smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NC=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c([N+](=O)[O-])cc1C ZINC000408527653 231049886 /nfs/dbraw/zinc/04/98/86/231049886.db2.gz GDDFMWLGYRXERV-GXDHUFHOSA-N 0 2 394.387 3.099 40 10 GGCBLN C[C@H]1Cc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)ccc2O1 ZINC000408710769 231103329 /nfs/dbraw/zinc/10/33/29/231103329.db2.gz JRXPUDHDOZLEOO-UJFYRASASA-N 0 2 382.803 3.330 40 10 GGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OC(C)C)c1 ZINC000408814728 231117458 /nfs/dbraw/zinc/11/74/58/231117458.db2.gz SAHHXGLSPNYLFZ-GZTJUZNOSA-N 0 2 394.427 3.457 40 10 GGCBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1N1CCCC1 ZINC000408856478 231122808 /nfs/dbraw/zinc/12/28/08/231122808.db2.gz IVNGOIJMSFEGIB-PDGQHHTCSA-N 0 2 393.418 3.401 40 10 GGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(O)c1 ZINC000408892730 231125557 /nfs/dbraw/zinc/12/55/57/231125557.db2.gz CCDYPQPRQIEMNJ-VGOFMYFVSA-N 0 2 386.791 3.029 40 10 GGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000408903366 231127538 /nfs/dbraw/zinc/12/75/38/231127538.db2.gz RRHVDMFPIMASLZ-QGOAFFKASA-N 0 2 379.391 3.092 40 10 GGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408802145 231115402 /nfs/dbraw/zinc/11/54/02/231115402.db2.gz XBEKDPQOQCCOBJ-RIYZIHGNSA-N 0 2 386.791 3.024 40 10 GGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OC(C)C)c1 ZINC000408803225 231115793 /nfs/dbraw/zinc/11/57/93/231115793.db2.gz MRGHDULVACMFLV-WOJGMQOQSA-N 0 2 394.427 3.457 40 10 GGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)c(F)c3)C2=O)c1 ZINC000409066835 231154415 /nfs/dbraw/zinc/15/44/15/231154415.db2.gz MLZKDAGYQFWHJU-SFQUDFHCSA-N 0 2 393.418 3.401 40 10 GGCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl ZINC000409199193 231178210 /nfs/dbraw/zinc/17/82/10/231178210.db2.gz BRZOCNZEQBSNOX-XYOKQWHBSA-N 0 2 377.183 3.365 40 10 GGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N(CC)CC)o2)C1=O ZINC000409223259 231183221 /nfs/dbraw/zinc/18/32/21/231183221.db2.gz DZRLRBZEUIOTPK-FYWRMAATSA-N 0 2 397.431 3.191 40 10 GGCBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2OCC)C1=O ZINC000409245087 231186986 /nfs/dbraw/zinc/18/69/86/231186986.db2.gz NETNBGBVFBYTOB-FYWRMAATSA-N 0 2 380.400 3.150 40 10 GGCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 ZINC000409393363 231200069 /nfs/dbraw/zinc/20/00/69/231200069.db2.gz QODHNODFJBQINA-SFQUDFHCSA-N 0 2 392.802 3.192 40 10 GGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408984177 529662377 /nfs/dbraw/zinc/66/23/77/529662377.db2.gz IEKYHUMGYBTHQM-ZROIWOOFSA-N 0 2 399.790 3.477 40 10 GGCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1OC(C)C ZINC000408913065 533387125 /nfs/dbraw/zinc/38/71/25/533387125.db2.gz SHRPUOZXKLNXAH-MHWRWJLKSA-N 0 2 398.390 3.288 40 10 GGCBLN COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408548827 533564552 /nfs/dbraw/zinc/56/45/52/533564552.db2.gz LSSDCIGLECDPRF-LICLKQGHSA-N 0 2 394.427 3.295 40 10 GGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000408783825 533996419 /nfs/dbraw/zinc/99/64/19/533996419.db2.gz NLNWZNUJLQGWJJ-ZROIWOOFSA-N 0 2 386.791 3.024 40 10 GGCBLN O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(O)c1 ZINC000408939413 534783949 /nfs/dbraw/zinc/78/39/49/534783949.db2.gz SHAIQVUQVROZMM-GHXNOFRVSA-N 0 2 377.183 3.365 40 10 GGCBLN O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1O ZINC000408897959 534784820 /nfs/dbraw/zinc/78/48/20/534784820.db2.gz JMSFUZAXUMNACK-YRNVUSSQSA-N 0 2 377.183 3.365 40 10 GGCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000408913923 528293091 /nfs/dbraw/zinc/29/30/91/528293091.db2.gz WBWIYCMCTWXBCY-LDADJPATSA-N 0 2 381.407 3.338 40 10 GGCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)o1 ZINC000408820403 528293370 /nfs/dbraw/zinc/29/33/70/528293370.db2.gz VVZHJXDCJKEVAA-SFQUDFHCSA-N 0 2 381.432 3.409 40 10 GGCBLN CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408814251 528334599 /nfs/dbraw/zinc/33/45/99/528334599.db2.gz OQBNNLFWYBXIHS-WOJGMQOQSA-N 0 2 394.427 3.377 40 10 GGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000408778859 528369524 /nfs/dbraw/zinc/36/95/24/528369524.db2.gz YULLROMLATWDKB-SFQUDFHCSA-N 0 2 394.427 3.459 40 10 GGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408780041 528369554 /nfs/dbraw/zinc/36/95/54/528369554.db2.gz QVEOVXPIHJGWNZ-GZTJUZNOSA-N 0 2 394.427 3.377 40 10 GGCBLN CCOc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000408532476 528481546 /nfs/dbraw/zinc/48/15/46/528481546.db2.gz MVHWHRRDNKSQEE-SDNWHVSQSA-N 0 2 385.807 3.318 40 10 GGCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408945352 528768204 /nfs/dbraw/zinc/76/82/04/528768204.db2.gz WGNJLOUCAZBUJE-FOWTUZBSSA-N 0 2 395.371 3.050 40 10 GGCBLN CCOc1ccccc1C=C1C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000096569509 535486390 /nfs/dbraw/zinc/48/63/90/535486390.db2.gz LOAJSOIWZQCVIA-NTEUORMPSA-N 0 2 380.356 3.321 40 10 GGCBLN Cc1ccc2nsnc2c1S(=O)(=O)Nc1ccc2nsnc2c1C ZINC000003011946 564192148 /nfs/dbraw/zinc/19/21/48/564192148.db2.gz RXXWVAMMAQCHDC-UHFFFAOYSA-N 0 2 377.476 3.114 40 10 GGCBLN Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3ccc(=O)[nH]c3)cc2)s1 ZINC000018323891 564301306 /nfs/dbraw/zinc/30/13/06/564301306.db2.gz MGLZJGJFDDERIS-ISLYRVAYSA-N 0 2 376.423 3.163 40 10 GGCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(O)c(Br)c1 ZINC000033668697 564414245 /nfs/dbraw/zinc/41/42/45/564414245.db2.gz XZUJQBFJQCEAIH-WDZFZDKYSA-N 0 2 393.624 3.270 40 10 GGCBLN Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3ccc(=O)[nH]c3)cc2)s1 ZINC000104124322 564953041 /nfs/dbraw/zinc/95/30/41/564953041.db2.gz MGLZJGJFDDERIS-ZCXUNETKSA-N 0 2 376.423 3.163 40 10 GGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Br)C2=O)cc1 ZINC000408776061 565615092 /nfs/dbraw/zinc/61/50/92/565615092.db2.gz LMVRLRUXUHPJJH-GXDHUFHOSA-N 0 2 385.217 3.424 40 10 GGCBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(C)=O ZINC000035104087 570284716 /nfs/dbraw/zinc/28/47/16/570284716.db2.gz OZCNINUCXOEEKI-GDNBJRDFSA-N 0 2 394.383 3.436 40 10 GGCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1coc2ccc(O)cc2c1=O ZINC000033544098 570372310 /nfs/dbraw/zinc/37/23/10/570372310.db2.gz MCHJMVLDJAIFBY-NVNXTCNLSA-N 0 2 376.324 3.005 40 10 GGCBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000038160200 570410791 /nfs/dbraw/zinc/41/07/91/570410791.db2.gz NBTVPWWGWRBKHB-MDWZMJQESA-N 0 2 397.343 3.206 40 10 GGCBLN O=C1NN(c2ccccc2)C(c2cc([N+](=O)[O-])ccc2O)N(c2ccccc2)N1 ZINC000035183015 570550195 /nfs/dbraw/zinc/55/01/95/570550195.db2.gz GBLJJSOZRRJKLU-UHFFFAOYSA-N 0 2 391.387 3.455 40 10 GGCBLN COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OC(C)=O ZINC000059135247 570650350 /nfs/dbraw/zinc/65/03/50/570650350.db2.gz UHQAWAZCRSKXFN-OQLLNIDSSA-N 0 2 398.346 3.266 40 10 GGCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408937078 570687465 /nfs/dbraw/zinc/68/74/65/570687465.db2.gz MIRGYADBEDYSLR-BOPFTXTBSA-N 0 2 395.371 3.050 40 10 GGCBLN O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc(Cl)cn1 ZINC000408533026 231052478 /nfs/dbraw/zinc/05/24/78/231052478.db2.gz NWIDDAWZLBDYKB-RVDMUPIBSA-N 0 2 392.802 3.467 40 10 GGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cs3)C2=O)cc1 ZINC000408899304 231125689 /nfs/dbraw/zinc/12/56/89/231125689.db2.gz OFQUGJYWMLFLNK-NTUHNPAUSA-N 0 2 391.246 3.485 40 10 GGCBLN Cc1cc(N2C(=O)NC(=O)C(=Cc3ccccc3)C2=O)ccc1Br ZINC000408752219 231111743 /nfs/dbraw/zinc/11/17/43/231111743.db2.gz GSTGIINNCDPECQ-GXDHUFHOSA-N 0 2 385.217 3.424 40 10 GGCBLN O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000408959557 231135251 /nfs/dbraw/zinc/13/52/51/231135251.db2.gz AYMCQIRIVHVQPG-SAPNQHFASA-N 0 2 393.418 3.482 40 10 GGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408960763 231136392 /nfs/dbraw/zinc/13/63/92/231136392.db2.gz IQPIDOHNFGPAHX-MDWZMJQESA-N 0 2 385.763 3.223 40 10 GGCBLN Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)OCO2 ZINC000408967619 231138419 /nfs/dbraw/zinc/13/84/19/231138419.db2.gz WERYREBJUBCBEO-VGOFMYFVSA-N 0 2 384.775 3.044 40 10 GGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3[N+](=O)[O-])C2=O)cc1Cl ZINC000408985536 231142037 /nfs/dbraw/zinc/14/20/37/231142037.db2.gz KXYWMGLSFUFFPO-JYRVWZFOSA-N 0 2 385.763 3.223 40 10 GGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O)c(Cl)c2)C1=O ZINC000409236616 231185091 /nfs/dbraw/zinc/18/50/91/231185091.db2.gz SHDYOZZLQYVPQW-FMIVXFBMSA-N 0 2 386.791 3.111 40 10 GGCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 ZINC000409392921 231200317 /nfs/dbraw/zinc/20/03/17/231200317.db2.gz OIFNOFQJEPSZDB-LFIBNONCSA-N 0 2 377.331 3.147 40 10 GGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(C)C ZINC000001085304 206351580 /nfs/dbraw/zinc/35/15/80/206351580.db2.gz XHVBBEPIFMIRGP-GZTJUZNOSA-N 0 2 394.427 3.396 40 10 GGCBLN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1c[nH]n2c1nc1ccccc1c2=O ZINC000016292656 207074317 /nfs/dbraw/zinc/07/43/17/207074317.db2.gz OAQWJFRQNCWFCN-WOJGMQOQSA-N 0 2 383.411 3.290 40 10 GGCBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1O ZINC000016688764 207075148 /nfs/dbraw/zinc/07/51/48/207075148.db2.gz XVJMJZIFOVASIF-ZSOIEALJSA-N 0 2 397.343 3.206 40 10 GGCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OC(C)C)c1 ZINC000408873230 533240243 /nfs/dbraw/zinc/24/02/43/533240243.db2.gz OZNAGLZLGGGACU-GDNBJRDFSA-N 0 2 398.390 3.288 40 10 GGCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1O ZINC000408981839 533387873 /nfs/dbraw/zinc/38/78/73/533387873.db2.gz CFUQQNJVPLQVTG-MDWZMJQESA-N 0 2 386.791 3.029 40 10 GGCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1OC(C)C ZINC000409016473 533387226 /nfs/dbraw/zinc/38/72/26/533387226.db2.gz CRKJHYYDGJSYPZ-FOWTUZBSSA-N 0 2 380.400 3.149 40 10 GGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC ZINC000408801816 533473544 /nfs/dbraw/zinc/47/35/44/533473544.db2.gz BYWLQOBOMQKYDW-MDWZMJQESA-N 0 2 386.791 3.024 40 10 GGCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1OC ZINC000001192593 136196135 /nfs/dbraw/zinc/19/61/35/136196135.db2.gz FQBGHNNGFHHLMU-GXDHUFHOSA-N 0 2 386.791 3.024 40 10 GGCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNNc3ccc(Cl)cc3)C2=O)c1 ZINC000408536925 533675108 /nfs/dbraw/zinc/67/51/08/533675108.db2.gz YGCLIJRDXMURJO-XNTDXEJSSA-N 0 2 384.823 3.040 40 10 GGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)cc1 ZINC000408799813 533995926 /nfs/dbraw/zinc/99/59/26/533995926.db2.gz LLLGLSJBALKYHV-LDADJPATSA-N 0 2 380.400 3.149 40 10 GGCBLN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)c1 ZINC000409393014 534240009 /nfs/dbraw/zinc/24/00/09/534240009.db2.gz OPYINPMSKVTZCF-QGOAFFKASA-N 0 2 386.411 3.156 40 10 GGCBLN Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)o1 ZINC000408754218 534248368 /nfs/dbraw/zinc/24/83/68/534248368.db2.gz FKQXQIALEYLHQK-MDWZMJQESA-N 0 2 389.205 3.325 40 10 GGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OC ZINC000408817106 528196328 /nfs/dbraw/zinc/19/63/28/528196328.db2.gz ZRDNPMLYWSDTQJ-LFIBNONCSA-N 0 2 394.427 3.377 40 10 GGCBLN CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000408870709 528288115 /nfs/dbraw/zinc/28/81/15/528288115.db2.gz WLYCVZSPYWYYNN-CXUHLZMHSA-N 0 2 386.791 3.111 40 10 GGCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000408741794 528293554 /nfs/dbraw/zinc/29/35/54/528293554.db2.gz SAEZCHARCKCDHM-QGOAFFKASA-N 0 2 393.443 3.208 40 10 GGCBLN CCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O ZINC000408881401 528333469 /nfs/dbraw/zinc/33/34/69/528333469.db2.gz MEEDPOHFZAGJQL-ATVHPVEESA-N 0 2 394.427 3.323 40 10 GGCBLN CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O ZINC000408805393 528333622 /nfs/dbraw/zinc/33/36/22/528333622.db2.gz ATJBFWVLQBTYKC-GZTJUZNOSA-N 0 2 380.400 3.069 40 10 GGCBLN CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000408816201 528334494 /nfs/dbraw/zinc/33/44/94/528334494.db2.gz SUZKJSUVSRMGAN-GZTJUZNOSA-N 0 2 380.400 3.069 40 10 GGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OCC ZINC000408802445 528369443 /nfs/dbraw/zinc/36/94/43/528369443.db2.gz FDKIWIFSBXWFRR-SFQUDFHCSA-N 0 2 394.427 3.459 40 10 GGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC ZINC000408807164 528369717 /nfs/dbraw/zinc/36/97/17/528369717.db2.gz GLEMIWXRGANKFF-LFIBNONCSA-N 0 2 380.400 3.069 40 10 GGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)s3)C2=O)cc1 ZINC000408964420 528482328 /nfs/dbraw/zinc/48/23/28/528482328.db2.gz CFWGMUSSWDKZMB-UKTHLTGXSA-N 0 2 376.821 3.467 40 10 GGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1 ZINC000408897584 528482855 /nfs/dbraw/zinc/48/28/55/528482855.db2.gz YOWMQILVPBXRFC-XNTDXEJSSA-N 0 2 386.791 3.111 40 10 GGCBLN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O ZINC000409389953 528623950 /nfs/dbraw/zinc/62/39/50/528623950.db2.gz DADMOILWGXWTIF-QGOAFFKASA-N 0 2 387.395 3.300 40 10 GGCBLN CCCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000408878269 528635058 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Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)s1 ZINC000147653921 564883139 /nfs/dbraw/zinc/88/31/39/564883139.db2.gz BTZAHSXNAWNKEK-MDWZMJQESA-N 0 2 391.246 3.485 40 10 GGCBLN O=C(NN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S)c1ccccc1F ZINC000005236047 570432179 /nfs/dbraw/zinc/43/21/79/570432179.db2.gz WCJVCHWUVBGAPB-NTEUORMPSA-N 0 2 398.444 3.248 40 10 GGCBLN COc1ccc(OC)c(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000005675556 570450840 /nfs/dbraw/zinc/45/08/40/570450840.db2.gz NBFOCABUCFMTFW-MDWZMJQESA-N 0 2 393.226 3.472 40 10 GGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC)c3)C2=O)cc1 ZINC000006508411 570482209 /nfs/dbraw/zinc/48/22/09/570482209.db2.gz DJIVAEVFGNCHFL-AQTBWJFISA-N 0 2 380.400 3.150 40 10 GGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000408772443 570682383 /nfs/dbraw/zinc/68/23/83/570682383.db2.gz LPILTPJKSKLATJ-GZTJUZNOSA-N 0 2 394.427 3.377 40 10 GGCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1OC(C)C ZINC000409008993 570693995 /nfs/dbraw/zinc/69/39/95/570693995.db2.gz AYSFYQDOSLHHMG-SFQUDFHCSA-N 0 2 394.427 3.457 40 10 GGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OCC ZINC000006355568 570741256 /nfs/dbraw/zinc/74/12/56/570741256.db2.gz ZZVYHHJJKGYNPV-FOWTUZBSSA-N 0 2 394.427 3.459 40 10 GGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)C1=O ZINC000014133202 570877368 /nfs/dbraw/zinc/87/73/68/570877368.db2.gz CDPKJHGJPFVHSX-FOWTUZBSSA-N 0 2 393.418 3.401 40 10 GGCBLN N#CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000109036976 1411668424 /nfs/dbraw/zinc/66/84/24/1411668424.db2.gz PGNIIOVHTFQLME-JYRVWZFOSA-N 0 2 388.210 3.357 40 10 GGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(CC)CC)o3)C2=O)cc1 ZINC000204986913 1433353134 /nfs/dbraw/zinc/35/31/34/1433353134.db2.gz DTLQQBSINSLNQG-GHRIWEEISA-N 0 2 397.431 3.191 40 10 GGCBLN Cc1ccc(NNC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1C ZINC000408528378 231051374 /nfs/dbraw/zinc/05/13/74/231051374.db2.gz HLVUPFPWNKDSOD-GXDHUFHOSA-N 0 2 384.823 3.040 40 10 GGCBLN Cc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)c1 ZINC000408847465 231120509 /nfs/dbraw/zinc/12/05/09/231120509.db2.gz NAKSUXVZDIBYTF-CXUHLZMHSA-N 0 2 378.384 3.007 40 10 GGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccc(Br)c3)C2=O)c1 ZINC000408865326 231122411 /nfs/dbraw/zinc/12/24/11/231122411.db2.gz BTQFUDSBKLCFDX-XNTDXEJSSA-N 0 2 385.217 3.424 40 10 GGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)cs1 ZINC000408903813 231126953 /nfs/dbraw/zinc/12/69/53/231126953.db2.gz ZURRXAGDHUCAAC-WUXMJOGZSA-N 0 2 395.209 3.316 40 10 GGCBLN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O ZINC000408959769 231135053 /nfs/dbraw/zinc/13/50/53/231135053.db2.gz FQHPHZJEGRJDBV-XDHOZWIPSA-N 0 2 393.418 3.401 40 10 GGCBLN O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000408959722 231135174 /nfs/dbraw/zinc/13/51/74/231135174.db2.gz DRRURIVHVMLPMA-DTQAZKPQSA-N 0 2 379.391 3.092 40 10 GGCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 ZINC000409045179 231150490 /nfs/dbraw/zinc/15/04/90/231150490.db2.gz FNXVFGGPPZIDKX-VZUCSPMQSA-N 0 2 393.182 3.071 40 10 GGCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000409390346 231199801 /nfs/dbraw/zinc/19/98/01/231199801.db2.gz FBQAMUXNIIHWTE-FOWTUZBSSA-N 0 2 391.408 3.492 40 10 GGCBLN Cc1[nH]n(-c2cccc3ccccc32)c(=O)c1C=Nc1ccc2c(c1)C(=O)NC2=O ZINC000016160803 221358327 /nfs/dbraw/zinc/35/83/27/221358327.db2.gz KJYAOSPOSMKQHN-UNOMPAQXSA-N 0 2 396.406 3.442 40 10 GGCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(O)c(Cl)c1 ZINC000016399897 221361592 /nfs/dbraw/zinc/36/15/92/221361592.db2.gz AVLKBAWCWSHDLM-SDQBBNPISA-N 0 2 387.735 3.461 40 10 GGCBLN CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000019108574 221396883 /nfs/dbraw/zinc/39/68/83/221396883.db2.gz SVRIELJZCAQQHH-UHFFFAOYSA-N 0 2 376.463 3.087 40 10 GGCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1OC(C)C ZINC000409018138 533387405 /nfs/dbraw/zinc/38/74/05/533387405.db2.gz XQAKFQUCOMHMAZ-SDNWHVSQSA-N 0 2 398.390 3.288 40 10 GGCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3cc(Cl)ccc3O)C2=O)c1 ZINC000408531665 533674116 /nfs/dbraw/zinc/67/41/16/533674116.db2.gz LCGRJMOHOLAYNL-UKTHLTGXSA-N 0 2 385.807 3.241 40 10 GGCBLN COC(=O)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000408982652 533959172 /nfs/dbraw/zinc/95/91/72/533959172.db2.gz DSGMITYOEUNMRP-DHDCSXOGSA-N 0 2 398.802 3.101 40 10 GGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(C)C)C2=O)cc1 ZINC000408805103 533995637 /nfs/dbraw/zinc/99/56/37/533995637.db2.gz DSPCHTZTPNUJSY-SFQUDFHCSA-N 0 2 380.400 3.149 40 10 GGCBLN C[C@@H]1Cc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)ccc2O1 ZINC000408710768 534057674 /nfs/dbraw/zinc/05/76/74/534057674.db2.gz JRXPUDHDOZLEOO-LKBVRNOZSA-N 0 2 382.803 3.330 40 10 GGCBLN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408807752 528130969 /nfs/dbraw/zinc/13/09/69/528130969.db2.gz KWCJLIXYSIPCSG-LICLKQGHSA-N 0 2 395.371 3.048 40 10 GGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OC ZINC000408780145 528195999 /nfs/dbraw/zinc/19/59/99/528195999.db2.gz TVEOMPQZBXUNNL-GZTJUZNOSA-N 0 2 394.427 3.377 40 10 GGCBLN CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O ZINC000408817171 528334541 /nfs/dbraw/zinc/33/45/41/528334541.db2.gz ZVWSCEVISIIOKO-GZTJUZNOSA-N 0 2 394.427 3.377 40 10 GGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000408810570 528369018 /nfs/dbraw/zinc/36/90/18/528369018.db2.gz MIEOHTDXZIQQBH-LFIBNONCSA-N 0 2 394.427 3.377 40 10 GGCBLN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000408806977 528470807 /nfs/dbraw/zinc/47/08/07/528470807.db2.gz JPOSIYWJQAXIDJ-XNTDXEJSSA-N 0 2 386.791 3.111 40 10 GGCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O ZINC000408897225 528627551 /nfs/dbraw/zinc/62/75/51/528627551.db2.gz IKIFYKQVBLXYNO-LFIBNONCSA-N 0 2 380.400 3.074 40 10 GGCBLN CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O ZINC000408816790 528634921 /nfs/dbraw/zinc/63/49/21/528634921.db2.gz URLZNQOWXZSVEP-LDADJPATSA-N 0 2 394.427 3.459 40 10 GGCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC ZINC000408812957 528640777 /nfs/dbraw/zinc/64/07/77/528640777.db2.gz PZHQHFQFBSNWOU-SFQUDFHCSA-N 0 2 394.427 3.459 40 10 GGCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408801441 528641573 /nfs/dbraw/zinc/64/15/73/528641573.db2.gz ASKBAGVVTAVOSW-FOWTUZBSSA-N 0 2 380.400 3.150 40 10 GGCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N(CC)CC)o3)C2=O)c1 ZINC000408829159 528660584 /nfs/dbraw/zinc/66/05/84/528660584.db2.gz XEURKCPZFIYBQJ-GHRIWEEISA-N 0 2 397.431 3.191 40 10 GGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC)C2=O)cc1 ZINC000408901435 528696669 /nfs/dbraw/zinc/69/66/69/528696669.db2.gz YABDSLZAWUSDIQ-LGMDPLHJSA-N 0 2 380.400 3.150 40 10 GGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Br)s2)C1=O ZINC000006083642 564220447 /nfs/dbraw/zinc/22/04/47/564220447.db2.gz LLEMTDPJGZRGPB-FLIBITNWSA-N 0 2 391.246 3.485 40 10 GGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)cs2)C1=O ZINC000006083646 564220450 /nfs/dbraw/zinc/22/04/50/564220450.db2.gz BXYQDURNXSECOF-GHXNOFRVSA-N 0 2 391.246 3.485 40 10 GGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1-c1ccccc1 ZINC000001153292 570249596 /nfs/dbraw/zinc/24/95/96/570249596.db2.gz OSDYHJNNFQCTMZ-AQTBWJFISA-N 0 2 375.359 3.283 40 10 GGCBLN CC(C)(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000035074819 570269849 /nfs/dbraw/zinc/26/98/49/570269849.db2.gz TXUGMJBFXIMLKK-PTNGSMBKSA-N 0 2 381.388 3.234 40 10 GGCBLN COc1ccc(N2N=C(C)C(C=Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2=O)cc1 ZINC000100958978 570279713 /nfs/dbraw/zinc/27/97/13/570279713.db2.gz ZTGBWBDTFSSJMC-YVLHZVERSA-N 0 2 397.347 3.230 40 10 GGCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\C=C\c1cccc([N+](=O)[O-])c1 ZINC000004526193 570381965 /nfs/dbraw/zinc/38/19/65/570381965.db2.gz RUYMGEFYPNPAAO-HYLYESJESA-N 0 2 397.774 3.471 40 10 GGCBLN COc1cc(C=C2SC(NC3CCCCC3)=NC2=O)cc([N+](=O)[O-])c1O ZINC000096669699 570545120 /nfs/dbraw/zinc/54/51/20/570545120.db2.gz JJAADIIXWHYCKX-NTEUORMPSA-N 0 2 377.422 3.202 40 10 GGCBLN C/C=C/c1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1O ZINC000059565410 570657427 /nfs/dbraw/zinc/65/74/27/570657427.db2.gz QXDHVMHTHDBFLU-NMNODTAGSA-N 0 2 392.411 3.409 40 10 GGCBLN COc1ccc(/C=C2\C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000000974175 570741342 /nfs/dbraw/zinc/74/13/42/570741342.db2.gz JPUOOFFOCQQDJL-RIYZIHGNSA-N 0 2 392.333 3.184 40 10 GGCBLN COc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(NC(C)=O)cc3)C2=O)c1 ZINC000102500854 1410639907 /nfs/dbraw/zinc/63/99/07/1410639907.db2.gz TVGQUVWRULFRES-GZTJUZNOSA-N 0 2 394.387 3.073 40 10 GGCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000102514510 1410642966 /nfs/dbraw/zinc/64/29/66/1410642966.db2.gz MRUSDWPCWDIKLE-GZTJUZNOSA-N 0 2 394.387 3.073 40 10 GGCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNCc1ccc2c(c1)OCO2 ZINC000103114253 1410828989 /nfs/dbraw/zinc/82/89/89/1410828989.db2.gz JXBBCWKOZOBZGX-NTEUORMPSA-N 0 2 399.790 3.166 40 10 GGCBLN C=CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000107642125 1411395028 /nfs/dbraw/zinc/39/50/28/1411395028.db2.gz ZXXULFKILSCWGL-GDNBJRDFSA-N 0 2 399.790 3.274 40 10 GGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3Cl)C2=O)c1 ZINC000408739470 231109215 /nfs/dbraw/zinc/10/92/15/231109215.db2.gz CDAPZYDRFUDHTO-NTEUORMPSA-N 0 2 385.763 3.223 40 10 GGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC(C)C)c1 ZINC000408798454 231115227 /nfs/dbraw/zinc/11/52/27/231115227.db2.gz IJNMCLYGABZCSX-GZTJUZNOSA-N 0 2 380.400 3.149 40 10 GGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000408804858 231116217 /nfs/dbraw/zinc/11/62/17/231116217.db2.gz BVEFOYBFNZRDIS-FMIVXFBMSA-N 0 2 386.791 3.024 40 10 GGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408981383 231141407 /nfs/dbraw/zinc/14/14/07/231141407.db2.gz BAXQSYWQOBFYQX-ZSOIEALJSA-N 0 2 385.763 3.223 40 10 GGCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000408915090 231130462 /nfs/dbraw/zinc/13/04/62/231130462.db2.gz UPMYTLIJCOJZPY-LDADJPATSA-N 0 2 379.391 3.092 40 10 GGCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000409210623 231180918 /nfs/dbraw/zinc/18/09/18/231180918.db2.gz LTDCEXLUPQMSQT-NTUHNPAUSA-N 0 2 377.183 3.365 40 10 GGCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(N(C)C)cc2)C1=O ZINC000409211592 231181061 /nfs/dbraw/zinc/18/10/61/231181061.db2.gz LUSSUBFBHQYJRE-RVDMUPIBSA-N 0 2 383.835 3.381 40 10 GGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)c(C)c2)C1=O ZINC000409245984 231187532 /nfs/dbraw/zinc/18/75/32/231187532.db2.gz CAKJAFCXXUOLFY-NTCAYCPXSA-N 0 2 380.400 3.069 40 10 GGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408989655 529662240 /nfs/dbraw/zinc/66/22/40/529662240.db2.gz UVVNIXLHDCVSIF-YBEGLDIGSA-N 0 2 379.372 3.132 40 10 GGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)cc3C)C2=O)cc1 ZINC000408548899 529662732 /nfs/dbraw/zinc/66/27/32/529662732.db2.gz NBLLMRAQHORAFU-GZTJUZNOSA-N 0 2 394.427 3.241 40 10 GGCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 ZINC000006242022 204172078 /nfs/dbraw/zinc/17/20/78/204172078.db2.gz GEFAKOINLUQPLO-PTNGSMBKSA-N 0 2 385.807 3.200 40 10 GGCBLN Cc1ccsc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000015012498 204553741 /nfs/dbraw/zinc/55/37/41/204553741.db2.gz GXZZTEVNZPFIOE-WQLSENKSSA-N 0 2 391.246 3.485 40 10 GGCBLN CC(=O)Oc1cccc(/C=C2/C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)c1 ZINC000005613398 205770511 /nfs/dbraw/zinc/77/05/11/205770511.db2.gz RIAAVASANLLHMN-SOFYXZRVSA-N 0 2 391.210 3.380 40 10 GGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1O ZINC000408892466 533472471 /nfs/dbraw/zinc/47/24/71/533472471.db2.gz BSJYLXHVLPBGBF-NTUHNPAUSA-N 0 2 386.791 3.029 40 10 GGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1O ZINC000408896943 533473242 /nfs/dbraw/zinc/47/32/42/533473242.db2.gz UYJFDWMBDVWVJO-XYOKQWHBSA-N 0 2 386.791 3.029 40 10 GGCBLN COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000408548379 533564995 /nfs/dbraw/zinc/56/49/95/533564995.db2.gz HFXZATWPYYPSKA-MHWRWJLKSA-N 0 2 394.427 3.295 40 10 GGCBLN COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1[N+](=O)[O-] ZINC000000845441 136193006 /nfs/dbraw/zinc/19/30/06/136193006.db2.gz GNBYLAORNIICIR-UKTHLTGXSA-N 0 2 381.344 3.419 40 10 GGCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccsc3)C2=O)c1 ZINC000000886183 136193084 /nfs/dbraw/zinc/19/30/84/136193084.db2.gz DTFHWUCJTYBBBU-NTEUORMPSA-N 0 2 386.429 3.212 40 10 GGCBLN O=C1NC(=O)N(c2cccnc2)C(=O)C1=Cc1ccc(N2CCCC2)cc1F ZINC000006971020 136196968 /nfs/dbraw/zinc/19/69/68/136196968.db2.gz CNAPITPZJMHVPK-MHWRWJLKSA-N 0 2 380.379 3.328 40 10 GGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(OC)c3)C2=O)cc1 ZINC000408867077 533995597 /nfs/dbraw/zinc/99/55/97/533995597.db2.gz JEWQBENBMDRPGP-CXUHLZMHSA-N 0 2 386.791 3.024 40 10 GGCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409203698 534146813 /nfs/dbraw/zinc/14/68/13/534146813.db2.gz XHTHZRAYUAQOAP-RIYZIHGNSA-N 0 2 385.763 3.223 40 10 GGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc([N+](=O)[O-])c(C)c2C)C1=O ZINC000408527121 534821396 /nfs/dbraw/zinc/82/13/96/534821396.db2.gz FAZHFUATLAOLJI-GXDHUFHOSA-N 0 2 394.387 3.099 40 10 GGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC ZINC000408798850 528196240 /nfs/dbraw/zinc/19/62/40/528196240.db2.gz GETDDSRVIXJAQU-LFIBNONCSA-N 0 2 380.400 3.069 40 10 GGCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Cl)c3)C2=O)cc1 ZINC000408875748 528226178 /nfs/dbraw/zinc/22/61/78/528226178.db2.gz HIYFZOXRLWHEBT-LFIBNONCSA-N 0 2 398.802 3.183 40 10 GGCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(O)c1 ZINC000408740866 528293647 /nfs/dbraw/zinc/29/36/47/528293647.db2.gz NGHBOHOHMIYMJD-LDADJPATSA-N 0 2 393.443 3.213 40 10 GGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(OCC)c1 ZINC000408850092 528369372 /nfs/dbraw/zinc/36/93/72/528369372.db2.gz FRLFGVRXAFCIPH-GZTJUZNOSA-N 0 2 398.390 3.290 40 10 GGCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(C)cc3)C2=O)c1 ZINC000408854048 528565785 /nfs/dbraw/zinc/56/57/85/528565785.db2.gz WITOAVTVDZEJRE-SFQUDFHCSA-N 0 2 394.427 3.459 40 10 GGCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)s3)C2=O)c1 ZINC000408965977 528660815 /nfs/dbraw/zinc/66/08/15/528660815.db2.gz KOIWAOAZPNKDHA-UKTHLTGXSA-N 0 2 376.821 3.467 40 10 GGCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408805290 528767682 /nfs/dbraw/zinc/76/76/82/528767682.db2.gz FWMZTBFAWWXVAI-LFIBNONCSA-N 0 2 395.371 3.050 40 10 GGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)n(C)c4ccccc34)C2=O)cc1 ZINC000002982424 570322414 /nfs/dbraw/zinc/32/24/14/570322414.db2.gz ORSJRNLLRPZMBT-LDADJPATSA-N 0 2 389.411 3.162 40 10 GGCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000003049686 570326874 /nfs/dbraw/zinc/32/68/74/570326874.db2.gz CDACBOBBSVCLPC-ZROIWOOFSA-N 0 2 386.791 3.024 40 10 GGCBLN COCCn1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C ZINC000059087210 570649425 /nfs/dbraw/zinc/64/94/25/570649425.db2.gz KVWAZUHLZGNSCJ-GZTJUZNOSA-N 0 2 385.395 3.397 40 10 GGCBLN COc1ccc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)c1 ZINC000059104516 570649641 /nfs/dbraw/zinc/64/96/41/570649641.db2.gz RLFJSNXRMXVCIC-OVCLIPMQSA-N 0 2 380.356 3.239 40 10 GGCBLN Cc1c(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc2n1C ZINC000059249446 570652579 /nfs/dbraw/zinc/65/25/79/570652579.db2.gz YULLEGULHLWSPE-BOPFTXTBSA-N 0 2 377.375 3.292 40 10 GGCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(C)c([N+](=O)[O-])c3)C2=O)c1 ZINC000408771906 570682304 /nfs/dbraw/zinc/68/23/04/570682304.db2.gz IZOFGKNFRBZLAB-CXUHLZMHSA-N 0 2 379.372 3.186 40 10 GGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1 ZINC000408774828 570682698 /nfs/dbraw/zinc/68/26/98/570682698.db2.gz DCNNUPVKRBOTFX-NTEUORMPSA-N 0 2 386.791 3.111 40 10 GGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(C)C ZINC000006479399 570743499 /nfs/dbraw/zinc/74/34/99/570743499.db2.gz CUYWVQJCCSYRAM-LFIBNONCSA-N 0 2 394.427 3.457 40 10 GGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNNc3ccc(C)c(C)c3)C2=O)c(C)c1 ZINC000016284846 570920675 /nfs/dbraw/zinc/92/06/75/570920675.db2.gz JAHCSNFEJSWCGG-BOPFTXTBSA-N 0 2 378.432 3.004 40 10 GGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNCc3ccc4c(c3)OCO4)C2=O)cc1C ZINC000103105871 1410828164 /nfs/dbraw/zinc/82/81/64/1410828164.db2.gz GUEPIWDKJAEBFE-YBEGLDIGSA-N 0 2 393.399 3.129 40 10 GGCBLN CC[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000108976748 1411653388 /nfs/dbraw/zinc/65/33/88/1411653388.db2.gz CRPDSYBJCYWWGC-RERGGYADSA-N 0 2 381.388 3.234 40 10 GGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc([N+](=O)[O-])c(C)c3)C2=O)cc1C ZINC000408535722 231053871 /nfs/dbraw/zinc/05/38/71/231053871.db2.gz ZVMUELOALGBIEV-MHWRWJLKSA-N 0 2 394.387 3.099 40 10 GGCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000408536515 231054053 /nfs/dbraw/zinc/05/40/53/231054053.db2.gz WQKXDFPGUAQORD-MHWRWJLKSA-N 0 2 394.387 3.099 40 10 GGCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000408883829 231124710 /nfs/dbraw/zinc/12/47/10/231124710.db2.gz WUADARLUVCQFTP-DHZHZOJOSA-N 0 2 377.183 3.365 40 10 GGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000408796937 231115179 /nfs/dbraw/zinc/11/51/79/231115179.db2.gz FDTBVLSXSLDTTN-OVCLIPMQSA-N 0 2 386.791 3.024 40 10 GGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1F ZINC000408962728 231136286 /nfs/dbraw/zinc/13/62/86/231136286.db2.gz TYQCBKAWEVHJFF-FOWTUZBSSA-N 0 2 393.349 3.422 40 10 GGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(O)cc3)C2=O)cc1 ZINC000408964352 231137444 /nfs/dbraw/zinc/13/74/44/231137444.db2.gz GIWCCKCNNLPSHI-CPNJWEJPSA-N 0 2 387.395 3.158 40 10 GGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1Cl ZINC000408981801 231141464 /nfs/dbraw/zinc/14/14/64/231141464.db2.gz CBXJEJQXUJZIIP-MLPAPPSSSA-N 0 2 384.775 3.044 40 10 GGCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 ZINC000409046034 231150656 /nfs/dbraw/zinc/15/06/56/231150656.db2.gz IBNFGNGMMCHDMU-IZZDOVSWSA-N 0 2 377.183 3.365 40 10 GGCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409095647 231158768 /nfs/dbraw/zinc/15/87/68/231158768.db2.gz IEPBBNVEHZOOSW-FOWTUZBSSA-N 0 2 379.391 3.092 40 10 GGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=CC=Cc2ccc(OC)cc2)C1=O ZINC000409242770 231186519 /nfs/dbraw/zinc/18/65/19/231186519.db2.gz YFRZBNSMQHTMPT-WMAWMELHSA-N 0 2 392.411 3.317 40 10 GGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(CC)c2C)C1=O ZINC000409249317 231187490 /nfs/dbraw/zinc/18/74/90/231187490.db2.gz NFGZROGJYIRWBQ-FOWTUZBSSA-N 0 2 381.432 3.190 40 10 GGCBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccccc1 ZINC000409390314 231199493 /nfs/dbraw/zinc/19/94/93/231199493.db2.gz DYSOMFAVMGASRB-UYRXBGFRSA-N 0 2 386.411 3.156 40 10 GGCBLN CCn1cccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000409074690 529546786 /nfs/dbraw/zinc/54/67/86/529546786.db2.gz UQPZATVJMRYJJW-PKNBQFBNSA-N 0 2 378.215 3.481 40 10 GGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCC3)o2)C1=O ZINC000408859129 529586366 /nfs/dbraw/zinc/58/63/66/529586366.db2.gz TUDBEDWLESDTGM-DTQAZKPQSA-N 0 2 379.416 3.109 40 10 GGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000408535928 529586609 /nfs/dbraw/zinc/58/66/09/529586609.db2.gz URVDPPTXRDLWAQ-RVDMUPIBSA-N 0 2 394.387 3.044 40 10 GGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(CC)CC)o3)C2=O)cc1 ZINC000408981790 529662437 /nfs/dbraw/zinc/66/24/37/529662437.db2.gz BXLUMXOPDQNLAI-LGMDPLHJSA-N 0 2 381.432 3.355 40 10 GGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 ZINC000408982854 529662596 /nfs/dbraw/zinc/66/25/96/529662596.db2.gz FOMPUJKFVRCKHC-GDNBJRDFSA-N 0 2 399.790 3.477 40 10 GGCBLN COc1ccc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1 ZINC000016215422 207074372 /nfs/dbraw/zinc/07/43/72/207074372.db2.gz QWRGZMJNSGIZII-DHDCSXOGSA-N 0 2 397.343 3.119 40 10 GGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(C)C ZINC000408801836 533472911 /nfs/dbraw/zinc/47/29/11/533472911.db2.gz CEABFZMPMULFNJ-GZTJUZNOSA-N 0 2 394.427 3.457 40 10 GGCBLN COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1C(C)C ZINC000409393588 533565588 /nfs/dbraw/zinc/56/55/88/533565588.db2.gz QXVMGZQHMAECBY-GZTJUZNOSA-N 0 2 379.416 3.188 40 10 GGCBLN CN(C)c1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000004256028 136193794 /nfs/dbraw/zinc/19/37/94/136193794.db2.gz QOOBUPBDRLTZQP-GXDHUFHOSA-N 0 2 380.360 3.168 40 10 GGCBLN COc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(NC(C)=O)cc2)C1=O ZINC000103111304 136196566 /nfs/dbraw/zinc/19/65/66/136196566.db2.gz FNJVABSASTUIJV-RVDMUPIBSA-N 0 2 394.387 3.073 40 10 GGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCC3)cc2)C1=O ZINC000006456529 136196899 /nfs/dbraw/zinc/19/68/99/136196899.db2.gz GSPGXONEAIZVGS-JXAWBTAJSA-N 0 2 375.428 3.262 40 10 GGCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNNc3ccc(C)c(C)c3)C2=O)c1 ZINC000408528070 533674094 /nfs/dbraw/zinc/67/40/94/533674094.db2.gz FCKVQPHISQJUEV-GZTJUZNOSA-N 0 2 378.432 3.004 40 10 GGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OC)C2=O)cc1 ZINC000408798412 533997117 /nfs/dbraw/zinc/99/71/17/533997117.db2.gz IERHMMPRUXRZPB-XNTDXEJSSA-N 0 2 386.791 3.024 40 10 GGCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)OCO3)C1=O ZINC000409208473 534147210 /nfs/dbraw/zinc/14/72/10/534147210.db2.gz CKYVXRBMPWSTMT-AWNIVKPZSA-N 0 2 384.775 3.044 40 10 GGCBLN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c1C ZINC000409392845 534568572 /nfs/dbraw/zinc/56/85/72/534568572.db2.gz NYBVKOIZHQQMKW-QGOAFFKASA-N 0 2 386.411 3.156 40 10 GGCBLN CC(=O)c1cccc(NC=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000408535448 527358172 /nfs/dbraw/zinc/35/81/72/527358172.db2.gz SSOLGRQLMCYXQR-WOJGMQOQSA-N 0 2 377.400 3.085 40 10 GGCBLN CC(=O)c1cccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000408526900 527358622 /nfs/dbraw/zinc/35/86/22/527358622.db2.gz DJMZQYPSDDGHNI-GZTJUZNOSA-N 0 2 377.400 3.085 40 10 GGCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OC ZINC000408982292 528194447 /nfs/dbraw/zinc/19/44/47/528194447.db2.gz GICATBSIKXCFDX-ATVHPVEESA-N 0 2 394.427 3.323 40 10 GGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1O ZINC000408890061 528195936 /nfs/dbraw/zinc/19/59/36/528195936.db2.gz NDMIGQFWFOSBJR-XNTDXEJSSA-N 0 2 380.400 3.074 40 10 GGCBLN CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O ZINC000408801018 528333865 /nfs/dbraw/zinc/33/38/65/528333865.db2.gz RFGYUVJRHYUUBR-GZTJUZNOSA-N 0 2 394.427 3.377 40 10 GGCBLN CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O ZINC000408814628 528334582 /nfs/dbraw/zinc/33/45/82/528334582.db2.gz VWEYBASVYCKJGJ-LDADJPATSA-N 0 2 394.427 3.323 40 10 GGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)cc1 ZINC000409245503 528369200 /nfs/dbraw/zinc/36/92/00/528369200.db2.gz UTYOJCBBQBPUGW-DTQAZKPQSA-N 0 2 380.400 3.150 40 10 GGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408798528 528369732 /nfs/dbraw/zinc/36/97/32/528369732.db2.gz JCCWRVZXZHHMIG-FOWTUZBSSA-N 0 2 380.400 3.150 40 10 GGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1OCC ZINC000408911500 528369900 /nfs/dbraw/zinc/36/99/00/528369900.db2.gz NPZMCBBMZODOMX-MHWRWJLKSA-N 0 2 398.390 3.290 40 10 GGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(CC)c3C)C2=O)cc1 ZINC000409074369 528482942 /nfs/dbraw/zinc/48/29/42/528482942.db2.gz QGVRKYLFZPOILT-LDADJPATSA-N 0 2 381.432 3.190 40 10 GGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)C[C@@H](C)O4)C2=O)cc1 ZINC000408710951 528483045 /nfs/dbraw/zinc/48/30/45/528483045.db2.gz ZRLKXZXEDPXKKH-RNEAKCBISA-N 0 2 392.411 3.075 40 10 GGCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408768042 528641377 /nfs/dbraw/zinc/64/13/77/528641377.db2.gz BJXXCYHUDBCZDY-SFQUDFHCSA-N 0 2 394.427 3.459 40 10 GGCBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3)C2=O)cc1 ZINC000408900101 528677462 /nfs/dbraw/zinc/67/74/62/528677462.db2.gz RMGGMDQQKBKXLT-AQTBWJFISA-N 0 2 380.400 3.238 40 10 GGCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c1 ZINC000408940197 528730703 /nfs/dbraw/zinc/73/07/03/528730703.db2.gz UOKSMEVGPAKCBV-AQTBWJFISA-N 0 2 380.400 3.150 40 10 GGCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O ZINC000408807289 528767805 /nfs/dbraw/zinc/76/78/05/528767805.db2.gz GWSFTASPBJEHNG-GHRIWEEISA-N 0 2 380.400 3.150 40 10 GGCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccsc1 ZINC000005768675 564218272 /nfs/dbraw/zinc/21/82/72/564218272.db2.gz GKWSBQQUIXFONZ-GHXNOFRVSA-N 0 2 377.219 3.177 40 10 GGCBLN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005891955 564219782 /nfs/dbraw/zinc/21/97/82/564219782.db2.gz XTCFMAFTEQISPC-SDQBBNPISA-N 0 2 378.171 3.363 40 10 GGCBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C(C)C ZINC000004544507 570383096 /nfs/dbraw/zinc/38/30/96/570383096.db2.gz HXJDJYZDAUBNNH-PXNMLYILSA-N 0 2 395.415 3.081 40 10 GGCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)c1 ZINC000005959768 570462886 /nfs/dbraw/zinc/46/28/86/570462886.db2.gz DCONBWYOJJZHTO-ATVHPVEESA-N 0 2 379.416 3.163 40 10 GGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCC3)cc2F)C1=O ZINC000009265428 570554215 /nfs/dbraw/zinc/55/42/15/570554215.db2.gz DIHNVJPMIWVOGB-ATVHPVEESA-N 0 2 393.418 3.401 40 10 GGCBLN COC(=O)c1ccccc1N=C(C)C1C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000101771021 570717081 /nfs/dbraw/zinc/71/70/81/570717081.db2.gz VNEGCMYNVSOZEG-PDGQHHTCSA-N 0 2 394.387 3.490 40 10 GGCBLN COC(=O)c1ccccc1N=C(C)c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000101771021 570717084 /nfs/dbraw/zinc/71/70/84/570717084.db2.gz VNEGCMYNVSOZEG-PDGQHHTCSA-N 0 2 394.387 3.490 40 10 GGCBLN CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000108143795 1411441783 /nfs/dbraw/zinc/44/17/83/1411441783.db2.gz ODDRNLVZANAJFW-ZROIWOOFSA-N 0 2 387.779 3.108 40 10 GGCBLN CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000108976745 1411653171 /nfs/dbraw/zinc/65/31/71/1411653171.db2.gz CRPDSYBJCYWWGC-YYTPVVGHSA-N 0 2 381.388 3.234 40 10 GGCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3ccc(F)cc3F)C2=O)c(C)c1 ZINC000408527213 231049950 /nfs/dbraw/zinc/04/99/50/231049950.db2.gz FLGGZKYHZIRKHB-NTEUORMPSA-N 0 2 385.370 3.469 40 10 GGCBLN Cc1ccc(NNC=C2C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(C)c1 ZINC000408535590 231053630 /nfs/dbraw/zinc/05/36/30/231053630.db2.gz TZODXFSOGKXEKE-LFIBNONCSA-N 0 2 378.432 3.004 40 10 GGCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000408886990 231124619 /nfs/dbraw/zinc/12/46/19/231124619.db2.gz KRCQAXOWWROSGB-NTUHNPAUSA-N 0 2 377.183 3.365 40 10 GGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(O)c1 ZINC000408886330 231125130 /nfs/dbraw/zinc/12/51/30/231125130.db2.gz JYXYNYSCCPQGQY-MDWZMJQESA-N 0 2 386.791 3.029 40 10 GGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(O)c1 ZINC000408900379 231126020 /nfs/dbraw/zinc/12/60/20/231126020.db2.gz VKKAQCYIPOKOOU-VGOFMYFVSA-N 0 2 386.791 3.029 40 10 GGCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1N1CCCC1 ZINC000408903772 231127129 /nfs/dbraw/zinc/12/71/29/231127129.db2.gz YUPGUCUSAPSSRB-QGOAFFKASA-N 0 2 393.418 3.401 40 10 GGCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccnc1 ZINC000408768703 231112519 /nfs/dbraw/zinc/11/25/19/231112519.db2.gz IHXCEIZYOFNRCM-XDHOZWIPSA-N 0 2 386.411 3.156 40 10 GGCBLN COc1cc(N2C(=O)NC(=O)C(=Cc3ccccc3)C2=O)c(OC)cc1Cl ZINC000408768576 231112654 /nfs/dbraw/zinc/11/26/54/231112654.db2.gz HHJMYBUJPVGJEU-XYOKQWHBSA-N 0 2 386.791 3.024 40 10 GGCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3C)OCO4)C2=O)c1 ZINC000408960760 231135973 /nfs/dbraw/zinc/13/59/73/231135973.db2.gz IQLSZIFBAILLHM-LZYBPNLTSA-N 0 2 378.384 3.007 40 10 GGCBLN COCCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000408967271 231138445 /nfs/dbraw/zinc/13/84/45/231138445.db2.gz UFPGWERVMXWPLL-XDHOZWIPSA-N 0 2 395.459 3.035 40 10 GGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(O)cc3)C2=O)c1 ZINC000409021621 231147891 /nfs/dbraw/zinc/14/78/91/231147891.db2.gz QSZODYGPSMZPGW-CPNJWEJPSA-N 0 2 387.395 3.158 40 10 GGCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000409216478 231181957 /nfs/dbraw/zinc/18/19/57/231181957.db2.gz LOSIFWDBCWQXKY-YRNVUSSQSA-N 0 2 395.596 3.362 40 10 GGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)cc2C)C1=O ZINC000409239423 231185124 /nfs/dbraw/zinc/18/51/24/231185124.db2.gz MQVULHXIZHJFQG-FOWTUZBSSA-N 0 2 380.400 3.069 40 10 GGCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000409389916 231199750 /nfs/dbraw/zinc/19/97/50/231199750.db2.gz CWOPKRWFKCZAOE-LFIBNONCSA-N 0 2 377.331 3.147 40 10 GGCBLN CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)o1 ZINC000409070268 529775061 /nfs/dbraw/zinc/77/50/61/529775061.db2.gz NRWNGQJYEBSESK-CSKARUKUSA-N 0 2 394.214 3.319 40 10 GGCBLN Cc1nnc(NS(=O)(=O)c2ccc(NN=C3N=CC=CC3=O)cc2)s1 ZINC000016951558 210199230 /nfs/dbraw/zinc/19/92/30/210199230.db2.gz WFDOPUUFRHEHRY-ZCXUNETKSA-N 0 2 376.423 3.163 40 10 GGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1Br ZINC000005770434 209614708 /nfs/dbraw/zinc/61/47/08/209614708.db2.gz QJCRJSSAEZJLPD-LCYFTJDESA-N 0 2 389.180 3.255 40 10 GGCBLN CCOc1cc(/C=C2\C(=O)NN(c3ccc(F)cc3)C2=O)cc(Cl)c1O ZINC000001146096 209307183 /nfs/dbraw/zinc/30/71/83/209307183.db2.gz GFNICCOJYANDNN-NTUHNPAUSA-N 0 2 376.771 3.045 40 10 GGCBLN COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000408809853 533339833 /nfs/dbraw/zinc/33/98/33/533339833.db2.gz SHBNHNYPVIAPLY-LDADJPATSA-N 0 2 388.379 3.220 40 10 GGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OC(C)C ZINC000408816184 533472441 /nfs/dbraw/zinc/47/24/41/533472441.db2.gz STIUTZPYNSBIER-LFIBNONCSA-N 0 2 380.400 3.149 40 10 GGCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNC12CC3CC(CC(C3)C1)C2 ZINC000100397195 136189149 /nfs/dbraw/zinc/18/91/49/136189149.db2.gz YQVIMVHDFYMXSP-BOPFTXTBSA-N 0 2 399.878 3.365 40 10 GGCBLN COc1ccccc1NC=C1C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000103763826 136196711 /nfs/dbraw/zinc/19/67/11/136196711.db2.gz LCEFMAMIJIWNCR-RVDMUPIBSA-N 0 2 379.416 3.199 40 10 GGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c1 ZINC000006456216 136196892 /nfs/dbraw/zinc/19/68/92/136196892.db2.gz RXNCRHOIZOOTDN-RGEXLXHISA-N 0 2 375.428 3.262 40 10 GGCBLN Cc1c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc2n1C ZINC000408852443 533701819 /nfs/dbraw/zinc/70/18/19/533701819.db2.gz FXQKTDJLKSWAQX-GZTJUZNOSA-N 0 2 377.375 3.292 40 10 GGCBLN CC(=O)c1cccc(NC=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000408534222 527358435 /nfs/dbraw/zinc/35/84/35/527358435.db2.gz VJFIECQEYLMKFE-GXDHUFHOSA-N 0 2 383.791 3.121 40 10 GGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1O ZINC000408894946 528196478 /nfs/dbraw/zinc/19/64/78/528196478.db2.gz LEMPFMUYBWDRIX-XNTDXEJSSA-N 0 2 380.400 3.074 40 10 GGCBLN CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408800550 528244151 /nfs/dbraw/zinc/24/41/51/528244151.db2.gz POBHAEYKAQSQJF-MHWRWJLKSA-N 0 2 395.371 3.048 40 10 GGCBLN CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OC ZINC000408874293 528368198 /nfs/dbraw/zinc/36/81/98/528368198.db2.gz AXMKAFUMBDSXOD-VBKFSLOCSA-N 0 2 394.427 3.323 40 10 GGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000408767831 528369314 /nfs/dbraw/zinc/36/93/14/528369314.db2.gz PKWQHORQOVQXGJ-LFIBNONCSA-N 0 2 380.400 3.069 40 10 GGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc12 ZINC000409394310 528369914 /nfs/dbraw/zinc/36/99/14/528369914.db2.gz YLPDPJPRQSORPH-QGOAFFKASA-N 0 2 387.395 3.300 40 10 GGCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O ZINC000408897219 528627289 /nfs/dbraw/zinc/62/72/89/528627289.db2.gz IJLSDBOXCRCKNH-GXDHUFHOSA-N 0 2 386.791 3.111 40 10 GGCBLN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2 ZINC000005569768 564217755 /nfs/dbraw/zinc/21/77/55/564217755.db2.gz SDDRNIXAPIHVSB-XGICHPGQSA-N 0 2 377.183 3.184 40 10 GGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Br)s1 ZINC000006889133 564229117 /nfs/dbraw/zinc/22/91/17/564229117.db2.gz SJMPDQASKDISAE-XFFZJAGNSA-N 0 2 395.209 3.316 40 10 GGCBLN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 ZINC000006863312 564229281 /nfs/dbraw/zinc/22/92/81/564229281.db2.gz SDDRNIXAPIHVSB-LFYBBSHMSA-N 0 2 377.183 3.184 40 10 GGCBLN Cc1nnc(NS(=O)(=O)c2ccc(NN=C3N=CC=CC3=O)cc2)s1 ZINC000104123603 564953124 /nfs/dbraw/zinc/95/31/24/564953124.db2.gz WFDOPUUFRHEHRY-ISLYRVAYSA-N 0 2 376.423 3.163 40 10 GGCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(CC)c3C)C2=O)c1 ZINC000001134861 570247012 /nfs/dbraw/zinc/24/70/12/570247012.db2.gz VXOOWIWOXWIAOX-WQRHYEAKSA-N 0 2 381.432 3.190 40 10 GGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1 ZINC000009264418 570554197 /nfs/dbraw/zinc/55/41/97/570554197.db2.gz CEXHIZCRMLJRGM-RGEXLXHISA-N 0 2 393.418 3.482 40 10 GGCBLN C=CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033782536 570647199 /nfs/dbraw/zinc/64/71/99/570647199.db2.gz GHXNSWOAYUXCSQ-ZROIWOOFSA-N 0 2 399.790 3.274 40 10 GGCBLN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000012445826 570666025 /nfs/dbraw/zinc/66/60/25/570666025.db2.gz XYVLAWQYIFKOLS-GHRIWEEISA-N 0 2 393.418 3.401 40 10 GGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC ZINC000006354949 570741248 /nfs/dbraw/zinc/74/12/48/570741248.db2.gz PEBPUUXROZBWRF-RVDMUPIBSA-N 0 2 380.400 3.069 40 10 GGCBLN CC(=O)n1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000004714558 570858904 /nfs/dbraw/zinc/85/89/04/570858904.db2.gz UXEYGGKXVIOOCF-WQRHYEAKSA-N 0 2 387.395 3.276 40 10 biogenic GGCBLN Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)ccc21 ZINC000192695059 570933091 /nfs/dbraw/zinc/93/30/91/570933091.db2.gz FPJZQBMMJXDGKK-UHFFFAOYSA-N 0 2 387.442 3.056 40 10 GGCBLN CC(=O)Nc1ccc(NC=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 ZINC000103110058 1410828257 /nfs/dbraw/zinc/82/82/57/1410828257.db2.gz MQDHOCZGRHALLW-LFIBNONCSA-N 0 2 378.388 3.373 40 10 GGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 ZINC000059426721 230944697 /nfs/dbraw/zinc/94/46/97/230944697.db2.gz QUUDPDDJBFPBQR-NTEUORMPSA-N 0 2 385.763 3.223 40 10 GGCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNNc3ccccc3C)C2=O)c(C)c1 ZINC000408527603 231050338 /nfs/dbraw/zinc/05/03/38/231050338.db2.gz GBIWWHINVJIRTK-LFIBNONCSA-N 0 2 378.432 3.004 40 10 GGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OC(C)C)c1 ZINC000408811686 231117250 /nfs/dbraw/zinc/11/72/50/231117250.db2.gz WBCVYZHZVKQFFT-WOJGMQOQSA-N 0 2 394.427 3.457 40 10 GGCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc4c(cc3Cl)OCO4)C2=O)c1 ZINC000408896668 231125575 /nfs/dbraw/zinc/12/55/75/231125575.db2.gz HBPPSBYBVMYXHQ-MKMNVTDBSA-N 0 2 398.802 3.352 40 10 GGCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000408959741 231135420 /nfs/dbraw/zinc/13/54/20/231135420.db2.gz DZWSZPQYEOSISW-XDJHFCHBSA-N 0 2 375.428 3.343 40 10 GGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1C ZINC000408962797 231136175 /nfs/dbraw/zinc/13/61/75/231136175.db2.gz VDCHLCMQVJPLRQ-GZTJUZNOSA-N 0 2 394.427 3.295 40 10 GGCBLN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408961615 231136278 /nfs/dbraw/zinc/13/62/78/231136278.db2.gz TWKZAUAMLLYWPI-XMHGGMMESA-N 0 2 375.428 3.262 40 10 GGCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000408961052 231136504 /nfs/dbraw/zinc/13/65/04/231136504.db2.gz QLERCHSIBKMJQW-CPNJWEJPSA-N 0 2 393.418 3.482 40 10 GGCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000408913489 231130138 /nfs/dbraw/zinc/13/01/38/231130138.db2.gz LJMVLYBJTLNYJG-RIYZIHGNSA-N 0 2 389.180 3.255 40 10 GGCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Br)s1 ZINC000408913568 231130777 /nfs/dbraw/zinc/13/07/77/231130777.db2.gz LWQHCPHBEVWIHN-YRNVUSSQSA-N 0 2 395.209 3.316 40 10 GGCBLN Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409147608 231171958 /nfs/dbraw/zinc/17/19/58/231171958.db2.gz VKDSDKDDOCVXAB-LICLKQGHSA-N 0 2 399.472 3.281 40 10 GGCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409097975 231160042 /nfs/dbraw/zinc/16/00/42/231160042.db2.gz OCVHBZIKMXMSRH-MHWRWJLKSA-N 0 2 397.381 3.231 40 10 GGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409213448 231181526 /nfs/dbraw/zinc/18/15/26/231181526.db2.gz VIXQEUCSZIRFRS-RIYZIHGNSA-N 0 2 385.763 3.223 40 10 GGCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)OCO3)C1=O ZINC000409216212 231182236 /nfs/dbraw/zinc/18/22/36/231182236.db2.gz GFWVVXCIZSCTRP-KPKJPENVSA-N 0 2 384.775 3.044 40 10 GGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(Cl)s2)C1=O ZINC000409229832 231184451 /nfs/dbraw/zinc/18/44/51/231184451.db2.gz AFGALDIIZGQIHD-PKNBQFBNSA-N 0 2 376.821 3.467 40 10 GGCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)c1O ZINC000001199499 212228309 /nfs/dbraw/zinc/22/83/09/212228309.db2.gz NLXFIDGXGIAZBS-LFIBNONCSA-N 0 2 380.400 3.191 40 10 GGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1 ZINC000001192740 212227193 /nfs/dbraw/zinc/22/71/93/212227193.db2.gz JGSZVLDUAYIMGF-XMHGGMMESA-N 0 2 375.428 3.262 40 10 GGCBLN COc1ccc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000016227142 221359565 /nfs/dbraw/zinc/35/95/65/221359565.db2.gz BAFDVSVWOKWOPJ-ZROIWOOFSA-N 0 2 397.343 3.119 40 10 GGCBLN COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000408548276 533564127 /nfs/dbraw/zinc/56/41/27/533564127.db2.gz FQLAHPKKXJIQJH-LICLKQGHSA-N 0 2 394.427 3.295 40 10 GGCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(O)c1 ZINC000004859648 136194196 /nfs/dbraw/zinc/19/41/96/136194196.db2.gz GPDLYDSQQMHBCK-LDADJPATSA-N 0 2 393.443 3.213 40 10 GGCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3ccc([N+](=O)[O-])cc3C)C2=O)c1 ZINC000408533481 533673826 /nfs/dbraw/zinc/67/38/26/533673826.db2.gz SKLTURHKMOQBEU-XNTDXEJSSA-N 0 2 394.387 3.099 40 10 GGCBLN COc1cccc(-c2cc3ccc(O)c(C[N@@H+]4CCC[C@H]4C(=O)[O-])c3oc2=O)c1 ZINC000057312361 222029441 /nfs/dbraw/zinc/02/94/41/222029441.db2.gz WYVKCXBDJQLJMD-SFHVURJKSA-N 0 2 395.411 3.223 40 10 GGCBLN COc1cccc(-c2cc3ccc(O)c(C[N@H+]4CCC[C@H]4C(=O)[O-])c3oc2=O)c1 ZINC000057312361 222029444 /nfs/dbraw/zinc/02/94/44/222029444.db2.gz WYVKCXBDJQLJMD-SFHVURJKSA-N 0 2 395.411 3.223 40 10 GGCBLN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S ZINC000409201112 533727696 /nfs/dbraw/zinc/72/76/96/533727696.db2.gz NRZPWGUBVLLIEP-RIYZIHGNSA-N 0 2 375.431 3.256 40 10 GGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)CC(C)(C)O4)C2=O)cc1 ZINC000408710817 533996247 /nfs/dbraw/zinc/99/62/47/533996247.db2.gz MUCDCPIMWXRRLF-GZTJUZNOSA-N 0 2 392.411 3.075 40 10 GGCBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc4ccccc4c3)C2=O)cc1 ZINC000408536764 533996534 /nfs/dbraw/zinc/99/65/34/533996534.db2.gz XXUDHNXOODPIAC-UYRXBGFRSA-N 0 2 387.395 3.427 40 10 GGCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000409202343 534146125 /nfs/dbraw/zinc/14/61/25/534146125.db2.gz RUCOUSYYQHSQBD-RIYZIHGNSA-N 0 2 385.763 3.223 40 10 GGCBLN COC(=O)c1ccc(N=C(C)c2c(C)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000112124027 534185141 /nfs/dbraw/zinc/18/51/41/534185141.db2.gz ZSKLRANMDDBSEJ-PDGQHHTCSA-N 0 2 394.387 3.490 40 10 GGCBLN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Cl ZINC000409391123 528130376 /nfs/dbraw/zinc/13/03/76/528130376.db2.gz HJVSMQCJQVYSPC-NTEUORMPSA-N 0 2 385.807 3.189 40 10 GGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OC ZINC000408785054 528196191 /nfs/dbraw/zinc/19/61/91/528196191.db2.gz FPIFIOIZIFCKND-GZTJUZNOSA-N 0 2 394.427 3.377 40 10 GGCBLN CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000408810636 528333906 /nfs/dbraw/zinc/33/39/06/528333906.db2.gz PQFMPCJIQUQMEA-GZTJUZNOSA-N 0 2 394.427 3.377 40 10 GGCBLN CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408805825 528634976 /nfs/dbraw/zinc/63/49/76/528634976.db2.gz LSSDMLZDMLKCDP-SFQUDFHCSA-N 0 2 380.400 3.150 40 10 GGCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408799775 528641047 /nfs/dbraw/zinc/64/10/47/528641047.db2.gz KZLZORHZKCZTCD-QGOAFFKASA-N 0 2 380.400 3.150 40 10 GGCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)c1 ZINC000408785214 528660378 /nfs/dbraw/zinc/66/03/78/528660378.db2.gz ZZQVBJCPCNOBBT-RIYZIHGNSA-N 0 2 386.791 3.111 40 10 GGCBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O)C2=O)cc1 ZINC000408898762 528677516 /nfs/dbraw/zinc/67/75/16/528677516.db2.gz MLVSDGSNJAOVFC-LGMDPLHJSA-N 0 2 380.400 3.238 40 10 GGCBLN CC(=O)n1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)c2ccccc21 ZINC000013576038 534961273 /nfs/dbraw/zinc/96/12/73/534961273.db2.gz ZLZNXRSSXFQIBG-BOPFTXTBSA-N 0 2 387.395 3.276 40 10 GGCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1O ZINC000108981461 565020053 /nfs/dbraw/zinc/02/00/53/565020053.db2.gz RYNMEXQCDFPHHP-GHXNOFRVSA-N 0 2 393.624 3.270 40 10 GGCBLN COc1ccc(N2N=C(C)C(C=Nc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)C2=O)cc1 ZINC000100958980 570279736 /nfs/dbraw/zinc/27/97/36/570279736.db2.gz HSAWIBYIKYYNIY-GDNBJRDFSA-N 0 2 397.347 3.230 40 10 GGCBLN C#CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000035203048 570380776 /nfs/dbraw/zinc/38/07/76/570380776.db2.gz SIKTUIKFQFHKJW-ZROIWOOFSA-N 0 2 387.222 3.467 40 10 GGCBLN Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 ZINC000223322855 570458655 /nfs/dbraw/zinc/45/86/55/570458655.db2.gz ZWEKXQPUHQAANY-UHFFFAOYSA-N 0 2 387.442 3.354 40 10 GGCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 ZINC000006188621 570471500 /nfs/dbraw/zinc/47/15/00/570471500.db2.gz WENNICYUNJBJEQ-YBEGLDIGSA-N 0 2 379.372 3.186 40 10 GGCBLN CSc1nnc2c(n1)O[C@@H](c1cc([N+](=O)[O-])ccc1O)Nc1ccccc1-2 ZINC000036237468 570559494 /nfs/dbraw/zinc/55/94/94/570559494.db2.gz LZMFSFDDDUGIFG-HNNXBMFYSA-N 0 2 383.389 3.377 40 10 GGCBLN COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000059135035 570650211 /nfs/dbraw/zinc/65/02/11/570650211.db2.gz CWIAZQAEDHTWDE-MDWZMJQESA-N 0 2 385.307 3.249 40 10 GGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC ZINC000006355435 570741201 /nfs/dbraw/zinc/74/12/01/570741201.db2.gz MJMYNVIYBALUNQ-RVDMUPIBSA-N 0 2 380.400 3.069 40 10 GGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1O ZINC000006479365 570743594 /nfs/dbraw/zinc/74/35/94/570743594.db2.gz FXKTWEXRWIFKKW-KPKJPENVSA-N 0 2 386.791 3.029 40 10 GGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNNc3ccc(C)c(C)c3)C2=O)c(C)c1 ZINC000016284844 570920601 /nfs/dbraw/zinc/92/06/01/570920601.db2.gz JAHCSNFEJSWCGG-GZTJUZNOSA-N 0 2 378.432 3.004 40 10 GGCBLN