-MTJSOVHGSA-N -1 2 491.931 4.675 40 10 JJCBLM O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)o1 ZINC000409095486 570126504 /nfs/dbraw/zinc/12/65/04/570126504.db2.gz BHSKEVDTCKBXST-GXDHUFHOSA-N -1 2 471.252 4.618 40 10 JJCBLM O=C([O-])c1cccc(-n2cccc2C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 ZINC000015013108 555854827 /nfs/dbraw/zinc/85/48/27/555854827.db2.gz AULHXJHNYAELDO-PTNGSMBKSA-N -1 2 470.268 4.989 40 10 JJCBLM O=C([O-])c1cccc(COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Cl)c1 ZINC000033783239 569634741 /nfs/dbraw/zinc/63/47/41/569634741.db2.gz JDTCKRCRXSEYQS-ZDLGFXPLSA-N -1 2 483.307 4.732 40 10 JJCBLM Cc1nnc(NS(=O)(=O)c2ccc(NN=C3C=c4ccccc4=C(C(=O)[O-])C3=O)cc2)s1 ZINC000104123548 569841208 /nfs/dbraw/zinc/84/12/08/569841208.db2.gz FIFCPLBMHGFHAH-FCQUAONHSA-N -1 2 469.504 4.620 40 10 JJCBLM Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)c1C ZINC000408773317 570039430 /nfs/dbraw/zinc/03/94/30/570039430.db2.gz IAFOUQBLXLSONE-GZTJUZNOSA-N -1 2 464.861 4.581 40 10 JJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408847542 570054795 /nfs/dbraw/zinc/05/47/95/570054795.db2.gz NJEIQNBNZHWGGM-SRZZPIQSSA-N -1 2 491.931 4.729 40 10 JJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])ccc4Cl)c3C)C2=O)cc1 ZINC000408981651 570090918 /nfs/dbraw/zinc/09/09/18/570090918.db2.gz CEVQZSZDQRBPQI-NDENLUEZSA-N -1 2 491.931 4.675 40 10 JJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000408983674 570091438 /nfs/dbraw/zinc/09/14/38/570091438.db2.gz NIOLJIWGWFKEDN-JMIUGGIZSA-N -1 2 491.931 4.729 40 10 JJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408785090 570042724 /nfs/dbraw/zinc/04/27/24/570042724.db2.gz XZMWRCYDZYGFJB-VXLYETTFSA-N -1 2 498.322 4.766 40 10 JJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408950628 570084089 /nfs/dbraw/zinc/08/40/89/570084089.db2.gz UAEZQMOECKDSLQ-RGVLZGJSSA-N -1 2 491.931 4.729 40 10 JJCBLM Cc1nnc(NS(=O)(=O)c2ccc(NN=C3C=c4ccccc4=C(C(=O)[O-])C3=O)cc2)s1 ZINC000004972344 554484065 /nfs/dbraw/zinc/48/40/65/554484065.db2.gz FIFCPLBMHGFHAH-GHVJWSGMSA-N -1 2 469.504 4.620 40 10 JJCBLM CC(C)(C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1 ZINC000009056611 554875304 /nfs/dbraw/zinc/87/53/04/554875304.db2.gz ZEGJUTFTGFGDJU-XSFVSMFZSA-N -1 2 458.470 4.609 40 10 JJCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c1 ZINC000408760015 570036584 /nfs/dbraw/zinc/03/65/84/570036584.db2.gz PZBNNAFJNCRZLZ-WOJGMQOQSA-N -1 2 464.861 4.581 40 10 JJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000408783514 570042360 /nfs/dbraw/zinc/04/23/60/570042360.db2.gz MFTSNNDPDNIKEF-VCHYOVAHSA-N -1 2 498.322 4.766 40 10 JJCBLM O=C([O-])c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1 ZINC000408901327 570068671 /nfs/dbraw/zinc/06/86/71/570068671.db2.gz XFHYNRBATQIDDM-LPYMAVHISA-N -1 2 499.910 4.708 40 10 JJCBLM CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)C1=O ZINC000408954497 570084582 /nfs/dbraw/zinc/08/45/82/570084582.db2.gz XHJPCHXWBUPMKV-UDWIEESQSA-N -1 2 491.931 4.675 40 10 JJCBLM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)o1 ZINC000408960764 570085815 /nfs/dbraw/zinc/08/58/15/570085815.db2.gz IQXAOKKXYJCQGK-XNTDXEJSSA-N -1 2 485.279 4.926 40 10 JJCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)cc1Cl ZINC000408985703 570092183 /nfs/dbraw/zinc/09/21/83/570092183.db2.gz XUWXHBAQUMBNNL-WQRHYEAKSA-N -1 2 464.861 4.581 40 10 JJCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3ccccc3)c(C(=O)[O-])c2)C1=O ZINC000409045749 570108700 /nfs/dbraw/zinc/10/87/00/570108700.db2.gz HKYLLPOUETZRBZ-UYRXBGFRSA-N -1 2 490.899 4.592 40 10 JJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409216954 570172993 /nfs/dbraw/zinc/17/29/93/570172993.db2.gz QAONXLRNWWTOBW-LFIBNONCSA-N -1 2 498.322 4.766 40 10 JJCBLM O=C([O-])c1cc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)ccc1Cl ZINC000059106190 195389028 /nfs/dbraw/zinc/38/90/28/195389028.db2.gz VACLHMXAEFWXEP-YBEGLDIGSA-N -1 2 454.797 4.944 40 10 JJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000059248965 195396198 /nfs/dbraw/zinc/39/61/98/195396198.db2.gz IUWMCBRVQCQGOT-VXLYETTFSA-N -1 2 498.322 4.766 40 10 JJCBLM CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)C1=O ZINC000059249622 195396206 /nfs/dbraw/zinc/39/62/06/195396206.db2.gz GPPQAUPELCVIMW-UDWIEESQSA-N -1 2 491.931 4.675 40 10 JJCBLM Cc1coc(NS(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)c1C ZINC000104090788 569840778 /nfs/dbraw/zinc/84/07/78/569840778.db2.gz VTBIFCVXKRUQCC-BBJJLJPOSA-N -1 2 451.508 4.572 40 10 JJCBLM Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2Cl)cc1 ZINC000408943313 570083093 /nfs/dbraw/zinc/08/30/93/570083093.db2.gz RPPLQHVJISJDLW-UDWIEESQSA-N -1 2 490.899 4.592 40 10 JJCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cccc(OCc3ccc(C(=O)[O-])cc3)c2)C1=O ZINC000409069115 570117617 /nfs/dbraw/zinc/11/76/17/570117617.db2.gz CBRFXXHSJTZRNY-MOSHPQCFSA-N -1 2 490.899 4.592 40 10 JJCBLM O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1Cl ZINC000207084799 569874744 /nfs/dbraw/zinc/87/47/44/569874744.db2.gz UUJIHSLMJUTLMM-OQLLNIDSSA-N -1 2 480.816 4.534 40 10 JJCBLM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)o1 ZINC000408961262 570086024 /nfs/dbraw/zinc/08/60/24/570086024.db2.gz LXGBQTVLOUHLJM-MHWRWJLKSA-N -1 2 485.279 4.926 40 10 JJCBLM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000408961843 570086327 /nfs/dbraw/zinc/08/63/27/570086327.db2.gz OLYYTUKDQGYJDQ-MHWRWJLKSA-N -1 2 485.279 4.926 40 10 JJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000409245316 570183805 /nfs/dbraw/zinc/18/38/05/570183805.db2.gz QSYWNANHKSEWRQ-YBFXNURJSA-N -1 2 491.931 4.729 40 10 JJCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)cc1Cl ZINC000409331321 570204327 /nfs/dbraw/zinc/20/43/27/570204327.db2.gz AQHBAKYLUDDBQS-WQRHYEAKSA-N -1 2 464.861 4.581 40 10 JJCBLM O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)cc1Cl ZINC000059135406 195389912 /nfs/dbraw/zinc/38/99/12/195389912.db2.gz FYUIZXHIXQDNPL-MHWRWJLKSA-N -1 2 454.797 4.944 40 10 JJCBLM O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)c([O-])c(Cl)c1 ZINC000038173184 569800019 /nfs/dbraw/zinc/80/00/19/569800019.db2.gz OFMIVWNZGWAYEX-VZUCSPMQSA-N -1 2 456.079 4.968 40 10 JJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408813763 570049798 /nfs/dbraw/zinc/04/97/98/570049798.db2.gz DPJPRBYUFIPADK-RGVLZGJSSA-N -1 2 491.931 4.729 40 10 JJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408952652 570084315 /nfs/dbraw/zinc/08/43/15/570084315.db2.gz VMHYSMDGQCDJAX-DJKKODMXSA-N -1 2 498.322 4.766 40 10 JJCBLM Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cccc(OCc3ccc(C(=O)[O-])cc3)c2)C1=O ZINC000409067624 570117040 /nfs/dbraw/zinc/11/70/40/570117040.db2.gz GNAHMFIUIMMYDL-MTJSOVHGSA-N -1 2 490.899 4.592 40 10 JJCBLM Cc1nnc(NS(=O)(=O)c2ccc(NN=C3c4ccccc4C=C(C(=O)[O-])C3=O)cc2)s1 ZINC000004972331 554484103 /nfs/dbraw/zinc/48/41/03/554484103.db2.gz UMOBZXXKVLTDIS-GHVJWSGMSA-N -1 2 469.504 4.620 40 10 JJCBLM Cc1nnc(NS(=O)(=O)c2ccc(NN=C3c4ccccc4C=C(C(=O)[O-])C3=O)cc2)s1 ZINC000104123465 569841165 /nfs/dbraw/zinc/84/11/65/569841165.db2.gz UMOBZXXKVLTDIS-FCQUAONHSA-N -1 2 469.504 4.620 40 10 JJCBLM Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)o2)cc1C(=O)[O-] ZINC000408843570 570054108 /nfs/dbraw/zinc/05/41/08/570054108.db2.gz GBWJPDULVFTDFG-MHWRWJLKSA-N -1 2 485.279 4.926 40 10 JJCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cn(Cc4cccc(C(=O)[O-])c4)c4ccccc34)C2=O)c1 ZINC000408899603 570068026 /nfs/dbraw/zinc/06/80/26/570068026.db2.gz PKZLBOMTMZHHJV-ZVHZXABRSA-N -1 2 493.519 4.671 40 10 JJCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)c(C(=O)[O-])c3)C2=O)cc1Cl ZINC000409042707 570107929 /nfs/dbraw/zinc/10/79/29/570107929.db2.gz OIAVIXFSBZGWSX-NDENLUEZSA-N -1 2 490.899 4.592 40 10 JJCBLM O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1 ZINC000409045071 570108433 /nfs/dbraw/zinc/10/84/33/570108433.db2.gz YBRNAWYCBZYDFR-VCHYOVAHSA-N -1 2 483.307 4.944 40 10 JJCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O ZINC000409069276 570117754 /nfs/dbraw/zinc/11/77/54/570117754.db2.gz IHDNTXUGCUXJLO-DEDYPNTBSA-N -1 2 490.899 4.592 40 10 JJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000059135363 195389889 /nfs/dbraw/zinc/38/98/89/195389889.db2.gz UVAWYXMFTZPOPY-UDWIEESQSA-N -1 2 461.449 4.747 40 10 JJCBLM CCCc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000013629672 555541227 /nfs/dbraw/zinc/54/12/27/555541227.db2.gz XRQUUUVEHWJXSU-PTGBLXJZSA-N -1 2 493.589 4.981 40 10 JJCBLM CCCC1=NN(c2ccccc2)C(=O)C1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000013629672 555541230 /nfs/dbraw/zinc/54/12/30/555541230.db2.gz XRQUUUVEHWJXSU-PTGBLXJZSA-N -1 2 493.589 4.981 40 10 JJCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)cc1C ZINC000408786528 570043298 /nfs/dbraw/zinc/04/32/98/570043298.db2.gz SAWCZBYTOTYZFQ-WOJGMQOQSA-N -1 2 464.861 4.581 40 10 JJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1 ZINC000408982648 570091213 /nfs/dbraw/zinc/09/12/13/570091213.db2.gz DQFZPZRLTACQKQ-LDADJPATSA-N -1 2 464.861 4.527 40 10 JJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409231214 570177756 /nfs/dbraw/zinc/17/77/56/570177756.db2.gz IUNBFLFSSKSZKT-XDHOZWIPSA-N -1 2 491.931 4.729 40 10 JJCBLM COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C2=O)cc1 ZINC000002727127 554313033 /nfs/dbraw/zinc/31/30/33/554313033.db2.gz CEHUTNOJSOMDAS-JAIQZWGSSA-N -1 2 493.903 4.961 40 10 JJCBLM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)NN(c4cccc(C(F)(F)F)c4)C3=O)o2)c1 ZINC000019418844 556347817 /nfs/dbraw/zinc/34/78/17/556347817.db2.gz SONSHLWWRZZSCP-YBEGLDIGSA-N -1 2 476.794 4.778 40 10 JJCBLM Cc1coc(NS(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)c1C ZINC000104090792 569840813 /nfs/dbraw/zinc/84/08/13/569840813.db2.gz VTBIFCVXKRUQCC-NVWMPKGRSA-N -1 2 451.508 4.572 40 10 JJCBLM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)c1 ZINC000408752111 570034491 /nfs/dbraw/zinc/03/44/91/570034491.db2.gz FWXKGRLYFPTHCI-MHWRWJLKSA-N -1 2 471.252 4.618 40 10 JJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C2=O)cc1 ZINC000408845030 570054333 /nfs/dbraw/zinc/05/43/33/570054333.db2.gz JRAHJMLWTGZUHM-CIAFOILYSA-N -1 2 491.931 4.675 40 10 JJCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1Cl ZINC000408982665 570091193 /nfs/dbraw/zinc/09/11/93/570091193.db2.gz DUBCYAVUSOAJPK-MHWRWJLKSA-N -1 2 485.279 4.926 40 10 JJCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCc4ccc(C(=O)[O-])cc4)c3)C2=O)cc1Cl ZINC000409064643 570115925 /nfs/dbraw/zinc/11/59/25/570115925.db2.gz DCEDYFUZHAOIDV-MTJSOVHGSA-N -1 2 490.899 4.592 40 10 JJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000059248444 195395772 /nfs/dbraw/zinc/39/57/72/195395772.db2.gz XFVWJHMTPQFTTC-DJKKODMXSA-N -1 2 498.322 4.766 40 10 JJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000059248177 195395956 /nfs/dbraw/zinc/39/59/56/195395956.db2.gz YCIVZMNGGSSAOS-SRZZPIQSSA-N -1 2 491.931 4.729 40 10 JJCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000033321619 523962983 /nfs/dbraw/zinc/96/29/83/523962983.db2.gz KNWFHMPOBOUQKH-AUWJEWJLSA-N -1 2 463.273 4.526 40 10 JJCBLM Cc1coc(NS(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)c1C ZINC000104090794 569840751 /nfs/dbraw/zinc/84/07/51/569840751.db2.gz VTBIFCVXKRUQCC-TWMRLEJJSA-N -1 2 451.508 4.572 40 10 JJCBLM Cc1coc(NS(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)c1C ZINC000104090783 569840832 /nfs/dbraw/zinc/84/08/32/569840832.db2.gz VTBIFCVXKRUQCC-LRVSTDGRSA-N -1 2 451.508 4.572 40 10 JJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408786980 570043360 /nfs/dbraw/zinc/04/33/60/570043360.db2.gz ZBORLFZSKJPJMG-SRZZPIQSSA-N -1 2 491.931 4.729 40 10 JJCBLM Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408846948 570054754 /nfs/dbraw/zinc/05/47/54/570054754.db2.gz KTBLTOMAROKMDT-SRZZPIQSSA-N -1 2 491.931 4.729 40 10 JJCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000409208254 570168032 /nfs/dbraw/zinc/16/80/32/570168032.db2.gz BKYBDGXXRIYGGD-LICLKQGHSA-N -1 2 498.322 4.766 40 10 JJCBLM O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)c1 ZINC000059135403 195390117 /nfs/dbraw/zinc/39/01/17/195390117.db2.gz REMOSBJXMBYDSR-MHWRWJLKSA-N -1 2 454.797 4.944 40 10 JJCBLM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)o1 ZINC000409221367 570174584 /nfs/dbraw/zinc/17/45/84/570174584.db2.gz PIYAWXYUGUQFPX-GZTJUZNOSA-N -1 2 464.861 4.581 40 10 JJCBLM Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000409231398 570177952 /nfs/dbraw/zinc/17/79/52/570177952.db2.gz CWTUROLBWXAXPO-XNTDXEJSSA-N -1 2 485.279 4.926 40 10 JJCBLM