smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC001588497466 983539222 /nfs/dbraw/zinc/53/92/22/983539222.db2.gz IEDGXWPTETZSOP-SFHVURJKSA-N -1 3 327.355 3.062 20 30 EGEDHM C=C(C)CCN(C)[C@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001588559972 983641017 /nfs/dbraw/zinc/64/10/17/983641017.db2.gz WQMMAADPDLKDMC-AWEZNQCLSA-N -1 3 342.233 3.481 20 30 EGEDHM C=CCN1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001588838756 984340795 /nfs/dbraw/zinc/34/07/95/984340795.db2.gz ITMQZGOUJMOZCH-UHFFFAOYSA-N -1 3 339.779 3.009 20 30 EGEDHM C=CCOc1ccc(CNCc2[nH]cc(C(=O)[O-])c2C2CC2)cc1 ZINC001588872952 984443689 /nfs/dbraw/zinc/44/36/89/984443689.db2.gz UZJFEFYAUIOIBO-UHFFFAOYSA-N -1 3 326.396 3.445 20 30 EGEDHM COc1cccc([C@](C)(CC(=O)[O-])NCc2ccc(C#N)cc2C)c1 ZINC001599655331 994569962 /nfs/dbraw/zinc/56/99/62/994569962.db2.gz JPPWPJDJVZBZQL-FQEVSTJZSA-N -1 3 338.407 3.355 20 30 EGEDHM C[C@@H](NCc1cc(C#N)cnc1Cl)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593288766 994659303 /nfs/dbraw/zinc/65/93/03/994659303.db2.gz NGAAPAWABUNPNJ-WBMJQRKESA-N -1 3 343.814 3.028 20 30 EGEDHM CC1(C)CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)Cc2ccccc2O1 ZINC001593941192 996960434 /nfs/dbraw/zinc/96/04/34/996960434.db2.gz ZAYOHGJLIYQOME-SFHVURJKSA-N -1 3 336.391 3.357 20 30 EGEDHM C=CCCS(=O)(=O)[N-]c1cnn(-c2ccccc2Cl)c1CC ZINC000189450702 201048905 /nfs/dbraw/zinc/04/89/05/201048905.db2.gz ZRSXYLPTAJDUNK-UHFFFAOYSA-N -1 3 339.848 3.406 20 30 EGEDHM C=CCN(C(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000271420327 201244459 /nfs/dbraw/zinc/24/44/59/201244459.db2.gz UYXRUVNBTWFGQF-UHFFFAOYSA-N -1 3 325.206 3.015 20 30 EGEDHM Cc1ccc([O-])c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104918229 204126327 /nfs/dbraw/zinc/12/63/27/204126327.db2.gz VEGFQKSCLBFBBY-UHFFFAOYSA-N -1 3 336.391 3.256 20 30 EGEDHM Cc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC000133210125 205362021 /nfs/dbraw/zinc/36/20/21/205362021.db2.gz JGJUEKBMWGDDQE-RDTXWAMCSA-N -1 3 346.452 3.004 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000176668159 207249256 /nfs/dbraw/zinc/24/92/56/207249256.db2.gz HSYAPXGPGBLCLA-YVEFUNNKSA-N -1 3 343.471 3.127 20 30 EGEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(C#N)c3C)cc2)n1 ZINC000337852049 141067034 /nfs/dbraw/zinc/06/70/34/141067034.db2.gz GBOCBSXSBBPBDD-UHFFFAOYSA-N -1 3 344.374 3.178 20 30 EGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000184868417 144100424 /nfs/dbraw/zinc/10/04/24/144100424.db2.gz CJVACZHGJYTSQW-UHFFFAOYSA-N -1 3 336.800 3.330 20 30 EGEDHM N#Cc1cccc(OCc2cccc(C(=O)Nc3ncccc3[O-])c2)c1 ZINC000115707876 152027823 /nfs/dbraw/zinc/02/78/23/152027823.db2.gz YHNHITYNENDLJH-UHFFFAOYSA-N -1 3 345.358 3.490 20 30 EGEDHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1 ZINC000317970307 154160131 /nfs/dbraw/zinc/16/01/31/154160131.db2.gz CCPCJINLDIYVLD-UHFFFAOYSA-N -1 3 334.784 3.215 20 30 EGEDHM CCc1ccc([O-])c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 ZINC000336976410 163096361 /nfs/dbraw/zinc/09/63/61/163096361.db2.gz OXVCNRUXXNNBOC-UHFFFAOYSA-N -1 3 332.363 3.264 20 30 EGEDHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)C(F)(F)F ZINC000443933752 270052476 /nfs/dbraw/zinc/05/24/76/270052476.db2.gz HXHBQWAODCCRBE-NOZJJQNGSA-N -1 3 334.363 3.122 20 30 EGEDHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c(C)c1 ZINC000194729700 266140906 /nfs/dbraw/zinc/14/09/06/266140906.db2.gz JCLGKBLOOWRMDY-UHFFFAOYSA-N -1 3 330.409 3.375 20 30 EGEDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180085351 266346126 /nfs/dbraw/zinc/34/61/26/266346126.db2.gz WIEAEVRZBISQCK-QWHCGFSZSA-N -1 3 344.889 3.164 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2c2ccccc2)c(F)c1 ZINC000523567925 268260184 /nfs/dbraw/zinc/26/01/84/268260184.db2.gz LFUJSJAIRSZFJS-RDJZCZTQSA-N -1 3 344.411 3.312 20 30 EGEDHM CCOC(=O)c1ccc(C(=O)[N-]c2sc(C)c(CC)c2C#N)nc1 ZINC000410434363 269667256 /nfs/dbraw/zinc/66/72/56/269667256.db2.gz NNCJBPHIPHAETQ-UHFFFAOYSA-N -1 3 343.408 3.315 20 30 EGEDHM N#Cc1c([N-]C(=O)c2ccc3nccnc3n2)sc2c1CCCCC2 ZINC000571405878 317195324 /nfs/dbraw/zinc/19/53/24/317195324.db2.gz FGGXICRDSXKVAI-UHFFFAOYSA-N -1 3 349.419 3.479 20 30 EGEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469361788 458567248 /nfs/dbraw/zinc/56/72/48/458567248.db2.gz HXJJHDWLMZJTSG-LLVKDONJSA-N -1 3 329.849 3.372 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)c1ccccc1 ZINC000012600237 453381603 /nfs/dbraw/zinc/38/16/03/453381603.db2.gz BTXKLTNFPVFURK-OAHLLOKOSA-N -1 3 337.423 3.016 20 30 EGEDHM C=CCNC(=O)[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000015812438 453585709 /nfs/dbraw/zinc/58/57/09/453585709.db2.gz FFRBUGWRAICWPJ-SECBINFHSA-N -1 3 338.433 3.204 20 30 EGEDHM Cc1ncc(CO)c(/C=N/c2cccc(OCC(F)(F)F)c2)c1[O-] ZINC000032069281 453863162 /nfs/dbraw/zinc/86/31/62/453863162.db2.gz OXRXIGKMLLGMJL-QPSGOUHRSA-N -1 3 340.301 3.280 20 30 EGEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000054702045 453943240 /nfs/dbraw/zinc/94/32/40/453943240.db2.gz VHURQCUCMJHORT-QGZVFWFLSA-N -1 3 342.782 3.254 20 30 EGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000041521745 453970056 /nfs/dbraw/zinc/97/00/56/453970056.db2.gz PWJOAKGQNJKFJV-CVEARBPZSA-N -1 3 342.420 3.499 20 30 EGEDHM COCc1nc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)cs1 ZINC000068461833 454028988 /nfs/dbraw/zinc/02/89/88/454028988.db2.gz MXCTYEORVCWCPU-UHFFFAOYSA-N -1 3 349.803 3.364 20 30 EGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000182007123 455415261 /nfs/dbraw/zinc/41/52/61/455415261.db2.gz FMEGSSRBPGHAHG-YGRLFVJLSA-N -1 3 330.812 3.230 20 30 EGEDHM CCOC(=O)c1sc([N-]C(=O)c2c(C)onc2CC)c(C#N)c1C ZINC000060538191 454299339 /nfs/dbraw/zinc/29/93/39/454299339.db2.gz PJGKHQNJAKYAOM-UHFFFAOYSA-N -1 3 347.396 3.216 20 30 EGEDHM C=C(C)CN1CCC(NC(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000080026038 454520469 /nfs/dbraw/zinc/52/04/69/454520469.db2.gz GEEOLWOGGNIARJ-UHFFFAOYSA-N -1 3 343.254 3.469 20 30 EGEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2CCCN(c3ccccc3F)C2)c1O ZINC000134453139 454544815 /nfs/dbraw/zinc/54/48/15/454544815.db2.gz CHWBLEILXJRSHX-RNDVCUHJSA-N -1 3 330.359 3.030 20 30 EGEDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C#N)ccc3Cl)ccc2O1 ZINC000123724395 454669948 /nfs/dbraw/zinc/66/99/48/454669948.db2.gz XIZCHAUAXDKUHH-SNVBAGLBSA-N -1 3 348.811 3.336 20 30 EGEDHM COc1cc(C([O-])=C(C#N)c2ccccn2)sc1Br ZINC000136533535 454746646 /nfs/dbraw/zinc/74/66/46/454746646.db2.gz KKCOXRLJRBFTJN-QMMMGPOBSA-N -1 3 337.198 3.404 20 30 EGEDHM N#Cc1ccc(NCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000125401259 454818339 /nfs/dbraw/zinc/81/83/39/454818339.db2.gz YHFCUXKOQYZRAI-UHFFFAOYSA-N -1 3 335.285 3.333 20 30 EGEDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000154039455 454859950 /nfs/dbraw/zinc/85/99/50/454859950.db2.gz PHGIWUDVWPBGKI-UHFFFAOYSA-N -1 3 343.452 3.038 20 30 EGEDHM N#Cc1ccc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)cn1 ZINC000115071466 454995422 /nfs/dbraw/zinc/99/54/22/454995422.db2.gz BXZMPHLZWDXLCW-UHFFFAOYSA-N -1 3 341.783 3.377 20 30 EGEDHM Cc1ccc(Cc2nnc([N-]C(=O)c3ccc(C#N)c(C)n3)s2)cc1 ZINC000170975616 455009057 /nfs/dbraw/zinc/00/90/57/455009057.db2.gz IHFXHRFLQARCNX-UHFFFAOYSA-N -1 3 349.419 3.265 20 30 EGEDHM N#CC(=C([O-])c1ccccc1COC1CCOCC1)c1ccccn1 ZINC000128699341 455078157 /nfs/dbraw/zinc/07/81/57/455078157.db2.gz NHCCJBLURRNUQT-GOSISDBHSA-N -1 3 336.391 3.267 20 30 EGEDHM Cc1ncc(CO)c(/C=N/CCc2ccc(Br)cc2)c1[O-] ZINC000265320573 455304020 /nfs/dbraw/zinc/30/40/20/455304020.db2.gz NMTRTOUSGIMWGN-GIJQJNRQSA-N -1 3 349.228 3.012 20 30 EGEDHM COCCCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000175082293 455422010 /nfs/dbraw/zinc/42/20/10/455422010.db2.gz SIKLCVCXBVDUOJ-HNNXBMFYSA-N -1 3 330.409 3.357 20 30 EGEDHM N#Cc1ccsc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182481631 455522006 /nfs/dbraw/zinc/52/20/06/455522006.db2.gz WHGANOMVJQFLFY-UHFFFAOYSA-N -1 3 339.279 3.382 20 30 EGEDHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)cc1F ZINC000161173116 455544112 /nfs/dbraw/zinc/54/41/12/455544112.db2.gz QNDCOKYMUJIIIM-CQSZACIVSA-N -1 3 328.384 3.024 20 30 EGEDHM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000192761024 455687360 /nfs/dbraw/zinc/68/73/60/455687360.db2.gz OZAGJUFBJFXXCZ-UHFFFAOYSA-N -1 3 342.420 3.223 20 30 EGEDHM Cn1nccc1N1CCC[C@H](/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000278220972 455790178 /nfs/dbraw/zinc/79/01/78/455790178.db2.gz UIXOBGCCXXBJFB-REIAIGDLSA-N -1 3 334.423 3.367 20 30 EGEDHM COC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(Cl)cc1 ZINC000278317425 455815927 /nfs/dbraw/zinc/81/59/27/455815927.db2.gz SZNVLKUABIUSEE-YSNFCQRUSA-N -1 3 334.803 3.048 20 30 EGEDHM CC[C@@H](CC#N)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000294911140 455832346 /nfs/dbraw/zinc/83/23/46/455832346.db2.gz IGGVKLPVZUPJNJ-VIFPVBQESA-N -1 3 331.160 3.349 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCOc3c(F)cccc32)c1[O-] ZINC000272085124 455842106 /nfs/dbraw/zinc/84/21/06/455842106.db2.gz CHQSAGGVXWNOBO-MSGYXIIISA-N -1 3 330.359 3.060 20 30 EGEDHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c1 ZINC000272428530 455947033 /nfs/dbraw/zinc/94/70/33/455947033.db2.gz NAGYPICMOOZOHN-HNNXBMFYSA-N -1 3 342.848 3.149 20 30 EGEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000286458809 456047788 /nfs/dbraw/zinc/04/77/88/456047788.db2.gz OMOLQZOIEZCFJE-SECBINFHSA-N -1 3 340.754 3.329 20 30 EGEDHM C=C(C)COc1cccc(NC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000337502453 456357721 /nfs/dbraw/zinc/35/77/21/456357721.db2.gz WUYFAMGOPFUMPE-UHFFFAOYSA-N -1 3 326.331 3.304 20 30 EGEDHM C=C(C)COc1cccc(NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000337502453 456357725 /nfs/dbraw/zinc/35/77/25/456357725.db2.gz WUYFAMGOPFUMPE-UHFFFAOYSA-N -1 3 326.331 3.304 20 30 EGEDHM C=C(C)COc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000337502453 456357733 /nfs/dbraw/zinc/35/77/33/456357733.db2.gz WUYFAMGOPFUMPE-UHFFFAOYSA-N -1 3 326.331 3.304 20 30 EGEDHM C=CCCS(=O)(=O)[N-]c1ccc(F)cc1OCCC(F)(F)F ZINC000282116120 456415519 /nfs/dbraw/zinc/41/55/19/456415519.db2.gz KDUYZFCXKMGCKB-UHFFFAOYSA-N -1 3 341.326 3.475 20 30 EGEDHM C=CCOc1ccc(CN[C@@]2(C(=O)[O-])CCOc3ccccc32)cc1 ZINC000340690709 456627718 /nfs/dbraw/zinc/62/77/18/456627718.db2.gz LXSNHQHYJVZBSR-FQEVSTJZSA-N -1 3 339.391 3.104 20 30 EGEDHM N#CCCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000343947285 456783901 /nfs/dbraw/zinc/78/39/01/456783901.db2.gz CBGDSIZRJRVVIM-UHFFFAOYSA-N -1 3 341.845 3.046 20 30 EGEDHM C=CCOc1cccnc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000353607735 456799164 /nfs/dbraw/zinc/79/91/64/456799164.db2.gz VKVVDNXTJJGQFI-UHFFFAOYSA-N -1 3 344.421 3.479 20 30 EGEDHM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000344633438 456842518 /nfs/dbraw/zinc/84/25/18/456842518.db2.gz KFWZWAQDDUODSV-INIZCTEOSA-N -1 3 343.390 3.001 20 30 EGEDHM CCc1ncc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)s1 ZINC000359218491 457065444 /nfs/dbraw/zinc/06/54/44/457065444.db2.gz SNGUMXUVAKGALH-ZDUSSCGKSA-N -1 3 335.454 3.029 20 30 EGEDHM C[C@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C1CCCC1 ZINC000330769747 457082757 /nfs/dbraw/zinc/08/27/57/457082757.db2.gz ZYJVLIFUYYXSRF-JTQLQIEISA-N -1 3 328.409 3.081 20 30 EGEDHM COC(=O)C1(NC(=O)c2ccc(C(C)C)cc2[O-])CCSCC1 ZINC000331245280 457152503 /nfs/dbraw/zinc/15/25/03/457152503.db2.gz TXWBVYXAUQPGJP-UHFFFAOYSA-N -1 3 337.441 3.259 20 30 EGEDHM CC(C)OCc1cc(NC(=O)c2ncc(C#N)cc2Cl)ccc1[O-] ZINC000356861816 457184551 /nfs/dbraw/zinc/18/45/51/457184551.db2.gz ONDGFTVMXJOSEX-UHFFFAOYSA-N -1 3 345.786 3.490 20 30 EGEDHM N#CC(=C([O-])c1ccc(Br)c(Cl)c1)c1ccncn1 ZINC000354476569 457248153 /nfs/dbraw/zinc/24/81/53/457248153.db2.gz ZGPFBJBTVQDVBH-VIFPVBQESA-N -1 3 336.576 3.383 20 30 EGEDHM CCOC(=O)c1ccc(NC(=O)c2cc(C#N)ccc2Cl)c([O-])c1 ZINC000354479008 457248648 /nfs/dbraw/zinc/24/86/48/457248648.db2.gz PDMTWDQGKGYRSJ-UHFFFAOYSA-N -1 3 344.754 3.346 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2cc(N(C)C)c3ccccc3n2)nc(C)n1 ZINC000355107970 457342618 /nfs/dbraw/zinc/34/26/18/457342618.db2.gz ZMDJJPOZBXYVBI-OAHLLOKOSA-N -1 3 345.406 3.198 20 30 EGEDHM CC(C)(C)CN(CCC#N)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000355317915 457355700 /nfs/dbraw/zinc/35/57/00/457355700.db2.gz MBYVEEDRFLZXAN-UHFFFAOYSA-N -1 3 347.365 3.208 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cc(F)cc2Cl)o1 ZINC000342560703 457367352 /nfs/dbraw/zinc/36/73/52/457367352.db2.gz BWASOXJXGRPMEX-UHFFFAOYSA-N -1 3 335.143 3.398 20 30 EGEDHM COc1cc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc(OC)c1[O-] ZINC000425135851 457449283 /nfs/dbraw/zinc/44/92/83/457449283.db2.gz WBHIOFCKSUSEKB-LBPRGKRZSA-N -1 3 340.379 3.114 20 30 EGEDHM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1cc(C(F)(F)F)ccn1 ZINC000362117497 458031595 /nfs/dbraw/zinc/03/15/95/458031595.db2.gz KDUIWUIDNNNOGL-LBPRGKRZSA-N -1 3 348.284 3.081 20 30 EGEDHM N#CC(=C([O-])c1cn2ccccc2n1)c1nc(-c2ccncc2)cs1 ZINC000358626601 458116359 /nfs/dbraw/zinc/11/63/59/458116359.db2.gz LZZKIOKABINYJQ-CYBMUJFWSA-N -1 3 345.387 3.343 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(C)(C)c1ccccc1 ZINC000435434120 458146697 /nfs/dbraw/zinc/14/66/97/458146697.db2.gz WIVXSCQKYYPYAW-GFCCVEGCSA-N -1 3 334.466 3.264 20 30 EGEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000412811828 458286004 /nfs/dbraw/zinc/28/60/04/458286004.db2.gz DCPIPGBQPLCJKN-INIZCTEOSA-N -1 3 341.407 3.327 20 30 EGEDHM Cc1nc(-c2ccc(NC(=O)NCC(C)(C)CC#N)cc2)cc(=O)[n-]1 ZINC000459254527 458303488 /nfs/dbraw/zinc/30/34/88/458303488.db2.gz FRPWRWLCLRLLRX-UHFFFAOYSA-N -1 3 339.399 3.219 20 30 EGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459360530 458343402 /nfs/dbraw/zinc/34/34/02/458343402.db2.gz OQCNXEQJRHJQEC-MSOLQXFVSA-N -1 3 334.423 3.331 20 30 EGEDHM N#C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(C(F)(F)F)c1 ZINC000436616357 458345030 /nfs/dbraw/zinc/34/50/30/458345030.db2.gz JCVHKJJWUNNATD-ZDUSSCGKSA-N -1 3 336.269 3.111 20 30 EGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3c[nH]c(C(F)(F)F)c3)nc1-2 ZINC000429666150 458356249 /nfs/dbraw/zinc/35/62/49/458356249.db2.gz DAPFVCMGQLHSQJ-VIFPVBQESA-N 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CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(Br)cc1[O-] ZINC000780241725 1304661528 /nfs/dbraw/zinc/66/15/28/1304661528.db2.gz UJKHRZFJXZWWHZ-LBPRGKRZSA-N -1 3 341.249 3.426 20 30 EGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2cccc(Cl)c2o1 ZINC000783069762 1305043920 /nfs/dbraw/zinc/04/39/20/1305043920.db2.gz NTCJIDIIKKKYNP-NSHDSACASA-N -1 3 339.738 3.442 20 30 EGEDHM O=C1[C@H](/N=C\c2cc(Cl)ccc2[O-])CCCN1Cc1ccccn1 ZINC000783682764 1305128653 /nfs/dbraw/zinc/12/86/53/1305128653.db2.gz ZUFNVVPBCSLOGX-NBZOHKLQSA-N -1 3 343.814 3.051 20 30 EGEDHM CS(=O)(=O)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])s1 ZINC000787142037 1305697151 /nfs/dbraw/zinc/69/71/51/1305697151.db2.gz RHVKATGXDWHAJE-VIZOYTHASA-N -1 3 329.830 3.130 20 30 EGEDHM COc1cccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n1 ZINC000901377871 1317413694 /nfs/dbraw/zinc/41/36/94/1317413694.db2.gz AVCJYXNVQPOGNQ-UHFFFAOYSA-N -1 3 327.167 3.429 20 30 EGEDHM N#Cc1ccsc1[N-]C(=O)c1nc(Br)ccc1F ZINC000791456600 1309003211 /nfs/dbraw/zinc/00/32/11/1309003211.db2.gz 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C=CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000154420440 454894870 /nfs/dbraw/zinc/89/48/70/454894870.db2.gz XHTCCXWRWGHGJZ-OAHLLOKOSA-N -1 3 349.408 3.052 20 30 EGEDHM CCCOc1ccc(/C=N/CC2(C(=O)N(C)C)CCCC2)c([O-])c1 ZINC000113006280 454911264 /nfs/dbraw/zinc/91/12/64/454911264.db2.gz WKYIFJPNZWXYNP-DEDYPNTBSA-N -1 3 332.444 3.249 20 30 EGEDHM Cc1cc(C)n(Cc2cccc(C([O-])=C(C#N)c3ccccn3)c2)n1 ZINC000155462518 455005007 /nfs/dbraw/zinc/00/50/07/455005007.db2.gz YTUGMVJYRNLRAU-GOSISDBHSA-N -1 3 330.391 3.433 20 30 EGEDHM CCC(CC)n1nccc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000151734939 455023415 /nfs/dbraw/zinc/02/34/15/455023415.db2.gz LQHMNLGDHWKVJA-AWEZNQCLSA-N -1 3 340.431 3.052 20 30 EGEDHM N#CC(=C([O-])c1cccc2[nH]c(=O)oc21)c1ccc(C(F)(F)F)cn1 ZINC000152078035 455069789 /nfs/dbraw/zinc/06/97/89/455069789.db2.gz RWBZJQOIMOTEPC-SNVBAGLBSA-N -1 3 347.252 3.025 20 30 EGEDHM C=C(C)CN(C)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000181289570 455313787 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Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncsc1C(C)C ZINC000288931212 456108393 /nfs/dbraw/zinc/10/83/93/456108393.db2.gz TYXQRABDGXNTKH-UHFFFAOYSA-N -1 3 344.440 3.427 20 30 EGEDHM COc1ccccc1[C@H](C/N=C/c1ccc(O)c([O-])c1O)OC(C)C ZINC000274547649 456261500 /nfs/dbraw/zinc/26/15/00/456261500.db2.gz VRKTXMKORZAPKU-MZYRPWKCSA-N -1 3 345.395 3.397 20 30 EGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4ncccc4c3)nc1-2 ZINC000340245270 456337471 /nfs/dbraw/zinc/33/74/71/456337471.db2.gz RCNSINPMLBLVNH-AWEZNQCLSA-N -1 3 327.347 3.305 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCOc3c(Cl)cccc32)c1[O-] ZINC000299176682 456628123 /nfs/dbraw/zinc/62/81/23/456628123.db2.gz YDGYFGPZDAEXSH-IGSPZPEDSA-N -1 3 332.787 3.184 20 30 EGEDHM Cc1cc(NCc2cnc(C)[n-]c2=O)n2c3ccccc3nc2c1C#N ZINC000343603608 456736299 /nfs/dbraw/zinc/73/62/99/456736299.db2.gz MTRDMILNOMRQPD-UHFFFAOYSA-N -1 3 344.378 3.084 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1C(F)(F)F ZINC000344301395 456815909 /nfs/dbraw/zinc/81/59/09/456815909.db2.gz IULIMEUGKYUJRA-VIFPVBQESA-N -1 3 344.314 3.210 20 30 EGEDHM Cn1c(C(C#N)=C([O-])c2cc(F)cc([N+](=O)[O-])c2)nc2ccccc21 ZINC000344557100 456837586 /nfs/dbraw/zinc/83/75/86/456837586.db2.gz VTLHETAHGIQOBL-ZDUSSCGKSA-N -1 3 338.298 3.111 20 30 EGEDHM N#Cc1ccncc1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000341943056 457017239 /nfs/dbraw/zinc/01/72/39/457017239.db2.gz MDSJZMXNJRTCCD-UHFFFAOYSA-N -1 3 341.783 3.377 20 30 EGEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000330917939 457103663 /nfs/dbraw/zinc/10/36/63/457103663.db2.gz MJTHXRBRGAYYDH-JTQLQIEISA-N -1 3 340.754 3.185 20 30 EGEDHM C=CCSc1ccccc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000362849937 457123671 /nfs/dbraw/zinc/12/36/71/457123671.db2.gz IUJJHLGFLPQPEQ-UHFFFAOYSA-N -1 3 337.408 3.397 20 30 EGEDHM C=CCSc1ccccc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000362849937 457123675 /nfs/dbraw/zinc/12/36/75/457123675.db2.gz IUJJHLGFLPQPEQ-UHFFFAOYSA-N -1 3 337.408 3.397 20 30 EGEDHM C=CCSc1ccccc1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000362849937 457123679 /nfs/dbraw/zinc/12/36/79/457123679.db2.gz IUJJHLGFLPQPEQ-UHFFFAOYSA-N -1 3 337.408 3.397 20 30 EGEDHM CC(C)c1cc(C(=O)N[C@]2(CCO)CCOC2)c([O-])c(C(C)C)c1 ZINC000331331032 457168105 /nfs/dbraw/zinc/16/81/05/457168105.db2.gz HREDASBKRRCAKR-LJQANCHMSA-N -1 3 335.444 3.485 20 30 EGEDHM O=C(COC(F)F)[N-][C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000354660649 457303078 /nfs/dbraw/zinc/30/30/78/457303078.db2.gz TVDKBQVAGFFPOY-VIFPVBQESA-N -1 3 349.202 3.247 20 30 EGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000342447162 457308832 /nfs/dbraw/zinc/30/88/32/457308832.db2.gz LYLXDQSCUUDBSC-DOMZBBRYSA-N -1 3 326.849 3.232 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)cn1 ZINC000342633217 457416875 /nfs/dbraw/zinc/41/68/75/457416875.db2.gz FVBIRNUFYRPYGI-UHFFFAOYSA-N -1 3 343.742 3.345 20 30 EGEDHM COc1ccc(Br)cc1C([O-])=C(C#N)c1ccccn1 ZINC000383535588 457425199 /nfs/dbraw/zinc/42/51/99/457425199.db2.gz NVIDFHNELBMMTH-LBPRGKRZSA-N -1 3 331.169 3.343 20 30 EGEDHM Cc1cc(C(=O)Nc2cc(C)ccc2[O-])nn1-c1cccc(C#N)c1 ZINC000356402056 457607832 /nfs/dbraw/zinc/60/78/32/457607832.db2.gz DJGFVZWPMQCPEY-UHFFFAOYSA-N -1 3 332.363 3.319 20 30 EGEDHM COc1cc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)ccc1[O-] ZINC000357602691 457617566 /nfs/dbraw/zinc/61/75/66/457617566.db2.gz XRVSAFGGIRLWEA-UHFFFAOYSA-N -1 3 349.308 3.201 20 30 EGEDHM CCc1cc(C#N)c([N-]C(=O)c2ccc(C(=O)OC)cc2F)s1 ZINC000361836684 457897634 /nfs/dbraw/zinc/89/76/34/457897634.db2.gz HAWPHFUHEYKDFU-UHFFFAOYSA-N -1 3 332.356 3.360 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC=C(c2ccccc2)C1 ZINC000371494997 457962163 /nfs/dbraw/zinc/96/21/63/457962163.db2.gz AKGYQUFZDWWCHD-UHFFFAOYSA-N -1 3 347.418 3.134 20 30 EGEDHM Cc1cc(C)c2[n-]cc(C(=O)N3CCCC(C)(C)[C@H]3C#N)c(=O)c2c1 ZINC000434499816 458007785 /nfs/dbraw/zinc/00/77/85/458007785.db2.gz NUZWWRIAHJTEDW-MRXNPFEDSA-N -1 3 337.423 3.299 20 30 EGEDHM CCSc1nccnc1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000362338442 458113089 /nfs/dbraw/zinc/11/30/89/458113089.db2.gz 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N#CC1(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)CCCC1 ZINC000590556220 459148175 /nfs/dbraw/zinc/14/81/75/459148175.db2.gz BAUTZAWTRYOLEE-UHFFFAOYSA-N -1 3 332.367 3.042 20 30 EGEDHM C=CCOc1cccc([N-]S(=O)(=O)CCOc2ccccc2)c1 ZINC000579409175 459246416 /nfs/dbraw/zinc/24/64/16/459246416.db2.gz GLKAXUKOLCJUFQ-UHFFFAOYSA-N -1 3 333.409 3.072 20 30 EGEDHM Cc1nc(-c2ccc(NC(=O)N(CCC#N)C(C)C)cc2)cc(=O)[n-]1 ZINC000579518567 459248021 /nfs/dbraw/zinc/24/80/21/459248021.db2.gz LZJLABRQZLMUIV-UHFFFAOYSA-N -1 3 339.399 3.314 20 30 EGEDHM CC1(C#N)CN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)C1 ZINC000581080723 459267521 /nfs/dbraw/zinc/26/75/21/459267521.db2.gz XKQZZNPFNIHDEY-UHFFFAOYSA-N -1 3 336.420 3.409 20 30 EGEDHM COc1cccc2c(C(=O)N(CCC#N)c3ccc(F)cc3)[n-]nc21 ZINC000583238887 459505406 /nfs/dbraw/zinc/50/54/06/459505406.db2.gz TVSQUMADLXABHZ-UHFFFAOYSA-N -1 3 338.342 3.271 20 30 EGEDHM COc1cccc2c(C(=O)N(CCC#N)c3ccc(F)cc3)n[n-]c21 ZINC000583238887 459505414 /nfs/dbraw/zinc/50/54/14/459505414.db2.gz TVSQUMADLXABHZ-UHFFFAOYSA-N -1 3 338.342 3.271 20 30 EGEDHM C=CCN(CC=C)[C@H](CN=c1[n-]nc(-c2ccccn2)s1)C(C)C ZINC000498899035 459610637 /nfs/dbraw/zinc/61/06/37/459610637.db2.gz DJDHAYQYIBWNIF-MRXNPFEDSA-N -1 3 343.500 3.133 20 30 EGEDHM C=CCn1cc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)nn1 ZINC000592636175 459652578 /nfs/dbraw/zinc/65/25/78/459652578.db2.gz HQTDLEBCPLSRRT-WDEREUQCSA-N -1 3 341.440 3.335 20 30 EGEDHM C=C[C@H](C)O[N-]C(=O)/C=C/c1cc(Cl)c(OC)c(OCC)c1 ZINC000493137714 459734442 /nfs/dbraw/zinc/73/44/42/459734442.db2.gz GDJHYJQRCAASQM-AEZGRPFRSA-N -1 3 325.792 3.383 20 30 EGEDHM COc1cncc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)n1 ZINC000584505049 459755508 /nfs/dbraw/zinc/75/55/08/459755508.db2.gz BRSUDOYBGYTZGC-UHFFFAOYSA-N -1 3 342.424 3.330 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000593254465 459821926 /nfs/dbraw/zinc/82/19/26/459821926.db2.gz KTNOISGOIUYBLK-XJKSGUPXSA-N -1 3 329.444 3.149 20 30 EGEDHM CC(C)(CC[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000610084767 460061163 /nfs/dbraw/zinc/06/11/63/460061163.db2.gz WDPWNWHBUQABPJ-UHFFFAOYSA-N -1 3 346.427 3.344 20 30 EGEDHM CCN(CC)[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000614292968 460082667 /nfs/dbraw/zinc/08/26/67/460082667.db2.gz KLXJAICILDPKNX-IBGZPJMESA-N -1 3 337.423 3.077 20 30 EGEDHM C[C@H](c1ccccc1)N1CCC(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614369951 460118635 /nfs/dbraw/zinc/11/86/35/460118635.db2.gz DMGIXUZQOFMKEP-OAHLLOKOSA-N -1 3 349.434 3.219 20 30 EGEDHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccccc1CC#N)C(F)(F)F ZINC000601404077 460805780 /nfs/dbraw/zinc/80/57/80/460805780.db2.gz GISUNAWDIMIAIQ-GXFFZTMASA-N -1 3 334.363 3.008 20 30 EGEDHM N#Cc1ccc(N2CCC(/N=C\c3cc(Cl)ccc3[O-])CC2)nc1 ZINC000727265577 574656164 /nfs/dbraw/zinc/65/61/64/574656164.db2.gz UZTKCLNOVIUGNF-MTJSOVHGSA-N -1 3 340.814 3.400 20 30 EGEDHM COc1cccc(N2CC[C@@H](/N=C\c3c([O-])cccc3OC)C2)c1 ZINC000728174599 574725848 /nfs/dbraw/zinc/72/58/48/574725848.db2.gz WOTSMUGYKSCLAD-FAPYRAKZSA-N -1 3 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Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000121770047 1293389148 /nfs/dbraw/zinc/38/91/48/1293389148.db2.gz XCEJPVTWEMRFEG-MRXNPFEDSA-N -1 3 337.335 3.173 20 30 EGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(Cl)c(Cl)c1 ZINC000125153833 1293497514 /nfs/dbraw/zinc/49/75/14/1293497514.db2.gz RPGPHIHSNPUKSO-SNVBAGLBSA-N -1 3 334.162 3.350 20 30 EGEDHM N#Cc1cccc(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)c1 ZINC000161060471 1294285048 /nfs/dbraw/zinc/28/50/48/1294285048.db2.gz AQZGASRQZUWDDG-UHFFFAOYSA-N -1 3 340.320 3.435 20 30 EGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2nc(C)ccc2o1 ZINC000179616880 1294808142 /nfs/dbraw/zinc/80/81/42/1294808142.db2.gz UZHYYHAPIMKDAV-LBPRGKRZSA-N -1 3 349.346 3.106 20 30 EGEDHM Cc1ccc(S(=O)(=O)NN=Cc2ccc3ccccc3c2[O-])cc1 ZINC000254754706 1296476521 /nfs/dbraw/zinc/47/65/21/1296476521.db2.gz RASUVFKVTMTNBV-UHFFFAOYSA-N -1 3 340.404 3.166 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1c(F)cccc1F ZINC000751021589 1299498641 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Cc1cccc2cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)oc21 ZINC000737407528 576222076 /nfs/dbraw/zinc/22/20/76/576222076.db2.gz AGOHOPMUXQDQGX-UHFFFAOYSA-N -1 3 344.334 3.045 20 30 EGEDHM Cc1cccc2cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)oc21 ZINC000737409004 576222532 /nfs/dbraw/zinc/22/25/32/576222532.db2.gz LREHFRMQPIQTPI-UHFFFAOYSA-N -1 3 344.334 3.045 20 30 EGEDHM Cc1cccc2cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)oc21 ZINC000737409004 576222536 /nfs/dbraw/zinc/22/25/36/576222536.db2.gz LREHFRMQPIQTPI-UHFFFAOYSA-N -1 3 344.334 3.045 20 30 EGEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000739107295 576378354 /nfs/dbraw/zinc/37/83/54/576378354.db2.gz WFBHVQQWBVMFTM-IBGZPJMESA-N -1 3 348.402 3.279 20 30 EGEDHM CCC(Cc1ccccc1)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448538 576809340 /nfs/dbraw/zinc/80/93/40/576809340.db2.gz UFSWWXFPAJNSDT-UHFFFAOYSA-N -1 3 330.453 3.157 20 30 EGEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cccc2ccccc12 ZINC000743449387 576809419 /nfs/dbraw/zinc/80/94/19/576809419.db2.gz VCALGNDWXSWZMA-UHFFFAOYSA-N -1 3 338.432 3.336 20 30 EGEDHM CC1(c2ccccc2)CC(=N[N-]S(=O)(=O)CCc2ccccc2)C1 ZINC000743448750 576809446 /nfs/dbraw/zinc/80/94/46/576809446.db2.gz CWASXPNLFBFZGS-UHFFFAOYSA-N -1 3 342.464 3.256 20 30 EGEDHM [O-]c1ccc(Cl)cc1C=NN1C(=S)N=NC1[C@H]1CCCCO1 ZINC000743451745 576809479 /nfs/dbraw/zinc/80/94/79/576809479.db2.gz KIKODQPIPDUAEG-GFCCVEGCSA-N -1 3 338.820 3.050 20 30 EGEDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(C#N)cc3)c2)n1 ZINC000744219224 576823506 /nfs/dbraw/zinc/82/35/06/576823506.db2.gz ORZFCEIZJTVKDU-UHFFFAOYSA-N -1 3 331.331 3.249 20 30 EGEDHM Cc1ncc(CO)c(/C=N\CCc2c[nH]c3cc(Cl)ccc23)c1[O-] ZINC000745012520 576838533 /nfs/dbraw/zinc/83/85/33/576838533.db2.gz KOPFXGXSIKMZDZ-UKWGHVSLSA-N -1 3 343.814 3.384 20 30 EGEDHM CCCCC[C@H](C)CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000821048681 599631089 /nfs/dbraw/zinc/63/10/89/599631089.db2.gz FRQIKJWPBZYIRG-LBPRGKRZSA-N -1 3 326.404 3.283 20 30 EGEDHM CCCCC[C@H](C)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000821048681 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CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc3c[nH]nc32)cc1 ZINC000726733328 574568626 /nfs/dbraw/zinc/56/86/26/574568626.db2.gz WEZRUXZCWIKNBB-KRWDZBQOSA-N -1 3 346.390 3.395 20 30 EGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(-c2ccccc2)nn1 ZINC000728698343 574767406 /nfs/dbraw/zinc/76/74/06/574767406.db2.gz HHYNXPIIKDXGNW-RLIURORJSA-N -1 3 335.338 3.495 20 30 EGEDHM CC(=NNC(=S)NCc1ccc(F)cc1)c1ccc([O-])cc1F ZINC000729933289 574897183 /nfs/dbraw/zinc/89/71/83/574897183.db2.gz ZZJXSSCIWMVAIG-UHFFFAOYSA-N -1 3 335.379 3.059 20 30 EGEDHM CCn1c(=O)c2ccccc2nc1NN=C(C)c1ccc([O-])cc1F ZINC000729932448 574897330 /nfs/dbraw/zinc/89/73/30/574897330.db2.gz LFCQFJKTPPFHQH-UHFFFAOYSA-N -1 3 340.358 3.097 20 30 EGEDHM COc1cccc([O-])c1C=Nc1ccc(OCc2noc(C)n2)cc1 ZINC000730952401 575037277 /nfs/dbraw/zinc/03/72/77/575037277.db2.gz VDOHKUXAXDTOGI-UHFFFAOYSA-N -1 3 339.351 3.422 20 30 EGEDHM C#CCOc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000730996083 575042686 /nfs/dbraw/zinc/04/26/86/575042686.db2.gz LVFIYUZBCBIAIN-UHFFFAOYSA-N -1 3 329.421 3.425 20 30 EGEDHM Cc1cc(Br)ccc1C/N=C/c1ccc(O)c([O-])c1O ZINC000731937840 575222729 /nfs/dbraw/zinc/22/27/29/575222729.db2.gz OQQCNGZYTSOGRZ-CAOOACKPSA-N -1 3 336.185 3.493 20 30 EGEDHM [O-]c1c(O)ccc(/C=N/Cc2nc(-c3ccc(Cl)cc3)no2)c1O ZINC000734303125 575463758 /nfs/dbraw/zinc/46/37/58/575463758.db2.gz DQDXHPIGXKSHPQ-CNHKJKLMSA-N -1 3 345.742 3.126 20 30 EGEDHM COc1cccc([O-])c1/C=N/C[C@H](c1c(F)cccc1F)N(C)C ZINC000734303479 575463941 /nfs/dbraw/zinc/46/39/41/575463941.db2.gz QYKWRQPRQGCTOV-SBUZPKSBSA-N -1 3 334.366 3.401 20 30 EGEDHM C=CCCCCCN(C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735408514 575658034 /nfs/dbraw/zinc/65/80/34/575658034.db2.gz MPCXJFHDHRWYEY-UHFFFAOYSA-N -1 3 332.383 3.216 20 30 EGEDHM C=CCCCCCN(C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735408514 575658036 /nfs/dbraw/zinc/65/80/36/575658036.db2.gz MPCXJFHDHRWYEY-UHFFFAOYSA-N -1 3 332.383 3.216 20 30 EGEDHM CCCCCCCC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736443663 575964795 /nfs/dbraw/zinc/96/47/95/575964795.db2.gz CAZXNNZRGHLUBG-UHFFFAOYSA-N -1 3 345.447 3.207 20 30 EGEDHM CCCCCCCC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736443663 575964799 /nfs/dbraw/zinc/96/47/99/575964799.db2.gz CAZXNNZRGHLUBG-UHFFFAOYSA-N -1 3 345.447 3.207 20 30 EGEDHM Cc1cccc2[nH]c(C(C#N)C(=O)CCc3ccc(C(=O)[O-])cc3)nc21 ZINC000738747280 576358762 /nfs/dbraw/zinc/35/87/62/576358762.db2.gz RIDKUFFBISOBDE-HNNXBMFYSA-N -1 3 347.374 3.379 20 30 EGEDHM Cc1cccc2nc(C(C#N)C(=O)CCc3ccc(C(=O)[O-])cc3)[nH]c21 ZINC000738747280 576358766 /nfs/dbraw/zinc/35/87/66/576358766.db2.gz RIDKUFFBISOBDE-HNNXBMFYSA-N -1 3 347.374 3.379 20 30 EGEDHM N#Cc1ccc([C@@H](N[C@H](CN2CCCC2)c2ccccc2)C(=O)[O-])cc1 ZINC000739107707 576378387 /nfs/dbraw/zinc/37/83/87/576378387.db2.gz SIXBFEAOOCQMOM-WOJBJXKFSA-N -1 3 349.434 3.111 20 30 EGEDHM N#Cc1ccc([C@H](NCc2ccccc2C(F)(F)F)C(=O)[O-])cc1 ZINC000739108626 576378392 /nfs/dbraw/zinc/37/83/92/576378392.db2.gz VTVQMNVWLGOUPI-HNNXBMFYSA-N -1 3 334.297 3.493 20 30 EGEDHM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC000739117956 576378940 /nfs/dbraw/zinc/37/89/40/576378940.db2.gz JYMNJFMOGVLKNY-HNNXBMFYSA-N -1 3 334.297 3.493 20 30 EGEDHM CC(C)c1ccc(C=N[N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000743448422 576809349 /nfs/dbraw/zinc/80/93/49/576809349.db2.gz OFTIYKUTOHBSRK-UHFFFAOYSA-N -1 3 330.453 3.306 20 30 EGEDHM COCc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821694955 599113353 /nfs/dbraw/zinc/11/33/53/599113353.db2.gz CBVYTDZRNQFJIT-YBEGLDIGSA-N -1 3 346.390 3.226 20 30 EGEDHM COCc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821694955 599113355 /nfs/dbraw/zinc/11/33/55/599113355.db2.gz CBVYTDZRNQFJIT-YBEGLDIGSA-N -1 3 346.390 3.226 20 30 EGEDHM N#Cc1cccc([C@@H](NCc2cccc(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000833076819 601298348 /nfs/dbraw/zinc/29/83/48/601298348.db2.gz ZOBLNEPHZVJCLG-OAHLLOKOSA-N -1 3 334.297 3.493 20 30 EGEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 ZINC000827718548 601306572 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COc1ccc(C=C2CCc3ccc(C)cc3C2=O)cc1-c1nn[n-]n1 ZINC000826190547 607814102 /nfs/dbraw/zinc/81/41/02/607814102.db2.gz FLYWIWOIPHYSOC-XNTDXEJSSA-N -1 3 346.390 3.396 20 30 EGEDHM N#Cc1ccc(C2=CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1 ZINC000826385088 608442555 /nfs/dbraw/zinc/44/25/55/608442555.db2.gz WULHGSXYUJQAGE-UHFFFAOYSA-N -1 3 346.369 3.171 20 30 EGEDHM N#Cc1ccc(C2=CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1 ZINC000826385088 608442557 /nfs/dbraw/zinc/44/25/57/608442557.db2.gz WULHGSXYUJQAGE-UHFFFAOYSA-N -1 3 346.369 3.171 20 30 EGEDHM C[C@H](CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(F)cc1 ZINC000824385008 608538440 /nfs/dbraw/zinc/53/84/40/608538440.db2.gz JVMLZQIJTHAADH-SECBINFHSA-N -1 3 345.769 3.256 20 30 EGEDHM C[C@H](CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)cc1 ZINC000824385008 608538441 /nfs/dbraw/zinc/53/84/41/608538441.db2.gz JVMLZQIJTHAADH-SECBINFHSA-N -1 3 345.769 3.256 20 30 EGEDHM N#Cc1ccc(OCc2cccc(-c3nnn[n-]3)c2F)c(Cl)c1 ZINC000826386324 608670087 /nfs/dbraw/zinc/67/00/87/608670087.db2.gz ZMRDOUWYTDXXJJ-UHFFFAOYSA-N -1 3 329.722 3.110 20 30 EGEDHM N#Cc1ccc(OCc2cccc(-c3nn[n-]n3)c2F)c(Cl)c1 ZINC000826386324 608670088 /nfs/dbraw/zinc/67/00/88/608670088.db2.gz ZMRDOUWYTDXXJJ-UHFFFAOYSA-N -1 3 329.722 3.110 20 30 EGEDHM C#CCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000751770603 1299620784 /nfs/dbraw/zinc/62/07/84/1299620784.db2.gz SGONDOBBKDKNLY-UHFFFAOYSA-N -1 3 330.800 3.290 20 30 EGEDHM Cc1ccc(-c2nc(NC(=O)Cc3cccc(OCC#N)c3)n[n-]2)o1 ZINC000089855778 1292778505 /nfs/dbraw/zinc/77/85/05/1292778505.db2.gz JTNNZRVXMUQFBR-UHFFFAOYSA-N -1 3 337.339 3.106 20 30 EGEDHM C=CCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000103649826 1293012299 /nfs/dbraw/zinc/01/22/99/1293012299.db2.gz VRBIQSFZSRFZTC-UHFFFAOYSA-N -1 3 349.383 3.359 20 30 EGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000833720311 1293065325 /nfs/dbraw/zinc/06/53/25/1293065325.db2.gz YHMXWWIOLJZYIT-LBPRGKRZSA-N -1 3 337.288 3.457 20 30 EGEDHM C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ccc(C(=O)[O-])c(F)c1 ZINC000835010333 1293186797 /nfs/dbraw/zinc/18/67/97/1293186797.db2.gz XRRZCOUOFPZTLW-CYBMUJFWSA-N -1 3 341.386 3.444 20 30 EGEDHM CC[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(F)(F)F ZINC000835650813 1293339167 /nfs/dbraw/zinc/33/91/67/1293339167.db2.gz VGYXSWHUYFXZNF-LBPRGKRZSA-N -1 3 330.306 3.092 20 30 EGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1nc2ccccc2s1 ZINC000126415193 1293533565 /nfs/dbraw/zinc/53/35/65/1293533565.db2.gz GKRUUAVTQSIGQN-BCPZQOPPSA-N -1 3 348.387 3.052 20 30 EGEDHM CC(=Cc1ccccc1Cl)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000179414908 1294793975 /nfs/dbraw/zinc/79/39/75/1294793975.db2.gz WNPSKTGFMLHSBA-YGNAEDSMSA-N -1 3 327.771 3.069 20 30 EGEDHM CC(=Cc1ccccc1Cl)C([O-])=C(C#N)C(=O)c1nccn1C ZINC000179414908 1294793984 /nfs/dbraw/zinc/79/39/84/1294793984.db2.gz WNPSKTGFMLHSBA-YGNAEDSMSA-N -1 3 327.771 3.069 20 30 EGEDHM COc1cc(/C=C/C(=O)c2ccncc2)cc(Br)c1[O-] ZINC000192762105 1295796959 /nfs/dbraw/zinc/79/69/59/1295796959.db2.gz LHWVNXOEKWCIRB-NSCUHMNNSA-N -1 3 334.169 3.454 20 30 EGEDHM COc1cc(OC)cc([C@@H](O)C/N=C\c2cc(Cl)ccc2[O-])c1 ZINC000255357598 1296524059 /nfs/dbraw/zinc/52/40/59/1296524059.db2.gz IRRBRNGEJWVIJF-DUPIZPNJSA-N -1 3 335.787 3.215 20 30 EGEDHM Cn1c(=O)cc(C([O-])=C(C#N)c2nc3ccccc3o2)c2ccccc21 ZINC000340037407 1297309220 /nfs/dbraw/zinc/30/92/20/1297309220.db2.gz JOOXAECSHOZTRW-CQSZACIVSA-N -1 3 343.342 3.170 20 30 EGEDHM CC(C)c1nsc([N-]C(=O)c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC000874693392 1298039024 /nfs/dbraw/zinc/03/90/24/1298039024.db2.gz ASDDIUZOQKHXLV-UHFFFAOYSA-N -1 3 341.318 3.199 20 30 EGEDHM C=C(C)CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000744302903 1298413456 /nfs/dbraw/zinc/41/34/56/1298413456.db2.gz GSBFNNGVGOZLPS-UHFFFAOYSA-N -1 3 343.420 3.026 20 30 EGEDHM COc1cc(CN=Nc2oc(C(C)C)nc2C#N)cc(Cl)c1[O-] ZINC000745625414 1298435642 /nfs/dbraw/zinc/43/56/42/1298435642.db2.gz WBWJHILAKDCDEJ-UHFFFAOYSA-N -1 3 334.763 3.483 20 30 EGEDHM C[C@@H]1CN(c2ccc(N=Cc3ccc(O)c([O-])c3O)cc2)C[C@H](C)O1 ZINC000747362194 1298768514 /nfs/dbraw/zinc/76/85/14/1298768514.db2.gz REURBJNKJFNQLX-BETUJISGSA-N -1 3 342.395 3.168 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1C(C)(C)C1(C)C ZINC000749090787 1299138997 /nfs/dbraw/zinc/13/89/97/1299138997.db2.gz ZRCWKNKUQDQRBL-UHFFFAOYSA-N -1 3 330.428 3.434 20 30 EGEDHM CCOc1cc(Cl)ccc1C/N=C\c1c([O-])c(C)ncc1CO ZINC000751522743 1299561368 /nfs/dbraw/zinc/56/13/68/1299561368.db2.gz IJNMLFVMTUSRTB-OCKHKDLRSA-N -1 3 334.803 3.259 20 30 EGEDHM COC(=O)[C@H](OC(=O)c1cc2ccsc2[n-]1)c1cccc(C#N)c1 ZINC000751637407 1299581698 /nfs/dbraw/zinc/58/16/98/1299581698.db2.gz LTVJQEVDXDKRPT-CQSZACIVSA-N -1 3 340.360 3.172 20 30 EGEDHM N#CCOc1ccc(COC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000751734488 1299608357 /nfs/dbraw/zinc/60/83/57/1299608357.db2.gz JZHPNRLTUSGMBM-UHFFFAOYSA-N -1 3 335.718 3.444 20 30 EGEDHM C=CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000761060478 1301398098 /nfs/dbraw/zinc/39/80/98/1301398098.db2.gz NMVBTTCIBSQKKJ-UHFFFAOYSA-N -1 3 349.383 3.278 20 30 EGEDHM CCc1cccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1[O-] ZINC000762303796 1301654827 /nfs/dbraw/zinc/65/48/27/1301654827.db2.gz RFKRZTLCQCVZII-SFHVURJKSA-N -1 3 336.391 3.040 20 30 EGEDHM CCC(N=Nc1nc(-c2ccncc2)no1)c1ccc([O-])c(F)c1 ZINC000764690893 1302118520 /nfs/dbraw/zinc/11/85/20/1302118520.db2.gz UXXXXWRVNRZVON-UHFFFAOYSA-N -1 3 327.319 3.203 20 30 EGEDHM COc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(OC)c2)ccc1[O-] ZINC000770567544 1303286399 /nfs/dbraw/zinc/28/63/99/1303286399.db2.gz WLNRDJCWLBYHIF-DAXSKMNVSA-N -1 3 329.308 3.214 20 30 EGEDHM Cc1ccc([O-])c(C(=O)/C=C/c2ccc(N3CCN(C)CC3)cc2)c1 ZINC000771525201 1303417828 /nfs/dbraw/zinc/41/78/28/1303417828.db2.gz PCTHTJIAEQYMFS-UXBLZVDNSA-N -1 3 336.435 3.349 20 30 EGEDHM C#CCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H]1CCCc2ccccc21 ZINC000887231684 1303708773 /nfs/dbraw/zinc/70/87/73/1303708773.db2.gz ABLLVDPRNPTGKF-SFHVURJKSA-N -1 3 347.418 3.213 20 30 EGEDHM COc1c([O-])c(CNc2ccccc2O[C@H](C)C#N)ccc1[N+](=O)[O-] ZINC000775055823 1303897429 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COCCCn1nccc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000802704364 1317026096 /nfs/dbraw/zinc/02/60/96/1317026096.db2.gz QGQKHIPXJWVQCO-BVRAVYJCSA-N -1 3 330.359 3.148 20 30 EGEDHM CC(C)(C(=O)N([O-])Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000900094095 1317234749 /nfs/dbraw/zinc/23/47/49/1317234749.db2.gz HANARRYRKCJCTF-UHFFFAOYSA-N -1 3 332.331 3.430 20 30 EGEDHM COc1ccc2c(c1)CC[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)C2 ZINC000901372591 1317411089 /nfs/dbraw/zinc/41/10/89/1317411089.db2.gz IMHGIGWTPZIXQV-MRXNPFEDSA-N -1 3 329.371 3.357 20 30 EGEDHM O=C(c1cccc(OC[C@@H]2CCCO2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901376751 1317413361 /nfs/dbraw/zinc/41/33/61/1317413361.db2.gz ZEYDITVAWCELKH-SFHVURJKSA-N -1 3 345.370 3.415 20 30 EGEDHM O=C(CCc1nnc(-c2ccccc2)o1)N([O-])Cc1ccc(F)cc1 ZINC000901376506 1317413740 /nfs/dbraw/zinc/41/37/40/1317413740.db2.gz VOYRIXRVZDEWIS-UHFFFAOYSA-N -1 3 341.342 3.226 20 30 EGEDHM C#CCCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000904004948 1317766832 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C#CCCC1(CCNC(=O)c2ccc([O-])cc2C(F)(F)F)N=N1 ZINC001193758982 1368109434 /nfs/dbraw/zinc/10/94/34/1368109434.db2.gz ICEBDUYRCMREKX-UHFFFAOYSA-N -1 3 325.290 3.106 20 30 EGEDHM N#Cc1cc(NC(=O)c2cc(F)ccc2N2CCCC2)ccc1[O-] ZINC001194468097 1368269081 /nfs/dbraw/zinc/26/90/81/1368269081.db2.gz QNFJHHYSKSYSFC-UHFFFAOYSA-N -1 3 325.343 3.255 20 30 EGEDHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(F)c(F)c(C#N)c1F ZINC001194641951 1368301896 /nfs/dbraw/zinc/30/18/96/1368301896.db2.gz CZWHCDQZHTUGAV-UHFFFAOYSA-N -1 3 340.326 3.393 20 30 EGEDHM C#Cc1ccc([N-]S(=O)(=O)c2c(C)cc(OC)c(C)c2C)cc1 ZINC001194864838 1368338179 /nfs/dbraw/zinc/33/81/79/1368338179.db2.gz RZUUNCOASIAPKY-UHFFFAOYSA-N -1 3 329.421 3.403 20 30 EGEDHM Cc1nc(Cl)cc(Cl)c1C(=O)N([O-])C(=N)c1ccccc1N ZINC001196692344 1368664859 /nfs/dbraw/zinc/66/48/59/1368664859.db2.gz FJOUOBPGVRBFHB-UHFFFAOYSA-N -1 3 339.182 3.136 20 30 EGEDHM COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)C#N)cc2)c(C)c1 ZINC001198939478 1369152831 /nfs/dbraw/zinc/15/28/31/1369152831.db2.gz FGHVCBQXAYEHEJ-CYBMUJFWSA-N -1 3 330.409 3.432 20 30 EGEDHM CCCC[C@@H](CNc1ccc(C#N)cn1)NC(=O)c1ccccc1[O-] ZINC001114202740 1369792572 /nfs/dbraw/zinc/79/25/72/1369792572.db2.gz OQRJDOXBLWGFCE-HNNXBMFYSA-N -1 3 338.411 3.060 20 30 EGEDHM COc1cc(OC)c(NC(=O)[N-]c2onc(C)c2C#N)cc1Cl ZINC001187357069 1388098950 /nfs/dbraw/zinc/09/89/50/1388098950.db2.gz QEMBFKHUDWYCMD-UHFFFAOYSA-N -1 3 336.735 3.169 20 30 EGEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@](C)(CCC)C1 ZINC001121533073 1372001673 /nfs/dbraw/zinc/00/16/73/1372001673.db2.gz PATYBFRIFXAHLL-SFHVURJKSA-N -1 3 342.447 3.033 20 30 EGEDHM Cc1ccc(C(C)C)c(O)c1C(=O)N([O-])C(=N)c1ccccc1N ZINC001188181526 1388259031 /nfs/dbraw/zinc/25/90/31/1388259031.db2.gz MUYGHMMCCPUSTK-UHFFFAOYSA-N -1 3 327.384 3.263 20 30 EGEDHM O=[N+]([O-])c1ccc(N2CCC(Oc3cccc(/C=N/[O-])c3)CC2)cc1 ZINC001226109564 1375204853 /nfs/dbraw/zinc/20/48/53/1375204853.db2.gz GTXZPZCZZUTLEV-CPNJWEJPSA-N -1 3 341.367 3.451 20 30 EGEDHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3cccc(/C=N/[O-])c3)[C@H]2C1 ZINC001226113933 1375205034 /nfs/dbraw/zinc/20/50/34/1375205034.db2.gz BRANGAHZXVMZBW-AYIRGAPISA-N -1 3 332.400 3.129 20 30 EGEDHM C=CC[C@H](Oc1[n-]c(=O)nc2nccnc21)c1ccc(Cl)cc1 ZINC001226988985 1375377539 /nfs/dbraw/zinc/37/75/39/1375377539.db2.gz CWVIMJAABRDUNY-LBPRGKRZSA-N -1 3 328.759 3.475 20 30 EGEDHM N#Cc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)c([O-])c1 ZINC001233384426 1376634393 /nfs/dbraw/zinc/63/43/93/1376634393.db2.gz VSNZAVRKZNBMSH-UHFFFAOYSA-N -1 3 327.815 3.239 20 30 EGEDHM Cc1ccc2ncc([O-])c(C(=O)NCc3ccc(C#N)c(F)c3)c2c1 ZINC001154533649 1380300783 /nfs/dbraw/zinc/30/07/83/1380300783.db2.gz NNHZVOWWXNECER-UHFFFAOYSA-N -1 3 335.338 3.190 20 30 EGEDHM C[C@H](C#N)c1ccc(NC(=O)c2nc3nc(Cl)ccc3[n-]2)cc1 ZINC001155178761 1380420083 /nfs/dbraw/zinc/42/00/83/1380420083.db2.gz MVRNOQXVSUACCC-SECBINFHSA-N -1 3 325.759 3.491 20 30 EGEDHM C[C@H](C#N)c1ccc(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)cc1 ZINC001155178761 1380420084 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CCc1nn(C)cc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001353962745 1392110169 /nfs/dbraw/zinc/11/01/69/1392110169.db2.gz GJBQFFGGYQMDEM-UHFFFAOYSA-N -1 3 328.199 3.321 20 30 EGEDHM C=CCC(C)(C)C(=O)NCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001756279972 1441000250 /nfs/dbraw/zinc/00/02/50/1441000250.db2.gz YLHCSZQLSHLNFC-AWEZNQCLSA-N -1 3 332.444 3.009 20 30 EGEDHM C=CCN(Cc1cccc(OCC)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823919461 1441454797 /nfs/dbraw/zinc/45/47/97/1441454797.db2.gz GMUFUOUOVIFABF-UHFFFAOYSA-N -1 3 349.438 3.454 20 30 EGEDHM C=CCN(Cc1cccc(OCC)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823919461 1441454801 /nfs/dbraw/zinc/45/48/01/1441454801.db2.gz GMUFUOUOVIFABF-UHFFFAOYSA-N -1 3 349.438 3.454 20 30 EGEDHM C=C[C@@H](CC)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001573316793 947283633 /nfs/dbraw/zinc/28/36/33/947283633.db2.gz ZJPNBLFTGCUYHF-VIFPVBQESA-N -1 3 339.321 3.426 20 30 EGEDHM C=C[C@@H](CC)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001573316793 947283644 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EGEDHM C=CCCCCCN(C)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001573335691 947485423 /nfs/dbraw/zinc/48/54/23/947485423.db2.gz SRUPHMRVYZQLJC-UHFFFAOYSA-N -1 3 334.355 3.097 20 30 EGEDHM C=CCCC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)ccn1)c1ccccc1 ZINC001573335811 947489975 /nfs/dbraw/zinc/48/99/75/947489975.db2.gz VMFOOYBILOSVPC-MRXNPFEDSA-N -1 3 348.410 3.089 20 30 EGEDHM C=CCCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)ccn1)c1ccccc1 ZINC001573335811 947489985 /nfs/dbraw/zinc/48/99/85/947489985.db2.gz VMFOOYBILOSVPC-MRXNPFEDSA-N -1 3 348.410 3.089 20 30 EGEDHM C=CCN(C(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1)c1ccccc1 ZINC001573341090 947525333 /nfs/dbraw/zinc/52/53/33/947525333.db2.gz GRUBRIRKHQTHGO-UHFFFAOYSA-N -1 3 333.395 3.316 20 30 EGEDHM C=CCN(C(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1)c1ccccc1 ZINC001573341090 947525347 /nfs/dbraw/zinc/52/53/47/947525347.db2.gz GRUBRIRKHQTHGO-UHFFFAOYSA-N -1 3 333.395 3.316 20 30 EGEDHM C=CCCOCCCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1CC ZINC001573342490 947540808 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Cc1nc2ccc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)cc2nc1C ZINC000053525203 453884272 /nfs/dbraw/zinc/88/42/72/453884272.db2.gz QRNJSIXCMVENHO-UHFFFAOYSA-N -1 3 345.366 3.063 20 30 EGEDHM O=C(COc1ccccc1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731076 453906245 /nfs/dbraw/zinc/90/62/45/453906245.db2.gz BKHOZTFROYGRPV-UHFFFAOYSA-N -1 3 330.294 3.417 20 30 EGEDHM O=C(COc1ccccc1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731076 453906246 /nfs/dbraw/zinc/90/62/46/453906246.db2.gz BKHOZTFROYGRPV-UHFFFAOYSA-N -1 3 330.294 3.417 20 30 EGEDHM O=C(COc1ccccc1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731076 453906247 /nfs/dbraw/zinc/90/62/47/453906247.db2.gz BKHOZTFROYGRPV-UHFFFAOYSA-N -1 3 330.294 3.417 20 30 EGEDHM Cn1ccnc1SCc1ccc(C([O-])=C(C#N)c2ccccn2)o1 ZINC000041481471 453968788 /nfs/dbraw/zinc/96/87/88/453968788.db2.gz IUXMCNJFLPQONM-CYBMUJFWSA-N -1 3 338.392 3.190 20 30 EGEDHM N#CC(=C([O-])c1csc2c1CCCC2)c1nnc2n1CCCCC2 ZINC000041510503 453969788 /nfs/dbraw/zinc/96/97/88/453969788.db2.gz AWOYZRAUAVFEBY-CYBMUJFWSA-N -1 3 340.452 3.435 20 30 EGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000076937353 454050722 /nfs/dbraw/zinc/05/07/22/454050722.db2.gz IHVISUKSBVXGPR-UHFFFAOYSA-N -1 3 326.299 3.085 20 30 EGEDHM CCC[C@@H]1CCCC[C@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000077309042 454088775 /nfs/dbraw/zinc/08/87/75/454088775.db2.gz MXTWYUIKAGTKGK-CRAIPNDOSA-N -1 3 343.471 3.271 20 30 EGEDHM COc1ccc(/C=C/C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1F ZINC000071892669 454245073 /nfs/dbraw/zinc/24/50/73/454245073.db2.gz SCPDEPLRDCYVRP-YCRREMRBSA-N -1 3 349.383 3.102 20 30 EGEDHM N#CC(=C([O-])c1cc(Br)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000132627602 454353922 /nfs/dbraw/zinc/35/39/22/454353922.db2.gz XSIMASVAKYCXFQ-GFCCVEGCSA-N -1 3 346.140 3.242 20 30 EGEDHM Cn1cnc2cc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)ccc21 ZINC000097038919 454393640 /nfs/dbraw/zinc/39/36/40/454393640.db2.gz UICMQNCATFESQT-GFCCVEGCSA-N -1 3 344.296 3.477 20 30 EGEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccn(-c2ccccc2F)n1 ZINC000073914348 454500792 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575746016 /nfs/dbraw/zinc/74/60/16/575746016.db2.gz BZCDUWGXVAEHFI-GFCCVEGCSA-N -1 3 338.415 3.283 20 30 EGEDHM C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735974332 575746018 /nfs/dbraw/zinc/74/60/18/575746018.db2.gz BZCDUWGXVAEHFI-GFCCVEGCSA-N -1 3 338.415 3.283 20 30 EGEDHM CCn1c(C)cc2c1CCC[C@@H]2N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737294487 576200268 /nfs/dbraw/zinc/20/02/68/576200268.db2.gz SOLKIYCKQSVLCG-PKOBYXMFSA-N -1 3 337.423 3.481 20 30 EGEDHM Cc1c(C(=O)C=Cc2ccc(C)cc2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737329593 576207352 /nfs/dbraw/zinc/20/73/52/576207352.db2.gz MYMMEKMEGYVVCN-CMDGGOBGSA-N -1 3 347.422 3.436 20 30 EGEDHM Cc1c(C(=O)C=Cc2ccc(C)cc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737329593 576207354 /nfs/dbraw/zinc/20/73/54/576207354.db2.gz MYMMEKMEGYVVCN-CMDGGOBGSA-N -1 3 347.422 3.436 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@@H]2c2c(F)cccc2Cl)c1[O-] ZINC000740616375 576607373 /nfs/dbraw/zinc/60/73/73/576607373.db2.gz LDAYXUQROJFQST-BZMHJIPWSA-N -1 3 334.778 3.355 20 30 EGEDHM C#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000741728051 576714680 /nfs/dbraw/zinc/71/46/80/576714680.db2.gz SKTVHCBBIXFKBY-UHFFFAOYSA-N -1 3 339.326 3.382 20 30 EGEDHM C#CCOc1cc(F)ccc1NC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000741728051 576714682 /nfs/dbraw/zinc/71/46/82/576714682.db2.gz SKTVHCBBIXFKBY-UHFFFAOYSA-N -1 3 339.326 3.382 20 30 EGEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cc2cc(F)ccc2o1 ZINC000743449444 576809424 /nfs/dbraw/zinc/80/94/24/576809424.db2.gz XDYDLRWJVAXUEN-UHFFFAOYSA-N -1 3 346.383 3.068 20 30 EGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])C=C(C)C(C)(C)C)cc1OC ZINC000744031885 576819292 /nfs/dbraw/zinc/81/92/92/576819292.db2.gz CWNBAMOBAVNOFR-TZIYXEQSSA-N -1 3 344.411 3.344 20 30 EGEDHM COc1ccc(C=NNC(=S)Nc2cc(C)ccc2F)c([O-])c1 ZINC000745005802 576838320 /nfs/dbraw/zinc/83/83/20/576838320.db2.gz KQMUHBDKZXHNQI-UHFFFAOYSA-N -1 3 333.388 3.169 20 30 EGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc(C)sc1C ZINC000819772802 607253593 /nfs/dbraw/zinc/25/35/93/607253593.db2.gz LVQZSEJRQJOJJK-UHFFFAOYSA-N -1 3 326.429 3.059 20 30 EGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc(C)sc1C ZINC000819772802 607253594 /nfs/dbraw/zinc/25/35/94/607253594.db2.gz LVQZSEJRQJOJJK-UHFFFAOYSA-N -1 3 326.429 3.059 20 30 EGEDHM N#Cc1cnc(Sc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000822842636 599058396 /nfs/dbraw/zinc/05/83/96/599058396.db2.gz RJJMRPSBIBRTLA-UHFFFAOYSA-N -1 3 332.751 3.077 20 30 EGEDHM N#Cc1cnc(Sc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000822842636 599058399 /nfs/dbraw/zinc/05/83/99/599058399.db2.gz RJJMRPSBIBRTLA-UHFFFAOYSA-N -1 3 332.751 3.077 20 30 EGEDHM COc1ccc(C#N)cc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000821769724 607379900 /nfs/dbraw/zinc/37/99/00/607379900.db2.gz KCEWOUXEUZRWFB-UHFFFAOYSA-N -1 3 341.371 3.178 20 30 EGEDHM COc1ccc(C#N)cc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000821769724 607379902 /nfs/dbraw/zinc/37/99/02/607379902.db2.gz KCEWOUXEUZRWFB-UHFFFAOYSA-N -1 3 341.371 3.178 20 30 EGEDHM O=C1c2cccc(Cl)c2CC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823503232 607460764 /nfs/dbraw/zinc/46/07/64/607460764.db2.gz CHWJREDHGFACFX-IZZDOVSWSA-N -1 3 340.745 3.482 20 30 EGEDHM O=C1c2cccc(Cl)c2CC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503232 607460765 /nfs/dbraw/zinc/46/07/65/607460765.db2.gz CHWJREDHGFACFX-IZZDOVSWSA-N -1 3 340.745 3.482 20 30 EGEDHM N#Cc1cccc([C@H](NCc2ccccc2C(F)(F)F)C(=O)[O-])c1 ZINC000833075881 601303681 /nfs/dbraw/zinc/30/36/81/601303681.db2.gz NXVORKCDMGPVRS-HNNXBMFYSA-N -1 3 334.297 3.493 20 30 EGEDHM C[C@H](CCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824402099 607538572 /nfs/dbraw/zinc/53/85/72/607538572.db2.gz UBQJPUMKJSWBQF-CYBMUJFWSA-N -1 3 346.394 3.261 20 30 EGEDHM C[C@H](CCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824402099 607538573 /nfs/dbraw/zinc/53/85/73/607538573.db2.gz UBQJPUMKJSWBQF-CYBMUJFWSA-N -1 3 346.394 3.261 20 30 EGEDHM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(C#N)cc2)C(=O)[O-])c1 ZINC000832049691 602166433 /nfs/dbraw/zinc/16/64/33/602166433.db2.gz JYCZEMSLXAKEPO-XIKOKIGWSA-N -1 3 340.379 3.052 20 30 EGEDHM N#CCC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381333 607676217 /nfs/dbraw/zinc/67/62/17/607676217.db2.gz HVLGAIYFKKYTLX-MRXNPFEDSA-N -1 3 347.382 3.033 20 30 EGEDHM N#CCC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381333 607676218 /nfs/dbraw/zinc/67/62/18/607676218.db2.gz HVLGAIYFKKYTLX-MRXNPFEDSA-N -1 3 347.382 3.033 20 30 EGEDHM C#Cc1cccc(N(C(=O)c2ccc(-c3nnn[n-]3)cc2C)C(C)C)c1 ZINC000823861497 607688696 /nfs/dbraw/zinc/68/86/96/607688696.db2.gz KNPVRQVJBDHVGP-UHFFFAOYSA-N -1 3 345.406 3.212 20 30 EGEDHM C#Cc1cccc(N(C(=O)c2ccc(-c3nn[n-]n3)cc2C)C(C)C)c1 ZINC000823861497 607688697 /nfs/dbraw/zinc/68/86/97/607688697.db2.gz KNPVRQVJBDHVGP-UHFFFAOYSA-N -1 3 345.406 3.212 20 30 EGEDHM C[C@H](Nc1ccc(F)cc1OCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456914 607145318 /nfs/dbraw/zinc/14/53/18/607145318.db2.gz WZUZVXQTZVIGMV-NSHDSACASA-N -1 3 338.346 3.081 20 30 EGEDHM C[C@H](Nc1ccc(F)cc1OCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820456914 607145319 /nfs/dbraw/zinc/14/53/19/607145319.db2.gz WZUZVXQTZVIGMV-NSHDSACASA-N -1 3 338.346 3.081 20 30 EGEDHM O=C1c2cc(F)ccc2OCCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475719 607884448 /nfs/dbraw/zinc/88/44/48/607884448.db2.gz OHMCVZXELWMWGG-XFXZXTDPSA-N -1 3 336.326 3.055 20 30 EGEDHM O=C1c2cc(F)ccc2OCCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475719 607884449 /nfs/dbraw/zinc/88/44/49/607884449.db2.gz OHMCVZXELWMWGG-XFXZXTDPSA-N -1 3 336.326 3.055 20 30 EGEDHM N#Cc1ccc(Cl)cc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826385607 608399648 /nfs/dbraw/zinc/39/96/48/608399648.db2.gz TUJAPZXICYMWIU-UHFFFAOYSA-N -1 3 329.722 3.110 20 30 EGEDHM N#Cc1ccc(Cl)cc1OCc1cccc(-c2nn[n-]n2)c1F ZINC000826385607 608399650 /nfs/dbraw/zinc/39/96/50/608399650.db2.gz TUJAPZXICYMWIU-UHFFFAOYSA-N -1 3 329.722 3.110 20 30 EGEDHM C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824537320 609346964 /nfs/dbraw/zinc/34/69/64/609346964.db2.gz DEZIJOQTYMNIQN-GFCCVEGCSA-N -1 3 348.385 3.217 20 30 EGEDHM Cc1cccnc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826308014 609373782 /nfs/dbraw/zinc/37/37/82/609373782.db2.gz FSIIJWGCBGGAAE-UHFFFAOYSA-N -1 3 347.304 3.035 20 30 EGEDHM Cc1cccnc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826308014 609373786 /nfs/dbraw/zinc/37/37/86/609373786.db2.gz FSIIJWGCBGGAAE-UHFFFAOYSA-N -1 3 347.304 3.035 20 30 EGEDHM N#CCC1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000826381128 609385574 /nfs/dbraw/zinc/38/55/74/609385574.db2.gz YSZOCWMYYAYGRX-UHFFFAOYSA-N -1 3 336.321 3.016 20 30 EGEDHM Cc1[nH]c2ccc(F)cc2c1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826233841 609449419 /nfs/dbraw/zinc/44/94/19/609449419.db2.gz XNHOLEUBNNPVLW-UHFFFAOYSA-N -1 3 335.346 3.242 20 30 EGEDHM Cc1[nH]c2ccc(F)cc2c1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826233841 609449421 /nfs/dbraw/zinc/44/94/21/609449421.db2.gz XNHOLEUBNNPVLW-UHFFFAOYSA-N -1 3 335.346 3.242 20 30 EGEDHM Cn1ncc2c1nc(N=NCc1ccc(-c3ccccc3)cc1)[n-]c2=O ZINC000769816670 1303179891 /nfs/dbraw/zinc/17/98/91/1303179891.db2.gz FSKSULXVNQNQOI-UHFFFAOYSA-N -1 3 344.378 3.182 20 30 EGEDHM COc1cc(C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)ccc1[O-] ZINC000008322758 1291102087 /nfs/dbraw/zinc/10/20/87/1291102087.db2.gz FINDMHIBJORBGY-ZZXKWVIFSA-N -1 3 339.347 3.208 20 30 EGEDHM N#C[C@H]1CN(Cc2c([O-])ccc3cc(Br)ccc32)CCO1 ZINC000106064980 1293047785 /nfs/dbraw/zinc/04/77/85/1293047785.db2.gz JMKMLJGEZDDSFS-ZDUSSCGKSA-N -1 3 347.212 3.032 20 30 EGEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCN(c2ccccn2)C1 ZINC000255592986 1296550566 /nfs/dbraw/zinc/55/05/66/1296550566.db2.gz UWDCXNHRXVLFDH-SAGYFLTASA-N -1 3 346.228 3.248 20 30 EGEDHM N#CCCCOc1cccc(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000436680768 1297842458 /nfs/dbraw/zinc/84/24/58/1297842458.db2.gz OVJJHVZEIKAVIF-UHFFFAOYSA-N -1 3 340.335 3.056 20 30 EGEDHM COc1cc(C=NOCc2cccnc2)cc(Br)c1[O-] ZINC000746585550 1298618692 /nfs/dbraw/zinc/61/86/92/1298618692.db2.gz HHYKOFMHFGFYFQ-UHFFFAOYSA-N -1 3 337.173 3.109 20 30 EGEDHM COc1cc(C=NNc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000747641716 1298815272 /nfs/dbraw/zinc/81/52/72/1298815272.db2.gz DXXCUFJSKXZNFJ-UHFFFAOYSA-N -1 3 341.245 3.172 20 30 EGEDHM C=CCn1c(Sc2nc3ccccc3c(=O)[n-]2)nnc1C1CC1 ZINC000750530986 1299417964 /nfs/dbraw/zinc/41/79/64/1299417964.db2.gz WJDMWJBOKFRJHO-UHFFFAOYSA-N -1 3 325.397 3.142 20 30 EGEDHM Cc1cc(NC(=O)N[C@H]2CCCN([O-])C2=O)ccc1-c1ccccc1 ZINC000879199066 1300423942 /nfs/dbraw/zinc/42/39/42/1300423942.db2.gz QURVTLCRICPJCB-KRWDZBQOSA-N -1 3 339.395 3.164 20 30 EGEDHM COc1ccc(C=NO[C@H]2CCCCO2)c(Br)c1[O-] ZINC000761013729 1301381962 /nfs/dbraw/zinc/38/19/62/1301381962.db2.gz TVHQDEUOCWISNW-NSHDSACASA-N -1 3 330.178 3.040 20 30 EGEDHM Cc1cc(=O)[n-]c(CSCc2ccc(C#N)cc2OC(F)F)n1 ZINC000763211880 1301846255 /nfs/dbraw/zinc/84/62/55/1301846255.db2.gz HMDRUCUTOHQDKE-UHFFFAOYSA-N -1 3 337.351 3.397 20 30 EGEDHM COc1ccc2c(c1)CCC[C@H]2C/N=C/c1c([O-])c(C)ncc1CO ZINC000766008463 1302366488 /nfs/dbraw/zinc/36/64/88/1302366488.db2.gz HQKROPBEFGXDPD-FPQGOQEYSA-N -1 3 340.423 3.136 20 30 EGEDHM C#CCOc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000768225149 1302858580 /nfs/dbraw/zinc/85/85/80/1302858580.db2.gz CUIXGPQAIWDHJR-UHFFFAOYSA-N -1 3 349.430 3.499 20 30 EGEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])C=CSC ZINC000771581995 1303422974 /nfs/dbraw/zinc/42/29/74/1303422974.db2.gz IDLYYPLFVKOSCD-YEZKRMTDSA-N -1 3 338.816 3.181 20 30 EGEDHM Cc1cc(C)n(-c2ccc(COC(=O)c3cc([O-])cc(C#N)c3)cc2)n1 ZINC000776273905 1304125258 /nfs/dbraw/zinc/12/52/58/1304125258.db2.gz KPIOPBDPDDHSQV-UHFFFAOYSA-N -1 3 347.374 3.423 20 30 EGEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc(O)c1[O-] ZINC000776613133 1304180252 /nfs/dbraw/zinc/18/02/52/1304180252.db2.gz LRWIOAMRYFDVJT-UHFFFAOYSA-N -1 3 330.343 3.145 20 30 EGEDHM CCOC(=O)c1cnc(N=NC(CC)c2ccc([O-])c(F)c2)nc1C ZINC000777891787 1304361771 /nfs/dbraw/zinc/36/17/71/1304361771.db2.gz TXSUFBYXDNCRNB-UHFFFAOYSA-N -1 3 346.362 3.033 20 30 EGEDHM CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(Br)cc1[O-] ZINC000780241724 1304661815 /nfs/dbraw/zinc/66/18/15/1304661815.db2.gz UJKHRZFJXZWWHZ-GFCCVEGCSA-N -1 3 341.249 3.426 20 30 EGEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1cc(Br)ccc1[O-] ZINC000780247342 1304664568 /nfs/dbraw/zinc/66/45/68/1304664568.db2.gz RODZWRDXLGGNEV-LBPRGKRZSA-N -1 3 341.249 3.426 20 30 EGEDHM COc1ccc([N-][NH+]=C(C)c2ccc(N3CCCC3)cc2[O-])nc1 ZINC000780271078 1304668941 /nfs/dbraw/zinc/66/89/41/1304668941.db2.gz OFWMQZCLXNJUOU-UHFFFAOYSA-N -1 3 326.400 3.232 20 30 EGEDHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c([O-])c1O ZINC000780987279 1304758285 /nfs/dbraw/zinc/75/82/85/1304758285.db2.gz VGTTXUZXALDABT-UHFFFAOYSA-N -1 3 326.352 3.317 20 30 EGEDHM COc1cc(C(=O)/C=C/c2cn3cc(C)ccc3n2)c(OC)cc1[O-] ZINC000789142781 1306097880 /nfs/dbraw/zinc/09/78/80/1306097880.db2.gz LVWQOFYIYMPHLO-AATRIKPKSA-N -1 3 338.363 3.262 20 30 EGEDHM N#CC(=C([O-])c1cccc(C2OCCO2)c1)c1cnc2ccccc2n1 ZINC000792107412 1309121383 /nfs/dbraw/zinc/12/13/83/1309121383.db2.gz FLSAHXJXTACMBL-OAHLLOKOSA-N -1 3 345.358 3.165 20 30 EGEDHM CN(C)C(=O)c1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000792916689 1309259900 /nfs/dbraw/zinc/25/99/00/1309259900.db2.gz AFNSHAUXEWSJHW-CLFYSBASSA-N -1 3 331.318 3.268 20 30 EGEDHM [O-]c1ccc(F)c(C=NNC(=S)Nc2ccccc2F)c1F ZINC000794464097 1309531668 /nfs/dbraw/zinc/53/16/68/1309531668.db2.gz CLCSQXUTJJRVDI-UHFFFAOYSA-N -1 3 325.315 3.130 20 30 EGEDHM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C)c(C)c1O ZINC000794594869 1309549475 /nfs/dbraw/zinc/54/94/75/1309549475.db2.gz CNQZZUDURFZSCA-UHFFFAOYSA-N -1 3 330.409 3.184 20 30 EGEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(C)C ZINC000795976625 1309873103 /nfs/dbraw/zinc/87/31/03/1309873103.db2.gz PBBOCELQPVBVAX-LLVKDONJSA-N -1 3 339.766 3.295 20 30 EGEDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(C#N)o3)nc(=O)c2c1C ZINC000796166702 1309926322 /nfs/dbraw/zinc/92/63/22/1309926322.db2.gz YFJFGXXXMZTTKV-QMMMGPOBSA-N -1 3 343.364 3.396 20 30 EGEDHM Cc1ccc(-c2cc(C(=O)OCCCC3(C#N)CCOCC3)n[n-]2)o1 ZINC000800139572 1310680533 /nfs/dbraw/zinc/68/05/33/1310680533.db2.gz OFGLKJLLORIMRZ-UHFFFAOYSA-N -1 3 343.383 3.236 20 30 EGEDHM Cc1ccc(-c2cc(C(=O)OCCCC3(C#N)CCOCC3)[n-]n2)o1 ZINC000800139572 1310680547 /nfs/dbraw/zinc/68/05/47/1310680547.db2.gz OFGLKJLLORIMRZ-UHFFFAOYSA-N -1 3 343.383 3.236 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1coc(C(C)C)n1 ZINC000802968955 1317065879 /nfs/dbraw/zinc/06/58/79/1317065879.db2.gz FVBOMEKNWYACTM-UHFFFAOYSA-N -1 3 343.383 3.063 20 30 EGEDHM Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c(C)nn1 ZINC000900096169 1317235028 /nfs/dbraw/zinc/23/50/28/1317235028.db2.gz ULOKAIHMXOORSD-UHFFFAOYSA-N -1 3 326.183 3.432 20 30 EGEDHM Cc1ccccc1-n1cc(C(=O)N([O-])Cc2ccc(F)cc2)cn1 ZINC000901372157 1317411003 /nfs/dbraw/zinc/41/10/03/1317411003.db2.gz SKLBITDTMKPOJF-UHFFFAOYSA-N -1 3 325.343 3.351 20 30 EGEDHM CCCN(CCC)C(=O)CCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374488 1317411995 /nfs/dbraw/zinc/41/19/95/1317411995.db2.gz KKMAZHFVHZTIFT-UHFFFAOYSA-N -1 3 338.423 3.362 20 30 EGEDHM Cc1cc(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)cc(O)c1[O-] ZINC000901520871 1317439356 /nfs/dbraw/zinc/43/93/56/1317439356.db2.gz ZFMULOCSGPFBLH-DAXSKMNVSA-N -1 3 339.391 3.139 20 30 EGEDHM C=CCC[C@@H](NCc1csc(-c2ccc(OC)cc2)n1)C(=O)[O-] ZINC000901689698 1317463807 /nfs/dbraw/zinc/46/38/07/1317463807.db2.gz DQCMTPUYTAVRKQ-OAHLLOKOSA-N -1 3 332.425 3.328 20 30 EGEDHM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000904173659 1317803270 /nfs/dbraw/zinc/80/32/70/1317803270.db2.gz NTWAODBXFOUVGP-WBVHZDCISA-N -1 3 345.370 3.364 20 30 EGEDHM C[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)NC(=O)C1CCCCC1 ZINC000904175820 1317804765 /nfs/dbraw/zinc/80/47/65/1317804765.db2.gz XHIZBUOZTWAQEW-CYBMUJFWSA-N -1 3 336.407 3.019 20 30 EGEDHM CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811183972 1318117993 /nfs/dbraw/zinc/11/79/93/1318117993.db2.gz CVUAUOJVBDKONK-GFCCVEGCSA-N -1 3 338.363 3.010 20 30 EGEDHM C#C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(Cl)cc1 ZINC000811945532 1318294178 /nfs/dbraw/zinc/29/41/78/1318294178.db2.gz WGLXSODHYDUJEZ-CQSZACIVSA-N -1 3 337.766 3.093 20 30 EGEDHM C#C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000811961760 1318297753 /nfs/dbraw/zinc/29/77/53/1318297753.db2.gz DAAKKHHIVYRRIV-HNNXBMFYSA-N -1 3 332.762 3.358 20 30 EGEDHM CCCCCCCC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000812277434 1318355780 /nfs/dbraw/zinc/35/57/80/1318355780.db2.gz VHIHIIJMEVUYPO-ZDUSSCGKSA-N -1 3 336.398 3.264 20 30 EGEDHM C#CCO[N-]C(=O)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000812784646 1318453209 /nfs/dbraw/zinc/45/32/09/1318453209.db2.gz AETYSGLZYANRNS-UHFFFAOYSA-N -1 3 329.783 3.143 20 30 EGEDHM O=C(Nc1cccc(N=Cc2ccc(O)c([O-])c2O)c1)c1ccncc1 ZINC000914702108 1319365688 /nfs/dbraw/zinc/36/56/88/1319365688.db2.gz WUOSGOGXNUPWPO-UHFFFAOYSA-N -1 3 349.346 3.201 20 30 EGEDHM COc1ccccc1NC(=S)NN=C(C)c1cc(F)ccc1[O-] ZINC000915925159 1319563118 /nfs/dbraw/zinc/56/31/18/1319563118.db2.gz JGGKUZBBSWSCGR-UHFFFAOYSA-N -1 3 333.388 3.251 20 30 EGEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=CC1CCCCC1 ZINC000916320890 1319639219 /nfs/dbraw/zinc/63/92/19/1319639219.db2.gz NNPLWFHNNNEJTL-OAHLLOKOSA-N -1 3 344.440 3.494 20 30 EGEDHM CCNC(=O)COc1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000917557424 1319836254 /nfs/dbraw/zinc/83/62/54/1319836254.db2.gz LQCGRWCOYVZINT-RGVLZGJSSA-N -1 3 346.814 3.180 20 30 EGEDHM N#CCCN(Cc1cccnc1)Cc1ccc(Br)cc1[O-] ZINC000824496952 1320261850 /nfs/dbraw/zinc/26/18/50/1320261850.db2.gz CPVYNDMOVGHUDF-UHFFFAOYSA-N -1 3 346.228 3.466 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCCCCC1 ZINC000836927381 1320556452 /nfs/dbraw/zinc/55/64/52/1320556452.db2.gz XYRQUSBUAQRTDC-UHFFFAOYSA-N -1 3 329.444 3.391 20 30 EGEDHM CS(=O)(=O)CC1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000840704663 1321131123 /nfs/dbraw/zinc/13/11/23/1321131123.db2.gz AGRZBCVHTJJBIF-MFOYZWKCSA-N -1 3 329.849 3.068 20 30 EGEDHM C=CCCO[N-]C(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000856033710 1325441098 /nfs/dbraw/zinc/44/10/98/1325441098.db2.gz OAOLPSMSFOXAEJ-IBGZPJMESA-N -1 3 341.407 3.313 20 30 EGEDHM C=C(Cl)C[C@H](NCc1cc(OC)c(OC)cc1Cl)C(=O)[O-] ZINC000864519789 1329621884 /nfs/dbraw/zinc/62/18/84/1329621884.db2.gz ZFPCYLGYTINNNP-NSHDSACASA-N -1 3 334.199 3.043 20 30 EGEDHM O=C(N[C@@H]1CCCCN(CC#Cc2ccccc2)C1)c1ccccc1[O-] ZINC001034107637 1342245090 /nfs/dbraw/zinc/24/50/90/1342245090.db2.gz YPXDXXCXXYMEAM-LJQANCHMSA-N -1 3 348.446 3.028 20 30 EGEDHM C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001082234115 1357985987 /nfs/dbraw/zinc/98/59/87/1357985987.db2.gz BLBVNDBVADUZSS-CVEARBPZSA-N -1 3 344.455 3.105 20 30 EGEDHM C=C(Cl)CN1CCC2(C[C@H](C)N(C(=O)c3ccccc3[O-])C2)CC1 ZINC001086904614 1359234256 /nfs/dbraw/zinc/23/42/56/1359234256.db2.gz JJYOWJJPRJKCGP-HNNXBMFYSA-N -1 3 348.874 3.461 20 30 EGEDHM Cc1cc(C(=O)N([O-])C(=N)c2ccccc2N)c(-n2cccc2)s1 ZINC001189304835 1366983284 /nfs/dbraw/zinc/98/32/84/1366983284.db2.gz XESVSXWJSXMTMI-UHFFFAOYSA-N -1 3 340.408 3.286 20 30 EGEDHM CN(C)c1ccc(/C=C/c2ccc([N-]S(=O)(=O)CC#N)cc2)cc1 ZINC001192982440 1367915957 /nfs/dbraw/zinc/91/59/57/1367915957.db2.gz QBMJWZXUGGUKAD-ONEGZZNKSA-N -1 3 341.436 3.188 20 30 EGEDHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196680618 1368660832 /nfs/dbraw/zinc/66/08/32/1368660832.db2.gz VGJMTYRXVQDHLA-UHFFFAOYSA-N -1 3 349.843 3.074 20 30 EGEDHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)c(C)c1 ZINC001196886782 1368706288 /nfs/dbraw/zinc/70/62/88/1368706288.db2.gz XVNJRTNNJULKGD-UHFFFAOYSA-N -1 3 330.409 3.293 20 30 EGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1C#N ZINC001201288256 1369511106 /nfs/dbraw/zinc/51/11/06/1369511106.db2.gz WVTDEWGIEURFSJ-UHFFFAOYSA-N -1 3 338.335 3.269 20 30 EGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2F)cc1C#N ZINC001201322522 1369519564 /nfs/dbraw/zinc/51/95/64/1369519564.db2.gz NEJXWCNFHVECET-UHFFFAOYSA-N -1 3 349.774 3.332 20 30 EGEDHM N#Cc1c(F)cc(Nc2nc(Br)ccc2[O-])cc1F ZINC001203669459 1370210126 /nfs/dbraw/zinc/21/01/26/1370210126.db2.gz SUFCLKVIMQFEGZ-UHFFFAOYSA-N -1 3 326.100 3.443 20 30 EGEDHM C=C(C)[C@@H](NC(=O)CCc1c(C)nc[n-]c1=O)c1ccc(F)c(F)c1 ZINC001116678717 1370955510 /nfs/dbraw/zinc/95/55/10/1370955510.db2.gz FHLBRPJZKHLBQY-QGZVFWFLSA-N -1 3 347.365 3.135 20 30 EGEDHM CC(=O)c1ccc([N-]c2nc(C#N)c(C#N)nc2Cl)c(F)c1F ZINC001214981434 1373151450 /nfs/dbraw/zinc/15/14/50/1373151450.db2.gz ANJPNOKPBGREHP-UHFFFAOYSA-N -1 3 333.685 3.098 20 30 EGEDHM CCOC(=O)c1cccc(NC(=O)Nc2ccc([O-])cc2C#N)c1 ZINC001188672944 1388358075 /nfs/dbraw/zinc/35/80/75/1388358075.db2.gz UDBGHGSSHPWKMD-UHFFFAOYSA-N -1 3 325.324 3.085 20 30 EGEDHM C=C[C@]1(C)CC[C@H](Oc2[n-]c(=O)ncc2C(F)(F)F)C(C)(C)O1 ZINC001225576846 1375126674 /nfs/dbraw/zinc/12/66/74/1375126674.db2.gz NOXATGVOSUVYPY-IINYFYTJSA-N -1 3 332.322 3.482 20 30 EGEDHM C=C[C@]1(C)CC[C@@H](Oc2ccc(-c3nnn[n-]3)cc2OC)C(C)(C)O1 ZINC001229342125 1375814212 /nfs/dbraw/zinc/81/42/12/1375814212.db2.gz PXPYQRYNBXHUBG-CRAIPNDOSA-N -1 3 344.415 3.156 20 30 EGEDHM C=C[C@]1(C)CC[C@@H](Oc2ccc(-c3nn[n-]n3)cc2OC)C(C)(C)O1 ZINC001229342125 1375814218 /nfs/dbraw/zinc/81/42/18/1375814218.db2.gz PXPYQRYNBXHUBG-CRAIPNDOSA-N -1 3 344.415 3.156 20 30 EGEDHM N#Cc1ccc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)cc1 ZINC001231911957 1376348043 /nfs/dbraw/zinc/34/80/43/1376348043.db2.gz QPVPBBYRTPFZAN-UHFFFAOYSA-N -1 3 327.815 3.239 20 30 EGEDHM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1c(Cl)ccc([O-])c1F ZINC001234263120 1376794145 /nfs/dbraw/zinc/79/41/45/1376794145.db2.gz RZRHEMFPNCNJHE-LBPRGKRZSA-N -1 3 344.842 3.376 20 30 EGEDHM N#Cc1cc(NC(=O)c2cc3cc(C(F)(F)F)cnc3[nH]2)ccc1[O-] ZINC001151461381 1379723405 /nfs/dbraw/zinc/72/34/05/1379723405.db2.gz MYESKSQLWLVDKD-UHFFFAOYSA-N -1 3 346.268 3.411 20 30 EGEDHM N#C[C@H](NC(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1)c1ccccc1 ZINC001153899603 1380152324 /nfs/dbraw/zinc/15/23/24/1380152324.db2.gz KUFHJOATRSFTQB-INIZCTEOSA-N -1 3 337.766 3.176 20 30 EGEDHM CC(C)C[C@](C)(C#N)NC(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153908230 1380153529 /nfs/dbraw/zinc/15/35/29/1380153529.db2.gz KRJNUNCXGRKCPF-QGZVFWFLSA-N -1 3 331.803 3.240 20 30 EGEDHM N#CCc1ccnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC001155914435 1380505166 /nfs/dbraw/zinc/50/51/66/1380505166.db2.gz PSXJXGFPCFAZID-UHFFFAOYSA-N -1 3 336.273 3.294 20 30 EGEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCCOC2CCCCC2)n1 ZINC001160276511 1382059107 /nfs/dbraw/zinc/05/91/07/1382059107.db2.gz QSIGVKZHDDSCAQ-RQZCQDPDSA-N -1 3 344.868 3.421 20 30 EGEDHM N#Cc1c[n-]n2c1nc(CN1CCCC3(CCCCC3)CC1)cc2=O ZINC001307685713 1384013542 /nfs/dbraw/zinc/01/35/42/1384013542.db2.gz HPPJRENYVHHXHW-UHFFFAOYSA-N -1 3 339.443 3.243 20 30 EGEDHM Cc1c(C)c(-c2ccc(Cl)cc2)nnc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171364847 1384502993 /nfs/dbraw/zinc/50/29/93/1384502993.db2.gz CHHWWJRXAULVJZ-XPTSAGLGSA-N -1 3 346.818 3.062 20 30 EGEDHM Cc1cc(Br)c(Cl)cc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171365121 1384503475 /nfs/dbraw/zinc/50/34/75/1384503475.db2.gz LQLDWKLCACMEOK-CPCISQLKSA-N -1 3 333.613 3.059 20 30 EGEDHM C=C(C)Cc1cccc(-c2nnc(Nc3ccn(CC)n3)n2C)c1[O-] ZINC001338524102 1389700436 /nfs/dbraw/zinc/70/04/36/1389700436.db2.gz UAZWZBDGUBEDJU-UHFFFAOYSA-N -1 3 338.415 3.266 20 30 EGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Cl)nc1C ZINC001341920877 1390550038 /nfs/dbraw/zinc/55/00/38/1390550038.db2.gz NSMZZRMCVFJDLV-GFCCVEGCSA-N -1 3 343.770 3.013 20 30 EGEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001342607987 1390631904 /nfs/dbraw/zinc/63/19/04/1390631904.db2.gz VPHYEJXOKRZPDL-MRXNPFEDSA-N -1 3 346.390 3.489 20 30 EGEDHM CC(C)n1ncc2c1nc(C1CC1)cc2C([O-])=C(C#N)c1nccn1C ZINC001343715419 1390732894 /nfs/dbraw/zinc/73/28/94/1390732894.db2.gz CUDNRKUBPWTSGP-AWEZNQCLSA-N -1 3 348.410 3.113 20 30 EGEDHM CCN(Cc1cc(-c2nn[n-]n2)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825428288 1441923846 /nfs/dbraw/zinc/92/38/46/1441923846.db2.gz IFSRSZTYPXXUML-LBPRGKRZSA-N -1 3 338.440 3.383 20 30 EGEDHM CCN(Cc1cc(-c2nnn[n-]2)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825428288 1441923849 /nfs/dbraw/zinc/92/38/49/1441923849.db2.gz IFSRSZTYPXXUML-LBPRGKRZSA-N -1 3 338.440 3.383 20 30 EGEDHM COC(=O)CCCC[C@@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821660017 945783243 /nfs/dbraw/zinc/78/32/43/945783243.db2.gz CNQVSMRKRAWEQY-GFCCVEGCSA-N -1 3 344.419 3.024 20 30 EGEDHM COC(=O)CCCC[C@@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821660017 945783245 /nfs/dbraw/zinc/78/32/45/945783245.db2.gz CNQVSMRKRAWEQY-GFCCVEGCSA-N -1 3 344.419 3.024 20 30 EGEDHM C=CC[C@H]1CCCN(c2cc(Br)ccc2-c2nnn[n-]2)C1 ZINC001573328927 947416801 /nfs/dbraw/zinc/41/68/01/947416801.db2.gz DYWVLIVINVVXLW-NSHDSACASA-N -1 3 348.248 3.422 20 30 EGEDHM C=CC[C@H]1CCCN(c2cc(Br)ccc2-c2nn[n-]n2)C1 ZINC001573328927 947416803 /nfs/dbraw/zinc/41/68/03/947416803.db2.gz DYWVLIVINVVXLW-NSHDSACASA-N -1 3 348.248 3.422 20 30 EGEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCc2ccc(F)cc21 ZINC000826475823 948378477 /nfs/dbraw/zinc/37/84/77/948378477.db2.gz SBSWQWULQZBZPA-YHYXMXQVSA-N -1 3 326.356 3.280 20 30 EGEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CCc2ccc(F)cc21 ZINC000826475823 948378485 /nfs/dbraw/zinc/37/84/85/948378485.db2.gz SBSWQWULQZBZPA-YHYXMXQVSA-N -1 3 326.356 3.280 20 30 EGEDHM C#CCOc1ccc(CNCc2cc(C(=O)[O-])c(C(C)C)[nH]2)cc1 ZINC001573311589 962708147 /nfs/dbraw/zinc/70/81/47/962708147.db2.gz CENXRMXJUPBJMP-UHFFFAOYSA-N -1 3 326.396 3.138 20 30 EGEDHM C=CCC[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001588778479 984160852 /nfs/dbraw/zinc/16/08/52/984160852.db2.gz BJTCHOHIRBDMJP-OAHLLOKOSA-N -1 3 339.395 3.015 20 30 EGEDHM C=CCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(OC)c2)c1 ZINC001588872807 984442599 /nfs/dbraw/zinc/44/25/99/984442599.db2.gz LAXAFWNYJKKISE-SFHVURJKSA-N -1 3 327.380 3.176 20 30 EGEDHM CCO[C@H]1C[C@H](NCc2cccc(C(=O)[O-])c2C#N)C12CCCC2 ZINC001596838626 985509481 /nfs/dbraw/zinc/50/94/81/985509481.db2.gz ORVXFMXCZLENGK-IRXDYDNUSA-N -1 3 328.412 3.084 20 30 EGEDHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2ccc(C#N)cc2C)c1 ZINC001599655332 994569253 /nfs/dbraw/zinc/56/92/53/994569253.db2.gz JPPWPJDJVZBZQL-HXUWFJFHSA-N -1 3 338.407 3.355 20 30 EGEDHM COc1cc(CNCc2c3ccccc3[nH]c2C(=O)[O-])ccc1C#N ZINC001599415391 997499502 /nfs/dbraw/zinc/49/95/02/997499502.db2.gz LPOAHMOMYUTKHG-UHFFFAOYSA-N -1 3 335.363 3.036 20 30 EGEDHM CCOc1nc2ccc(C(=O)Nc3cc(C#N)ccc3NC)cc2[n-]1 ZINC000355648837 166271959 /nfs/dbraw/zinc/27/19/59/166271959.db2.gz YIACTEREYXBFLS-UHFFFAOYSA-N -1 3 335.367 3.127 20 30 EGEDHM CCOc1nc2cc(C(=O)Nc3cc(C#N)ccc3NC)ccc2[n-]1 ZINC000355648837 166271961 /nfs/dbraw/zinc/27/19/61/166271961.db2.gz YIACTEREYXBFLS-UHFFFAOYSA-N -1 3 335.367 3.127 20 30 EGEDHM Cc1ccsc1CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000355765506 166301011 /nfs/dbraw/zinc/30/10/11/166301011.db2.gz UQOFMJAXUJFTKQ-UHFFFAOYSA-N -1 3 340.857 3.103 20 30 EGEDHM N#Cc1cnc2ccccc2c1NCCCNC(=O)c1cccc([O-])c1 ZINC000301390280 270044029 /nfs/dbraw/zinc/04/40/29/270044029.db2.gz AGJBCQHMXIPZQE-UHFFFAOYSA-N -1 3 346.390 3.044 20 30 EGEDHM N#Cc1cccc(N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000301808565 270044303 /nfs/dbraw/zinc/04/43/03/270044303.db2.gz AVOPFVDCFUWDAS-INIZCTEOSA-N -1 3 342.830 3.389 20 30 EGEDHM N#Cc1cccc(CN[C@H](CSCCc2ccccc2)C(=O)[O-])c1 ZINC000426725163 270049711 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N#Cc1ccc(C(=O)NCCN2CCC3(CCCCC3)CC2)cc1[O-] ZINC000442966991 268198355 /nfs/dbraw/zinc/19/83/55/268198355.db2.gz MYQDHQIQSPNJPY-UHFFFAOYSA-N -1 3 341.455 3.040 20 30 EGEDHM CC(C)n1cc(C#N)c([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000161090305 307898359 /nfs/dbraw/zinc/89/83/59/307898359.db2.gz HDZBSSRHIRIEGT-UHFFFAOYSA-N -1 3 333.735 3.150 20 30 EGEDHM N#CCc1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000077022829 454061100 /nfs/dbraw/zinc/06/11/00/454061100.db2.gz FNTXRYLDXXUULQ-UHFFFAOYSA-N -1 3 331.169 3.473 20 30 EGEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2cc3ccccc3o2)c1 ZINC000535754889 314068556 /nfs/dbraw/zinc/06/85/56/314068556.db2.gz WTFQMENMJFUIFX-UHFFFAOYSA-N -1 3 344.367 3.063 20 30 EGEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)N(C)c1cccc(C#N)c1)c2=O ZINC000578800314 325020368 /nfs/dbraw/zinc/02/03/68/325020368.db2.gz DWGLVARDWSOOHG-UHFFFAOYSA-N -1 3 335.338 3.124 20 30 EGEDHM Cc1cc(F)cc2c([O-])c(C(=O)N(C)c3cccc(C#N)c3)cnc12 ZINC000578800314 325020373 /nfs/dbraw/zinc/02/03/73/325020373.db2.gz DWGLVARDWSOOHG-UHFFFAOYSA-N -1 3 335.338 3.124 20 30 EGEDHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000157698248 455222024 /nfs/dbraw/zinc/22/20/24/455222024.db2.gz NABYSUZXMXQWED-QWRGUYRKSA-N -1 3 344.889 3.164 20 30 EGEDHM N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc([O-])cc1F ZINC000180855098 455256626 /nfs/dbraw/zinc/25/66/26/455256626.db2.gz FTUOBHNYCDDQHJ-UHFFFAOYSA-N -1 3 341.342 3.150 20 30 EGEDHM COc1ccnc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000605432130 460581060 /nfs/dbraw/zinc/58/10/60/460581060.db2.gz ZVOJYARLSRSRGI-ZDUSSCGKSA-N -1 3 336.376 3.099 20 30 EGEDHM CSc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000012039293 453343528 /nfs/dbraw/zinc/34/35/28/453343528.db2.gz LGKYPFMSTHGCDZ-UHFFFAOYSA-N -1 3 341.436 3.157 20 30 EGEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000029329295 453828316 /nfs/dbraw/zinc/82/83/16/453828316.db2.gz SBLFKZQIBAZIMW-UHFFFAOYSA-N -1 3 345.424 3.103 20 30 EGEDHM CSc1ncc(C([O-])=C(C#N)c2ccccn2)n1-c1ccccc1 ZINC000041492196 453969378 /nfs/dbraw/zinc/96/93/78/453969378.db2.gz ZEEDYQLWVSXUFP-CQSZACIVSA-N -1 3 334.404 3.479 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCCC2)c(C(F)(F)F)c1 ZINC000056042940 454034522 /nfs/dbraw/zinc/03/45/22/454034522.db2.gz CGBWCAFKTNPXNR-UHFFFAOYSA-N -1 3 332.347 3.046 20 30 EGEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000088547264 454111432 /nfs/dbraw/zinc/11/14/32/454111432.db2.gz SEIJWGUCWYFEJA-UHFFFAOYSA-N -1 3 328.727 3.291 20 30 EGEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(CN(C)C)c1 ZINC000077966354 454172484 /nfs/dbraw/zinc/17/24/84/454172484.db2.gz RLBBTQBFXWZSBD-UHFFFAOYSA-N -1 3 343.452 3.038 20 30 EGEDHM Cc1ccc([O-])c(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c1 ZINC000094106157 454187426 /nfs/dbraw/zinc/18/74/26/454187426.db2.gz MNFXRFZGDQGQOQ-UHFFFAOYSA-N -1 3 338.363 3.032 20 30 EGEDHM CCc1nnsc1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](C)C2 ZINC000061047242 454326262 /nfs/dbraw/zinc/32/62/62/454326262.db2.gz WZFWUVWTPHWESD-QMMMGPOBSA-N -1 3 332.454 3.411 20 30 EGEDHM CCc1nnsc1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000072728529 454334704 /nfs/dbraw/zinc/33/47/04/454334704.db2.gz WZFWUVWTPHWESD-MRVPVSSYSA-N -1 3 332.454 3.411 20 30 EGEDHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000184750506 455441857 /nfs/dbraw/zinc/44/18/57/455441857.db2.gz BKHXZVFJINHMRQ-NWDGAFQWSA-N -1 3 344.889 3.164 20 30 EGEDHM Cc1nn(C)c(C)c1-c1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)n[n-]1 ZINC000079014816 454355560 /nfs/dbraw/zinc/35/55/60/454355560.db2.gz XTHIIICSGWWZKZ-ZDUSSCGKSA-N -1 3 349.394 3.217 20 30 EGEDHM N#CC(=C([O-])c1cnn(-c2ccccc2)c1)c1nc2ccccc2[nH]1 ZINC000073972441 454509881 /nfs/dbraw/zinc/50/98/81/454509881.db2.gz XHEFODPXZUBCBW-HNNXBMFYSA-N -1 3 327.347 3.239 20 30 EGEDHM CCCOc1ccc(/C=N/C[C@@H](O)c2ccc(OC)cc2)c([O-])c1 ZINC000122548478 454546225 /nfs/dbraw/zinc/54/62/25/454546225.db2.gz RSXVISCPRWJJSM-FUNKKEAFSA-N -1 3 329.396 3.342 20 30 EGEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)CO3)n1 ZINC000080455209 454583579 /nfs/dbraw/zinc/58/35/79/454583579.db2.gz OPEINAAMRHXTOH-LLVKDONJSA-N -1 3 341.392 3.087 20 30 EGEDHM C=CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000123047343 454596140 /nfs/dbraw/zinc/59/61/40/454596140.db2.gz OGLAJWRKIAFCGW-QGZVFWFLSA-N -1 3 334.375 3.008 20 30 EGEDHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000104762596 454601927 /nfs/dbraw/zinc/60/19/27/454601927.db2.gz AAPXDTLNXATBMH-JOYOIKCWSA-N -1 3 332.347 3.044 20 30 EGEDHM CCN(CCC#N)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000081040769 454676082 /nfs/dbraw/zinc/67/60/82/454676082.db2.gz AOBPUKRLLIZXKM-UHFFFAOYSA-N -1 3 338.436 3.387 20 30 EGEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000135512724 454685370 /nfs/dbraw/zinc/68/53/70/454685370.db2.gz VTRHCHKOGSWEHW-UHFFFAOYSA-N -1 3 348.334 3.173 20 30 EGEDHM CCOc1ccccc1C(F)(F)C(=O)[N-]C1(C#N)CCSCC1 ZINC000162649509 454791376 /nfs/dbraw/zinc/79/13/76/454791376.db2.gz YZOUAASWFYDMEQ-UHFFFAOYSA-N -1 3 340.395 3.083 20 30 EGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1cccc(Cl)c1 ZINC000125483906 454825607 /nfs/dbraw/zinc/82/56/07/454825607.db2.gz BYASMOGNCUYSLG-CQSZACIVSA-N -1 3 337.770 3.114 20 30 EGEDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000153858205 454840714 /nfs/dbraw/zinc/84/07/14/454840714.db2.gz OVDAZUZEGOISPL-UHFFFAOYSA-N -1 3 333.250 3.006 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1nc(-c2ccccc2)cs1 ZINC000165215496 454897161 /nfs/dbraw/zinc/89/71/61/454897161.db2.gz VTXGOKXCHAMIEC-LBPRGKRZSA-N -1 3 347.465 3.094 20 30 EGEDHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1C ZINC000170848674 454987159 /nfs/dbraw/zinc/98/71/59/454987159.db2.gz UJCQLTUNFJYDQZ-UHFFFAOYSA-N -1 3 334.372 3.124 20 30 EGEDHM N#CCCN(CCC#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179461385 455049469 /nfs/dbraw/zinc/04/94/69/455049469.db2.gz VSICXUDTYNZXIS-UHFFFAOYSA-N -1 3 335.363 3.454 20 30 EGEDHM COc1cc(OC)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190970634 455416982 /nfs/dbraw/zinc/41/69/82/455416982.db2.gz NIJUSNBQQWVAHF-OAHLLOKOSA-N -1 3 333.347 3.137 20 30 EGEDHM CO[C@@H](C/N=C/c1c([O-])c(C)ncc1CO)c1ccc(Cl)cc1 ZINC000265984440 455421005 /nfs/dbraw/zinc/42/10/05/455421005.db2.gz GOULQSFTFUKKQN-SNTNMBAUSA-N -1 3 334.803 3.048 20 30 EGEDHM Cn1ncc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1 ZINC000283820853 455599564 /nfs/dbraw/zinc/59/95/64/455599564.db2.gz JZUNQCLBZHOTJK-SNVBAGLBSA-N -1 3 343.456 3.152 20 30 EGEDHM CSCCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000185976602 455666798 /nfs/dbraw/zinc/66/67/98/455666798.db2.gz CYWQJDVJXUIEMP-UHFFFAOYSA-N -1 3 332.878 3.023 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@H](C[C@@H]2CCOC2)c2ccccc2)c1[O-] ZINC000269951071 455854524 /nfs/dbraw/zinc/85/45/24/455854524.db2.gz HPRLMAPKSXNUAT-GEMKYPGKSA-N -1 3 340.423 3.175 20 30 EGEDHM C#CCn1ccc(CN(CC)Cc2ccc(OCCC)cc2[O-])n1 ZINC000279435117 455865005 /nfs/dbraw/zinc/86/50/05/455865005.db2.gz QTTDLXUMJQYXEN-UHFFFAOYSA-N -1 3 327.428 3.033 20 30 EGEDHM COc1cc(/C=C\C(=O)Nc2cc(F)ccc2[O-])ccc1OCC#N ZINC000255512914 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EGEDHM C=CCC[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C(=O)OCC ZINC000837022425 1320566408 /nfs/dbraw/zinc/56/64/08/1320566408.db2.gz HRQDXXZAJUDIJH-CYBMUJFWSA-N -1 3 333.409 3.235 20 30 EGEDHM C=CCO[N-]C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000837049319 1320568899 /nfs/dbraw/zinc/56/88/99/1320568899.db2.gz DOJSOVBGHHXYRW-UHFFFAOYSA-N -1 3 333.819 3.052 20 30 EGEDHM CC[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccncc1 ZINC000839002551 1320848725 /nfs/dbraw/zinc/84/87/25/1320848725.db2.gz FCLZJINAEIZVHI-KRWDZBQOSA-N -1 3 339.395 3.298 20 30 EGEDHM Cc1ccc(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(F)c1 ZINC000841331309 1321258495 /nfs/dbraw/zinc/25/84/95/1321258495.db2.gz WLQTZWDLWLWFME-UHFFFAOYSA-N -1 3 341.386 3.319 20 30 EGEDHM COc1cc(C(=O)/C=C\c2ccnn2CC(C)C)c(OC)cc1[O-] ZINC000843269278 1321496359 /nfs/dbraw/zinc/49/63/59/1321496359.db2.gz MNWBSSCYXHAYTK-WAYWQWQTSA-N -1 3 330.384 3.158 20 30 EGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000846544018 1321792603 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EGEDHM N#CCC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826381676 607708055 /nfs/dbraw/zinc/70/80/55/607708055.db2.gz UQLMFRKHNHCCPK-QGZVFWFLSA-N -1 3 336.374 3.140 20 30 EGEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000822669936 606390894 /nfs/dbraw/zinc/39/08/94/606390894.db2.gz VMHDNKDJHIGAFL-SOFGYWHQSA-N -1 3 335.392 3.316 20 30 EGEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnc(C2CCC2)s1 ZINC000819718207 607146303 /nfs/dbraw/zinc/14/63/03/607146303.db2.gz ANJHRJGTDISHBA-UHFFFAOYSA-N -1 3 325.401 3.037 20 30 EGEDHM Cc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cnc1Cl ZINC000822198623 607149062 /nfs/dbraw/zinc/14/90/62/607149062.db2.gz CNTAMGOUNHODQA-AATRIKPKSA-N -1 3 325.759 3.120 20 30 EGEDHM Cc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cnc1Cl ZINC000822198623 607149063 /nfs/dbraw/zinc/14/90/63/607149063.db2.gz CNTAMGOUNHODQA-AATRIKPKSA-N -1 3 325.759 3.120 20 30 EGEDHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(C#N)cc1 ZINC000825351740 607974655 /nfs/dbraw/zinc/97/46/55/607974655.db2.gz ICGSOHBPXKQXIL-UHFFFAOYSA-N -1 3 329.367 3.165 20 30 EGEDHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(C#N)cc1 ZINC000825351740 607974656 /nfs/dbraw/zinc/97/46/56/607974656.db2.gz ICGSOHBPXKQXIL-UHFFFAOYSA-N -1 3 329.367 3.165 20 30 EGEDHM C=CC1CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000823888553 608050024 /nfs/dbraw/zinc/05/00/24/608050024.db2.gz QEZLDXXBNKPFGG-UHFFFAOYSA-N -1 3 334.221 3.032 20 30 EGEDHM C#CCCCNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823841243 608318663 /nfs/dbraw/zinc/31/86/63/608318663.db2.gz KDIDWJKUBFMAMU-UHFFFAOYSA-N -1 3 333.395 3.271 20 30 EGEDHM C#CCCCNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823841243 608318665 /nfs/dbraw/zinc/31/86/65/608318665.db2.gz KDIDWJKUBFMAMU-UHFFFAOYSA-N -1 3 333.395 3.271 20 30 EGEDHM C#CCCCCCC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823840995 609523070 /nfs/dbraw/zinc/52/30/70/609523070.db2.gz HLZRPAADQBYRCO-HNNXBMFYSA-N -1 3 339.443 3.360 20 30 EGEDHM C#CCCCCCC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823840995 609523072 /nfs/dbraw/zinc/52/30/72/609523072.db2.gz HLZRPAADQBYRCO-HNNXBMFYSA-N -1 3 339.443 3.360 20 30 EGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccc(Cn2cncn2)cc1 ZINC000054996646 1291770007 /nfs/dbraw/zinc/77/00/07/1291770007.db2.gz KFIDTUKYNVNLGD-DJKKODMXSA-N -1 3 326.787 3.305 20 30 EGEDHM Cc1cc(C(=O)Nc2ncccc2[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000077424164 1292463436 /nfs/dbraw/zinc/46/34/36/1292463436.db2.gz KIGKPLRESSYEAL-UHFFFAOYSA-N -1 3 332.363 3.319 20 30 EGEDHM C=CCn1c2ccccc2nc1SCCC[N-]C(=O)C(F)(F)F ZINC000119023403 1293250924 /nfs/dbraw/zinc/25/09/24/1293250924.db2.gz KGCWOEMMJNLUDX-UHFFFAOYSA-N -1 3 343.374 3.383 20 30 EGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000121769908 1293389254 /nfs/dbraw/zinc/38/92/54/1293389254.db2.gz XCEJPVTWEMRFEG-INIZCTEOSA-N -1 3 337.335 3.173 20 30 EGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc(-n2cncn2)cc1 ZINC000137838652 1293832217 /nfs/dbraw/zinc/83/22/17/1293832217.db2.gz OFCCMOFTLRWROQ-KYJZABPNSA-N -1 3 335.338 3.495 20 30 EGEDHM O=C1[C@H](/N=C/c2cc(Cl)ccc2[O-])CCCN1CC(F)(F)F ZINC000157194857 1294171154 /nfs/dbraw/zinc/17/11/54/1294171154.db2.gz REGCVIJUORMSAJ-FQDFOOGXSA-N -1 3 334.725 3.018 20 30 EGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1oc(C)cc1C ZINC000175110492 1294540380 /nfs/dbraw/zinc/54/03/80/1294540380.db2.gz ZGWAWLYYMQFUJS-ZDUSSCGKSA-N -1 3 326.352 3.256 20 30 EGEDHM N#Cc1ccc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000178675995 1294750241 /nfs/dbraw/zinc/75/02/41/1294750241.db2.gz QERKIPPIFBLCQA-UHFFFAOYSA-N -1 3 334.297 3.368 20 30 EGEDHM O=C(c1cccc(N=Cc2cc(Cl)ccc2[O-])c1)N1CCOCC1 ZINC000254992870 1296486561 /nfs/dbraw/zinc/48/65/61/1296486561.db2.gz UMZSEBVQEQMEIS-UHFFFAOYSA-N -1 3 344.798 3.269 20 30 EGEDHM CN(C)S(=O)(=O)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255037443 1296490970 /nfs/dbraw/zinc/49/09/70/1296490970.db2.gz CJLUMHGRMBVWGG-UHFFFAOYSA-N -1 3 338.816 3.047 20 30 EGEDHM COc1cc(C(=O)/C=C\c2ccc3c(c2)CCN3C)c(OC)cc1[O-] ZINC000255283202 1296513142 /nfs/dbraw/zinc/51/31/42/1296513142.db2.gz CRGUSDVLXLJILV-ALCCZGGFSA-N -1 3 339.391 3.298 20 30 EGEDHM C[S@@](=O)Cc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1Cl ZINC000255429272 1296533335 /nfs/dbraw/zinc/53/33/35/1296533335.db2.gz USSJVSMYFIIKKS-JOCHJYFZSA-N -1 3 339.800 3.086 20 30 EGEDHM COc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1-n1nnnc1C ZINC000255573088 1296549052 /nfs/dbraw/zinc/54/90/52/1296549052.db2.gz UBMMUGQSSCMHIT-UHFFFAOYSA-N -1 3 343.774 3.089 20 30 EGEDHM CC(C)Cc1nc(C#N)c([N-]N=Cc2cc3ccccc3[nH]c2=O)o1 ZINC000745613833 1298430449 /nfs/dbraw/zinc/43/04/49/1298430449.db2.gz QOMCTKRMWMDWPV-UHFFFAOYSA-N -1 3 335.367 3.445 20 30 EGEDHM CC(=NNc1cc(C)ncn1)c1cc(Br)c(F)cc1[O-] ZINC000746575283 1298615526 /nfs/dbraw/zinc/61/55/26/1298615526.db2.gz DFIOCVKGBNJORO-UHFFFAOYSA-N -1 3 339.168 3.228 20 30 EGEDHM CCOc1cc(C=NNC(=S)N[C@H](C)C2CC2)cc(Cl)c1[O-] ZINC000751530267 1299563118 /nfs/dbraw/zinc/56/31/18/1299563118.db2.gz AISYRJBGWCODDK-SECBINFHSA-N -1 3 341.864 3.041 20 30 EGEDHM CNc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc(Cl)n1 ZINC000755580823 1300360693 /nfs/dbraw/zinc/36/06/93/1300360693.db2.gz PFQIZAGJFYTDIL-NSHDSACASA-N -1 3 339.786 3.153 20 30 EGEDHM CCc1noc(C)c1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000764303585 1302040517 /nfs/dbraw/zinc/04/05/17/1302040517.db2.gz NGJWXOYCMWISRW-UHFFFAOYSA-N -1 3 334.719 3.231 20 30 EGEDHM COc1cc(C(C)N=Nc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000764650361 1302110106 /nfs/dbraw/zinc/11/01/06/1302110106.db2.gz VRWPCASTJZOPHJ-UHFFFAOYSA-N -1 3 346.299 3.053 20 30 EGEDHM COc1ccc2c(c1)CCC[C@@H]2C/N=C/c1c([O-])c(C)ncc1CO ZINC000766008467 1302368381 /nfs/dbraw/zinc/36/83/81/1302368381.db2.gz HQKROPBEFGXDPD-UGVMZYNRSA-N -1 3 340.423 3.136 20 30 EGEDHM COc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc(OC)c1[O-] ZINC000784360661 1305234840 /nfs/dbraw/zinc/23/48/40/1305234840.db2.gz MOSPLTQHPPDBEA-NSHDSACASA-N -1 3 327.336 3.199 20 30 EGEDHM N#CCOc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000786874647 1305644287 /nfs/dbraw/zinc/64/42/87/1305644287.db2.gz YYEYOEQYWPMIAK-UHFFFAOYSA-N -1 3 342.370 3.073 20 30 EGEDHM CCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000789404396 1306155043 /nfs/dbraw/zinc/15/50/43/1306155043.db2.gz RRMKYNIOUYBEPC-CYBMUJFWSA-N -1 3 327.771 3.259 20 30 EGEDHM COc1ccc(/C=C/C(=O)N([O-])Cc2ccc(F)cc2)cc1OC ZINC000901373361 1317412541 /nfs/dbraw/zinc/41/25/41/1317412541.db2.gz XHBAZQKOJCIFHY-UXBLZVDNSA-N -1 3 331.343 3.274 20 30 EGEDHM CCc1ncncc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380328 1317413723 /nfs/dbraw/zinc/41/37/23/1317413723.db2.gz UTRSCODRKTYKFV-UHFFFAOYSA-N -1 3 326.183 3.377 20 30 EGEDHM Cn1nc2c(c1C(=O)N([O-])Cc1cccc3ccccc31)CCCC2 ZINC000904171667 1317803300 /nfs/dbraw/zinc/80/33/00/1317803300.db2.gz QPCKHVYPLCUOSX-UHFFFAOYSA-N -1 3 335.407 3.484 20 30 EGEDHM CO[C@@H](COC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1 ZINC000811187460 1318120567 /nfs/dbraw/zinc/12/05/67/1318120567.db2.gz HIAOBGCTSVGCMS-INIZCTEOSA-N -1 3 331.755 3.462 20 30 EGEDHM CC(=NNC[C@@H]1CCSC1)c1ccc(Br)cc1[O-] ZINC000811661173 1318222145 /nfs/dbraw/zinc/22/21/45/1318222145.db2.gz FTQLZRIWNOZSRP-JTQLQIEISA-N -1 3 329.263 3.221 20 30 EGEDHM C=CCn1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])nn1 ZINC000818346440 1319534412 /nfs/dbraw/zinc/53/44/12/1319534412.db2.gz FFMVIDVJXHQZQH-SNVBAGLBSA-N -1 3 326.322 3.039 20 30 EGEDHM Cc1cc(=O)[n-]c(N=NC2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000915931838 1319565955 /nfs/dbraw/zinc/56/59/55/1319565955.db2.gz ILFLCCMKWDJSAA-UHFFFAOYSA-N -1 3 345.834 3.208 20 30 EGEDHM Cc1ncc(CO)c(/C=N/Cc2cc(Br)cs2)c1[O-] ZINC000915983346 1319579223 /nfs/dbraw/zinc/57/92/23/1319579223.db2.gz ZAOBOYGCFJMRLK-PJQLUOCWSA-N -1 3 341.230 3.031 20 30 EGEDHM CC(=NNc1ccc(C)cc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000916249915 1319625007 /nfs/dbraw/zinc/62/50/07/1319625007.db2.gz CZTKYYCYQHCQHB-UHFFFAOYSA-N -1 3 339.439 3.369 20 30 EGEDHM CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000916911953 1319725188 /nfs/dbraw/zinc/72/51/88/1319725188.db2.gz OMFVTQCKUVRZDQ-GFCCVEGCSA-N -1 3 344.802 3.253 20 30 EGEDHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@@](C)(C#N)CC(C)C ZINC000822913045 1320136521 /nfs/dbraw/zinc/13/65/21/1320136521.db2.gz RCSZWJSLRWWHHA-MRXNPFEDSA-N -1 3 337.370 3.181 20 30 EGEDHM CC(C)(C)C#CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000837567221 1320645214 /nfs/dbraw/zinc/64/52/14/1320645214.db2.gz WSILHFNEZKPKQJ-UHFFFAOYSA-N -1 3 328.181 3.186 20 30 EGEDHM C=CCN(CC(=O)[O-])Cc1cc(Br)ccc1OCCC ZINC000846263356 1321780843 /nfs/dbraw/zinc/78/08/43/1321780843.db2.gz JXRMCAAPBZZPJR-UHFFFAOYSA-N -1 3 342.233 3.311 20 30 EGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(F)cc1Cl ZINC000920384348 1322170741 /nfs/dbraw/zinc/17/07/41/1322170741.db2.gz ZJLJKWBTDFFKBX-UHFFFAOYSA-N -1 3 340.807 3.323 20 30 EGEDHM C=CCCO[N-]C(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000856029555 1325440636 /nfs/dbraw/zinc/44/06/36/1325440636.db2.gz SUXKGNUFTJJRNV-UHFFFAOYSA-N -1 3 338.411 3.056 20 30 EGEDHM C=CCCO[N-]C(=O)Cc1c(C)[nH]c2ccc(Br)cc21 ZINC000856029959 1325441397 /nfs/dbraw/zinc/44/13/97/1325441397.db2.gz KFKCQFDBPYXDLL-UHFFFAOYSA-N 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ZINC001106227846 1366628889 /nfs/dbraw/zinc/62/88/89/1366628889.db2.gz BJTBJNPRLCMHLJ-GFCCVEGCSA-N -1 3 327.359 3.023 20 30 EGEDHM N#Cc1cc(Cl)cc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c1 ZINC001189319072 1366988026 /nfs/dbraw/zinc/98/80/26/1366988026.db2.gz YFANJDDVMWRZRF-UHFFFAOYSA-N -1 3 342.754 3.432 20 30 EGEDHM N#C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1F)c1ccccc1 ZINC001191863034 1367617764 /nfs/dbraw/zinc/61/77/64/1367617764.db2.gz GESNEBOFJWLZKZ-HNNXBMFYSA-N -1 3 338.791 3.163 20 30 EGEDHM N#CC1([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)CCCCC1 ZINC001191915764 1367638730 /nfs/dbraw/zinc/63/87/30/1367638730.db2.gz VQYRHVCFNDSGCL-UHFFFAOYSA-N -1 3 330.812 3.125 20 30 EGEDHM N#CCCN(Cc1cccnc1)C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193733900 1368104392 /nfs/dbraw/zinc/10/43/92/1368104392.db2.gz ATNBQCCNXWPCNF-UHFFFAOYSA-N -1 3 349.312 3.362 20 30 EGEDHM C[Si](C)(C)C#Cc1cccc([N-]S(=O)(=O)c2ccc(O)cc2)c1 ZINC001195805261 1368494338 /nfs/dbraw/zinc/49/43/38/1368494338.db2.gz CPQVPWLXEBIGEE-UHFFFAOYSA-N -1 3 345.496 3.422 20 30 EGEDHM N#Cc1c(Cl)ccc(NS(=O)(=O)c2ccc([O-])cc2)c1Cl ZINC001195810743 1368496033 /nfs/dbraw/zinc/49/60/33/1368496033.db2.gz LMMLHTYBOLZOIW-UHFFFAOYSA-N -1 3 343.191 3.371 20 30 EGEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)c(C)c1 ZINC001198951125 1369156331 /nfs/dbraw/zinc/15/63/31/1369156331.db2.gz NRSJVPADATYRJR-UHFFFAOYSA-N -1 3 334.372 3.010 20 30 EGEDHM N#Cc1sc(-c2ccc(F)cc2)cc1[N-]C(=O)c1cnc(C#N)cn1 ZINC001199661602 1369250649 /nfs/dbraw/zinc/25/06/49/1369250649.db2.gz HOULOPCZNSMMKA-UHFFFAOYSA-N -1 3 349.350 3.340 20 30 EGEDHM CCOCCS(=O)(=O)[N-]c1ccccc1-c1ccc(C#N)cc1 ZINC001187292523 1388089387 /nfs/dbraw/zinc/08/93/87/1388089387.db2.gz XLJCELJOFBCNIK-UHFFFAOYSA-N -1 3 330.409 3.003 20 30 EGEDHM N#CC(=C([O-])c1ccc2ncccc2c1)c1nc(N)c2ccccc2n1 ZINC001122499241 1372260995 /nfs/dbraw/zinc/26/09/95/1372260995.db2.gz GAYFCSDEXPTKIB-OAHLLOKOSA-N -1 3 339.358 3.250 20 30 EGEDHM N#Cc1ccc([O-])c(Nc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC001212922313 1372796583 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C=C(C)C[C@H](C)C(=O)NCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001756278963 1441000238 /nfs/dbraw/zinc/00/02/38/1441000238.db2.gz HFMPPWZEAPDDSO-LSDHHAIUSA-N -1 3 332.444 3.009 20 30 EGEDHM C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824532458 1443605369 /nfs/dbraw/zinc/60/53/69/1443605369.db2.gz UOGBJTIKLUXVNQ-VXGBXAGGSA-N -1 3 336.374 3.289 20 30 EGEDHM C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824532458 1443605371 /nfs/dbraw/zinc/60/53/71/1443605371.db2.gz UOGBJTIKLUXVNQ-VXGBXAGGSA-N -1 3 336.374 3.289 20 30 EGEDHM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822271422 946040626 /nfs/dbraw/zinc/04/06/26/946040626.db2.gz ZNUVMUMDOVGUIS-SNAWJCMRSA-N -1 3 341.352 3.041 20 30 EGEDHM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822271422 946040635 /nfs/dbraw/zinc/04/06/35/946040635.db2.gz ZNUVMUMDOVGUIS-SNAWJCMRSA-N -1 3 341.352 3.041 20 30 EGEDHM C#Cc1cccc(N(C(=O)c2ccc(-c3nnn[n-]3)cc2F)C(C)C)c1 ZINC001573289705 946892317 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C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H](CC)C(C)C ZINC000735419975 575658863 /nfs/dbraw/zinc/65/88/63/575658863.db2.gz KXUQAQGKZWXUAU-MRXNPFEDSA-N -1 3 341.459 3.454 20 30 EGEDHM CCc1ccc([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736687755 576005940 /nfs/dbraw/zinc/00/59/40/576005940.db2.gz OYWLXTNIXNDJBY-GFCCVEGCSA-N -1 3 346.394 3.043 20 30 EGEDHM CCc1ccc([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736687755 576005942 /nfs/dbraw/zinc/00/59/42/576005942.db2.gz OYWLXTNIXNDJBY-GFCCVEGCSA-N -1 3 346.394 3.043 20 30 EGEDHM CC[C@@H](C#N)Oc1cccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC000736847368 576046892 /nfs/dbraw/zinc/04/68/92/576046892.db2.gz BTPYPHHSKHKZQO-WMZOPIPTSA-N -1 3 342.370 3.422 20 30 EGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2occc2s1 ZINC000737323626 576205611 /nfs/dbraw/zinc/20/56/11/576205611.db2.gz WCJDJDODGSNSAA-JTQLQIEISA-N -1 3 340.360 3.464 20 30 EGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3occc3s2)cc1 ZINC000737322870 576205697 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CCOc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821416569 606303157 /nfs/dbraw/zinc/30/31/57/606303157.db2.gz AOZOEUBUPROJPO-BQYQJAHWSA-N -1 3 326.381 3.223 20 30 EGEDHM Cc1nn(C(C)C)c(C)c1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822486263 606305728 /nfs/dbraw/zinc/30/57/28/606305728.db2.gz DKJYSWMWMYRKOI-AATRIKPKSA-N -1 3 342.428 3.219 20 30 EGEDHM Cc1nn(C(C)C)c(C)c1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822486263 606305730 /nfs/dbraw/zinc/30/57/30/606305730.db2.gz DKJYSWMWMYRKOI-AATRIKPKSA-N -1 3 342.428 3.219 20 30 EGEDHM COc1ccc2oc(C=NNc3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000826213593 608110231 /nfs/dbraw/zinc/11/02/31/608110231.db2.gz CXCLTRJITFNVJF-UHFFFAOYSA-N -1 3 334.339 3.068 20 30 EGEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccccc1Cl ZINC000823958556 608538537 /nfs/dbraw/zinc/53/85/37/608538537.db2.gz QJSMQESEHJTZOD-UHFFFAOYSA-N -1 3 348.197 3.405 20 30 EGEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1Cl ZINC000823958556 608538538 /nfs/dbraw/zinc/53/85/38/608538538.db2.gz QJSMQESEHJTZOD-UHFFFAOYSA-N -1 3 348.197 3.405 20 30 EGEDHM O=C1c2ccc(F)cc2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475374 608881496 /nfs/dbraw/zinc/88/14/96/608881496.db2.gz DHYXEBORPBOPQJ-GHXNOFRVSA-N -1 3 338.317 3.357 20 30 EGEDHM O=C1c2ccc(F)cc2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475374 608881497 /nfs/dbraw/zinc/88/14/97/608881497.db2.gz DHYXEBORPBOPQJ-GHXNOFRVSA-N -1 3 338.317 3.357 20 30 EGEDHM CC[C@@H](C/N=C\c1c([O-])c(C)ncc1CO)Oc1ccccc1F ZINC000749008583 1299125551 /nfs/dbraw/zinc/12/55/51/1299125551.db2.gz YEKMUHLJSSBXJZ-FHOUHHFSSA-N -1 3 332.375 3.004 20 30 EGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1sc(C)nc1C ZINC000104380531 1293021729 /nfs/dbraw/zinc/02/17/29/1293021729.db2.gz QVWDEURHCUWPFS-GFCCVEGCSA-N -1 3 343.408 3.120 20 30 EGEDHM CCc1cc(N2CCC[C@@H](/N=C/c3cc(Cl)ccc3[O-])C2)ncn1 ZINC000112497329 1293128292 /nfs/dbraw/zinc/12/82/92/1293128292.db2.gz KNGSQXGICSUSLI-OVEPSTSESA-N -1 3 344.846 3.486 20 30 EGEDHM COc1ccc(C=NN[C@H](C)C(F)(F)F)c(Br)c1[O-] ZINC000834997768 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ZINC000901689697 1317464380 /nfs/dbraw/zinc/46/43/80/1317464380.db2.gz DQCMTPUYTAVRKQ-HNNXBMFYSA-N -1 3 332.425 3.328 20 30 EGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1c(F)cccc1Cl ZINC000807967251 1317605688 /nfs/dbraw/zinc/60/56/88/1317605688.db2.gz ZHSLVLXXZNLOPC-UHFFFAOYSA-N -1 3 340.807 3.323 20 30 EGEDHM Cc1nn(CC(=O)N([O-])Cc2ccccc2Cl)c(C)c1Cl ZINC000904188635 1317807186 /nfs/dbraw/zinc/80/71/86/1317807186.db2.gz HYUWYTZODKSSPS-UHFFFAOYSA-N -1 3 328.199 3.225 20 30 EGEDHM O=C(c1ccnc(N2CCCCC2)n1)N([O-])Cc1ccccc1Cl ZINC000904188345 1317807595 /nfs/dbraw/zinc/80/75/95/1317807595.db2.gz BPPLAEAQDOYTAM-UHFFFAOYSA-N -1 3 346.818 3.152 20 30 EGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccccc1Cn1cncn1 ZINC000914701330 1319366160 /nfs/dbraw/zinc/36/61/60/1319366160.db2.gz GMEQVLQWWLADPK-OCKHKDLRSA-N -1 3 326.787 3.305 20 30 EGEDHM CCCCC1N=NC(=S)N1N=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000916301786 1319635897 /nfs/dbraw/zinc/63/58/97/1319635897.db2.gz AKRARVJDRIBEET-UHFFFAOYSA-N -1 3 340.836 3.159 20 30 EGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000916907538 1319723369 /nfs/dbraw/zinc/72/33/69/1319723369.db2.gz BSLPHUIWRHKFEC-LBPRGKRZSA-N -1 3 343.726 3.209 20 30 EGEDHM CCCCCCCCC[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000917650642 1319857515 /nfs/dbraw/zinc/85/75/15/1319857515.db2.gz FWRZZYKQRAWZJQ-UHFFFAOYSA-N -1 3 335.901 3.411 20 30 EGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)c1 ZINC000820799603 1319955597 /nfs/dbraw/zinc/95/55/97/1319955597.db2.gz XQAAMHNARVYIQF-UHFFFAOYSA-N -1 3 342.207 3.255 20 30 EGEDHM C=C(C)CO[N-]C(=O)CCCOc1cccc(Br)c1 ZINC000846540647 1321791877 /nfs/dbraw/zinc/79/18/77/1321791877.db2.gz FKRWHLMEKCEZKF-UHFFFAOYSA-N -1 3 328.206 3.232 20 30 EGEDHM N#Cc1ccc(CN2CCCC[C@@H]2CNC(=O)c2ccccc2[O-])cc1 ZINC001024338012 1323325485 /nfs/dbraw/zinc/32/54/85/1323325485.db2.gz VWLCXOOTBABZMC-GOSISDBHSA-N -1 3 349.434 3.048 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(C)C)nc1 ZINC000928622258 1328378612 /nfs/dbraw/zinc/37/86/12/1328378612.db2.gz LPFMMDLBBZPCAV-UHFFFAOYSA-N -1 3 338.411 3.365 20 30 EGEDHM C=C[C@H](CC)CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066428674 1353107926 /nfs/dbraw/zinc/10/79/26/1353107926.db2.gz KDLHHMCTLZEPTJ-CVEARBPZSA-N -1 3 344.455 3.105 20 30 EGEDHM C=CCCCC(=O)N1CCC(CC)(NC(=O)c2ccccc2[O-])CC1 ZINC001069575111 1354144608 /nfs/dbraw/zinc/14/46/08/1354144608.db2.gz IMPOCOBUWXYVRG-UHFFFAOYSA-N -1 3 344.455 3.250 20 30 EGEDHM C=CC(C)(C)CC(=O)N1CCC(C)(NC(=O)c2ccccc2[O-])CC1 ZINC001073055681 1355572248 /nfs/dbraw/zinc/57/22/48/1355572248.db2.gz UZMHSKZKJBTYNM-UHFFFAOYSA-N -1 3 344.455 3.105 20 30 EGEDHM C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001082236098 1357988061 /nfs/dbraw/zinc/98/80/61/1357988061.db2.gz WRDNZUFIASFLMW-CVEARBPZSA-N -1 3 344.455 3.105 20 30 EGEDHM N#Cc1ccc(NC(=O)Nc2ncc([O-])cc2Br)cc1 ZINC001184715742 1387518600 /nfs/dbraw/zinc/51/86/00/1387518600.db2.gz AKNOWDKFRCRKPN-UHFFFAOYSA-N -1 3 333.145 3.065 20 30 EGEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189775164 1367107180 /nfs/dbraw/zinc/10/71/80/1367107180.db2.gz RRTPCTQYJBNPJA-AWEZNQCLSA-N -1 3 330.306 3.349 20 30 EGEDHM COc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1C#N ZINC001190501230 1367278278 /nfs/dbraw/zinc/27/82/78/1367278278.db2.gz YXFPFWBYFZICSZ-UHFFFAOYSA-N -1 3 328.393 3.245 20 30 EGEDHM C[C@@](C#N)([N-]S(=O)(=O)CC1CCCC1)c1ccccc1Cl ZINC001191542933 1367525423 /nfs/dbraw/zinc/52/54/23/1367525423.db2.gz OSPSBVKLJROSJR-HNNXBMFYSA-N -1 3 326.849 3.188 20 30 EGEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1Br ZINC001193150070 1367953811 /nfs/dbraw/zinc/95/38/11/1367953811.db2.gz UWWFHVKFKNUQRP-VIFPVBQESA-N -1 3 345.262 3.400 20 30 EGEDHM CC(C)c1cc(Br)ccc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193157338 1367955998 /nfs/dbraw/zinc/95/59/98/1367955998.db2.gz CGBOFWHGMYGHNE-SECBINFHSA-N -1 3 331.235 3.226 20 30 EGEDHM COc1ccnc(C(=O)N(CCC#N)Cc2ccc(Cl)cc2)c1[O-] ZINC001193529545 1368053999 /nfs/dbraw/zinc/05/39/99/1368053999.db2.gz SALHHRBGJGHWBA-UHFFFAOYSA-N -1 3 345.786 3.005 20 30 EGEDHM Cc1coc([N-]C(=O)c2ncccc2C(=O)c2ccccc2)c1C#N ZINC001193562113 1368062592 /nfs/dbraw/zinc/06/25/92/1368062592.db2.gz SQLCLSLOYXIQKR-UHFFFAOYSA-N -1 3 331.331 3.338 20 30 EGEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cccc(C)c2Cl)c1 ZINC001193689461 1368095780 /nfs/dbraw/zinc/09/57/80/1368095780.db2.gz SSKZFBWDOPKGMA-UHFFFAOYSA-N -1 3 336.800 3.330 20 30 EGEDHM CC(C)OC(=O)c1ncccc1C(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001194032796 1368171216 /nfs/dbraw/zinc/17/12/16/1368171216.db2.gz UTHBGPJLALUBNE-UHFFFAOYSA-N -1 3 345.305 3.049 20 30 EGEDHM Cc1onc(-c2ccc(O)cc2)c1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001196590990 1368644841 /nfs/dbraw/zinc/64/48/41/1368644841.db2.gz VPDUPPVCBDSCBG-UHFFFAOYSA-N -1 3 335.319 3.185 20 30 EGEDHM CC1([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)CCC(F)(F)CC1 ZINC001196711278 1368667966 /nfs/dbraw/zinc/66/79/66/1368667966.db2.gz JESSAEAPAJMCCV-UHFFFAOYSA-N -1 3 348.802 3.458 20 30 EGEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(-c2cccs2)nc1 ZINC001196785772 1368684639 /nfs/dbraw/zinc/68/46/39/1368684639.db2.gz FROCIUYBTTZQBY-UHFFFAOYSA-N -1 3 338.392 3.249 20 30 EGEDHM C#CC(CC)(CC)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201770610 1369621389 /nfs/dbraw/zinc/62/13/89/1369621389.db2.gz OIKCZMSNOPPGNI-UHFFFAOYSA-N -1 3 348.237 3.059 20 30 EGEDHM CCCC[C@H](CNc1ncccc1C#N)NC(=O)c1ccccc1[O-] ZINC001114203163 1369792690 /nfs/dbraw/zinc/79/26/90/1369792690.db2.gz YSWSHZYOCDUAFH-OAHLLOKOSA-N -1 3 338.411 3.060 20 30 EGEDHM Cc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c(C)c(C)c1O ZINC001116648302 1370951139 /nfs/dbraw/zinc/95/11/39/1370951139.db2.gz WYVHNZKHILTNMU-UHFFFAOYSA-N -1 3 330.409 3.184 20 30 EGEDHM C=CC[C@H](NCc1cc(Cl)c([O-])c(OCC)c1)C(=O)OCC ZINC001117865361 1371105237 /nfs/dbraw/zinc/10/52/37/1371105237.db2.gz BTPQUAPVWIPKNG-ZDUSSCGKSA-N -1 3 327.808 3.042 20 30 EGEDHM CCc1cc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)ccc1C#N ZINC001216314484 1373298786 /nfs/dbraw/zinc/29/87/86/1373298786.db2.gz FBMFGKOQQNDYDZ-UHFFFAOYSA-N -1 3 335.816 3.157 20 30 EGEDHM COc1cc(O[C@@H](C)CS)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227641772 1375458183 /nfs/dbraw/zinc/45/81/83/1375458183.db2.gz QKWWEDPLKBMVKY-QMMMGPOBSA-N -1 3 348.376 3.063 20 30 EGEDHM C=CCOc1ccccc1[C@@H](C)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227819731 1375479850 /nfs/dbraw/zinc/47/98/50/1375479850.db2.gz GXYGKGJITHOFRC-GFCCVEGCSA-N -1 3 329.352 3.279 20 30 EGEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1ncc(Br)cc1[O-] ZINC001228957942 1375725544 /nfs/dbraw/zinc/72/55/44/1375725544.db2.gz YYHCFJKBXPTGTA-JTQLQIEISA-N -1 3 344.205 3.215 20 30 EGEDHM C=C[C@@H](Oc1cc(C(=O)c2ccc(C)cc2)ccc1[O-])C(=O)OC ZINC001229538571 1375852517 /nfs/dbraw/zinc/85/25/17/1375852517.db2.gz QVOUSFCJLHCLDD-MRXNPFEDSA-N -1 3 326.348 3.038 20 30 EGEDHM N#Cc1ccc([O-])c(CN2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC001232673222 1376499064 /nfs/dbraw/zinc/49/90/64/1376499064.db2.gz CTIZBEROVQDENP-QPJJXVBHSA-N -1 3 333.435 3.095 20 30 EGEDHM N#Cc1ccc([O-])c(CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1 ZINC001232673141 1376499543 /nfs/dbraw/zinc/49/95/43/1376499543.db2.gz ATMBTHTXBJLURK-UHFFFAOYSA-N -1 3 338.382 3.498 20 30 EGEDHM CC(C)(C)OC(=O)N1CCCC[C@@H](Oc2cc([O-])cc(C#N)c2)C1 ZINC001234141953 1376777262 /nfs/dbraw/zinc/77/72/62/1376777262.db2.gz RRTWKRTUWHKHHX-OAHLLOKOSA-N -1 3 332.400 3.432 20 30 EGEDHM O=C(C#Cc1ccccc1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142862782 1378497629 /nfs/dbraw/zinc/49/76/29/1378497629.db2.gz SNNUFBOTCUOAHA-UHFFFAOYSA-N -1 3 336.778 3.262 20 30 EGEDHM CN(C)[C@H](C(=O)Nc1ccc([O-])c(C#N)c1)c1ccccc1Cl ZINC001143615081 1378625501 /nfs/dbraw/zinc/62/55/01/1378625501.db2.gz AIQQXARQLSQXEE-INIZCTEOSA-N -1 3 329.787 3.159 20 30 EGEDHM N#Cc1cc(NC(=O)c2cn3cc(C(F)(F)F)ccc3n2)ccc1[O-] ZINC001151171954 1379672347 /nfs/dbraw/zinc/67/23/47/1379672347.db2.gz ZTSPGXFVPUTMIL-UHFFFAOYSA-N -1 3 346.268 3.183 20 30 EGEDHM Nc1cc(Cl)ncc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155913970 1380505202 /nfs/dbraw/zinc/50/52/02/1380505202.db2.gz DYYVHZPTNAUTDK-UHFFFAOYSA-N -1 3 346.696 3.464 20 30 EGEDHM Cc1ncc(Nc2c(C#N)c(Cl)nc3cccc(Cl)c32)c(=O)[n-]1 ZINC001162305559 1382726690 /nfs/dbraw/zinc/72/66/90/1382726690.db2.gz HZCZKUANDBFWPK-NSHDSACASA-N -1 3 346.177 3.223 20 30 EGEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc2c(ccc3ccccc32)nc1Cl ZINC001171365323 1384502954 /nfs/dbraw/zinc/50/29/54/1384502954.db2.gz SZWXSFCLRAPUFQ-ZANVPECISA-N -1 3 342.786 3.084 20 30 EGEDHM COC(=O)c1cc([O-])c(F)cc1NC(=O)CC1(C#N)CCCCC1 ZINC001181362419 1386981350 /nfs/dbraw/zinc/98/13/50/1386981350.db2.gz HFWABXAWLGVRLD-UHFFFAOYSA-N -1 3 334.347 3.121 20 30 EGEDHM COc1cc([N-]C(=O)c2cc(COC(C)(C)C)on2)c(F)cc1C#N ZINC001331461199 1389757505 /nfs/dbraw/zinc/75/75/05/1389757505.db2.gz GXICKHJZASVSRN-UHFFFAOYSA-N -1 3 347.346 3.261 20 30 EGEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)nn2)cc1 ZINC001342717582 1390645072 /nfs/dbraw/zinc/64/50/72/1390645072.db2.gz MNXUHBYESOICBC-MRXNPFEDSA-N -1 3 336.395 3.089 20 30 EGEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001343731172 1390733667 /nfs/dbraw/zinc/73/36/67/1390733667.db2.gz FPJRPIYEIXLWII-UHFFFAOYSA-N -1 3 343.431 3.397 20 30 EGEDHM N#CC(=C([O-])c1cn2c(n1)CCCC2)c1nc2c(cccc2Cl)[nH]1 ZINC001349760419 1391363532 /nfs/dbraw/zinc/36/35/32/1391363532.db2.gz OAOWKSNZWNYATH-JTQLQIEISA-N -1 3 339.786 3.239 20 30 EGEDHM C=C(C)Cc1cccc(-c2nnc(N3CCSCC3)n2CC)c1[O-] ZINC001352924765 1391882798 /nfs/dbraw/zinc/88/27/98/1391882798.db2.gz FDJPWPJGKWPSJD-UHFFFAOYSA-N -1 3 344.484 3.342 20 30 EGEDHM CCCN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccc(C#N)cc1 ZINC000825322321 1424994059 /nfs/dbraw/zinc/99/40/59/1424994059.db2.gz ANADZZCFLDEIIL-UHFFFAOYSA-N -1 3 338.440 3.212 20 30 EGEDHM CCCN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(C#N)cc1 ZINC000825322321 1424994063 /nfs/dbraw/zinc/99/40/63/1424994063.db2.gz ANADZZCFLDEIIL-UHFFFAOYSA-N -1 3 338.440 3.212 20 30 EGEDHM C#C[C@@H](NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(Cl)cc1 ZINC001573281258 946674714 /nfs/dbraw/zinc/67/47/14/946674714.db2.gz WTXYZVNUHLTZAA-MRXNPFEDSA-N -1 3 341.777 3.123 20 30 EGEDHM C#C[C@@H](NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(Cl)cc1 ZINC001573281258 946674721 /nfs/dbraw/zinc/67/47/21/946674721.db2.gz WTXYZVNUHLTZAA-MRXNPFEDSA-N -1 3 341.777 3.123 20 30 EGEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CCc2ccc(F)cc21 ZINC000826475880 948377011 /nfs/dbraw/zinc/37/70/11/948377011.db2.gz UXAYPKHCYHIERJ-YFHOEESVSA-N -1 3 326.356 3.280 20 30 EGEDHM C[C@H](CC#N)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001574470522 949506530 /nfs/dbraw/zinc/50/65/30/949506530.db2.gz DGWWNPCKOOBIEB-GFCCVEGCSA-N -1 3 348.366 3.147 20 30 EGEDHM C[C@H](CC#N)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001574470522 949506548 /nfs/dbraw/zinc/50/65/48/949506548.db2.gz DGWWNPCKOOBIEB-GFCCVEGCSA-N -1 3 348.366 3.147 20 30 EGEDHM CC(C)(C)CN(CC(=O)[O-])Cc1ccc(C#N)cc1Br ZINC001602867248 971727735 /nfs/dbraw/zinc/72/77/35/971727735.db2.gz AIPLUHFHKPKKKX-UHFFFAOYSA-N -1 3 339.233 3.253 20 30 EGEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)cc1OC ZINC000904262919 956950776 /nfs/dbraw/zinc/95/07/76/956950776.db2.gz MWALKQNYSAHUSI-LJQANCHMSA-N -1 3 341.407 3.484 20 30 EGEDHM C[C@H](CC(C)(C)C#N)N[C@H](C(=O)[O-])c1ccccc1Br ZINC001592440353 978096625 /nfs/dbraw/zinc/09/66/25/978096625.db2.gz YMCARCZQIUCZQY-MFKMUULPSA-N -1 3 339.233 3.493 20 30 EGEDHM C#C[C@H](N[C@@H]1C[C@@H]2C[C@@H](C(=O)[O-])C[C@H]12)c1ccc(Br)cc1 ZINC001588375998 983348618 /nfs/dbraw/zinc/34/86/18/983348618.db2.gz AMTVXYVGGPPHSW-PTNZTPPNSA-N -1 3 348.240 3.212 20 30 EGEDHM C#CC[C@H](NCc1cc(Cl)c(OC(C)C)cc1Cl)C(=O)[O-] ZINC001588421577 983441656 /nfs/dbraw/zinc/44/16/56/983441656.db2.gz AICZUUSSMJQHRP-ZDUSSCGKSA-N -1 3 330.211 3.347 20 30 EGEDHM COc1cccc([C@H](NC2CC(C#N)(c3ccccc3)C2)C(=O)[O-])c1 ZINC001599686164 990991595 /nfs/dbraw/zinc/99/15/95/990991595.db2.gz FBFHBPFZCWMHNC-IPCDKGFNSA-N -1 3 336.391 3.034 20 30 EGEDHM C[C@H](NCCSCc1ccccc1C#N)c1cc(C(=O)[O-])co1 ZINC001593271695 994605803 /nfs/dbraw/zinc/60/58/03/994605803.db2.gz LGKYWESVIFWTAL-LBPRGKRZSA-N -1 3 330.409 3.433 20 30 EGEDHM CC1(C)CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC2(CCCC2)O1 ZINC001593940549 996950356 /nfs/dbraw/zinc/95/03/56/996950356.db2.gz NRKSMWLZVDGRET-MRXNPFEDSA-N -1 3 328.412 3.108 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000253559519 244024704 /nfs/dbraw/zinc/02/47/04/244024704.db2.gz LNIXSXPFGFCLHF-SLEUVZQESA-N -1 3 329.444 3.149 20 30 EGEDHM CCC[C@H]1[C@H](C)CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000081176460 217367734 /nfs/dbraw/zinc/36/77/34/217367734.db2.gz IOBJSTZAIXQFBQ-ACJLOTCBSA-N -1 3 343.471 3.223 20 30 EGEDHM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000336860900 154219155 /nfs/dbraw/zinc/21/91/55/154219155.db2.gz VZUOBWGMISILLH-LLVKDONJSA-N -1 3 338.816 3.104 20 30 EGEDHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114061534 162221579 /nfs/dbraw/zinc/22/15/79/162221579.db2.gz QQWJFWPXUQPXGF-UHFFFAOYSA-N -1 3 336.800 3.330 20 30 EGEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)o1)c1cccc(Cl)c1F ZINC000344672758 164200168 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ZINC000821786961 606166362 /nfs/dbraw/zinc/16/63/62/606166362.db2.gz MHEXFLFKQYZEBO-UHFFFAOYSA-N -1 3 346.753 3.114 20 30 EGEDHM CCC(CC)CN(CCC#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820892613 606631620 /nfs/dbraw/zinc/63/16/20/606631620.db2.gz CVXUYIFZDKWIEW-UHFFFAOYSA-N -1 3 341.419 3.050 20 30 EGEDHM CCC(CC)CN(CCC#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820892613 606631623 /nfs/dbraw/zinc/63/16/23/606631623.db2.gz CVXUYIFZDKWIEW-UHFFFAOYSA-N -1 3 341.419 3.050 20 30 EGEDHM COc1ccc(CSCc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000826208011 607984555 /nfs/dbraw/zinc/98/45/55/607984555.db2.gz OUCKLKYJIQVZLB-UHFFFAOYSA-N -1 3 337.408 3.180 20 30 EGEDHM COc1ccc(CSCc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000826208011 607984556 /nfs/dbraw/zinc/98/45/56/607984556.db2.gz OUCKLKYJIQVZLB-UHFFFAOYSA-N -1 3 337.408 3.180 20 30 EGEDHM C=C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883031 607985946 /nfs/dbraw/zinc/98/59/46/607985946.db2.gz IXCBGESPVPZZRH-LSDHHAIUSA-N -1 3 347.422 3.404 20 30 EGEDHM C=C[C@H](CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883031 607985947 /nfs/dbraw/zinc/98/59/47/607985947.db2.gz IXCBGESPVPZZRH-LSDHHAIUSA-N -1 3 347.422 3.404 20 30 EGEDHM Cc1ccc(F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826289353 608109520 /nfs/dbraw/zinc/10/95/20/608109520.db2.gz WUMZYYSJGMFVRD-ALCCZGGFSA-N -1 3 326.306 3.349 20 30 EGEDHM Cc1ccc(F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826289353 608109521 /nfs/dbraw/zinc/10/95/21/608109521.db2.gz WUMZYYSJGMFVRD-ALCCZGGFSA-N -1 3 326.306 3.349 20 30 EGEDHM C=CCN(Cc1sccc1OC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823915535 608633129 /nfs/dbraw/zinc/63/31/29/608633129.db2.gz ZNRHKCODPJEVNM-UHFFFAOYSA-N -1 3 341.440 3.125 20 30 EGEDHM CC(=Cc1ccc(C)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000823943197 609463943 /nfs/dbraw/zinc/46/39/43/609463943.db2.gz PCGKGHDWKRCJLD-UKTHLTGXSA-N -1 3 344.378 3.089 20 30 EGEDHM CC(=Cc1ccc(C)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000823943197 609463944 /nfs/dbraw/zinc/46/39/44/609463944.db2.gz 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COc1cc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)c(OC)cc1[O-] ZINC000255904176 1296578283 /nfs/dbraw/zinc/57/82/83/1296578283.db2.gz MLDAGZSAIVQILK-SREVYHEPSA-N -1 3 329.308 3.214 20 30 EGEDHM N#C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)C1CCCCC1 ZINC000748720386 1299065457 /nfs/dbraw/zinc/06/54/57/1299065457.db2.gz ZKVCGPGJMXXZOQ-OAHLLOKOSA-N -1 3 336.338 3.059 20 30 EGEDHM CCOc1cc(CN=Nc2ccc(C(=O)OC)cn2)cc(Cl)c1[O-] ZINC000758127488 1300791911 /nfs/dbraw/zinc/79/19/11/1300791911.db2.gz VFYLKGGZFXLZPH-UHFFFAOYSA-N -1 3 349.774 3.072 20 30 EGEDHM COc1ccccc1C1(C/N=C\c2c([O-])c(C)ncc2CO)CCC1 ZINC000758816480 1300959595 /nfs/dbraw/zinc/95/95/95/1300959595.db2.gz RXNBUOOZEIXUHE-NHDPSOOVSA-N -1 3 340.423 3.137 20 30 EGEDHM Cc1ccc(-c2cc(C(=O)OCc3cc(F)ccc3C#N)n[n-]2)o1 ZINC000759355080 1301071460 /nfs/dbraw/zinc/07/14/60/1301071460.db2.gz WQPHQSCEFFAEIP-UHFFFAOYSA-N -1 3 325.299 3.346 20 30 EGEDHM Cc1ccc(-c2cc(C(=O)OCc3cc(F)ccc3C#N)[n-]n2)o1 ZINC000759355080 1301071471 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CN1CCN(c2ccc(C=CC(=O)c3sccc3[O-])cc2)CC1 ZINC000773144251 1303633420 /nfs/dbraw/zinc/63/34/20/1303633420.db2.gz ZSQNBVZODGJAIV-DAXSKMNVSA-N -1 3 328.437 3.102 20 30 EGEDHM Cc1cccc(OCCC/N=C\c2c([O-])c(C)ncc2CO)c1C ZINC000775742995 1304026603 /nfs/dbraw/zinc/02/66/03/1304026603.db2.gz ZLJSDHRIXGKUOW-JAIQZWGSSA-N -1 3 328.412 3.093 20 30 EGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(C2CC2)c1 ZINC000783352872 1305082909 /nfs/dbraw/zinc/08/29/09/1305082909.db2.gz LJVMNJPDEJCFQT-OAHLLOKOSA-N -1 3 349.390 3.319 20 30 EGEDHM COC[C@H](C#N)OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000785354586 1305339362 /nfs/dbraw/zinc/33/93/62/1305339362.db2.gz KYTVGMUSAHEBMH-ZDUSSCGKSA-N -1 3 331.755 3.408 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ncccc1F ZINC000791804880 1309068520 /nfs/dbraw/zinc/06/85/20/1309068520.db2.gz WJQQVYKKSCRYPT-GFCCVEGCSA-N -1 3 343.358 3.047 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2cccnc2c1 ZINC000791861935 1309080519 /nfs/dbraw/zinc/08/05/19/1309080519.db2.gz JMOZZVYFVMMYSX-UHFFFAOYSA-N -1 3 347.374 3.362 20 30 EGEDHM O=C1Nc2cc([O-])ccc2C1=NNCc1c(Cl)cccc1Cl ZINC000793114676 1309298202 /nfs/dbraw/zinc/29/82/02/1309298202.db2.gz MNUCLNJPVZWREQ-UHFFFAOYSA-N -1 3 336.178 3.145 20 30 EGEDHM [O-]c1ccc(F)c(C=NN2C(=S)N=NC2c2cccs2)c1F ZINC000794471314 1309533730 /nfs/dbraw/zinc/53/37/30/1309533730.db2.gz PXGQSJFFZJOYSB-UHFFFAOYSA-N -1 3 338.364 3.161 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000794833805 1309605083 /nfs/dbraw/zinc/60/50/83/1309605083.db2.gz QBDGNLWUFRFZMV-BUUBIHDWSA-N -1 3 328.387 3.482 20 30 EGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc(N2CCOCC2)cc1 ZINC000794932489 1309624058 /nfs/dbraw/zinc/62/40/58/1309624058.db2.gz WNFKZINHOQTLHF-ALCCZGGFSA-N -1 3 345.345 3.403 20 30 EGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc2c(c1)CCC(=O)N2 ZINC000794938322 1309625127 /nfs/dbraw/zinc/62/51/27/1309625127.db2.gz OGSFOMMGHJNHCY-UTCJRWHESA-N -1 3 329.302 3.451 20 30 EGEDHM C=C[C@@H](C)O[N-]C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000857298349 1328527045 /nfs/dbraw/zinc/52/70/45/1328527045.db2.gz VIVCNPUTXYYSGZ-KGLIPLIRSA-N -1 3 326.437 3.036 20 30 EGEDHM CCCCCS(=O)(=O)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370412 1317411290 /nfs/dbraw/zinc/41/12/90/1317411290.db2.gz YVSKCESGIFTEQB-UHFFFAOYSA-N -1 3 349.452 3.163 20 30 EGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccnc(C(F)(F)F)c1 ZINC000808979221 1317756061 /nfs/dbraw/zinc/75/60/61/1317756061.db2.gz GFPFKBPGVSZKGL-GFCCVEGCSA-N -1 3 333.269 3.062 20 30 EGEDHM COc1ccc2c(c1)OC[C@H]2CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174206 1317803735 /nfs/dbraw/zinc/80/37/35/1317803735.db2.gz WSZNIFKOIOHMCX-CYBMUJFWSA-N -1 3 331.343 3.118 20 30 EGEDHM CC[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)N1CCCC1=O ZINC000904182352 1317806141 /nfs/dbraw/zinc/80/61/41/1317806141.db2.gz BAJDMWPNKQGHFG-CYBMUJFWSA-N -1 3 345.226 3.112 20 30 EGEDHM Cc1cc(=O)cc(C)n1CCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904193022 1317808280 /nfs/dbraw/zinc/80/82/80/1317808280.db2.gz JFOASLWCOUXEAL-UHFFFAOYSA-N -1 3 348.830 3.317 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C=CCSCC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000337237957 456339240 /nfs/dbraw/zinc/33/92/40/456339240.db2.gz DECWRPSOJFBPNY-UHFFFAOYSA-N -1 3 340.495 3.008 20 30 EGEDHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000016122716 323212821 /nfs/dbraw/zinc/21/28/21/323212821.db2.gz YCMAGWRJPGDFDE-UHFFFAOYSA-N -1 3 341.436 3.268 20 30 EGEDHM Cc1cccc([O-])c1NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000183073663 455223094 /nfs/dbraw/zinc/22/30/94/455223094.db2.gz NECVWDSPHWOJCR-UHFFFAOYSA-N -1 3 337.379 3.320 20 30 EGEDHM N#CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000493657313 458526292 /nfs/dbraw/zinc/52/62/92/458526292.db2.gz MOVMUIIZBQKWIN-UHFFFAOYSA-N -1 3 342.848 3.101 20 30 EGEDHM N#C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(Cl)c1Cl ZINC000158001979 455258418 /nfs/dbraw/zinc/25/84/18/455258418.db2.gz JNRYTYKTJJAWFN-LBPRGKRZSA-N -1 3 337.162 3.399 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000012600239 453381899 /nfs/dbraw/zinc/38/18/99/453381899.db2.gz BTXKLTNFPVFURK-HNNXBMFYSA-N -1 3 337.423 3.016 20 30 EGEDHM CCCOc1ccc(/C=N/c2cccc(CS(C)(=O)=O)c2)c([O-])c1 ZINC000119664921 454211787 /nfs/dbraw/zinc/21/17/87/454211787.db2.gz IHHMPOKDYDNPTN-XDHOZWIPSA-N -1 3 347.436 3.476 20 30 EGEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(-n3ccnn3)cc2)n1 ZINC000089980062 454252158 /nfs/dbraw/zinc/25/21/58/454252158.db2.gz KBOWTBHVCNBONP-AWEZNQCLSA-N -1 3 337.408 3.337 20 30 EGEDHM N#Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000078490916 454262768 /nfs/dbraw/zinc/26/27/68/454262768.db2.gz MVEFXTXNNFENJW-UHFFFAOYSA-N -1 3 336.269 3.300 20 30 EGEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)Nc1ccc(F)c(C#N)c1)c2=O ZINC000132226456 454322784 /nfs/dbraw/zinc/32/27/84/454322784.db2.gz SGRRUTPOHHMSPO-UHFFFAOYSA-N -1 3 339.301 3.239 20 30 EGEDHM Cc1cc(F)cc2c([O-])c(C(=O)Nc3ccc(F)c(C#N)c3)cnc12 ZINC000132226456 454322788 /nfs/dbraw/zinc/32/27/88/454322788.db2.gz SGRRUTPOHHMSPO-UHFFFAOYSA-N -1 3 339.301 3.239 20 30 EGEDHM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1ccc(C(F)(F)F)cn1 ZINC000047371494 454364382 /nfs/dbraw/zinc/36/43/82/454364382.db2.gz BJAONPFOWFBYIO-GFCCVEGCSA-N -1 3 348.284 3.081 20 30 EGEDHM Cc1nn(Cc2ccccc2)c(C)c1C([O-])=C(C#N)c1ccccn1 ZINC000049456920 454549614 /nfs/dbraw/zinc/54/96/14/454549614.db2.gz DGPRJOOJRZHWHC-QGZVFWFLSA-N -1 3 330.391 3.433 20 30 EGEDHM N#Cc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000153775723 454831229 /nfs/dbraw/zinc/83/12/29/454831229.db2.gz FQXGEBKAIWSKFC-UHFFFAOYSA-N -1 3 346.184 3.348 20 30 EGEDHM C=CC1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000126319083 454885084 /nfs/dbraw/zinc/88/50/84/454885084.db2.gz XSFSMTQXUZMOFE-UHFFFAOYSA-N -1 3 339.233 3.262 20 30 EGEDHM COC(=O)c1csc([N-]C(=O)c2c(F)cc(C#N)cc2F)c1C ZINC000180091463 455131141 /nfs/dbraw/zinc/13/11/41/455131141.db2.gz IMRJACCROUKMFG-UHFFFAOYSA-N -1 3 336.319 3.245 20 30 EGEDHM COCCCN1Cc2cccc(/N=C/c3cccc([O-])c3O)c2C1 ZINC000263949030 455170574 /nfs/dbraw/zinc/17/05/74/455170574.db2.gz GELRQSHXAOHWKY-RGVLZGJSSA-N -1 3 326.396 3.201 20 30 EGEDHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)NCC(F)(F)F ZINC000181398285 455329104 /nfs/dbraw/zinc/32/91/04/455329104.db2.gz MPJJEBVYUILSEF-MRVPVSSYSA-N -1 3 336.182 3.430 20 30 EGEDHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000265631892 455352168 /nfs/dbraw/zinc/35/21/68/455352168.db2.gz SXPCYYNEYGAQFH-PPQRNQBWSA-N -1 3 348.830 3.436 20 30 EGEDHM N#C[C@H](NC(=O)/C=C/c1cncc([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000181997991 455413436 /nfs/dbraw/zinc/41/34/36/455413436.db2.gz DGSKFZCGCUKSPD-AWXVTKJVSA-N -1 3 348.189 3.488 20 30 EGEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(OC)c1 ZINC000190953815 455413911 /nfs/dbraw/zinc/41/39/11/455413911.db2.gz ZPYRRPQOBDYZLC-CQSZACIVSA-N -1 3 333.347 3.137 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2cccc(N3CCCC3)c2)c1[O-] ZINC000267933811 455566294 /nfs/dbraw/zinc/56/62/94/455566294.db2.gz PYIKOWIOOFHODU-OFJBCHTGSA-N -1 3 339.439 3.368 20 30 EGEDHM CCCCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000192505101 455633544 /nfs/dbraw/zinc/63/35/44/455633544.db2.gz FJFHIRHCMVXVJF-INIZCTEOSA-N -1 3 342.420 3.145 20 30 EGEDHM CC(C)(C#N)CCCC[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000277936358 455713957 /nfs/dbraw/zinc/71/39/57/455713957.db2.gz QCJFVNKIECMCFH-HSZRJFAPSA-N -1 3 349.378 3.170 20 30 EGEDHM CCOC(=O)Nc1ccc(NC([O-])=NOC2CCCC2)cc1C#N ZINC000271880115 455797445 /nfs/dbraw/zinc/79/74/45/455797445.db2.gz YZUHNNYDBFCPHS-UHFFFAOYSA-N -1 3 332.360 3.122 20 30 EGEDHM CCOC(=O)Nc1ccc(NC(=O)[N-]OC2CCCC2)cc1C#N ZINC000271880115 455797451 /nfs/dbraw/zinc/79/74/51/455797451.db2.gz YZUHNNYDBFCPHS-UHFFFAOYSA-N -1 3 332.360 3.122 20 30 EGEDHM CC(C)(C)OC(=O)NCc1cc(C([O-])=C(C#N)c2ccccn2)co1 ZINC000187242231 455885323 /nfs/dbraw/zinc/88/53/23/455885323.db2.gz PDPYKLKEADCFAQ-CQSZACIVSA-N -1 3 341.367 3.189 20 30 EGEDHM COc1ccc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)c(C)c1OC ZINC000287189143 456063904 /nfs/dbraw/zinc/06/39/04/456063904.db2.gz KVOJYOIXQPJNAY-PITUFAOZSA-N -1 3 344.411 3.094 20 30 EGEDHM C=C[C@](C)(CCOC)C(=O)Nc1cc(Br)ccc1[O-] ZINC000188644124 456103027 /nfs/dbraw/zinc/10/30/27/456103027.db2.gz CKPKBJOFAQKZDV-CQSZACIVSA-N -1 3 328.206 3.322 20 30 EGEDHM C=CCSCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188736663 456123875 /nfs/dbraw/zinc/12/38/75/456123875.db2.gz VDXWCVRHECZCGA-UHFFFAOYSA-N -1 3 327.862 3.441 20 30 EGEDHM C=CC[C@@H](CC)NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000281348092 456209068 /nfs/dbraw/zinc/20/90/68/456209068.db2.gz MKMFFHIJJOVQOI-OAHLLOKOSA-N -1 3 345.443 3.107 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273239983 456221266 /nfs/dbraw/zinc/22/12/66/456221266.db2.gz TXKSHJFQFCCTAI-VQYXIZGJSA-N -1 3 344.386 3.066 20 30 EGEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000274720532 456264543 /nfs/dbraw/zinc/26/45/43/456264543.db2.gz FBLBNQAWCXEERW-KRWDZBQOSA-N -1 3 334.441 3.058 20 30 EGEDHM N#CCc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000340226810 456325347 /nfs/dbraw/zinc/32/53/47/456325347.db2.gz AVRVANHLLOLMFJ-UHFFFAOYSA-N -1 3 345.196 3.151 20 30 EGEDHM C#CCn1ccc(CN(CC)Cc2cc(Cl)c([O-])c(OCC)c2)n1 ZINC000298101393 456364513 /nfs/dbraw/zinc/36/45/13/456364513.db2.gz NLGXNOUACONDLX-UHFFFAOYSA-N -1 3 347.846 3.296 20 30 EGEDHM COCCN(C)c1ccc(/C=C/C(=O)c2ccc([O-])c(C)c2)cn1 ZINC000276659073 456543589 /nfs/dbraw/zinc/54/35/89/456543589.db2.gz QEJFAMMRGHBXDF-QPJJXVBHSA-N -1 3 326.396 3.074 20 30 EGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000353193371 456550509 /nfs/dbraw/zinc/55/05/09/456550509.db2.gz ZZKCJJMRMYHJHD-LLVKDONJSA-N -1 3 332.347 3.210 20 30 EGEDHM C=CCOc1cccc(CN[C@@]2(C(=O)[O-])CCOc3ccccc32)c1 ZINC000340685761 456623739 /nfs/dbraw/zinc/62/37/39/456623739.db2.gz ALXOLGFYVKHUEF-FQEVSTJZSA-N -1 3 339.391 3.104 20 30 EGEDHM C=CCc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)cc(OC)c1O ZINC000276963134 456633517 /nfs/dbraw/zinc/63/35/17/456633517.db2.gz GAJRBFPULQBPKO-OAHLLOKOSA-N -1 3 347.436 3.496 20 30 EGEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccn2C(C)C)n1 ZINC000343913230 456782008 /nfs/dbraw/zinc/78/20/08/456782008.db2.gz FRVOFEFNFVNCKU-LLVKDONJSA-N -1 3 331.397 3.192 20 30 EGEDHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCOCC3)cc2)cc(=O)[n-]1 ZINC000329285351 456866777 /nfs/dbraw/zinc/86/67/77/456866777.db2.gz OVYDIBROEYMFPM-AWEZNQCLSA-N -1 3 342.399 3.053 20 30 EGEDHM C=CCCC1(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CC1 ZINC000353827706 456926182 /nfs/dbraw/zinc/92/61/82/456926182.db2.gz PFWZZNCKWDLLBI-UHFFFAOYSA-N -1 3 342.439 3.316 20 30 EGEDHM COc1c(C)cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1C ZINC000358841020 456998446 /nfs/dbraw/zinc/99/84/46/456998446.db2.gz JJLZZXZULXYKAI-AWEZNQCLSA-N -1 3 334.379 3.382 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)nn1C(F)F ZINC000342185086 457155521 /nfs/dbraw/zinc/15/55/21/457155521.db2.gz ZMRGKZKEMPYILY-JTQLQIEISA-N -1 3 329.310 3.261 20 30 EGEDHM N#CC(=C([O-])c1cccc(NC(=O)C2CCCCC2)c1)c1ccncn1 ZINC000354472086 457244463 /nfs/dbraw/zinc/24/44/63/457244463.db2.gz UOVIRVYLKDXILD-QGZVFWFLSA-N -1 3 348.406 3.485 20 30 EGEDHM O=C(CCOCC(F)(F)C(F)(F)F)[N-][C@@H](C1CC1)C(F)(F)F ZINC000360825299 457371488 /nfs/dbraw/zinc/37/14/88/457371488.db2.gz NEIPNERQRLAFHE-QMMMGPOBSA-N -1 3 343.214 3.048 20 30 EGEDHM Cn1cnc2cc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)ccc21 ZINC000362132773 458033320 /nfs/dbraw/zinc/03/33/20/458033320.db2.gz CWAYLYMBTRXKFJ-LBPRGKRZSA-N -1 3 344.296 3.477 20 30 EGEDHM C=CCCCS(=O)(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000427792486 458036431 /nfs/dbraw/zinc/03/64/31/458036431.db2.gz JFFPZZIQIAAXEX-ZDUSSCGKSA-N -1 3 332.347 3.156 20 30 EGEDHM Cc1ccsc1CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000358585863 458091878 /nfs/dbraw/zinc/09/18/78/458091878.db2.gz HMTJQZKMJPANBI-UHFFFAOYSA-N -1 3 340.857 3.103 20 30 EGEDHM C=C(C)[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccc(F)c(F)c1 ZINC000358662142 458137278 /nfs/dbraw/zinc/13/72/78/458137278.db2.gz NONQJHGNOQEFNI-QGZVFWFLSA-N -1 3 347.365 3.053 20 30 EGEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Sc1ccccc1 ZINC000435447821 458149863 /nfs/dbraw/zinc/14/98/63/458149863.db2.gz RKYHOYMAKDBAAS-NSHDSACASA-N -1 3 338.479 3.079 20 30 EGEDHM C=CC[C@@H]1N(C(=O)c2c[n-]c3ccncc3c2=O)CCCC1(C)C ZINC000412299200 458159136 /nfs/dbraw/zinc/15/91/36/458159136.db2.gz ZWDZCRVTXFCVAN-INIZCTEOSA-N -1 3 325.412 3.130 20 30 EGEDHM CC[C@@](C)(C#N)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000376065508 458183445 /nfs/dbraw/zinc/18/34/45/458183445.db2.gz HCABRFQTFMTTIE-QAPCUYQASA-N -1 3 349.862 3.066 20 30 EGEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C)c(C)c1[O-] ZINC000436636318 458348949 /nfs/dbraw/zinc/34/89/49/458348949.db2.gz QSUIIAMKGCXDQH-UHFFFAOYSA-N -1 3 329.396 3.313 20 30 EGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cc2ccccn2)ccc1C ZINC000416955402 458357961 /nfs/dbraw/zinc/35/79/61/458357961.db2.gz JDMKUSPYXZZJKG-INIZCTEOSA-N -1 3 329.425 3.025 20 30 EGEDHM C=CCOc1ccc(CN[C@@H](COC(C)(C)C)C(=O)[O-])cc1Cl ZINC000417586869 458365675 /nfs/dbraw/zinc/36/56/75/458365675.db2.gz BBLDQKFVKVHBBQ-AWEZNQCLSA-N -1 3 341.835 3.263 20 30 EGEDHM C=CCC1(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)CCCC1 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346.839 3.047 20 30 EGEDHM Cc1ccc([O-])c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 ZINC000506523766 458751089 /nfs/dbraw/zinc/75/10/89/458751089.db2.gz HHDZVSOADFOEDQ-AWEZNQCLSA-N -1 3 345.196 3.458 20 30 EGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCc2cccc(Cl)c2)C1 ZINC000508191292 458758044 /nfs/dbraw/zinc/75/80/44/458758044.db2.gz NZLKAPOEAONLPC-CJNGLKHVSA-N -1 3 340.876 3.274 20 30 EGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594719607 459139758 /nfs/dbraw/zinc/13/97/58/459139758.db2.gz DGKDVBPTBIBQEH-GFCCVEGCSA-N -1 3 333.438 3.052 20 30 EGEDHM C=CCC1(C(=O)N=c2[n-]n(C)cc2Br)CCCCC1 ZINC000568765912 459343081 /nfs/dbraw/zinc/34/30/81/459343081.db2.gz DOOVVFAOWMHDFT-UHFFFAOYSA-N -1 3 326.238 3.070 20 30 EGEDHM C#C[C@H](C)N(C)Cn1[n-]c(-c2cc(Cl)ccc2OC)nc1=S ZINC000491690306 459654802 /nfs/dbraw/zinc/65/48/02/459654802.db2.gz AXFQVOZOHFDCCO-JTQLQIEISA-N -1 3 336.848 3.181 20 30 EGEDHM C#C[C@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(C)(C)C ZINC000491731843 459662409 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CC(C)c1ccc(C2(C(=O)N[C@H]3CCCN([O-])C3=O)CCCC2)cc1 ZINC000848139006 1321934841 /nfs/dbraw/zinc/93/48/41/1321934841.db2.gz QWIZYOKOUITGAH-KRWDZBQOSA-N -1 3 344.455 3.118 20 30 EGEDHM CN(Cc1ccccc1C#N)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001027308309 1325456269 /nfs/dbraw/zinc/45/62/69/1325456269.db2.gz JDKWJCQCEAUSOB-SFHVURJKSA-N -1 3 349.434 3.000 20 30 EGEDHM C#CCn1ccc(CN(CC)Cc2c([O-])cccc2Br)n1 ZINC000862351646 1329477021 /nfs/dbraw/zinc/47/70/21/1329477021.db2.gz OQTSQTQZJANDEH-UHFFFAOYSA-N -1 3 348.244 3.007 20 30 EGEDHM N#Cc1c(F)cccc1N[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001057594144 1350085217 /nfs/dbraw/zinc/08/52/17/1350085217.db2.gz ORWWMGVUJCFUOV-CYBMUJFWSA-N -1 3 339.370 3.120 20 30 EGEDHM C[C@@H]1[C@@H](Nc2cccc(F)c2C#N)CCN1C(=O)c1ccccc1[O-] ZINC001068760050 1353773608 /nfs/dbraw/zinc/77/36/08/1353773608.db2.gz MBEZSKFHHREHSJ-WBMJQRKESA-N -1 3 339.370 3.118 20 30 EGEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc3sccc3c2)c1 ZINC001190664099 1367322658 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C[C@@H](CCCNc1cccc(F)c1C#N)NC(=O)c1ccccc1[O-] ZINC001114841792 1370109479 /nfs/dbraw/zinc/10/94/79/1370109479.db2.gz CFELWVYFYMQGOR-ZDUSSCGKSA-N -1 3 341.386 3.414 20 30 EGEDHM N#Cc1nc(Cl)c(Nc2ccc([O-])c(C(F)(F)F)c2)nc1C#N ZINC001209983890 1372247882 /nfs/dbraw/zinc/24/78/82/1372247882.db2.gz ABTCCIAOIWISCG-UHFFFAOYSA-N -1 3 339.664 3.341 20 30 EGEDHM CCCCCCCCS(=O)(=O)[N-][C@@H]1C(=O)Nc2cccc(C)c21 ZINC001188021093 1388217503 /nfs/dbraw/zinc/21/75/03/1388217503.db2.gz KSUIYMZCDSHXCR-INIZCTEOSA-N -1 3 338.473 3.268 20 30 EGEDHM N#Cc1cc([O-])ccc1Nc1ccc(OC2CCOCC2)c(C#N)c1 ZINC001216669019 1373329940 /nfs/dbraw/zinc/32/99/40/1373329940.db2.gz IMNQWJAXGMHRKC-UHFFFAOYSA-N -1 3 335.363 3.437 20 30 EGEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2COc3c2cccc3Br)[n-]1 ZINC001225467943 1375114107 /nfs/dbraw/zinc/11/41/07/1375114107.db2.gz FTWIPSCNPUDKEN-CYBMUJFWSA-N -1 3 347.168 3.242 20 30 EGEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[n-]1 ZINC001225467244 1375114377 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345.443 3.094 20 30 EGEDHM C[C@@]1(c2ccc(F)cc2)CN(Cc2ccc(C#N)cc2[O-])CCO1 ZINC001233386976 1376634420 /nfs/dbraw/zinc/63/44/20/1376634420.db2.gz PGGVFLCZEBLCBN-IBGZPJMESA-N -1 3 326.371 3.151 20 30 EGEDHM CN(Cc1cncc(Br)c1)Cc1ccc(C#N)cc1[O-] ZINC001233384453 1376634926 /nfs/dbraw/zinc/63/49/26/1376634926.db2.gz WSURAJBAJCHCEX-UHFFFAOYSA-N -1 3 332.201 3.053 20 30 EGEDHM C[C@H]1C[C@H](Oc2cc([O-])cc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001234142596 1376776688 /nfs/dbraw/zinc/77/66/88/1376776688.db2.gz WKSLGXMSVSILAK-SWLSCSKDSA-N -1 3 332.400 3.431 20 30 EGEDHM N#Cc1ccccc1O[C@H]1CCCN(Cc2sccc2C(=O)[O-])C1 ZINC001144677345 1378759163 /nfs/dbraw/zinc/75/91/63/1378759163.db2.gz MOIYMLMZXWLCJT-AWEZNQCLSA-N -1 3 342.420 3.361 20 30 EGEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2sccc2C)c(C)c1[O-] ZINC001147113592 1378971279 /nfs/dbraw/zinc/97/12/79/1378971279.db2.gz PVGIJNIKAGQRNS-UHFFFAOYSA-N -1 3 344.392 3.371 20 30 EGEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H](C)CCCC(C)(C)O)n1 ZINC001157888888 1381060748 /nfs/dbraw/zinc/06/07/48/1381060748.db2.gz PNMGRUIGEDBLPI-VKPPLCHCSA-N -1 3 346.884 3.402 20 30 EGEDHM COc1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cn1 ZINC001163766156 1383119860 /nfs/dbraw/zinc/11/98/60/1383119860.db2.gz VGKOGHBPVUMULC-UHFFFAOYSA-N -1 3 327.262 3.237 20 30 EGEDHM [O-]N=C(Nc1cnc2nccnc2c1)c1ccc(OC(F)(F)F)cc1 ZINC001163766013 1383120088 /nfs/dbraw/zinc/12/00/88/1383120088.db2.gz RACXZDSPSZNCLZ-UHFFFAOYSA-N -1 3 349.272 3.171 20 30 EGEDHM Cc1cc(F)cc2c([O-])c(C(=O)N3CCc4cc(C#N)ccc43)cnc12 ZINC001299232162 1383490666 /nfs/dbraw/zinc/49/06/66/1383490666.db2.gz YVNNKSUEIVKSMO-UHFFFAOYSA-N -1 3 347.349 3.050 20 30 EGEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccccc1C ZINC001317756081 1385446490 /nfs/dbraw/zinc/44/64/90/1385446490.db2.gz GGVUUYLIRUHHRZ-UHFFFAOYSA-N -1 3 339.420 3.349 20 30 EGEDHM Cc1ncc(CO)c(/C=N/CCc2ccc(OC(C)(C)C)cc2)c1[O-] ZINC001320023202 1386458597 /nfs/dbraw/zinc/45/85/97/1386458597.db2.gz DJOYCFHOKQCBEV-CIAFOILYSA-N -1 3 342.439 3.427 20 30 EGEDHM O=C(CCc1nc(-c2ccccc2)no1)N([O-])Cc1ccc(F)cc1 ZINC001332029985 1389951645 /nfs/dbraw/zinc/95/16/45/1389951645.db2.gz LUKWWHGXRCOJQD-UHFFFAOYSA-N -1 3 341.342 3.226 20 30 EGEDHM N#C[C@@H]1CCCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC001339822617 1390160368 /nfs/dbraw/zinc/16/03/68/1390160368.db2.gz HSQFJYHKPRDPRJ-HNNXBMFYSA-N -1 3 341.436 3.227 20 30 EGEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H]1[C@@H](C)CCC ZINC001340341868 1390274333 /nfs/dbraw/zinc/27/43/33/1390274333.db2.gz DDYKZVCVPOHIJF-ZFWWWQNUSA-N -1 3 342.447 3.032 20 30 EGEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@@H](C)C3)n2CC)c1[O-] ZINC001340424761 1390286543 /nfs/dbraw/zinc/28/65/43/1390286543.db2.gz NOEIAOCSFIHFSC-AWEZNQCLSA-N -1 3 342.443 3.014 20 30 EGEDHM CC#CC[C@H](NCc1cccc(Br)c1Cl)C(=O)[O-] ZINC001353953116 1392109672 /nfs/dbraw/zinc/10/96/72/1392109672.db2.gz ZPTCKNXGLVVYBP-NSHDSACASA-N -1 3 330.609 3.059 20 30 EGEDHM C=C(C)C[C@@H](C)C(=O)NCC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC001756892865 1441072723 /nfs/dbraw/zinc/07/27/23/1441072723.db2.gz XKDSUVARETUAKE-OAHLLOKOSA-N -1 3 344.455 3.011 20 30 EGEDHM C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824530452 1441758432 /nfs/dbraw/zinc/75/84/32/1441758432.db2.gz LUDUSEAVRLDCCG-NWDGAFQWSA-N -1 3 336.374 3.289 20 30 EGEDHM C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824530452 1441758435 /nfs/dbraw/zinc/75/84/35/1441758435.db2.gz LUDUSEAVRLDCCG-NWDGAFQWSA-N -1 3 336.374 3.289 20 30 EGEDHM CC(CCc1ccccc1F)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820254834 945399389 /nfs/dbraw/zinc/39/93/89/945399389.db2.gz YAUCJCIWKZPWPX-UHFFFAOYSA-N -1 3 338.390 3.104 20 30 EGEDHM CC(CCc1ccccc1F)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820254834 945399400 /nfs/dbraw/zinc/39/94/00/945399400.db2.gz YAUCJCIWKZPWPX-UHFFFAOYSA-N -1 3 338.390 3.104 20 30 EGEDHM C=C1CCC(C(=O)Oc2cc(C)c(-c3nn[n-]n3)c(C)c2C)CC1 ZINC001573295585 947024051 /nfs/dbraw/zinc/02/40/51/947024051.db2.gz GIEGCDBGIMPKAT-UHFFFAOYSA-N -1 3 326.400 3.444 20 30 EGEDHM C[C@@H](CC#N)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001574472405 949553004 /nfs/dbraw/zinc/55/30/04/949553004.db2.gz UMFIARDWQCJEAG-LBPRGKRZSA-N -1 3 348.366 3.147 20 30 EGEDHM C[C@@H](CC#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001574472405 949553020 /nfs/dbraw/zinc/55/30/20/949553020.db2.gz UMFIARDWQCJEAG-LBPRGKRZSA-N -1 3 348.366 3.147 20 30 EGEDHM C[C@H](CC#N)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001574473229 949563239 /nfs/dbraw/zinc/56/32/39/949563239.db2.gz YVHHHLHJMRRYAA-GFCCVEGCSA-N -1 3 348.366 3.147 20 30 EGEDHM C[C@H](CC#N)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001574473229 949563254 /nfs/dbraw/zinc/56/32/54/949563254.db2.gz YVHHHLHJMRRYAA-GFCCVEGCSA-N -1 3 348.366 3.147 20 30 EGEDHM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(C(F)(F)F)c1 ZINC001594620525 956277865 /nfs/dbraw/zinc/27/78/65/956277865.db2.gz JYZVJPDAJIGRSC-HNNXBMFYSA-N -1 3 334.297 3.493 20 30 EGEDHM O=C([O-])C[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001606094641 973262996 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COCCN(Cc1ccc(C#N)cc1)Cc1ccc(C)c(C(=O)[O-])c1 ZINC001599238602 997993501 /nfs/dbraw/zinc/99/35/01/997993501.db2.gz OOGUDJOSWSQSMV-UHFFFAOYSA-N -1 3 338.407 3.214 20 30 EGEDHM N#Cc1ccc(N2CCC[C@@H]([N-]c3nc4ccccc4o3)C2=O)cc1 ZINC000355575905 283158052 /nfs/dbraw/zinc/15/80/52/283158052.db2.gz NQUWKVWGHKOQSU-MRXNPFEDSA-N -1 3 332.363 3.307 20 30 EGEDHM Cc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000133210694 223396325 /nfs/dbraw/zinc/39/63/25/223396325.db2.gz JGJUEKBMWGDDQE-KSSFIOAISA-N -1 3 346.452 3.004 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000253559520 244025502 /nfs/dbraw/zinc/02/55/02/244025502.db2.gz LNIXSXPFGFCLHF-TYNCELHUSA-N -1 3 329.444 3.149 20 30 EGEDHM Cc1csc([N-]C(=O)c2csc(-c3cnn(C)c3)n2)c1C#N ZINC000344903016 144239814 /nfs/dbraw/zinc/23/98/14/144239814.db2.gz TXQROBCLCQLXKB-UHFFFAOYSA-N -1 3 329.410 3.038 20 30 EGEDHM N#Cc1ccc(OCc2cccc(C(=O)Nc3ncccc3[O-])c2)cc1 ZINC000115707861 152027160 /nfs/dbraw/zinc/02/71/60/152027160.db2.gz NMXCVIDBKABXTH-UHFFFAOYSA-N -1 3 345.358 3.490 20 30 EGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000318210484 154159985 /nfs/dbraw/zinc/15/99/85/154159985.db2.gz RXHYHPJRXMMYDK-UHFFFAOYSA-N -1 3 331.784 3.193 20 30 EGEDHM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000344307202 164151451 /nfs/dbraw/zinc/15/14/51/164151451.db2.gz KYQIBPCEHKRBAL-VHSXEESVSA-N -1 3 345.262 3.034 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c(Cl)c1 ZINC000355626720 166265047 /nfs/dbraw/zinc/26/50/47/166265047.db2.gz BRWIQWMCJFRZRY-UHFFFAOYSA-N -1 3 332.812 3.179 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C(C)C)C1 ZINC000474399901 270055357 /nfs/dbraw/zinc/05/53/57/270055357.db2.gz NZKUSOGIGMFJTA-HNNXBMFYSA-N -1 3 329.444 3.103 20 30 EGEDHM CCNc1ccc(C#N)cc1NC(=O)c1[n-]nc2c1cccc2OC ZINC000362902122 266173072 /nfs/dbraw/zinc/17/30/72/266173072.db2.gz VLNUYZGRRIANLN-UHFFFAOYSA-N -1 3 335.367 3.127 20 30 EGEDHM CCNc1ccc(C#N)cc1NC(=O)c1n[n-]c2c1cccc2OC ZINC000362902122 266173075 /nfs/dbraw/zinc/17/30/75/266173075.db2.gz VLNUYZGRRIANLN-UHFFFAOYSA-N -1 3 335.367 3.127 20 30 EGEDHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)C(F)(F)F ZINC000443933758 267205724 /nfs/dbraw/zinc/20/57/24/267205724.db2.gz HXHBQWAODCCRBE-TVQRCGJNSA-N -1 3 334.363 3.122 20 30 EGEDHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCC1 ZINC000456714705 267217824 /nfs/dbraw/zinc/21/78/24/267217824.db2.gz ZCTMUIIEWJOEMS-KRWDZBQOSA-N -1 3 329.444 3.293 20 30 EGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCc2ccccc21 ZINC000443094068 268159775 /nfs/dbraw/zinc/15/97/75/268159775.db2.gz BKZGZRUBXBBAMB-HNNXBMFYSA-N -1 3 332.812 3.177 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)s1 ZINC000490005846 268256185 /nfs/dbraw/zinc/25/61/85/268256185.db2.gz ZELJQIXPRHBCJB-SNVBAGLBSA-N -1 3 334.413 3.114 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@H]3C2)c(F)c1 ZINC000523571566 268259026 /nfs/dbraw/zinc/25/90/26/268259026.db2.gz ZRCLYJGFVCRHPE-QLFBSQMISA-N -1 3 336.432 3.335 20 30 EGEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000048445249 454489883 /nfs/dbraw/zinc/48/98/83/454489883.db2.gz TVEFLPQMPULZAE-UHFFFAOYSA-N -1 3 347.248 3.405 20 30 EGEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(C)c1 ZINC000564145741 316117573 /nfs/dbraw/zinc/11/75/73/316117573.db2.gz FRSIKKKLGLGIJD-UHFFFAOYSA-N -1 3 334.372 3.124 20 30 EGEDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000157698540 455221844 /nfs/dbraw/zinc/22/18/44/455221844.db2.gz NABYSUZXMXQWED-MNOVXSKESA-N -1 3 344.889 3.164 20 30 EGEDHM O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc(C#Cc2cccs2)c1 ZINC000605291002 460560300 /nfs/dbraw/zinc/56/03/00/460560300.db2.gz FUBIHQOYCRKRGG-MRXNPFEDSA-N -1 3 347.461 3.069 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C)(C(C)C)CC1 ZINC000190346248 455299501 /nfs/dbraw/zinc/29/95/01/455299501.db2.gz HXTKZULKSNSJAI-UHFFFAOYSA-N -1 3 343.471 3.081 20 30 EGEDHM COc1ccccc1-c1nc(NC(=O)Cc2cccc(F)c2)n[n-]1 ZINC000052778607 453844395 /nfs/dbraw/zinc/84/43/95/453844395.db2.gz WKLBRCJNVSISIC-UHFFFAOYSA-N -1 3 326.331 3.450 20 30 EGEDHM O=C(CCC(=O)c1ccc(F)cc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053525699 453884384 /nfs/dbraw/zinc/88/43/84/453884384.db2.gz MHJYPZVEWJXDTE-UHFFFAOYSA-N -1 3 339.330 3.257 20 30 EGEDHM O=C(CCC(=O)c1ccc(F)cc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053525699 453884389 /nfs/dbraw/zinc/88/43/89/453884389.db2.gz MHJYPZVEWJXDTE-UHFFFAOYSA-N -1 3 339.330 3.257 20 30 EGEDHM O=C(CCC(=O)c1ccc(F)cc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053525699 453884391 /nfs/dbraw/zinc/88/43/91/453884391.db2.gz MHJYPZVEWJXDTE-UHFFFAOYSA-N -1 3 339.330 3.257 20 30 EGEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1 ZINC000041556421 453971080 /nfs/dbraw/zinc/97/10/80/453971080.db2.gz BYXQEZPKKRNQID-CYBMUJFWSA-N -1 3 348.280 3.377 20 30 EGEDHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000056044137 454034512 /nfs/dbraw/zinc/03/45/12/454034512.db2.gz UYADXKBZLMQBJV-CMPLNLGQSA-N -1 3 346.374 3.434 20 30 EGEDHM Cc1ccc(N2CCC[C@@H](/N=C/c3ccc(O)c([O-])c3O)C2)cc1 ZINC000132400172 454335066 /nfs/dbraw/zinc/33/50/66/454335066.db2.gz SPZBWUVLVCIULI-PZUDMAOCSA-N -1 3 326.396 3.200 20 30 EGEDHM COc1cccc2cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)oc21 ZINC000073914613 454500768 /nfs/dbraw/zinc/50/07/68/454500768.db2.gz PQZGAZPDHFJUQO-UHFFFAOYSA-N -1 3 326.234 3.215 20 30 EGEDHM COc1cccc2cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)oc21 ZINC000073914613 454500769 /nfs/dbraw/zinc/50/07/69/454500769.db2.gz PQZGAZPDHFJUQO-UHFFFAOYSA-N -1 3 326.234 3.215 20 30 EGEDHM Cc1csc(C(C#N)=C([O-])c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC000048789497 454516275 /nfs/dbraw/zinc/51/62/75/454516275.db2.gz SNBLRAIMIZVZSM-JTQLQIEISA-N -1 3 326.337 3.331 20 30 EGEDHM CC(=O)c1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)n(C)c1 ZINC000048828553 454518518 /nfs/dbraw/zinc/51/85/18/454518518.db2.gz HLPVWCSIHVQXAG-LBPRGKRZSA-N -1 3 335.285 3.132 20 30 EGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccc(F)cc1F ZINC000049457377 454549856 /nfs/dbraw/zinc/54/98/56/454549856.db2.gz GWPPVMZRMSJQAH-ZDUSSCGKSA-N -1 3 338.317 3.344 20 30 EGEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000108998800 454819201 /nfs/dbraw/zinc/81/92/01/454819201.db2.gz QIZLFNRTNYTJFE-SNVBAGLBSA-N -1 3 345.449 3.494 20 30 EGEDHM COc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)cc(OC)c1[O-] ZINC000164160968 454875793 /nfs/dbraw/zinc/87/57/93/454875793.db2.gz HMSQOORCLRBJBA-OAHLLOKOSA-N -1 3 340.379 3.184 20 30 EGEDHM N#CC(=C([O-])c1cnn(-c2ccccc2F)c1)c1nc2ccccc2[nH]1 ZINC000126214873 454878756 /nfs/dbraw/zinc/87/87/56/454878756.db2.gz FRMDQDORCFBKKP-ZDUSSCGKSA-N -1 3 345.337 3.378 20 30 EGEDHM N#CCCn1cc(/C=C/C(=O)[N-]OCc2cccnc2)c2ccccc21 ZINC000152331111 455103087 /nfs/dbraw/zinc/10/30/87/455103087.db2.gz HCCCYOMZVHMHEJ-CMDGGOBGSA-N -1 3 346.390 3.211 20 30 EGEDHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)c1C#N ZINC000156325829 455104736 /nfs/dbraw/zinc/10/47/36/455104736.db2.gz HOQMFRGVVTXLBT-NWDGAFQWSA-N -1 3 346.374 3.266 20 30 EGEDHM CC(=O)N(c1nc(/C=C2\Cc3c(cccc3[O-])C2=O)cs1)C1CC1 ZINC000172044026 455112938 /nfs/dbraw/zinc/11/29/38/455112938.db2.gz GPMKQKDGRQCFMU-YRNVUSSQSA-N -1 3 340.404 3.186 20 30 EGEDHM N#Cc1ccc(OC(F)F)c(NC([O-])=NOCCC(F)(F)F)c1 ZINC000157316285 455183418 /nfs/dbraw/zinc/18/34/18/455183418.db2.gz MMMXWRFTHKNFEV-UHFFFAOYSA-N -1 3 339.220 3.165 20 30 EGEDHM N#Cc1ccc(OC(F)F)c(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000157316285 455183423 /nfs/dbraw/zinc/18/34/23/455183423.db2.gz MMMXWRFTHKNFEV-UHFFFAOYSA-N -1 3 339.220 3.165 20 30 EGEDHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C#N)ccc2C)on1 ZINC000173494907 455293836 /nfs/dbraw/zinc/29/38/36/455293836.db2.gz MGAVOSRDDZPGMV-UHFFFAOYSA-N -1 3 347.440 3.237 20 30 EGEDHM Cn1cc(/C=C2/Cc3c(cccc3[O-])C2=O)c(-c2ccc(C#N)cc2)n1 ZINC000182281605 455479416 /nfs/dbraw/zinc/47/94/16/455479416.db2.gz RZTISBJMMNBCOZ-DHDCSXOGSA-N -1 3 341.370 3.487 20 30 EGEDHM N#CCCCOc1cccnc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000182305240 455484300 /nfs/dbraw/zinc/48/43/00/455484300.db2.gz AYLJACVQNXLBHP-UHFFFAOYSA-N -1 3 345.786 3.304 20 30 EGEDHM N#Cc1c([N-]C(=O)c2cc(-c3cccnc3)on2)sc2c1CCC2 ZINC000192468901 455624862 /nfs/dbraw/zinc/62/48/62/455624862.db2.gz CUOGYFXBIHAPBH-UHFFFAOYSA-N -1 3 336.376 3.411 20 30 EGEDHM CCC[C@@H](C)C(=O)NCC/N=C/c1cc(Br)ccc1[O-] ZINC000292314484 455625869 /nfs/dbraw/zinc/62/58/69/455625869.db2.gz LSCQHSPGXHOBTI-JDAJCMJVSA-N -1 3 341.249 3.126 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCOc3cc(F)ccc32)c1[O-] ZINC000271937392 455799151 /nfs/dbraw/zinc/79/91/51/455799151.db2.gz NKSZCQLGXNMGFM-MSGYXIIISA-N -1 3 330.359 3.060 20 30 EGEDHM Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c([O-])c1C ZINC000271229713 456183378 /nfs/dbraw/zinc/18/33/78/456183378.db2.gz TUYJSIFMRUQXSW-IBGZPJMESA-N -1 3 349.434 3.032 20 30 EGEDHM CC(C)(C)OC(=O)C1CCC(/N=C/c2ccc(O)c([O-])c2O)CC1 ZINC000271244210 456189631 /nfs/dbraw/zinc/18/96/31/456189631.db2.gz ZYNIMSUACZUHIX-VXLYETTFSA-N -1 3 335.400 3.123 20 30 EGEDHM COc1nc(C)c(Br)cc1C([O-])=C(C#N)c1ccccn1 ZINC000189075912 456219004 /nfs/dbraw/zinc/21/90/04/456219004.db2.gz SCOBNBPTTRTMHK-NSHDSACASA-N -1 3 346.184 3.046 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2CCCCS2)no1 ZINC000273835080 456246069 /nfs/dbraw/zinc/24/60/69/456246069.db2.gz AQELONBNPFGCEZ-AWEZNQCLSA-N -1 3 344.440 3.402 20 30 EGEDHM CCn1nc(C)c(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)n1 ZINC000297848225 456308509 /nfs/dbraw/zinc/30/85/09/456308509.db2.gz NQLFLNBDLRJDFL-UWVGGRQHSA-N -1 3 343.456 3.478 20 30 EGEDHM CCCOCc1ccccc1C/N=C/c1c([O-])c(C)ncc1CO ZINC000298658900 456510907 /nfs/dbraw/zinc/51/09/07/456510907.db2.gz QSWLWWWHPQILMN-RGVLZGJSSA-N -1 3 328.412 3.134 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2cccc(OC(F)F)c2)c1[O-] ZINC000298689043 456516976 /nfs/dbraw/zinc/51/69/76/456516976.db2.gz YGWYDLKNFHJPDV-DNQBHLINSA-N -1 3 336.338 3.369 20 30 EGEDHM C#CCO[N-]C(=O)/C=C/c1cc(Cl)c(OCC(C)C)c(OC)c1 ZINC000291349287 456614507 /nfs/dbraw/zinc/61/45/07/456614507.db2.gz XACKKSDSXRBNHC-VOTSOKGWSA-N -1 3 337.803 3.078 20 30 EGEDHM Cc1cccc2c1CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CC2 ZINC000277125361 456690729 /nfs/dbraw/zinc/69/07/29/456690729.db2.gz ZEGRMEOXPIHKMN-UHFFFAOYSA-N -1 3 349.434 3.102 20 30 EGEDHM COCc1cnc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)s1 ZINC000340812904 456697979 /nfs/dbraw/zinc/69/79/79/456697979.db2.gz UQSHNOOFXOLTMZ-UHFFFAOYSA-N -1 3 340.364 3.068 20 30 EGEDHM C[C@H](C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)C1CCOCC1 ZINC000328770542 456757479 /nfs/dbraw/zinc/75/74/79/456757479.db2.gz JAUUJNJQXSLVOQ-BBATYDOGSA-N -1 3 345.399 3.437 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CCC1)C1CCC1 ZINC000329232942 456857826 /nfs/dbraw/zinc/85/78/26/456857826.db2.gz LPACJLNSPJEQMI-UHFFFAOYSA-N -1 3 327.428 3.142 20 30 EGEDHM C=CCCC1(c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)CC1 ZINC000345789463 456994424 /nfs/dbraw/zinc/99/44/24/456994424.db2.gz REYVKJLWNPXFEQ-UHFFFAOYSA-N -1 3 333.413 3.106 20 30 EGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)c1 ZINC000342124598 457121252 /nfs/dbraw/zinc/12/12/52/457121252.db2.gz HBUZKXMOLMJCTL-UHFFFAOYSA-N -1 3 345.811 3.171 20 30 EGEDHM CN(C)[C@@]1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCSC1 ZINC000331223750 457148994 /nfs/dbraw/zinc/14/89/94/457148994.db2.gz APAHTCUJXCTKRU-CQSZACIVSA-N -1 3 349.283 3.441 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)cc1Br ZINC000354460712 457238540 /nfs/dbraw/zinc/23/85/40/457238540.db2.gz FQFKXJQRPGBEGP-GFCCVEGCSA-N -1 3 330.185 3.346 20 30 EGEDHM N#CC(=C([O-])c1ccccc1NC(=O)c1cccs1)c1ccncn1 ZINC000354473655 457246527 /nfs/dbraw/zinc/24/65/27/457246527.db2.gz VVVINLNVPSCGSR-ZDUSSCGKSA-N -1 3 348.387 3.280 20 30 EGEDHM N#CCCCOc1cccnc1NC(=O)c1cc([O-])ccc1Cl ZINC000339757434 457251458 /nfs/dbraw/zinc/25/14/58/457251458.db2.gz SOAGXWXGJDAYDL-UHFFFAOYSA-N -1 3 331.759 3.375 20 30 EGEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1 ZINC000355112407 457342535 /nfs/dbraw/zinc/34/25/35/457342535.db2.gz GNISVFNROHSDGP-OAHLLOKOSA-N -1 3 347.374 3.240 20 30 EGEDHM Cc1oc(Br)cc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000425279029 457480484 /nfs/dbraw/zinc/48/04/84/457480484.db2.gz ZTYDMVRXFRHLIV-LLVKDONJSA-N -1 3 334.173 3.247 20 30 EGEDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)C2CC2)n1 ZINC000443913315 457822750 /nfs/dbraw/zinc/82/27/50/457822750.db2.gz MYIPDTYXNDLZIK-HNNXBMFYSA-N -1 3 347.465 3.061 20 30 EGEDHM C=CCc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc(OC)c1O ZINC000426771150 457898123 /nfs/dbraw/zinc/89/81/23/457898123.db2.gz ZEKUKCXZHWZVDD-KRWDZBQOSA-N -1 3 345.370 3.184 20 30 EGEDHM C=CCCCS(=O)(=O)[N-]c1ccc2c(c1)nc1n2CCCCC1 ZINC000427776861 458033964 /nfs/dbraw/zinc/03/39/64/458033964.db2.gz JHZCMVCDCKBMKC-UHFFFAOYSA-N -1 3 333.457 3.471 20 30 EGEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1Cl ZINC000428267387 458109851 /nfs/dbraw/zinc/10/98/51/458109851.db2.gz IAYDUMFTQBAGCN-MRXNPFEDSA-N -1 3 349.843 3.282 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(C)(C)c1ccccc1 ZINC000435434122 458146965 /nfs/dbraw/zinc/14/69/65/458146965.db2.gz WIVXSCQKYYPYAW-LBPRGKRZSA-N -1 3 334.466 3.264 20 30 EGEDHM CCOc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000429096773 458271108 /nfs/dbraw/zinc/27/11/08/458271108.db2.gz DYCNLCBYORWRSC-LLVKDONJSA-N -1 3 335.285 3.384 20 30 EGEDHM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c2ccccc2c1=O ZINC000429104519 458272836 /nfs/dbraw/zinc/27/28/36/458272836.db2.gz FWWYMRDZKNHJQL-AWEZNQCLSA-N -1 3 343.342 3.170 20 30 EGEDHM N#CC1(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCC1 ZINC000416670387 458352021 /nfs/dbraw/zinc/35/20/21/458352021.db2.gz LKLZSEXEKQCEMV-UHFFFAOYSA-N -1 3 334.828 3.465 20 30 EGEDHM Cc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c([O-])c1C ZINC000436805994 458384125 /nfs/dbraw/zinc/38/41/25/458384125.db2.gz GMRQHGHUZSYPPM-LPHOPBHVSA-N -1 3 328.412 3.077 20 30 EGEDHM N#CC1(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CCC1 ZINC000450600528 458453099 /nfs/dbraw/zinc/45/30/99/458453099.db2.gz SOORYHNJBWLZBB-UHFFFAOYSA-N -1 3 337.408 3.307 20 30 EGEDHM C=CCO[N-]C(=O)/C=C\c1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000493694143 458537589 /nfs/dbraw/zinc/53/75/89/458537589.db2.gz OXKZCMGSUUEGON-SREVYHEPSA-N -1 3 325.792 3.383 20 30 EGEDHM C=CCN(CC=C)[C@@H](CN=c1nc(C(F)(F)F)[n-]s1)C(C)C ZINC000470045117 458609456 /nfs/dbraw/zinc/60/94/56/458609456.db2.gz KCNWQCRKAVEPEO-NSHDSACASA-N -1 3 334.411 3.089 20 30 EGEDHM C=CCN(CC=C)[C@@H](CN=c1[n-]c(C(F)(F)F)ns1)C(C)C ZINC000470045117 458609461 /nfs/dbraw/zinc/60/94/61/458609461.db2.gz KCNWQCRKAVEPEO-NSHDSACASA-N -1 3 334.411 3.089 20 30 EGEDHM C=CCCS(=O)(=O)[N-]c1cnn(-c2ccc(C)cc2)c1CCC ZINC000431906582 458644331 /nfs/dbraw/zinc/64/43/31/458644331.db2.gz ZLBAYWTZWXTTIV-UHFFFAOYSA-N -1 3 333.457 3.451 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccnc(N3CCC[C@H](C)C3)c2)nc(C)n1 ZINC000517004091 458824988 /nfs/dbraw/zinc/82/49/88/458824988.db2.gz JOFOFCPORRKAPX-SUMWQHHRSA-N -1 3 349.438 3.215 20 30 EGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3noc4c3C[C@@H](C)CC4)[nH]c21 ZINC000518957970 458902657 /nfs/dbraw/zinc/90/26/57/458902657.db2.gz KIUILELLTJBUPO-GWCFXTLKSA-N -1 3 334.379 3.474 20 30 EGEDHM CC#CCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000476514229 459004693 /nfs/dbraw/zinc/00/46/93/459004693.db2.gz RLOYCTFSWFTGHB-UHFFFAOYSA-N -1 3 340.857 3.155 20 30 EGEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)C2(C#N)CC(C)C2)[nH][n-]1 ZINC000532265760 459056111 /nfs/dbraw/zinc/05/61/11/459056111.db2.gz BALVJWNWCKIRGU-UHFFFAOYSA-N -1 3 344.802 3.039 20 30 EGEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1Cl)C1CCCC1 ZINC000594706845 459135298 /nfs/dbraw/zinc/13/52/98/459135298.db2.gz XLUATYSUOQLYGL-OAHLLOKOSA-N -1 3 342.848 3.159 20 30 EGEDHM CSCC1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000594815976 459158307 /nfs/dbraw/zinc/15/83/07/459158307.db2.gz MNBACGJZQQBTMH-UHFFFAOYSA-N -1 3 344.889 3.023 20 30 EGEDHM CC1(C)Cc2ccc(C(=O)N3CCC(CCC#N)CC3)c([O-])c2O1 ZINC000578510555 459214365 /nfs/dbraw/zinc/21/43/65/459214365.db2.gz UHSWPROOHMQSNX-UHFFFAOYSA-N -1 3 328.412 3.262 20 30 EGEDHM C=C[C@H](CC(=O)Nc1nc(C)[n-]c1C(=O)OCC)c1ccccc1 ZINC000536244361 459360022 /nfs/dbraw/zinc/36/00/22/459360022.db2.gz 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3.379 20 30 EGEDHM N#Cc1ccc([C@H](NCc2ccc(C(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000739105304 576378222 /nfs/dbraw/zinc/37/82/22/576378222.db2.gz GENGOBJXVJSUED-HNNXBMFYSA-N -1 3 334.297 3.493 20 30 EGEDHM CCOc1ccc(/C=N/CCc2cccc(C(=O)N(C)C)c2)c([O-])c1 ZINC000741464973 576688357 /nfs/dbraw/zinc/68/83/57/576688357.db2.gz RVSPRYCNYRJGKI-KGENOOAVSA-N -1 3 340.423 3.154 20 30 EGEDHM N#Cc1ccc(F)c(CNCc2cc(Br)ccc2[O-])c1 ZINC000742381654 576776677 /nfs/dbraw/zinc/77/66/77/576776677.db2.gz BCNJAFYFUZUUDR-UHFFFAOYSA-N -1 3 335.176 3.455 20 30 EGEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCC[C@H]1c1ccccc1 ZINC000743448350 576809342 /nfs/dbraw/zinc/80/93/42/576809342.db2.gz KWZFNPVXQWFRBE-SFHVURJKSA-N -1 3 342.464 3.472 20 30 EGEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccccc1Cl ZINC000743448742 576809388 /nfs/dbraw/zinc/80/93/88/576809388.db2.gz CQBXQVGPWUZFDI-UHFFFAOYSA-N -1 3 336.844 3.226 20 30 EGEDHM CC(C)[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000820016143 599631796 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C=CCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC000819733783 606335105 /nfs/dbraw/zinc/33/51/05/606335105.db2.gz BHGZSLPBKRAQIW-SNVBAGLBSA-N -1 3 331.445 3.348 20 30 EGEDHM C=CCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000819733783 606335107 /nfs/dbraw/zinc/33/51/07/606335107.db2.gz BHGZSLPBKRAQIW-SNVBAGLBSA-N -1 3 331.445 3.348 20 30 EGEDHM O=C1c2cc(Cl)ccc2OC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823504736 606391383 /nfs/dbraw/zinc/39/13/83/606391383.db2.gz TXSYJJGOTHLWHB-IZZDOVSWSA-N -1 3 330.756 3.198 20 30 EGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=CC(=CC)CC ZINC000819743674 607010489 /nfs/dbraw/zinc/01/04/89/607010489.db2.gz NXKLCQHVHLEJCR-BRIMTAONSA-N -1 3 337.427 3.294 20 30 EGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=CC(=CC)CC ZINC000819743674 607010491 /nfs/dbraw/zinc/01/04/91/607010491.db2.gz NXKLCQHVHLEJCR-BRIMTAONSA-N -1 3 337.427 3.294 20 30 EGEDHM Cc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)s1 ZINC000823953762 608537969 /nfs/dbraw/zinc/53/79/69/608537969.db2.gz 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/nfs/dbraw/zinc/48/26/17/609482617.db2.gz ZHOOOEQBEPJQBD-UHFFFAOYSA-N -1 3 328.738 3.143 20 30 EGEDHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000023346138 1291234226 /nfs/dbraw/zinc/23/42/26/1291234226.db2.gz AOCPCYYWAUQHCO-SNVBAGLBSA-N -1 3 339.376 3.285 20 30 EGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc3c(s2)CCOC3)c1 ZINC000103330027 1293002569 /nfs/dbraw/zinc/00/25/69/1293002569.db2.gz HBFPHQSWYVVFRS-AWEZNQCLSA-N -1 3 340.404 3.090 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1C(C)C ZINC000835061377 1293195986 /nfs/dbraw/zinc/19/59/86/1293195986.db2.gz RZGPHPJKZLCTFO-CQSZACIVSA-N -1 3 344.802 3.387 20 30 EGEDHM CC(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n[nH]1 ZINC000130232785 1293649735 /nfs/dbraw/zinc/64/97/35/1293649735.db2.gz QIBWQPCYOXGWBV-SNVBAGLBSA-N -1 3 348.765 3.287 20 30 EGEDHM COc1cc(NC(=O)C/N=C/c2cc(Cl)ccc2[O-])cc(OC)c1 ZINC000175896322 1294579482 /nfs/dbraw/zinc/57/94/82/1294579482.db2.gz FFDFURHBZXDQHI-DJKKODMXSA-N -1 3 348.786 3.120 20 30 EGEDHM CS(=O)(=O)Cc1ccccc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000178703889 1294751173 /nfs/dbraw/zinc/75/11/73/1294751173.db2.gz LCSNUUPRFWCYCW-VCHYOVAHSA-N -1 3 337.828 3.209 20 30 EGEDHM C[C@@H](C#N)CNCc1cc(Br)cc(Br)c1[O-] ZINC000183824220 1295147938 /nfs/dbraw/zinc/14/79/38/1295147938.db2.gz OKTLVPTXPFJABG-ZETCQYMHSA-N -1 3 348.038 3.166 20 30 EGEDHM N#CC(=C([O-])C=CCCc1ccccc1)c1nnc2n1CCCCC2 ZINC000870162366 1295712455 /nfs/dbraw/zinc/71/24/55/1295712455.db2.gz GZNWLYSXMQWLMJ-SNQZOLJRSA-N -1 3 334.423 3.370 20 30 EGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc(Cl)s1 ZINC000193529217 1295883905 /nfs/dbraw/zinc/88/39/05/1295883905.db2.gz OGYKGNHZEJDNMQ-MALLOTDXSA-N -1 3 331.784 3.157 20 30 EGEDHM CC(=NNS(=O)(=O)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC000254707807 1296476052 /nfs/dbraw/zinc/47/60/52/1296476052.db2.gz JZWYHOGBERYDEI-UHFFFAOYSA-N -1 3 340.404 3.248 20 30 EGEDHM CN(C)C(=O)c1cccc(CC/N=C\c2cc(Cl)ccc2[O-])c1 ZINC000255758521 1296565734 /nfs/dbraw/zinc/56/57/34/1296565734.db2.gz ZWRDKLQMKJLUFW-NDENLUEZSA-N -1 3 330.815 3.409 20 30 EGEDHM COc1cc(C(=O)/C=C\c2cncc(Br)c2)ccc1[O-] ZINC000588476888 1298069876 /nfs/dbraw/zinc/06/98/76/1298069876.db2.gz PGSXMODAHAXXKZ-RQOWECAXSA-N -1 3 334.169 3.454 20 30 EGEDHM CC(C)=CCCC(C)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000749157606 1299155872 /nfs/dbraw/zinc/15/58/72/1299155872.db2.gz GUARAPFELBZQEG-UHFFFAOYSA-N -1 3 339.417 3.137 20 30 EGEDHM CC1(C)CC(=N[N-]S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000751525371 1299561441 /nfs/dbraw/zinc/56/14/41/1299561441.db2.gz FFMFKXJLZJMZOB-UHFFFAOYSA-N -1 3 344.436 3.071 20 30 EGEDHM N#Cc1ccc(C(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000751730237 1299607216 /nfs/dbraw/zinc/60/72/16/1299607216.db2.gz CHBXWGWLRPGCLY-UHFFFAOYSA-N -1 3 333.702 3.096 20 30 EGEDHM O=C1Nc2c(cccc2F)C1=N[N-]c1ncc(Cl)cc1Cl ZINC000753955597 1300053074 /nfs/dbraw/zinc/05/30/74/1300053074.db2.gz QLDJLMOHGQMUMR-UHFFFAOYSA-N -1 3 325.130 3.296 20 30 EGEDHM CCOc1cc(C=NO[C@H]2CCCCO2)cc(Br)c1[O-] ZINC000755822463 1300402863 /nfs/dbraw/zinc/40/28/63/1300402863.db2.gz RYUITTIXGIARAV-ZDUSSCGKSA-N -1 3 344.205 3.431 20 30 EGEDHM COc1cc(C(=O)/C=C/c2ccc(OC)c(O)c2)c(OC)cc1[O-] ZINC000763107942 1301824336 /nfs/dbraw/zinc/82/43/36/1301824336.db2.gz ZOICUSUNGQMBAM-GQCTYLIASA-N -1 3 330.336 3.020 20 30 EGEDHM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1Cl ZINC000766836736 1302528879 /nfs/dbraw/zinc/52/88/79/1302528879.db2.gz CNTMERIVPNEUOW-VIFPVBQESA-N -1 3 326.743 3.110 20 30 EGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cnc(C2CCCC2)s1 ZINC000767778549 1302761939 /nfs/dbraw/zinc/76/19/39/1302761939.db2.gz AEVPMYKHPKYXIE-UHFFFAOYSA-N -1 3 349.481 3.254 20 30 EGEDHM CN1CCN(c2ccc(C=CC(=O)c3sccc3[O-])cc2)CC1 ZINC000773144254 1303633517 /nfs/dbraw/zinc/63/35/17/1303633517.db2.gz ZSQNBVZODGJAIV-QPJJXVBHSA-N -1 3 328.437 3.102 20 30 EGEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2nc(C(F)(F)F)cs2)c1[O-] ZINC000775741632 1304027124 /nfs/dbraw/zinc/02/71/24/1304027124.db2.gz TWZPXFGEUXUWKO-SPYNKFAXSA-N -1 3 345.346 3.243 20 30 EGEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC000775931474 1304062728 /nfs/dbraw/zinc/06/27/28/1304062728.db2.gz XZZVMLPDHDPSTA-NSHDSACASA-N -1 3 325.792 3.016 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCc1ccsc1 ZINC000782671347 1305001927 /nfs/dbraw/zinc/00/19/27/1305001927.db2.gz DAUVGBXMDQRMAM-UHFFFAOYSA-N -1 3 344.436 3.446 20 30 EGEDHM O=C1[C@@H](/N=C/c2cc(Cl)ccc2[O-])CCCN1Cc1ccccn1 ZINC000783682766 1305128612 /nfs/dbraw/zinc/12/86/12/1305128612.db2.gz ZUFNVVPBCSLOGX-XYHOIZSOSA-N -1 3 343.814 3.051 20 30 EGEDHM CCCOc1ccc(C/N=C\c2c([O-])c(C)ncc2CO)c(C)c1 ZINC000788674720 1305994222 /nfs/dbraw/zinc/99/42/22/1305994222.db2.gz OITFFEVVNDSTME-JAIQZWGSSA-N -1 3 328.412 3.304 20 30 EGEDHM [O-]c1ccc(F)c(C=NNc2ccc(Br)nc2)c1F ZINC000794512086 1309539704 /nfs/dbraw/zinc/53/97/04/1309539704.db2.gz NAQNVLUXPPLWER-UHFFFAOYSA-N -1 3 328.116 3.274 20 30 EGEDHM Cc1ncc(CO)c(/C=N/CCn2ccc3cc(Cl)ccc32)c1[O-] ZINC000794682852 1309573179 /nfs/dbraw/zinc/57/31/79/1309573179.db2.gz YIOVCHYKKVHFRK-KEBDBYFISA-N -1 3 343.814 3.315 20 30 EGEDHM CN1C(=O)CCc2cc(C(=O)/C=C\c3c(F)ccc([O-])c3F)ccc21 ZINC000794945719 1309628881 /nfs/dbraw/zinc/62/88/81/1309628881.db2.gz JVNIFJJXYFQDOF-DAXSKMNVSA-N -1 3 343.329 3.476 20 30 EGEDHM Cc1cccc(CO[N-]C(=O)CCCCOc2cccc(C#N)c2)n1 ZINC000898936067 1310880224 /nfs/dbraw/zinc/88/02/24/1310880224.db2.gz QHECXFAUBMLILL-UHFFFAOYSA-N -1 3 339.395 3.059 20 30 EGEDHM CCCCCCCC[C@@H](N)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000900465222 1317291588 /nfs/dbraw/zinc/29/15/88/1317291588.db2.gz IZQPAYUCVMMHPM-QZTJIDSGSA-N -1 3 346.471 3.275 20 30 EGEDHM O=C(CCOC[C@@H]1CCCO1)N([O-])Cc1cccc2ccccc21 ZINC000901369313 1317410977 /nfs/dbraw/zinc/41/09/77/1317410977.db2.gz ALGTXMGTPNZXKB-KRWDZBQOSA-N -1 3 329.396 3.143 20 30 EGEDHM CC(C)CN1C[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)CC1=O ZINC000901370167 1317411158 /nfs/dbraw/zinc/41/11/58/1317411158.db2.gz AQACIXUKCSSVOG-KRWDZBQOSA-N -1 3 340.423 3.062 20 30 EGEDHM CC(C)(C)OC(=O)NCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371061 1317411170 /nfs/dbraw/zinc/41/11/70/1317411170.db2.gz QHVOGTJTQNQYIZ-UHFFFAOYSA-N -1 3 344.411 3.472 20 30 EGEDHM CN(CCCC(=O)N([O-])Cc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000901374633 1317411904 /nfs/dbraw/zinc/41/19/04/1317411904.db2.gz OGTPMHQFBNNJRX-UHFFFAOYSA-N -1 3 340.395 3.191 20 30 EGEDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N([O-])Cc1ccc(F)cc1 ZINC000901374790 1317412232 /nfs/dbraw/zinc/41/22/32/1317412232.db2.gz SALHIBQVOUPNQK-UHFFFAOYSA-N -1 3 343.314 3.107 20 30 EGEDHM O=C(CC[C@@H]1Cc2ccccc2NC1=O)N([O-])Cc1ccc(F)cc1 ZINC000901375707 1317412306 /nfs/dbraw/zinc/41/23/06/1317412306.db2.gz KSVRYMFZDQVDBK-OAHLLOKOSA-N -1 3 342.370 3.135 20 30 EGEDHM O=C(c1cn(-c2ccc(Cl)cc2)nn1)N([O-])Cc1ccc(F)cc1 ZINC000901376218 1317414100 /nfs/dbraw/zinc/41/41/00/1317414100.db2.gz QWMAZIZYKUQEDH-UHFFFAOYSA-N -1 3 346.749 3.091 20 30 EGEDHM COCC1(C(=O)N([O-])Cc2cccc3ccccc32)CCOCC1 ZINC000904171755 1317802850 /nfs/dbraw/zinc/80/28/50/1317802850.db2.gz SNXHZMAXZHWUDW-UHFFFAOYSA-N -1 3 329.396 3.001 20 30 EGEDHM N#Cc1cc([O-])cc(C(=O)OCCOc2ccc(F)cc2Cl)c1 ZINC000811184892 1318118730 /nfs/dbraw/zinc/11/87/30/1318118730.db2.gz DYULLWHNADIUON-UHFFFAOYSA-N -1 3 335.718 3.292 20 30 EGEDHM COc1cc(COC(=O)c2cc([O-])cc(C#N)c2)ccc1SC ZINC000811187155 1318120118 /nfs/dbraw/zinc/12/01/18/1318120118.db2.gz LGUFJYDFGNMOGW-UHFFFAOYSA-N -1 3 329.377 3.351 20 30 EGEDHM N#Cc1cc([O-])cc(C(=O)OCc2csc(-c3ccoc3)n2)c1 ZINC000811187838 1318120221 /nfs/dbraw/zinc/12/02/21/1318120221.db2.gz ZWWYYNDOGSXGMJ-UHFFFAOYSA-N -1 3 326.333 3.337 20 30 EGEDHM C=CCNC(=O)c1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000814267312 1318713762 /nfs/dbraw/zinc/71/37/62/1318713762.db2.gz APLMTCYCRDWFAN-UHFFFAOYSA-N -1 3 330.771 3.214 20 30 EGEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1cccs1 ZINC000916320561 1319639958 /nfs/dbraw/zinc/63/99/58/1319639958.db2.gz BAFKLAMOHMFLLB-CYBMUJFWSA-N -1 3 344.421 3.023 20 30 EGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(C(F)(F)F)cn2)c1 ZINC000916896636 1319721462 /nfs/dbraw/zinc/72/14/62/1319721462.db2.gz MYWRHURGECCMOP-ZDUSSCGKSA-N -1 3 347.296 3.370 20 30 EGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000916912039 1319725337 /nfs/dbraw/zinc/72/53/37/1319725337.db2.gz IDPNEFXYHTYMLS-MRXNPFEDSA-N -1 3 337.335 3.118 20 30 EGEDHM CCCCCCCC[C@H](O)CCC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825040898 1320305677 /nfs/dbraw/zinc/30/56/77/1320305677.db2.gz QDNVSJKXUPIJRJ-HNNXBMFYSA-N -1 3 349.475 3.225 20 30 EGEDHM CC(C)(C)CC(=O)[N-]OCc1ccc(C#N)cc1Br ZINC000842061024 1321341322 /nfs/dbraw/zinc/34/13/22/1321341322.db2.gz HHEARZVPWYYTRI-UHFFFAOYSA-N -1 3 325.206 3.305 20 30 EGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000846547464 1321792266 /nfs/dbraw/zinc/79/22/66/1321792266.db2.gz AZEDMCNEGWVURF-LLVKDONJSA-N -1 3 347.333 3.191 20 30 EGEDHM C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852757578 1323239377 /nfs/dbraw/zinc/23/93/77/1323239377.db2.gz WISMSWSBZMCJQF-JMSVASOKSA-N -1 3 339.361 3.008 20 30 EGEDHM C=CCCO[N-]C(=O)CCc1ccc(OC)c(Br)c1 ZINC000856030172 1325441409 /nfs/dbraw/zinc/44/14/09/1325441409.db2.gz RYNPRUCSEWJWQN-UHFFFAOYSA-N -1 3 328.206 3.014 20 30 EGEDHM C=CCC[C@H](NCc1c([O-])cccc1Br)C(=O)OCC ZINC000862387881 1329481015 /nfs/dbraw/zinc/48/10/15/1329481015.db2.gz SVUWIYMWACELQQ-ZDUSSCGKSA-N -1 3 342.233 3.142 20 30 EGEDHM C=C[C@](C)(CC)C(=O)N1CCCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000943104255 1332103735 /nfs/dbraw/zinc/10/37/35/1332103735.db2.gz GDAYHEJEUWZWKI-FOIQADDNSA-N -1 3 344.455 3.105 20 30 EGEDHM C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001062015537 1351425411 /nfs/dbraw/zinc/42/54/11/1351425411.db2.gz QNUMOWRTTFCSPY-JKSUJKDBSA-N -1 3 344.455 3.105 20 30 EGEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001075093389 1356300711 /nfs/dbraw/zinc/30/07/11/1356300711.db2.gz PGRIPZWFMFOIEK-CABCVRRESA-N -1 3 344.455 3.104 20 30 EGEDHM C=CCCC(=O)N(CC)CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001081050303 1357800184 /nfs/dbraw/zinc/80/01/84/1357800184.db2.gz GLJLWPSHOHYRDY-UHFFFAOYSA-N -1 3 344.455 3.059 20 30 EGEDHM N#Cc1ccc(Br)c([N-]S(=O)(=O)c2ccsc2)c1 ZINC001185392546 1387703538 /nfs/dbraw/zinc/70/35/38/1387703538.db2.gz RHSKPLUTLLPUJX-UHFFFAOYSA-N -1 3 343.227 3.183 20 30 EGEDHM CC(C)[C@H](CNC(=O)c1ccccc1[O-])Nc1cccc(F)c1C#N ZINC001105134281 1366341777 /nfs/dbraw/zinc/34/17/77/1366341777.db2.gz VKTYVFPBOZVPPR-KRWDZBQOSA-N -1 3 341.386 3.269 20 30 EGEDHM COc1ccc(-c2ocnc2C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001190226503 1367203973 /nfs/dbraw/zinc/20/39/73/1367203973.db2.gz XTKVGLDDAGFZLG-UHFFFAOYSA-N -1 3 335.319 3.180 20 30 EGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)cc1C#N ZINC001191903520 1367632839 /nfs/dbraw/zinc/63/28/39/1367632839.db2.gz GUFCHPHHXGDYFC-UHFFFAOYSA-N -1 3 349.774 3.164 20 30 EGEDHM N#Cc1cc2cccnc2nc1[N-]C(=O)c1ccc(C(F)(F)F)o1 ZINC001194405879 1368253740 /nfs/dbraw/zinc/25/37/40/1368253740.db2.gz XGPKYUXDKWVKPE-UHFFFAOYSA-N -1 3 332.241 3.366 20 30 EGEDHM N#Cc1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)ccc1Cl ZINC001197599676 1368851321 /nfs/dbraw/zinc/85/13/21/1368851321.db2.gz GEKVUPVWTMSLEH-UHFFFAOYSA-N -1 3 342.754 3.432 20 30 EGEDHM N#Cc1cc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)cs1 ZINC001197649406 1368863083 /nfs/dbraw/zinc/86/30/83/1368863083.db2.gz LQOSGFZCCWHDNV-UHFFFAOYSA-N -1 3 330.793 3.354 20 30 EGEDHM CC(=O)Nc1ccc([O-])c(NC(=S)Nc2cccc(C#N)c2)c1 ZINC001197722588 1368881218 /nfs/dbraw/zinc/88/12/18/1368881218.db2.gz CQHPRYDTWCVUFO-UHFFFAOYSA-N -1 3 326.381 3.031 20 30 EGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2Cl)cn1 ZINC001198320860 1369008615 /nfs/dbraw/zinc/00/86/15/1369008615.db2.gz FXAZBXFCVNMZIW-UHFFFAOYSA-N -1 3 342.207 3.369 20 30 EGEDHM C[C@H](CCCNc1cccc(F)c1C#N)NC(=O)c1ccccc1[O-] ZINC001114841791 1370109629 /nfs/dbraw/zinc/10/96/29/1370109629.db2.gz CFELWVYFYMQGOR-CYBMUJFWSA-N -1 3 341.386 3.414 20 30 EGEDHM N#Cc1nc(Cl)c(Nc2cc([O-])cc(C(F)(F)F)c2)nc1C#N ZINC001210823812 1372433250 /nfs/dbraw/zinc/43/32/50/1372433250.db2.gz GNOBQVHNPUSLPS-UHFFFAOYSA-N -1 3 339.664 3.341 20 30 EGEDHM CC(C)(C)OC(=O)Cn1cc([N-]c2onc(C(C)(C)C)c2C#N)cn1 ZINC001210830466 1372435000 /nfs/dbraw/zinc/43/50/00/1372435000.db2.gz XVEZWKYLFRCUKS-UHFFFAOYSA-N -1 3 345.403 3.126 20 30 EGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001326515741 1388226595 /nfs/dbraw/zinc/22/65/95/1388226595.db2.gz DPSCDKOHNGYNIF-MRVPVSSYSA-N -1 3 342.770 3.387 20 30 EGEDHM N#Cc1sccc1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC001125903612 1372886029 /nfs/dbraw/zinc/88/60/29/1372886029.db2.gz PJIVSURSRFVGGT-UHFFFAOYSA-N -1 3 344.396 3.453 20 30 EGEDHM N#Cc1ncc(Br)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373566 1372894891 /nfs/dbraw/zinc/89/48/91/1372894891.db2.gz MCKWZSFXFKGKBD-UHFFFAOYSA-N -1 3 326.100 3.443 20 30 EGEDHM C#C[C@@H](CC)Oc1cc(OC)cc2oc3c([O-])ccc(O)c3c(=O)c12 ZINC001227643168 1375458429 /nfs/dbraw/zinc/45/84/29/1375458429.db2.gz BNBCVUCGIKQGCF-JTQLQIEISA-N -1 3 340.331 3.157 20 30 EGEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)O1 ZINC001227690964 1375461534 /nfs/dbraw/zinc/46/15/34/1375461534.db2.gz LLJBUDZNXVEFMA-BDJLRTHQSA-N -1 3 332.360 3.147 20 30 EGEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2OC)O1 ZINC001229337938 1375813439 /nfs/dbraw/zinc/81/34/39/1375813439.db2.gz OSEBFBVUNPXWID-YJBOKZPZSA-N -1 3 344.415 3.156 20 30 EGEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2OC)O1 ZINC001229337938 1375813445 /nfs/dbraw/zinc/81/34/45/1375813445.db2.gz OSEBFBVUNPXWID-YJBOKZPZSA-N -1 3 344.415 3.156 20 30 EGEDHM C#C[C@@H](Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC)c1ccccc1 ZINC001231091646 1376201140 /nfs/dbraw/zinc/20/11/40/1376201140.db2.gz YGPFLQAYEOZCQW-GFCCVEGCSA-N -1 3 331.755 3.371 20 30 EGEDHM CC[C@H]1CN(Cc2ccc(C#N)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC001233386391 1376634104 /nfs/dbraw/zinc/63/41/04/1376634104.db2.gz RSXMMMGWOQNUFW-INIZCTEOSA-N -1 3 345.443 3.095 20 30 EGEDHM C=C[C@@H]1O[C@H](Oc2cc(Cl)c([O-])cc2C)[C@H]2OC(C)(C)O[C@@H]12 ZINC001233591782 1376678226 /nfs/dbraw/zinc/67/82/26/1376678226.db2.gz BKWDWYZORNBNFQ-CYUUQNCZSA-N -1 3 326.776 3.164 20 30 EGEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1C=CCN(C(=O)OC(C)(C)C)C1 ZINC001233802523 1376719569 /nfs/dbraw/zinc/71/95/69/1376719569.db2.gz HCSYIBACEXZGQP-YRIIZNAFSA-N -1 3 348.399 3.058 20 30 EGEDHM COc1cc(/C=N/[O-])ccc1OC1CCN(c2ccc(C)cn2)CC1 ZINC001233803428 1376721360 /nfs/dbraw/zinc/72/13/60/1376721360.db2.gz OTVVOTUJRTTYBQ-FYJGNVAPSA-N -1 3 341.411 3.255 20 30 EGEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CCC(F)(F)F)c(C)c1[O-] ZINC001143141024 1378546107 /nfs/dbraw/zinc/54/61/07/1378546107.db2.gz QXQXJGXWHVDXHW-UHFFFAOYSA-N -1 3 344.289 3.030 20 30 EGEDHM C=CCCCCCCCCC(=O)Nc1n[n-]c(SC)c1C(N)=O ZINC001144794401 1378772875 /nfs/dbraw/zinc/77/28/75/1378772875.db2.gz JGDZHKCGFGAYAS-UHFFFAOYSA-N -1 3 338.477 3.476 20 30 EGEDHM C=CCN(C(=O)c1cc(=O)c2ccc(OC)cc2[n-]1)C1CCCCC1 ZINC001154115209 1380211921 /nfs/dbraw/zinc/21/19/21/1380211921.db2.gz PDFCPAKAYYCHRE-UHFFFAOYSA-N -1 3 340.423 3.498 20 30 EGEDHM CCOc1nccnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155914837 1380505192 /nfs/dbraw/zinc/50/51/92/1380505192.db2.gz YMDBXUSQVMSLCG-UHFFFAOYSA-N -1 3 342.277 3.022 20 30 EGEDHM N#Cc1ccnc(C(=O)[N-]c2nnc(-c3c(F)cccc3F)s2)c1 ZINC001287632341 1381299988 /nfs/dbraw/zinc/29/99/88/1381299988.db2.gz NCNRAAXYEQTUFJ-UHFFFAOYSA-N -1 3 343.318 3.002 20 30 EGEDHM Cc1ncc(Nc2c(C#N)c(Cl)nc3cccc(Cl)c32)c(=O)[n-]1 ZINC001162305558 1382726998 /nfs/dbraw/zinc/72/69/98/1382726998.db2.gz HZCZKUANDBFWPK-LLVKDONJSA-N -1 3 346.177 3.223 20 30 EGEDHM N#CCc1cccnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163765151 1383119956 /nfs/dbraw/zinc/11/99/56/1383119956.db2.gz MUDVWICOMOEVSL-UHFFFAOYSA-N -1 3 336.273 3.294 20 30 EGEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H]1[C@H](C)CCC ZINC001342197368 1390584256 /nfs/dbraw/zinc/58/42/56/1390584256.db2.gz HFWGTOCECUUJIL-OCCSQVGLSA-N -1 3 331.420 3.230 20 30 EGEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](CCC)C1 ZINC001342798512 1390655506 /nfs/dbraw/zinc/65/55/06/1390655506.db2.gz TVSSYSUAMQCLCX-AWEZNQCLSA-N -1 3 342.447 3.033 20 30 EGEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H](CCC)C1 ZINC001342798522 1390655555 /nfs/dbraw/zinc/65/55/55/1390655555.db2.gz TVSSYSUAMQCLCX-CQSZACIVSA-N -1 3 342.447 3.033 20 30 EGEDHM CCCc1c(C([O-])=C(C#N)c2nccn2C)cnn1-c1ccccc1 ZINC001342924296 1390673173 /nfs/dbraw/zinc/67/31/73/1390673173.db2.gz LHEKZQVCQBOSBF-OAHLLOKOSA-N -1 3 333.395 3.048 20 30 EGEDHM Cc1nc(C)c(C(C)N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000823958852 1446110115 /nfs/dbraw/zinc/11/01/15/1446110115.db2.gz ZCVIZAZMQGDLCX-UHFFFAOYSA-N -1 3 347.835 3.430 20 30 EGEDHM C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824539139 1446766413 /nfs/dbraw/zinc/76/64/13/1446766413.db2.gz LSRNBEXRBKRAJC-ZDUSSCGKSA-N -1 3 330.395 3.078 20 30 EGEDHM C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824539139 1446766416 /nfs/dbraw/zinc/76/64/16/1446766416.db2.gz LSRNBEXRBKRAJC-ZDUSSCGKSA-N -1 3 330.395 3.078 20 30 EGEDHM C=CCCOCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823899380 946508748 /nfs/dbraw/zinc/50/87/48/946508748.db2.gz VEHCADZCHIWODI-UHFFFAOYSA-N -1 3 349.822 3.222 20 30 EGEDHM C=CCCOCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823899380 946508759 /nfs/dbraw/zinc/50/87/59/946508759.db2.gz VEHCADZCHIWODI-UHFFFAOYSA-N -1 3 349.822 3.222 20 30 EGEDHM C=C/C=C/CCNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001573316173 947268257 /nfs/dbraw/zinc/26/82/57/947268257.db2.gz SIAYJRNKYWAWCP-ONEGZZNKSA-N -1 3 349.442 3.337 20 30 EGEDHM C=C/C=C/CCNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001573316173 947268268 /nfs/dbraw/zinc/26/82/68/947268268.db2.gz SIAYJRNKYWAWCP-ONEGZZNKSA-N -1 3 349.442 3.337 20 30 EGEDHM C=CCCC(C)(C)CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001573327526 947394330 /nfs/dbraw/zinc/39/43/30/947394330.db2.gz HKVKKNAZHDSORY-UHFFFAOYSA-N -1 3 332.383 3.120 20 30 EGEDHM C=CCCC(C)(C)CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001573327526 947394343 /nfs/dbraw/zinc/39/43/43/947394343.db2.gz HKVKKNAZHDSORY-UHFFFAOYSA-N -1 3 332.383 3.120 20 30 EGEDHM C[C@H](CC#N)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001574471437 949535984 /nfs/dbraw/zinc/53/59/84/949535984.db2.gz MUELAPDGRHMWDB-GFCCVEGCSA-N -1 3 348.366 3.147 20 30 EGEDHM C[C@H](CC#N)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001574471437 949536000 /nfs/dbraw/zinc/53/60/00/949536000.db2.gz MUELAPDGRHMWDB-GFCCVEGCSA-N -1 3 348.366 3.147 20 30 EGEDHM C=CCOC[C@H](NCc1ccc(-c2ccccc2)cc1OC)C(=O)[O-] ZINC000901808546 980529644 /nfs/dbraw/zinc/52/96/44/980529644.db2.gz GSLXOVQEJKCWPL-SFHVURJKSA-N -1 3 341.407 3.108 20 30 EGEDHM C#Cc1ccc(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1 ZINC001588516805 983562366 /nfs/dbraw/zinc/56/23/66/983562366.db2.gz CFVHCGSRIPPMGZ-INIZCTEOSA-N -1 3 334.419 3.077 20 30 EGEDHM COc1ccccc1[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001599704034 991265800 /nfs/dbraw/zinc/26/58/00/991265800.db2.gz LNBNLHUBGDDYIL-OAHLLOKOSA-N -1 3 336.391 3.255 20 30 EGEDHM CCc1ccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c([O-])c1 ZINC000328588508 258044794 /nfs/dbraw/zinc/04/47/94/258044794.db2.gz RQTPACYCLCVLOH-LJQANCHMSA-N -1 3 336.391 3.040 20 30 EGEDHM CC(C)CSCCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000339451568 141114144 /nfs/dbraw/zinc/11/41/44/141114144.db2.gz WZXLZLJVOZWQLH-UHFFFAOYSA-N -1 3 346.905 3.269 20 30 EGEDHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000342793209 141149021 /nfs/dbraw/zinc/14/90/21/141149021.db2.gz RHAOOZHBBTUQIK-UHFFFAOYSA-N -1 3 334.372 3.287 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cc2cccc(F)c2o1 ZINC000344753367 144220483 /nfs/dbraw/zinc/22/04/83/144220483.db2.gz MUQPREULWCDNRY-SECBINFHSA-N -1 3 334.328 3.076 20 30 EGEDHM COc1ccc([N-]C(=O)c2c(F)cc(C#N)cc2F)cc1[N+](=O)[O-] ZINC000326420760 154183397 /nfs/dbraw/zinc/18/33/97/154183397.db2.gz BXSGOSIABFHZFE-UHFFFAOYSA-N -1 3 333.250 3.006 20 30 EGEDHM N#Cc1cnccc1[N-]C(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000355514246 166228475 /nfs/dbraw/zinc/22/84/75/166228475.db2.gz CEERMDJSVXOCOQ-UHFFFAOYSA-N -1 3 342.330 3.029 20 30 EGEDHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000355879462 166336395 /nfs/dbraw/zinc/33/63/95/166336395.db2.gz KFRVIVWGBHJLDX-UHFFFAOYSA-N -1 3 349.799 3.000 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1C ZINC000412962798 270047206 /nfs/dbraw/zinc/04/72/06/270047206.db2.gz MDZPKRLMPSWVIG-UHFFFAOYSA-N -1 3 345.349 3.434 20 30 EGEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442241801 270052124 /nfs/dbraw/zinc/05/21/24/270052124.db2.gz LRKVANQTXALLRE-UHFFFAOYSA-N -1 3 328.727 3.291 20 30 EGEDHM CCN(Cc1ccccc1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000299287398 266136209 /nfs/dbraw/zinc/13/62/09/266136209.db2.gz MOPCZLASVDOJHD-UHFFFAOYSA-N -1 3 337.423 3.257 20 30 EGEDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185035402 266348012 /nfs/dbraw/zinc/34/80/12/266348012.db2.gz DCSPUTIMJKAPTB-STQMWFEESA-N -1 3 344.889 3.164 20 30 EGEDHM CC(C)c1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)CC2 ZINC000428379938 266959433 /nfs/dbraw/zinc/95/94/33/266959433.db2.gz XLGUATLTSMCRMV-INIZCTEOSA-N -1 3 341.436 3.042 20 30 EGEDHM CCN(Cc1occc1C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000412794805 267072433 /nfs/dbraw/zinc/07/24/33/267072433.db2.gz JXDCZWIAGZKBBO-UHFFFAOYSA-N -1 3 341.411 3.158 20 30 EGEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)CC(F)(F)F ZINC000397053988 267163543 /nfs/dbraw/zinc/16/35/43/267163543.db2.gz VZBQPIZPKQEYIP-QMMMGPOBSA-N -1 3 340.754 3.078 20 30 EGEDHM CC[C@@H]1CCC[C@@H]1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000452516519 267202144 /nfs/dbraw/zinc/20/21/44/267202144.db2.gz HJHMQFHFYSJQMK-HUUCEWRRSA-N -1 3 329.444 3.151 20 30 EGEDHM CCc1c([N-]C(=O)COc2ccc(C#N)cc2)onc1C(F)(F)F ZINC000274667093 267269629 /nfs/dbraw/zinc/26/96/29/267269629.db2.gz GKSNRPMEJJVTAT-UHFFFAOYSA-N -1 3 339.273 3.145 20 30 EGEDHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435442081 267817217 /nfs/dbraw/zinc/81/72/17/267817217.db2.gz JHZWIMYYVCPQNT-MRVPVSSYSA-N -1 3 326.365 3.019 20 30 EGEDHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2cccnc2C#N)C(C)(C)C)c1 ZINC000428416240 268056297 /nfs/dbraw/zinc/05/62/97/268056297.db2.gz FDRJMCXKARZPMO-QGZVFWFLSA-N -1 3 343.452 3.327 20 30 EGEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000436162710 268103609 /nfs/dbraw/zinc/10/36/09/268103609.db2.gz PBZPONYUCPGEIX-SNAWJCMRSA-N -1 3 326.337 3.327 20 30 EGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000443256340 268159909 /nfs/dbraw/zinc/15/99/09/268159909.db2.gz WVLLPUAXTJOHRL-CZUORRHYSA-N -1 3 346.839 3.121 20 30 EGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c(F)c1 ZINC000194683878 268161774 /nfs/dbraw/zinc/16/17/74/268161774.db2.gz RZNJDOAHWRMFTQ-UHFFFAOYSA-N -1 3 342.754 3.432 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000523571545 268255974 /nfs/dbraw/zinc/25/59/74/268255974.db2.gz YJYUFLBNZJNWRG-HNNXBMFYSA-N -1 3 344.411 3.096 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)s1 ZINC000435420212 268258711 /nfs/dbraw/zinc/25/87/11/268258711.db2.gz BEHXOZBSJNSBEC-QWHCGFSZSA-N -1 3 338.841 3.108 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3sccc32)c(F)c1 ZINC000162013117 307908484 /nfs/dbraw/zinc/90/84/84/307908484.db2.gz VWHVPUSXLSTDIZ-ZDUSSCGKSA-N -1 3 336.413 3.115 20 30 EGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000548772640 315045454 /nfs/dbraw/zinc/04/54/54/315045454.db2.gz JHQMXZWXEBSWJI-UHFFFAOYSA-N -1 3 347.422 3.318 20 30 EGEDHM CC1([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)CCC(F)(F)CC1 ZINC000612140318 460552814 /nfs/dbraw/zinc/55/28/14/460552814.db2.gz HEJQLJMHCOOHEX-UHFFFAOYSA-N -1 3 348.802 3.458 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)CC(C)(C)C ZINC000052818658 453846441 /nfs/dbraw/zinc/84/64/41/453846441.db2.gz YVXTYRKHQUWJMT-UHFFFAOYSA-N -1 3 331.460 3.127 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c(C)n1C(C)C ZINC000041510113 453970020 /nfs/dbraw/zinc/97/00/20/453970020.db2.gz UKUSQMGENIXYDE-MRXNPFEDSA-N -1 3 339.443 3.494 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC1CC1)c1ccccc1 ZINC000084243455 453978441 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460119547 /nfs/dbraw/zinc/11/95/47/460119547.db2.gz UHVZHXAGEOFARY-INIZCTEOSA-N -1 3 349.434 3.000 20 30 EGEDHM CCCn1cc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)nn1 ZINC000611228545 460312100 /nfs/dbraw/zinc/31/21/00/460312100.db2.gz RBECAPUEXMFTGX-LBPRGKRZSA-N -1 3 329.429 3.335 20 30 EGEDHM C[C@@H](c1ccccc1)n1ccc([N-]c2cc(C#N)ccc2[N+](=O)[O-])n1 ZINC000613428905 460944956 /nfs/dbraw/zinc/94/49/56/460944956.db2.gz CDXWJLNRWDNHBV-ZDUSSCGKSA-N -1 3 333.351 3.438 20 30 EGEDHM C=C[C@@H](C(=O)[O-])N(C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000652391737 461171582 /nfs/dbraw/zinc/17/15/82/461171582.db2.gz JEMKJLSIZJGMKZ-KRWDZBQOSA-N -1 3 341.407 3.345 20 30 EGEDHM COCCN(CCC(=O)[O-])Cc1ccc(-c2ccccc2C#N)cc1 ZINC000737794424 574815314 /nfs/dbraw/zinc/81/53/14/574815314.db2.gz NWEMKPMRWVIFDC-UHFFFAOYSA-N -1 3 338.407 3.148 20 30 EGEDHM Cc1cc(Br)ccc1C/N=C/c1c([O-])c(C)ncc1CO ZINC000731938111 575223042 /nfs/dbraw/zinc/22/30/42/575223042.db2.gz RBBDWUXPSOUPPL-QGMBQPNBSA-N -1 3 349.228 3.278 20 30 EGEDHM COc1cc(C=NNc2cnnc3ccccc32)cc(Cl)c1[O-] ZINC000733748306 575388040 /nfs/dbraw/zinc/38/80/40/575388040.db2.gz QFFDGJAMFNMGOQ-UHFFFAOYSA-N -1 3 328.759 3.443 20 30 EGEDHM CC(C)Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735848825 575722341 /nfs/dbraw/zinc/72/23/41/575722341.db2.gz AJADDTCYYYEXLR-UHFFFAOYSA-N -1 3 346.394 3.189 20 30 EGEDHM CC(C)Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735848825 575722343 /nfs/dbraw/zinc/72/23/43/575722343.db2.gz AJADDTCYYYEXLR-UHFFFAOYSA-N -1 3 346.394 3.189 20 30 EGEDHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C#N)C1CCCCC1 ZINC000736634974 575993324 /nfs/dbraw/zinc/99/33/24/575993324.db2.gz NYIXXMASPZSIRR-OAHLLOKOSA-N -1 3 326.404 3.150 20 30 EGEDHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C#N)C1CCCCC1 ZINC000736634974 575993328 /nfs/dbraw/zinc/99/33/28/575993328.db2.gz NYIXXMASPZSIRR-OAHLLOKOSA-N -1 3 326.404 3.150 20 30 EGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000737113703 576120105 /nfs/dbraw/zinc/12/01/05/576120105.db2.gz FFOBFAPBFQQVCP-VMPITWQZSA-N -1 3 345.362 3.253 20 30 EGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000737113703 576120108 /nfs/dbraw/zinc/12/01/08/576120108.db2.gz FFOBFAPBFQQVCP-VMPITWQZSA-N -1 3 345.362 3.253 20 30 EGEDHM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC000737948714 576275754 /nfs/dbraw/zinc/27/57/54/576275754.db2.gz KWMQHNDYCVUTCI-APPDUMDISA-N -1 3 328.343 3.182 20 30 EGEDHM N#Cc1ccc([C@@H](NCc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000739105783 576378200 /nfs/dbraw/zinc/37/82/00/576378200.db2.gz JDHGZSFKOVEDKT-OAHLLOKOSA-N -1 3 334.297 3.493 20 30 EGEDHM N#Cc1ccc([C@H](NCc2cccc(OCC(F)F)c2)C(=O)[O-])cc1 ZINC000739106602 576378369 /nfs/dbraw/zinc/37/83/69/576378369.db2.gz NXVSVXJYOZFWEN-KRWDZBQOSA-N -1 3 346.333 3.118 20 30 EGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@H]2c2c(F)cccc2Cl)c1[O-] ZINC000740616378 576607311 /nfs/dbraw/zinc/60/73/11/576607311.db2.gz LDAYXUQROJFQST-HFPILUCYSA-N -1 3 334.778 3.355 20 30 EGEDHM Fc1ccc(C#CCNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000822761187 607331887 /nfs/dbraw/zinc/33/18/87/607331887.db2.gz BIKVTMPQUXYXKC-UHFFFAOYSA-N -1 3 327.750 3.123 20 30 EGEDHM Fc1ccc(C#CCNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000822761187 607331888 /nfs/dbraw/zinc/33/18/88/607331888.db2.gz BIKVTMPQUXYXKC-UHFFFAOYSA-N -1 3 327.750 3.123 20 30 EGEDHM C=CCC[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819735045 607404900 /nfs/dbraw/zinc/40/49/00/607404900.db2.gz ZDGWIDDEBZLSTA-SFHVURJKSA-N -1 3 347.422 3.233 20 30 EGEDHM C=CCC[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819735045 607404901 /nfs/dbraw/zinc/40/49/01/607404901.db2.gz ZDGWIDDEBZLSTA-SFHVURJKSA-N -1 3 347.422 3.233 20 30 EGEDHM C[C@H](CN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC000833515987 604868560 /nfs/dbraw/zinc/86/85/60/604868560.db2.gz CQDHSWHSHCVSCX-GFCCVEGCSA-N -1 3 341.329 3.122 20 30 EGEDHM FC(F)(F)c1ccccc1ON=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826369211 607843897 /nfs/dbraw/zinc/84/38/97/607843897.db2.gz SEAZRQMBZZIOMP-UHFFFAOYSA-N -1 3 333.273 3.298 20 30 EGEDHM FC(F)(F)c1ccccc1ON=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826369211 607843898 /nfs/dbraw/zinc/84/38/98/607843898.db2.gz SEAZRQMBZZIOMP-UHFFFAOYSA-N -1 3 333.273 3.298 20 30 EGEDHM CCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825631513 607915352 /nfs/dbraw/zinc/91/53/52/607915352.db2.gz BVZGXMVVTBGTEP-WMZJFQQLSA-N -1 3 338.342 3.301 20 30 EGEDHM CCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825631513 607915353 /nfs/dbraw/zinc/91/53/53/607915353.db2.gz BVZGXMVVTBGTEP-WMZJFQQLSA-N -1 3 338.342 3.301 20 30 EGEDHM CC(CSC(C)(C)C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824449900 608540620 /nfs/dbraw/zinc/54/06/20/608540620.db2.gz QIXVEDZUWPIGOF-UHFFFAOYSA-N -1 3 339.856 3.235 20 30 EGEDHM CC(CSC(C)(C)C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824449900 608540622 /nfs/dbraw/zinc/54/06/22/608540622.db2.gz QIXVEDZUWPIGOF-UHFFFAOYSA-N -1 3 339.856 3.235 20 30 EGEDHM O=C1c2ccsc2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475643 608881443 /nfs/dbraw/zinc/88/14/43/608881443.db2.gz MIFSRVAQOLBQHM-YFHOEESVSA-N -1 3 326.356 3.280 20 30 EGEDHM O=C1c2ccsc2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475643 608881445 /nfs/dbraw/zinc/88/14/45/608881445.db2.gz MIFSRVAQOLBQHM-YFHOEESVSA-N -1 3 326.356 3.280 20 30 EGEDHM C=CCN(Cc1ccccc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823919256 609427038 /nfs/dbraw/zinc/42/70/38/609427038.db2.gz AZUDPVUMRBJACM-UHFFFAOYSA-N -1 3 326.791 3.108 20 30 EGEDHM C=CCN(Cc1ccccc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823919256 609427040 /nfs/dbraw/zinc/42/70/40/609427040.db2.gz AZUDPVUMRBJACM-UHFFFAOYSA-N -1 3 326.791 3.108 20 30 EGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1ccccc1 ZINC000823915313 609498909 /nfs/dbraw/zinc/49/89/09/609498909.db2.gz UGYZIMYQWPYCBZ-HNNXBMFYSA-N -1 3 347.422 3.185 20 30 EGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)c1ccccc1 ZINC000823915313 609498911 /nfs/dbraw/zinc/49/89/11/609498911.db2.gz UGYZIMYQWPYCBZ-HNNXBMFYSA-N -1 3 347.422 3.185 20 30 EGEDHM C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])N1CCc2ccccc2C1 ZINC000075580908 1292399890 /nfs/dbraw/zinc/39/98/90/1292399890.db2.gz QYBMFKHSVMQZHL-PVGUKEHMSA-N -1 3 339.395 3.166 20 30 EGEDHM CCOC(=O)C[C@@H](C)C/N=C/c1cc(Br)ccc1[O-] ZINC000089574596 1292772623 /nfs/dbraw/zinc/77/26/23/1292772623.db2.gz KHGIBXOZALLSAF-VCBXAZPMSA-N -1 3 328.206 3.163 20 30 EGEDHM C=CCC1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCCC1 ZINC000832216227 1292973201 /nfs/dbraw/zinc/97/32/01/1292973201.db2.gz YSEZDLHXAQNLKA-CYBMUJFWSA-N -1 3 346.393 3.040 20 30 EGEDHM N#C[C@@H]1CN(Cc2c([O-])ccc3cc(Br)ccc32)CCO1 ZINC000106064978 1293047554 /nfs/dbraw/zinc/04/75/54/1293047554.db2.gz JMKMLJGEZDDSFS-CYBMUJFWSA-N -1 3 347.212 3.032 20 30 EGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3)n2)c1 ZINC000127801968 1293574936 /nfs/dbraw/zinc/57/49/36/1293574936.db2.gz ATTYHNBNWMJDLW-QGZVFWFLSA-N -1 3 344.374 3.142 20 30 EGEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000140308298 1293849843 /nfs/dbraw/zinc/84/98/43/1293849843.db2.gz OPICFVJOVGVQEW-ZDUSSCGKSA-N -1 3 327.409 3.284 20 30 EGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cccc(OC(C)C)n2)c1 ZINC000167800554 1294367235 /nfs/dbraw/zinc/36/72/35/1294367235.db2.gz LHXNBKCWSBEEPD-OAHLLOKOSA-N -1 3 337.379 3.138 20 30 EGEDHM C=CCCN(OCc1ccccc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000189909799 1295551107 /nfs/dbraw/zinc/55/11/07/1295551107.db2.gz YYPIFHWFZYBIKQ-UHFFFAOYSA-N -1 3 349.390 3.073 20 30 EGEDHM N#CC(=C([O-])C=CSc1ccccc1)c1nnc2n1CCCCC2 ZINC000195287547 1296052944 /nfs/dbraw/zinc/05/29/44/1296052944.db2.gz MEDRCCPUHAPZJZ-HBIYDYFMSA-N -1 3 338.436 3.487 20 30 EGEDHM N#CC(=C([O-])C=CSCc1ccco1)c1nnc2n1CCCCC2 ZINC000255139139 1296503400 /nfs/dbraw/zinc/50/34/00/1296503400.db2.gz PIOBBMMCOVPJLS-JKEYDSJLSA-N -1 3 342.424 3.221 20 30 EGEDHM Cc1ccccc1C1N=NC(=S)N1N=Cc1cc(F)ccc1[O-] ZINC000755563383 1300359308 /nfs/dbraw/zinc/35/93/08/1300359308.db2.gz RYIWYMBEPUXXOP-UHFFFAOYSA-N -1 3 328.372 3.269 20 30 EGEDHM [O-]c1cccc(Cl)c1C=NN1C(=S)N=NC1[C@@H]1CCCCO1 ZINC000755753690 1300391306 /nfs/dbraw/zinc/39/13/06/1300391306.db2.gz IVOPNSZAPGSMQB-LBPRGKRZSA-N -1 3 338.820 3.050 20 30 EGEDHM COc1cc(C=NNc2cc(C)ccn2)cc(Br)c1[O-] ZINC000755905182 1300413769 /nfs/dbraw/zinc/41/37/69/1300413769.db2.gz GTBDIIFFJRJUKW-UHFFFAOYSA-N -1 3 336.189 3.313 20 30 EGEDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(C#N)ccc2F)c1 ZINC000756731636 1300555313 /nfs/dbraw/zinc/55/53/13/1300555313.db2.gz HMCMXHAHJALFPW-NSHDSACASA-N -1 3 328.343 3.040 20 30 EGEDHM COc1cc(Cl)cc(C=NNc2cc(C#N)cc(Cl)n2)c1[O-] ZINC000758881482 1300971238 /nfs/dbraw/zinc/97/12/38/1300971238.db2.gz BBCLZPIUZOBOPC-UHFFFAOYSA-N -1 3 337.166 3.420 20 30 EGEDHM COc1cc(C(=O)/C=C\c2c(C)nn(C)c2Cl)c(OC)cc1[O-] ZINC000763104309 1301823705 /nfs/dbraw/zinc/82/37/05/1301823705.db2.gz LGONZZWQGAZQBF-WAYWQWQTSA-N -1 3 336.775 3.001 20 30 EGEDHM CCC(=NNC(=S)NCc1ccccc1)c1ccc([O-])c(F)c1 ZINC000764659090 1302113187 /nfs/dbraw/zinc/11/31/87/1302113187.db2.gz NFVNXTDWLFOGRE-UHFFFAOYSA-N -1 3 331.416 3.310 20 30 EGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(-c2ccco2)s1 ZINC000766279064 1302420708 /nfs/dbraw/zinc/42/07/08/1302420708.db2.gz XRABRFBZDKWSDV-LLVKDONJSA-N -1 3 337.360 3.364 20 30 EGEDHM CC(C)[C@@H]1CC(N=Nc2nc3c(cnn3C)c(=O)[n-]2)c2ccccc21 ZINC000766449737 1302454627 /nfs/dbraw/zinc/45/46/27/1302454627.db2.gz BTURBOWJEFNBIM-ZDUSSCGKSA-N -1 3 336.399 3.028 20 30 EGEDHM N#Cc1ccc(N2CCN(Cc3c([O-])cccc3Cl)CC2)c(F)c1 ZINC000769147381 1303055551 /nfs/dbraw/zinc/05/55/51/1303055551.db2.gz PPKRNBXKTCARHZ-UHFFFAOYSA-N -1 3 345.805 3.379 20 30 EGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)c(C)s2)cc1 ZINC000774049542 1303768068 /nfs/dbraw/zinc/76/80/68/1303768068.db2.gz BDIZDOPZTALNPS-CQSZACIVSA-N -1 3 327.409 3.284 20 30 EGEDHM C#C[C@H](N[C@H](C)c1cc(Br)cc(F)c1[O-])[C@@H]1CCCO1 ZINC000775571341 1303986065 /nfs/dbraw/zinc/98/60/65/1303986065.db2.gz FRQJASLFCPAMHO-IIMNLJJBSA-N -1 3 342.208 3.125 20 30 EGEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2nc(C(F)(F)F)cs2)c1[O-] ZINC000775741627 1304026761 /nfs/dbraw/zinc/02/67/61/1304026761.db2.gz TWZPXFGEUXUWKO-IBUAMCLQSA-N -1 3 345.346 3.243 20 30 EGEDHM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC000775931472 1304062980 /nfs/dbraw/zinc/06/29/80/1304062980.db2.gz XZZVMLPDHDPSTA-LLVKDONJSA-N -1 3 325.792 3.016 20 30 EGEDHM Cc1cc(C)c2[n-]cc(C(=O)N3CCc4ccc(C#N)cc43)c(=O)c2c1 ZINC000776182270 1304108651 /nfs/dbraw/zinc/10/86/51/1304108651.db2.gz NAPZITBOYJWGNU-UHFFFAOYSA-N -1 3 343.386 3.220 20 30 EGEDHM COc1cc(C(=O)/C=C\c2c(OC)cccc2OC)c(OC)cc1[O-] ZINC000776189099 1304109368 /nfs/dbraw/zinc/10/93/68/1304109368.db2.gz AQQHMALRZXSDOB-HJWRWDBZSA-N -1 3 344.363 3.323 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1cc2ccccc2o1 ZINC000786131629 1305520675 /nfs/dbraw/zinc/52/06/75/1305520675.db2.gz LOCUYFLFOTYPJR-NSHDSACASA-N -1 3 344.367 3.483 20 30 EGEDHM COC(=O)c1cc(N=Cc2ccc(O)c([O-])c2O)cc(Cl)c1F ZINC000790099830 1306261561 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O=C(CC1CCN(CC(F)(F)F)CC1)N([O-])Cc1ccc(F)cc1 ZINC000904178370 1317804167 /nfs/dbraw/zinc/80/41/67/1317804167.db2.gz HDPKQWYANQTPPO-UHFFFAOYSA-N -1 3 348.340 3.208 20 30 EGEDHM O=C([C@H]1CCn2ccnc2C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180191 1317804844 /nfs/dbraw/zinc/80/48/44/1317804844.db2.gz IOFBNCLJWPJBRW-NSHDSACASA-N -1 3 340.210 3.170 20 30 EGEDHM O=C1C[C@H](/N=C\c2cc(Cl)ccc2[O-])CN1c1ccccc1F ZINC000812444479 1318395149 /nfs/dbraw/zinc/39/51/49/1318395149.db2.gz AMGYCCKMNBGNRZ-CCSWUNFSSA-N -1 3 332.762 3.409 20 30 EGEDHM CCCCOc1cccc(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000915982051 1319579012 /nfs/dbraw/zinc/57/90/12/1319579012.db2.gz NNKQQBKKHWGSSA-UDWIEESQSA-N -1 3 328.412 3.386 20 30 EGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000916905284 1319723764 /nfs/dbraw/zinc/72/37/64/1319723764.db2.gz KBYSMCJYJDDEHW-LBPRGKRZSA-N -1 3 343.726 3.209 20 30 EGEDHM CCCc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n[nH]1 ZINC000916939540 1319726433 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EGEDHM C=CCN1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000932141321 1329788267 /nfs/dbraw/zinc/78/82/67/1329788267.db2.gz VOLMFHYKOSXBBD-UHFFFAOYSA-N -1 3 329.227 3.079 20 30 EGEDHM C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066428675 1353108085 /nfs/dbraw/zinc/10/80/85/1353108085.db2.gz KDLHHMCTLZEPTJ-HOTGVXAUSA-N -1 3 344.455 3.105 20 30 EGEDHM N#Cc1cc(NC(=O)c2ccc(CN3CCCCC3)o2)ccc1[O-] ZINC001189750740 1367102640 /nfs/dbraw/zinc/10/26/40/1367102640.db2.gz SMAOBVAHEZONSH-UHFFFAOYSA-N -1 3 325.368 3.095 20 30 EGEDHM C=CCC1(S(=O)(=O)[N-]c2ccncc2Oc2ccccc2)CC1 ZINC001190765730 1367345987 /nfs/dbraw/zinc/34/59/87/1367345987.db2.gz COQXAKXFZCFZKZ-UHFFFAOYSA-N -1 3 330.409 3.146 20 30 EGEDHM C=CCC1(S(=O)(=O)Nc2cccc([O-])c2Br)CC1 ZINC001190815184 1367357013 /nfs/dbraw/zinc/35/70/13/1367357013.db2.gz DQXUYMFESMPQPL-UHFFFAOYSA-N -1 3 332.219 3.005 20 30 EGEDHM C=CCOc1ccccc1[C@H](C)NC(=O)c1ccc(=O)[n-]c1Cl ZINC001190918753 1367382373 /nfs/dbraw/zinc/38/23/73/1367382373.db2.gz 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[O-]N=C(Nc1cnc2cccnc2n1)c1ccc(OC(F)(F)F)cc1 ZINC001155908754 1380504673 /nfs/dbraw/zinc/50/46/73/1380504673.db2.gz BINKLZMZMTZYPW-UHFFFAOYSA-N -1 3 349.272 3.171 20 30 EGEDHM CCc1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nn1 ZINC001155914476 1380505266 /nfs/dbraw/zinc/50/52/66/1380505266.db2.gz SANHCLNFAAWHJZ-UHFFFAOYSA-N -1 3 326.278 3.186 20 30 EGEDHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@H](CC#N)c2ccccc2)[n-]n1 ZINC001162890091 1382905842 /nfs/dbraw/zinc/90/58/42/1382905842.db2.gz JESQTWMOCJEMKV-CYBMUJFWSA-N -1 3 340.383 3.001 20 30 EGEDHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@H](CC#N)c2ccccc2)n[n-]1 ZINC001162890091 1382905848 /nfs/dbraw/zinc/90/58/48/1382905848.db2.gz JESQTWMOCJEMKV-CYBMUJFWSA-N -1 3 340.383 3.001 20 30 EGEDHM N#CCCN(Cc1ccco1)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001167558599 1383668764 /nfs/dbraw/zinc/66/87/64/1383668764.db2.gz QFDMLTVMQJODGD-UHFFFAOYSA-N -1 3 334.379 3.358 20 30 EGEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)ccc1Cl ZINC001174403165 1385105767 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EGEDHM C[C@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(C#N)cc1 ZINC000824528787 1427342758 /nfs/dbraw/zinc/34/27/58/1427342758.db2.gz CEMRCMRCNURVHP-RYUDHWBXSA-N -1 3 336.374 3.289 20 30 EGEDHM C=C(C)C[C@H](C)C(=O)NCC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC001756892864 1441072682 /nfs/dbraw/zinc/07/26/82/1441072682.db2.gz XKDSUVARETUAKE-HNNXBMFYSA-N -1 3 344.455 3.011 20 30 EGEDHM C[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC000820451881 945455555 /nfs/dbraw/zinc/45/55/55/945455555.db2.gz XZNPMDOHCUYZKY-SECBINFHSA-N -1 3 326.310 3.190 20 30 EGEDHM C[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC000820451881 945455564 /nfs/dbraw/zinc/45/55/64/945455564.db2.gz XZNPMDOHCUYZKY-SECBINFHSA-N -1 3 326.310 3.190 20 30 EGEDHM C=CCCCCNc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001573334768 947464641 /nfs/dbraw/zinc/46/46/41/947464641.db2.gz IFUGXKOPXQFBPE-UHFFFAOYSA-N -1 3 337.387 3.217 20 30 EGEDHM C=CCCCCNc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001573334768 947464648 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C=C[C@@H](C(=O)[O-])N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001588663699 983796292 /nfs/dbraw/zinc/79/62/92/983796292.db2.gz JPUAEMNWCQKJGD-UONOGXRCSA-N -1 3 343.345 3.497 20 30 EGEDHM CCO[C@H]1C[C@@H](NCc2cccc(C(=O)[O-])c2C#N)C12CCCCC2 ZINC001596837168 985491118 /nfs/dbraw/zinc/49/11/18/985491118.db2.gz HRMBZSQHAVKCDK-MSOLQXFVSA-N -1 3 342.439 3.474 20 30 EGEDHM CN1CCC[C@H](N[C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC001598592520 993456380 /nfs/dbraw/zinc/45/63/80/993456380.db2.gz AATITZXAGRYNLX-HKUYNNGSSA-N -1 3 335.407 3.245 20 30 EGEDHM COc1cccc([C@@](C)(CC(=O)[O-])NCc2ccc(C)c(C#N)c2)c1 ZINC001599655958 994580233 /nfs/dbraw/zinc/58/02/33/994580233.db2.gz QVRZFOLOVVWWQU-HXUWFJFHSA-N -1 3 338.407 3.355 20 30 EGEDHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Cl ZINC001599558270 998135010 /nfs/dbraw/zinc/13/50/10/998135010.db2.gz CDDXINIEBVPIPU-KRWDZBQOSA-N -1 3 344.798 3.478 20 30 EGEDHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccs1 ZINC000055966957 214350487 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Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1C#N ZINC000318623955 154160088 /nfs/dbraw/zinc/16/00/88/154160088.db2.gz ZLSZVVAIBXSWRQ-UHFFFAOYSA-N -1 3 326.299 3.085 20 30 EGEDHM N#Cc1cc(C(=O)Nc2cc(F)ccc2[O-])cnc1C(F)(F)F ZINC000343886617 164059214 /nfs/dbraw/zinc/05/92/14/164059214.db2.gz KBNJOHXQGQFUHP-UHFFFAOYSA-N -1 3 325.221 3.069 20 30 EGEDHM CC(C)CSCCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000355715469 166288396 /nfs/dbraw/zinc/28/83/96/166288396.db2.gz FUOSEQCRJQVIDR-UHFFFAOYSA-N -1 3 346.905 3.269 20 30 EGEDHM N#Cc1cc([N+](=O)[O-])cnc1[N-]c1cnn(-c2ccc(Cl)cc2)c1 ZINC000355744897 166294919 /nfs/dbraw/zinc/29/49/19/166294919.db2.gz NOTDDKWYUBFKIW-UHFFFAOYSA-N -1 3 340.730 3.444 20 30 EGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C1CC1 ZINC000431564276 269954439 /nfs/dbraw/zinc/95/44/39/269954439.db2.gz LBGSJTOWARHCJE-KRWDZBQOSA-N -1 3 344.411 3.169 20 30 EGEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1F ZINC000298400455 266093638 /nfs/dbraw/zinc/09/36/38/266093638.db2.gz PIUJTLLUXYKNRU-UHFFFAOYSA-N -1 3 341.386 3.401 20 30 EGEDHM CCc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000298515765 266441557 /nfs/dbraw/zinc/44/15/57/266441557.db2.gz QTXQHUCNBHKPGE-UHFFFAOYSA-N -1 3 343.452 3.149 20 30 EGEDHM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428255603 267181335 /nfs/dbraw/zinc/18/13/35/267181335.db2.gz LAYXCYMEZDSQCS-LBPRGKRZSA-N -1 3 347.465 3.105 20 30 EGEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000443025494 267212605 /nfs/dbraw/zinc/21/26/05/267212605.db2.gz NIJLGAOMELRRFM-CYBMUJFWSA-N -1 3 332.400 3.169 20 30 EGEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1F ZINC000435439608 267223653 /nfs/dbraw/zinc/22/36/53/267223653.db2.gz VZLCTSXKJXMSNG-ZDUSSCGKSA-N -1 3 342.392 3.328 20 30 EGEDHM CCc1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)c([O-])c1 ZINC000436940093 267247590 /nfs/dbraw/zinc/24/75/90/267247590.db2.gz UFFXRLRJMKGVJW-UHFFFAOYSA-N -1 3 338.407 3.115 20 30 EGEDHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(C#N)cc1Cl ZINC000438891092 267395235 /nfs/dbraw/zinc/39/52/35/267395235.db2.gz CVOFRGLLXOPQTJ-UHFFFAOYSA-N -1 3 349.799 3.095 20 30 EGEDHM Cc1cc(Oc2ccc(C#N)cc2)ccc1N=c1ncnc2[nH][n-]cc1-2 ZINC000511740058 268013433 /nfs/dbraw/zinc/01/34/33/268013433.db2.gz TZNGAJAKDBKNDN-UHFFFAOYSA-N -1 3 342.362 3.442 20 30 EGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1(c2ccccc2)CC1 ZINC000443099477 268182625 /nfs/dbraw/zinc/18/26/25/268182625.db2.gz FELHLSHNFUEZNJ-UHFFFAOYSA-N -1 3 346.839 3.222 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(F)c1 ZINC000523571569 268259190 /nfs/dbraw/zinc/25/91/90/268259190.db2.gz ZRCLYJGFVCRHPE-SOUVJXGZSA-N -1 3 336.432 3.335 20 30 EGEDHM C[C@@H]1CCN(C(=O)c2ncc(C#N)cc2Cl)c2c([O-])cccc21 ZINC000345141397 278544320 /nfs/dbraw/zinc/54/43/20/278544320.db2.gz QHOXJMNUHNRIDZ-SNVBAGLBSA-N -1 3 327.771 3.466 20 30 EGEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccncc1 ZINC000121872831 307524199 /nfs/dbraw/zinc/52/41/99/307524199.db2.gz CONSDPIXWDOLLG-AWEZNQCLSA-N -1 3 335.816 3.036 20 30 EGEDHM N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cc(F)ccc1[O-] ZINC000154925790 307803714 /nfs/dbraw/zinc/80/37/14/307803714.db2.gz XSCDFRWEBDPRJG-UHFFFAOYSA-N -1 3 341.342 3.150 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1Cl ZINC000557833624 315537445 /nfs/dbraw/zinc/53/74/45/315537445.db2.gz QIMNDSFUPBSRPM-MRVPVSSYSA-N -1 3 345.207 3.498 20 30 EGEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000278547172 455840730 /nfs/dbraw/zinc/84/07/30/455840730.db2.gz YPELHIPHEOKJAW-AWEZNQCLSA-N -1 3 332.828 3.227 20 30 EGEDHM CCSCCCc1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000351000225 324152219 /nfs/dbraw/zinc/15/22/19/324152219.db2.gz UVZSFTDDYKJNJU-UHFFFAOYSA-N -1 3 346.456 3.130 20 30 EGEDHM C=C[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000465504846 458827131 /nfs/dbraw/zinc/82/71/31/458827131.db2.gz SJAUIPSXLDGGDU-VIFPVBQESA-N -1 3 328.846 3.316 20 30 EGEDHM CSC1(C/N=C/c2cc(Br)ccc2[O-])CCOCC1 ZINC000158162185 455275488 /nfs/dbraw/zinc/27/54/88/455275488.db2.gz ISGAAIYURPQZDP-CXUHLZMHSA-N -1 3 344.274 3.486 20 30 EGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000041521743 453969963 /nfs/dbraw/zinc/96/99/63/453969963.db2.gz PWJOAKGQNJKFJV-JKSUJKDBSA-N -1 3 342.420 3.499 20 30 EGEDHM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1-c1ccc(F)cc1 ZINC000041560379 453972207 /nfs/dbraw/zinc/97/22/07/453972207.db2.gz KALRIQRLEXNFLT-INIZCTEOSA-N -1 3 349.369 3.217 20 30 EGEDHM [O-]c1cccc(/C=N/c2ccccc2CN2CCSCC2)c1O ZINC000057752627 454144187 /nfs/dbraw/zinc/14/41/87/454144187.db2.gz UNKBDICQOQUBBM-XDHOZWIPSA-N -1 3 328.437 3.397 20 30 EGEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000119557922 454203893 /nfs/dbraw/zinc/20/38/93/454203893.db2.gz APYKDHXXKBLOLA-LBPRGKRZSA-N -1 3 334.363 3.063 20 30 EGEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000119557808 454204226 /nfs/dbraw/zinc/20/42/26/454204226.db2.gz APYKDHXXKBLOLA-GFCCVEGCSA-N -1 3 334.363 3.063 20 30 EGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(C#N)CCCC3)c2)n1 ZINC000046065890 454213512 /nfs/dbraw/zinc/21/35/12/454213512.db2.gz HTBJJLJIJSIRKH-UHFFFAOYSA-N -1 3 336.395 3.022 20 30 EGEDHM C=CCCS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccccc1 ZINC000120010951 454246743 /nfs/dbraw/zinc/24/67/43/454246743.db2.gz NWFLVYPRKYTBAS-UHFFFAOYSA-N -1 3 330.409 3.257 20 30 EGEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000120091109 454257146 /nfs/dbraw/zinc/25/71/46/454257146.db2.gz KJEPMIBXIXIASP-UHFFFAOYSA-N -1 3 336.457 3.021 20 30 EGEDHM Cc1ccc2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)ccc2n1 ZINC000097022168 454389401 /nfs/dbraw/zinc/38/94/01/454389401.db2.gz CIVUCECDINPCFH-INIZCTEOSA-N -1 3 345.406 3.351 20 30 EGEDHM N#CC(=C([O-])c1ccc(-c2cnco2)cc1)c1nnc2n1CCCCC2 ZINC000064102160 454467027 /nfs/dbraw/zinc/46/70/27/454467027.db2.gz VOWPIKFWYQNGJT-OAHLLOKOSA-N -1 3 347.378 3.150 20 30 EGEDHM N#CC(=C([O-])c1c[nH]c2cc([N+](=O)[O-])ccc21)c1nc2ccccc2[nH]1 ZINC000048790232 454515483 /nfs/dbraw/zinc/51/54/83/454515483.db2.gz FZVRVRQTROBCSN-LBPRGKRZSA-N -1 3 345.318 3.442 20 30 EGEDHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C#N)ccc3Cl)ccc2O1 ZINC000123724600 454669369 /nfs/dbraw/zinc/66/93/69/454669369.db2.gz XIZCHAUAXDKUHH-JTQLQIEISA-N -1 3 348.811 3.336 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)c(F)c1 ZINC000162012987 454745417 /nfs/dbraw/zinc/74/54/17/454745417.db2.gz VWHVPUSXLSTDIZ-CYBMUJFWSA-N -1 3 336.413 3.115 20 30 EGEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000108240653 454790245 /nfs/dbraw/zinc/79/02/45/454790245.db2.gz JORYHHYZQSYIPL-JTQLQIEISA-N -1 3 345.449 3.351 20 30 EGEDHM N#CC(=C([O-])c1cnc2ccc(F)cc2c1)c1nnc2n1CCCCC2 ZINC000179000247 454997294 /nfs/dbraw/zinc/99/72/94/454997294.db2.gz YMRKZLMVDHKTKO-OAHLLOKOSA-N -1 3 349.369 3.182 20 30 EGEDHM COCCCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000175082307 455421881 /nfs/dbraw/zinc/42/18/81/455421881.db2.gz SIKLCVCXBVDUOJ-OAHLLOKOSA-N -1 3 330.409 3.357 20 30 EGEDHM N#C[C@]1(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CC12CCCC2 ZINC000294749337 455826260 /nfs/dbraw/zinc/82/62/60/455826260.db2.gz AJKFOWZEZOFPOB-KRWDZBQOSA-N -1 3 325.347 3.023 20 30 EGEDHM N#Cc1c(F)cccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000186908493 455850582 /nfs/dbraw/zinc/85/05/82/455850582.db2.gz GMDVMIXVNARUCJ-UHFFFAOYSA-N -1 3 349.159 3.095 20 30 EGEDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@](C)(C#N)CC ZINC000285550137 455867953 /nfs/dbraw/zinc/86/79/53/455867953.db2.gz DVSHJCGBEIDGQD-OAHLLOKOSA-N -1 3 339.233 3.443 20 30 EGEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000272433865 455949462 /nfs/dbraw/zinc/94/94/62/455949462.db2.gz NPIJGIJDGZMSKV-ZDUSSCGKSA-N -1 3 334.363 3.312 20 30 EGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc2nn[n-]c21 ZINC000187824410 455957821 /nfs/dbraw/zinc/95/78/21/455957821.db2.gz GCZUJKUXXBRHGO-LLVKDONJSA-N -1 3 337.408 3.462 20 30 EGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc2[n-]nnc21 ZINC000187824410 455957824 /nfs/dbraw/zinc/95/78/24/455957824.db2.gz GCZUJKUXXBRHGO-LLVKDONJSA-N -1 3 337.408 3.462 20 30 EGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC000187824410 455957828 /nfs/dbraw/zinc/95/78/28/455957828.db2.gz GCZUJKUXXBRHGO-LLVKDONJSA-N -1 3 337.408 3.462 20 30 EGEDHM C[C@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CCN1Cc1ccccc1 ZINC000188623091 456097129 /nfs/dbraw/zinc/09/71/29/456097129.db2.gz DQSKYBBCHALWHD-HNAYVOBHSA-N -1 3 349.434 3.047 20 30 EGEDHM COc1cc(/C=C/C(=O)c2cnn(C(C)C)c2C)cc(OC)c1[O-] ZINC000188888622 456161274 /nfs/dbraw/zinc/16/12/74/456161274.db2.gz WUGBIWRZUHDMRM-VOTSOKGWSA-N -1 3 330.384 3.391 20 30 EGEDHM COc1nc(C)c(Br)cc1C([O-])=C(C#N)c1ccccn1 ZINC000189075931 456219718 /nfs/dbraw/zinc/21/97/18/456219718.db2.gz SCOBNBPTTRTMHK-LLVKDONJSA-N -1 3 346.184 3.046 20 30 EGEDHM C[C@H](C#N)CSc1ccccc1NC([O-])=NOC[C@@H]1CCOC1 ZINC000276225762 456417978 /nfs/dbraw/zinc/41/79/78/456417978.db2.gz BSHGDPLYRLPXAB-CHWSQXEVSA-N -1 3 335.429 3.028 20 30 EGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000276225762 456417983 /nfs/dbraw/zinc/41/79/83/456417983.db2.gz BSHGDPLYRLPXAB-CHWSQXEVSA-N -1 3 335.429 3.028 20 30 EGEDHM C[C@@H](C#N)CSc1ccccc1NC([O-])=NOC[C@@H]1CCOC1 ZINC000276225774 456418158 /nfs/dbraw/zinc/41/81/58/456418158.db2.gz BSHGDPLYRLPXAB-QWHCGFSZSA-N -1 3 335.429 3.028 20 30 EGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)[N-]OC[C@@H]1CCOC1 ZINC000276225774 456418164 /nfs/dbraw/zinc/41/81/64/456418164.db2.gz BSHGDPLYRLPXAB-QWHCGFSZSA-N -1 3 335.429 3.028 20 30 EGEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(C(=O)OC)c(CC)o2)s1 ZINC000338397623 456795208 /nfs/dbraw/zinc/79/52/08/456795208.db2.gz CTCRYUQVXLYIMX-UHFFFAOYSA-N -1 3 332.381 3.376 20 30 EGEDHM Cc1ccnc2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc12 ZINC000353635456 456818991 /nfs/dbraw/zinc/81/89/91/456818991.db2.gz ALIHVJRVFUZGAF-MRXNPFEDSA-N -1 3 345.406 3.351 20 30 EGEDHM CCOc1nc2cc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)ccc2[n-]1 ZINC000346362627 457037000 /nfs/dbraw/zinc/03/70/00/457037000.db2.gz BLCCOFJJTYEDTK-XIKOKIGWSA-N -1 3 326.400 3.164 20 30 EGEDHM CCOc1nc2ccc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)cc2[n-]1 ZINC000346362627 457037006 /nfs/dbraw/zinc/03/70/06/457037006.db2.gz BLCCOFJJTYEDTK-XIKOKIGWSA-N -1 3 326.400 3.164 20 30 EGEDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000330748480 457080974 /nfs/dbraw/zinc/08/09/74/457080974.db2.gz TZWMMDPWDZGLHF-VIFPVBQESA-N -1 3 332.379 3.388 20 30 EGEDHM CC(C)c1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)c([O-])c1 ZINC000331251216 457153432 /nfs/dbraw/zinc/15/34/32/457153432.db2.gz XIZQIZVKEJBTHX-UHFFFAOYSA-N -1 3 347.503 3.236 20 30 EGEDHM O=C(COC(F)F)[N-][C@H](c1ccc(OC(F)F)cc1)C(F)(F)F ZINC000354660644 457303698 /nfs/dbraw/zinc/30/36/98/457303698.db2.gz TVDKBQVAGFFPOY-SECBINFHSA-N -1 3 349.202 3.247 20 30 EGEDHM CCc1ccc([O-])c(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000342464716 457317647 /nfs/dbraw/zinc/31/76/47/457317647.db2.gz YVLMBSDFDDJOAB-LJQANCHMSA-N -1 3 336.391 3.040 20 30 EGEDHM N#Cc1c([N-]C(=O)c2cn(-c3ccccc3)nn2)sc2c1CCCC2 ZINC000342477681 457326033 /nfs/dbraw/zinc/32/60/33/457326033.db2.gz HDTYDHBQEAQZOD-UHFFFAOYSA-N -1 3 349.419 3.332 20 30 EGEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)c1Cl ZINC000425188154 457458878 /nfs/dbraw/zinc/45/88/78/457458878.db2.gz IMDPATMTKRFCFJ-VHSXEESVSA-N -1 3 333.240 3.272 20 30 EGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(OC(F)F)cn1 ZINC000357776670 457685757 /nfs/dbraw/zinc/68/57/57/457685757.db2.gz AWKWXZPCBPKCDA-LLVKDONJSA-N -1 3 342.305 3.060 20 30 EGEDHM CCOc1cc(-c2noc(COc3ccc(C#N)cc3)n2)ccc1[O-] ZINC000445425463 458047422 /nfs/dbraw/zinc/04/74/22/458047422.db2.gz CVUZVHMWYYPAAR-UHFFFAOYSA-N -1 3 337.335 3.292 20 30 EGEDHM C=CCSc1ccccc1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000362400245 458153568 /nfs/dbraw/zinc/15/35/68/458153568.db2.gz DGLUNTGLGDZQHM-UHFFFAOYSA-N -1 3 342.346 3.032 20 30 EGEDHM C=CCSc1ccccc1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000362400245 458153576 /nfs/dbraw/zinc/15/35/76/458153576.db2.gz DGLUNTGLGDZQHM-UHFFFAOYSA-N -1 3 342.346 3.032 20 30 EGEDHM C=CCSc1ccccc1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000362400245 458153583 /nfs/dbraw/zinc/15/35/83/458153583.db2.gz DGLUNTGLGDZQHM-UHFFFAOYSA-N -1 3 342.346 3.032 20 30 EGEDHM N#CC1(CNC(=O)c2cc(OCc3ccccc3)ccc2[O-])CCC1 ZINC000416349382 458344212 /nfs/dbraw/zinc/34/42/12/458344212.db2.gz YFDPJMUCQZGNTD-UHFFFAOYSA-N -1 3 336.391 3.395 20 30 EGEDHM C=C(C)CN(CC)C(=O)[C@H](C)SCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419605124 458386767 /nfs/dbraw/zinc/38/67/67/458386767.db2.gz PIPNPLJJSFKPDO-LBPRGKRZSA-N -1 3 335.473 3.106 20 30 EGEDHM C=CCC[C@H](NCc1cccc([O-])c1Br)C(=O)OCC ZINC000459567463 458412966 /nfs/dbraw/zinc/41/29/66/458412966.db2.gz ILIOEZYAWLSLSA-LBPRGKRZSA-N -1 3 342.233 3.142 20 30 EGEDHM N#C[C@H]1N(C(=O)Cc2ccc([O-])cc2Cl)CCC[C@@]12CCCCO2 ZINC000373375395 458474688 /nfs/dbraw/zinc/47/46/88/458474688.db2.gz DWAWDYHMOMDPCX-AEFFLSMTSA-N -1 3 348.830 3.042 20 30 EGEDHM C=CCC(CC=C)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000461231597 458553114 /nfs/dbraw/zinc/55/31/14/458553114.db2.gz IBTDAZIPVWWYSZ-UHFFFAOYSA-N -1 3 330.819 3.264 20 30 EGEDHM COCc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1C#N ZINC000530144109 458696886 /nfs/dbraw/zinc/69/68/86/458696886.db2.gz CMVXDLREWWALQY-UHFFFAOYSA-N -1 3 344.436 3.431 20 30 EGEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000577908701 459114888 /nfs/dbraw/zinc/11/48/88/459114888.db2.gz GQHUBHZSUCQDFL-GFCCVEGCSA-N -1 3 335.454 3.027 20 30 EGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000594721608 459139903 /nfs/dbraw/zinc/13/99/03/459139903.db2.gz SXKGNUSOMUCFAX-AWEZNQCLSA-N -1 3 347.465 3.298 20 30 EGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1 ZINC000594785719 459154281 /nfs/dbraw/zinc/15/42/81/459154281.db2.gz RUJQAQGJXBLKDE-WCQYABFASA-N -1 3 345.449 3.052 20 30 EGEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496551566 459237205 /nfs/dbraw/zinc/23/72/05/459237205.db2.gz SFEOBOZDNULNKC-KKUMJFAQSA-N -1 3 340.464 3.282 20 30 EGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000578755039 459238275 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ODMPPSQKCLEREE-UHFFFAOYSA-N -1 3 344.436 3.487 20 30 EGEDHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC2(C#N)CC2)c1Cl ZINC000619529670 460375587 /nfs/dbraw/zinc/37/55/87/460375587.db2.gz BEPZDHGJORJWNM-UHFFFAOYSA-N -1 3 333.240 3.192 20 30 EGEDHM COc1ccc(CN2CCC[C@](C)(C#N)C2)c(Br)c1[O-] ZINC000612851995 460753453 /nfs/dbraw/zinc/75/34/53/460753453.db2.gz NZQMDQCBQWVYFF-OAHLLOKOSA-N -1 3 339.233 3.289 20 30 EGEDHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccccc1CC#N)C(F)(F)F ZINC000601404079 460805917 /nfs/dbraw/zinc/80/59/17/460805917.db2.gz GISUNAWDIMIAIQ-ZWNOBZJWSA-N -1 3 334.363 3.008 20 30 EGEDHM CCc1csc([C@H](C)[N-]S(=O)(=O)CC2(C#N)CCCCC2)n1 ZINC000601442732 460811972 /nfs/dbraw/zinc/81/19/72/460811972.db2.gz IMWJCZYYNVTRDF-LBPRGKRZSA-N -1 3 341.502 3.160 20 30 EGEDHM C=C(C)COc1cccc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c1 ZINC000647126513 461511502 /nfs/dbraw/zinc/51/15/02/461511502.db2.gz DTVPDLUBTLVFBY-MRXNPFEDSA-N -1 3 327.446 3.054 20 30 EGEDHM C=C[C@H](CCC(=O)[O-])NCc1cn(C)nc1-c1cc2ccccc2o1 ZINC000669477928 461695675 /nfs/dbraw/zinc/69/56/75/461695675.db2.gz RXLRGQHYSMDNRU-OAHLLOKOSA-N -1 3 339.395 3.342 20 30 EGEDHM COCCOc1cncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1 ZINC000670115192 461888050 /nfs/dbraw/zinc/88/80/50/461888050.db2.gz PUYFKQRJXXIWQE-QGZVFWFLSA-N -1 3 347.374 3.145 20 30 EGEDHM CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1cc(F)ccc1[O-] ZINC000729636391 574874781 /nfs/dbraw/zinc/87/47/81/574874781.db2.gz GROBCAZQNAZMNW-UHFFFAOYSA-N -1 3 346.431 3.308 20 30 EGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@H]1c1ccccc1 ZINC000732528625 575274319 /nfs/dbraw/zinc/27/43/19/575274319.db2.gz RUIMEJFLQZXROF-KRWDZBQOSA-N -1 3 328.437 3.430 20 30 EGEDHM COc1cccc([O-])c1/C=N\C[C@@H](c1c(F)cccc1F)N(C)C ZINC000734303480 575463775 /nfs/dbraw/zinc/46/37/75/575463775.db2.gz QYKWRQPRQGCTOV-UNUHRMFVSA-N -1 3 334.366 3.401 20 30 EGEDHM CC(=NNc1cccc2cnccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000735450555 575663501 /nfs/dbraw/zinc/66/35/01/575663501.db2.gz AMKRTSXJAKZXPS-UHFFFAOYSA-N -1 3 329.367 3.251 20 30 EGEDHM CC(=NNc1cccc2cnccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000735450555 575663502 /nfs/dbraw/zinc/66/35/02/575663502.db2.gz AMKRTSXJAKZXPS-UHFFFAOYSA-N -1 3 329.367 3.251 20 30 EGEDHM CC1(C)Cc2cc(C=NNc3ccc(-c4nnn[n-]4)cc3)ccc2O1 ZINC000736214669 575917474 /nfs/dbraw/zinc/91/74/74/575917474.db2.gz PFIVHVPRMSKDTQ-UHFFFAOYSA-N -1 3 334.383 3.026 20 30 EGEDHM CC1(C)Cc2cc(C=NNc3ccc(-c4nn[n-]n4)cc3)ccc2O1 ZINC000736214669 575917476 /nfs/dbraw/zinc/91/74/76/575917476.db2.gz PFIVHVPRMSKDTQ-UHFFFAOYSA-N -1 3 334.383 3.026 20 30 EGEDHM COC(=O)c1ccc([O-])c(CN=Nc2nc(C(F)(F)F)cs2)c1 ZINC000755902961 575943166 /nfs/dbraw/zinc/94/31/66/575943166.db2.gz BXQJOSPNVWBPOE-UHFFFAOYSA-N -1 3 345.302 3.100 20 30 EGEDHM CC(C)CCOC1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736432280 575958540 /nfs/dbraw/zinc/95/85/40/575958540.db2.gz XAIHEMJNKUMFLW-GOSISDBHSA-N -1 3 330.428 3.211 20 30 EGEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000737601859 576254113 /nfs/dbraw/zinc/25/41/13/576254113.db2.gz FMFRSDBUZFQVLI-DHZHZOJOSA-N -1 3 329.363 3.255 20 30 EGEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000737601859 576254115 /nfs/dbraw/zinc/25/41/15/576254115.db2.gz FMFRSDBUZFQVLI-DHZHZOJOSA-N -1 3 329.363 3.255 20 30 EGEDHM N#Cc1ccc([C@@H](NCCOc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000739105701 576378235 /nfs/dbraw/zinc/37/82/35/576378235.db2.gz IOVRMRPGNLHXTN-MRXNPFEDSA-N -1 3 330.771 3.006 20 30 EGEDHM Cc1nc(Cl)cc(NN=Cc2cccc(Br)c2[O-])n1 ZINC000741765644 576718458 /nfs/dbraw/zinc/71/84/58/576718458.db2.gz HIYNKFRTEJUKJU-UHFFFAOYSA-N -1 3 341.596 3.353 20 30 EGEDHM COc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)cc(OC)c1[O-] ZINC000742434295 576784083 /nfs/dbraw/zinc/78/40/83/576784083.db2.gz FLTHRLZKNNNBRR-UTCJRWHESA-N -1 3 326.348 3.336 20 30 EGEDHM COc1cccc([O-])c1/C=N/CCc1ccn(-c2ccc(F)cc2)n1 ZINC000743042657 576800573 /nfs/dbraw/zinc/80/05/73/576800573.db2.gz NJNXHEVBUZBXOZ-FYJGNVAPSA-N -1 3 339.370 3.387 20 30 EGEDHM C/C(C=N[N-]S(=O)(=O)CCc1ccccc1)=C/c1ccccc1 ZINC000743448257 576809351 /nfs/dbraw/zinc/80/93/51/576809351.db2.gz GUKNFSZSKSRJOE-HKECJQQCSA-N -1 3 328.437 3.238 20 30 EGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])C=C(C)C(C)(C)C)cc1OC ZINC000744031883 576819258 /nfs/dbraw/zinc/81/92/58/576819258.db2.gz CWNBAMOBAVNOFR-BRADTZPFSA-N -1 3 344.411 3.344 20 30 EGEDHM COc1cccc([O-])c1C=NNC(=S)Nc1cc(C)ccc1F ZINC000745005697 576838315 /nfs/dbraw/zinc/83/83/15/576838315.db2.gz INBDCQNIMQHUBW-UHFFFAOYSA-N -1 3 333.388 3.169 20 30 EGEDHM COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737945952 600594675 /nfs/dbraw/zinc/59/46/75/600594675.db2.gz FKOMJUDVYNLRSZ-SGTLLEGYSA-N -1 3 340.379 3.052 20 30 EGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1F ZINC000822924085 607459021 /nfs/dbraw/zinc/45/90/21/607459021.db2.gz WWPMWQCMBRFHSQ-ZZXKWVIFSA-N -1 3 330.269 3.180 20 30 EGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1F ZINC000822924085 607459022 /nfs/dbraw/zinc/45/90/22/607459022.db2.gz WWPMWQCMBRFHSQ-ZZXKWVIFSA-N -1 3 330.269 3.180 20 30 EGEDHM CC(C)OCc1ccccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827033298 601299381 /nfs/dbraw/zinc/29/93/81/601299381.db2.gz FHZLXULGSRMKFT-IBGZPJMESA-N -1 3 338.407 3.399 20 30 EGEDHM CC[C@@H](C#N)Oc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828587581 601304956 /nfs/dbraw/zinc/30/49/56/601304956.db2.gz USKKKNGKMODXOT-PKOBYXMFSA-N -1 3 349.390 3.155 20 30 EGEDHM C[C@@H](CCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000824401542 607538518 /nfs/dbraw/zinc/53/85/18/607538518.db2.gz PYBQCWFZBVUJRT-ZDUSSCGKSA-N -1 3 346.394 3.261 20 30 EGEDHM C[C@@H](CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000824401542 607538520 /nfs/dbraw/zinc/53/85/20/607538520.db2.gz PYBQCWFZBVUJRT-ZDUSSCGKSA-N -1 3 346.394 3.261 20 30 EGEDHM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(C#N)cc2)C(=O)[O-])c1 ZINC000832049687 602166737 /nfs/dbraw/zinc/16/67/37/602166737.db2.gz JYCZEMSLXAKEPO-KPZWWZAWSA-N -1 3 340.379 3.052 20 30 EGEDHM C=CCc1cc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c([O-])c(OC)c1 ZINC000833379833 604862911 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CC[C@@H](C#N)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820842145 606613491 /nfs/dbraw/zinc/61/34/91/606613491.db2.gz KJYKPYVVLLZMHD-AWEZNQCLSA-N -1 3 349.350 3.118 20 30 EGEDHM CC(C)(C#N)c1ccccc1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000819892149 607132695 /nfs/dbraw/zinc/13/26/95/607132695.db2.gz WPUANFYERANXFF-UHFFFAOYSA-N -1 3 336.424 3.355 20 30 EGEDHM CC(C)(C#N)c1ccccc1CSc1ccc(-c2nn[n-]n2)cn1 ZINC000819892149 607132696 /nfs/dbraw/zinc/13/26/96/607132696.db2.gz WPUANFYERANXFF-UHFFFAOYSA-N -1 3 336.424 3.355 20 30 EGEDHM O=C1c2cc(Cl)ccc2CC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826475466 608094962 /nfs/dbraw/zinc/09/49/62/608094962.db2.gz GSTKMKUSRUKFRU-RMKNXTFCSA-N -1 3 328.784 3.404 20 30 EGEDHM Cn1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000826358382 608880563 /nfs/dbraw/zinc/88/05/63/608880563.db2.gz RERFLMHCZIKDRB-CLFYSBASSA-N -1 3 347.353 3.394 20 30 EGEDHM Cn1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000826358382 608880565 /nfs/dbraw/zinc/88/05/65/608880565.db2.gz 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/nfs/dbraw/zinc/09/48/72/608094872.db2.gz RZTVDYMOMLGBGD-SDQBBNPISA-N -1 3 340.745 3.482 20 30 EGEDHM COc1ccc(C=CC(=O)c2cc(C)ccc2F)cc1-c1nnn[n-]1 ZINC000826190991 608109224 /nfs/dbraw/zinc/10/92/24/608109224.db2.gz SXPLRZKMVJILOJ-QPJJXVBHSA-N -1 3 338.342 3.219 20 30 EGEDHM COc1ccc(C=CC(=O)c2cc(C)ccc2F)cc1-c1nn[n-]n1 ZINC000826190991 608109225 /nfs/dbraw/zinc/10/92/25/608109225.db2.gz SXPLRZKMVJILOJ-QPJJXVBHSA-N -1 3 338.342 3.219 20 30 EGEDHM C=CCOc1ccc(OCc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000823931804 608151427 /nfs/dbraw/zinc/15/14/27/608151427.db2.gz FRGOQLQDAFTMAE-UHFFFAOYSA-N -1 3 338.367 3.019 20 30 EGEDHM C=CCOc1ccc(OCc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000823931804 608151429 /nfs/dbraw/zinc/15/14/29/608151429.db2.gz FRGOQLQDAFTMAE-UHFFFAOYSA-N -1 3 338.367 3.019 20 30 EGEDHM C[C@H](C#N)Oc1ccccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824035258 609167090 /nfs/dbraw/zinc/16/70/90/609167090.db2.gz VGQOSLUXEFTWEY-CHWSQXEVSA-N -1 3 334.383 3.331 20 30 EGEDHM C[C@H](C#N)Oc1ccccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000824035258 609167091 /nfs/dbraw/zinc/16/70/91/609167091.db2.gz VGQOSLUXEFTWEY-CHWSQXEVSA-N -1 3 334.383 3.331 20 30 EGEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cnc1Cl ZINC000826266561 609272462 /nfs/dbraw/zinc/27/24/62/609272462.db2.gz SWTDMDYUDJNQHC-GORDUTHDSA-N -1 3 343.749 3.259 20 30 EGEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cnc1Cl ZINC000826266561 609272464 /nfs/dbraw/zinc/27/24/64/609272464.db2.gz SWTDMDYUDJNQHC-GORDUTHDSA-N -1 3 343.749 3.259 20 30 EGEDHM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]2CCCO[C@H]21 ZINC000824783358 609469018 /nfs/dbraw/zinc/46/90/18/609469018.db2.gz FXJVINANKINRIB-BXUZGUMPSA-N -1 3 346.822 3.123 20 30 EGEDHM CC1(C)C(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]2CCCO[C@H]21 ZINC000824783358 609469019 /nfs/dbraw/zinc/46/90/19/609469019.db2.gz FXJVINANKINRIB-BXUZGUMPSA-N -1 3 346.822 3.123 20 30 EGEDHM N#CCc1ccc(COc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000826382705 609490879 /nfs/dbraw/zinc/49/08/79/609490879.db2.gz RGDGWIPOZYHCFQ-UHFFFAOYSA-N -1 3 325.759 3.165 20 30 EGEDHM N#CCc1ccc(COc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000826382705 609490882 /nfs/dbraw/zinc/49/08/82/609490882.db2.gz RGDGWIPOZYHCFQ-UHFFFAOYSA-N -1 3 325.759 3.165 20 30 EGEDHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000015645402 1291154426 /nfs/dbraw/zinc/15/44/26/1291154426.db2.gz SRTFHGVVFYDSRG-JTQLQIEISA-N -1 3 344.754 3.101 20 30 EGEDHM CC[C@@H]1CCC[C@@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000115919326 1293197872 /nfs/dbraw/zinc/19/78/72/1293197872.db2.gz MGUGULLTXYWSIP-HUUCEWRRSA-N -1 3 330.428 3.308 20 30 EGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C)s1 ZINC000128900025 1293606784 /nfs/dbraw/zinc/60/67/84/1293606784.db2.gz XXJMKPIMKTZDTQ-LBPRGKRZSA-N -1 3 328.393 3.416 20 30 EGEDHM COc1ccccc1N1CC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1=O ZINC000129391783 1293623519 /nfs/dbraw/zinc/62/35/19/1293623519.db2.gz AJIXOCDXWGWILR-XLTHYULKSA-N -1 3 344.798 3.279 20 30 EGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cscc1C ZINC000175110055 1294540625 /nfs/dbraw/zinc/54/06/25/1294540625.db2.gz YHLSZCOBQGNQNH-GFCCVEGCSA-N -1 3 328.393 3.416 20 30 EGEDHM C[C@H](C#N)CNCc1cc(Br)cc(Br)c1[O-] ZINC000183824204 1295148069 /nfs/dbraw/zinc/14/80/69/1295148069.db2.gz OKTLVPTXPFJABG-SSDOTTSWSA-N -1 3 348.038 3.166 20 30 EGEDHM COc1cc(C(=O)/C=C\c2cc(OC)c(OC)cc2OC)ccc1[O-] ZINC000213712725 1296111911 /nfs/dbraw/zinc/11/19/11/1296111911.db2.gz HKXOZYXWBODITP-SREVYHEPSA-N -1 3 344.363 3.323 20 30 EGEDHM C#C[C@H](C)NCc1cc(Br)c([O-])c(Br)c1 ZINC000235518226 1296184050 /nfs/dbraw/zinc/18/40/50/1296184050.db2.gz YRQDIPKXSRVEJI-ZETCQYMHSA-N -1 3 333.023 3.029 20 30 EGEDHM [O-]c1c(O)ccc(C=Nc2ccc(OCC(F)(F)F)cc2)c1O ZINC000255047679 1296492406 /nfs/dbraw/zinc/49/24/06/1296492406.db2.gz PHAWGEVHYPNHFA-UHFFFAOYSA-N -1 3 327.258 3.495 20 30 EGEDHM Cn1c(=O)cc(C([O-])=C(C#N)c2nc3ccccc3o2)c2ccccc21 ZINC000340037404 1297308982 /nfs/dbraw/zinc/30/89/82/1297308982.db2.gz JOOXAECSHOZTRW-AWEZNQCLSA-N 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CSc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c2ccccn12 ZINC000076764689 454034860 /nfs/dbraw/zinc/03/48/60/454034860.db2.gz UOGQQCXVQDVRLY-NSHDSACASA-N -1 3 347.403 3.423 20 30 EGEDHM Cc1cc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c(F)cc1F ZINC000182012801 455416437 /nfs/dbraw/zinc/41/64/37/455416437.db2.gz TYYIBBSBPPTCFY-BONVTDFDSA-N -1 3 328.384 3.024 20 30 EGEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000045571898 454167818 /nfs/dbraw/zinc/16/78/18/454167818.db2.gz JQLYVECYRUTZLU-SSDOTTSWSA-N -1 3 346.696 3.316 20 30 EGEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000045571898 454167820 /nfs/dbraw/zinc/16/78/20/454167820.db2.gz JQLYVECYRUTZLU-SSDOTTSWSA-N -1 3 346.696 3.316 20 30 EGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000182007082 455415171 /nfs/dbraw/zinc/41/51/71/455415171.db2.gz FMEGSSRBPGHAHG-QMTHXVAHSA-N -1 3 330.812 3.230 20 30 EGEDHM C=CCCS(=O)(=O)[N-]c1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000120213182 454272034 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C=CCN(CCc1ccccc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000162449545 454776534 /nfs/dbraw/zinc/77/65/34/454776534.db2.gz INYJKCGDZPAEPW-UHFFFAOYSA-N -1 3 341.407 3.280 20 30 EGEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1CC(C)C ZINC000155509687 455010224 /nfs/dbraw/zinc/01/02/24/455010224.db2.gz WORGPWBTQSMWFB-AWEZNQCLSA-N -1 3 335.411 3.224 20 30 EGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c(C)cc(N(C)C)cc1C ZINC000156192135 455091775 /nfs/dbraw/zinc/09/17/75/455091775.db2.gz PEOQQLWIBPQEJA-UHFFFAOYSA-N -1 3 343.452 3.350 20 30 EGEDHM N#CCCn1ccc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)n1 ZINC000117855654 455095074 /nfs/dbraw/zinc/09/50/74/455095074.db2.gz OVCFJGGSMFGRKK-UHFFFAOYSA-N -1 3 340.774 3.093 20 30 EGEDHM C[C@@H](c1cccc(/N=C/c2cccc([O-])c2O)c1)N1CCOCC1 ZINC000264186884 455194727 /nfs/dbraw/zinc/19/47/27/455194727.db2.gz NGQDQEQVCSTONL-ZXOFLVKFSA-N -1 3 326.396 3.242 20 30 EGEDHM CCCOc1ccc(/C=N/[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000265152521 455301760 /nfs/dbraw/zinc/30/17/60/455301760.db2.gz QUIRRSLACLUZMM-REMNUJDTSA-N -1 3 332.444 3.247 20 30 EGEDHM C=CCN(CCOC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000191959977 455535714 /nfs/dbraw/zinc/53/57/14/455535714.db2.gz SQHTWXWPLHISCD-UHFFFAOYSA-N -1 3 325.408 3.258 20 30 EGEDHM C=CCN(Cc1ccccc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000161518523 455577457 /nfs/dbraw/zinc/57/74/57/455577457.db2.gz ZUWWXLVNCMANJB-UHFFFAOYSA-N -1 3 327.380 3.238 20 30 EGEDHM Cc1c([O-])ccc2c(CN3CCCC(C)(C)[C@@H]3C#N)cc(=O)oc12 ZINC000277741241 455652604 /nfs/dbraw/zinc/65/26/04/455652604.db2.gz KVFGIBTXZRDEMJ-INIZCTEOSA-N -1 3 326.396 3.321 20 30 EGEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@]1(C#N)CCc2ccccc2C1 ZINC000192844096 455704784 /nfs/dbraw/zinc/70/47/84/455704784.db2.gz FYVKPEIHLUQPFT-GOSISDBHSA-N -1 3 341.361 3.049 20 30 EGEDHM [O-]c1c(O)ccc(/C=N/Cc2c(F)cccc2N2CCCC2)c1O ZINC000285368800 455831237 /nfs/dbraw/zinc/83/12/37/455831237.db2.gz NYRGEUAWPREYLK-KEBDBYFISA-N -1 3 330.359 3.162 20 30 EGEDHM COc1ccccc1-n1ncc(C([O-])=C(C#N)c2ccccn2)c1C ZINC000194885272 455896074 /nfs/dbraw/zinc/89/60/74/455896074.db2.gz FADAODRRWGNQOB-CQSZACIVSA-N -1 3 332.363 3.074 20 30 EGEDHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)c1 ZINC000280255625 455928295 /nfs/dbraw/zinc/92/82/95/455928295.db2.gz JHZRBXWECOQTBX-AWEZNQCLSA-N -1 3 342.848 3.149 20 30 EGEDHM Cc1ncc(CO)c(/C=N/CCc2csc(C(C)(C)C)n2)c1[O-] ZINC000270749558 456030047 /nfs/dbraw/zinc/03/00/47/456030047.db2.gz BXYGFNPJBPLWPY-QGMBQPNBSA-N -1 3 333.457 3.004 20 30 EGEDHM CC(C)CN1Cc2cccc(NC(=O)c3ccc(C#N)c([O-])c3)c2C1 ZINC000188954228 456182830 /nfs/dbraw/zinc/18/28/30/456182830.db2.gz FNSQUNKVGQNWKB-UHFFFAOYSA-N -1 3 335.407 3.488 20 30 EGEDHM C#CCOc1ccccc1CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273510236 456236816 /nfs/dbraw/zinc/23/68/16/456236816.db2.gz RNDBZFSCMPNAPE-AWEZNQCLSA-N -1 3 339.391 3.042 20 30 EGEDHM COC(=O)c1ccc([O-])c([C@@H](C)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000273539540 456237004 /nfs/dbraw/zinc/23/70/04/456237004.db2.gz YAIFDRBWIAPBHL-CYBMUJFWSA-N -1 3 336.391 3.390 20 30 EGEDHM [O-]c1c(O)ccc(/C=N/C2CCC(O)(c3ccccc3)CC2)c1O ZINC000273783704 456244978 /nfs/dbraw/zinc/24/49/78/456244978.db2.gz WGNPGPBTKCHQHL-UDWIEESQSA-N -1 3 327.380 3.053 20 30 EGEDHM CCCOc1ccc(/C=N/[C@@H](CC(F)(F)F)C(=O)OC)c([O-])c1 ZINC000274054727 456250274 /nfs/dbraw/zinc/25/02/74/456250274.db2.gz HFQMDCBJDJSXAZ-BFNDQCEFSA-N -1 3 333.306 3.094 20 30 EGEDHM C=CC[C@H](CC)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000281575105 456269021 /nfs/dbraw/zinc/26/90/21/456269021.db2.gz BAXSQCFIZJAJBQ-LBPRGKRZSA-N -1 3 343.383 3.025 20 30 EGEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000281588450 456270972 /nfs/dbraw/zinc/27/09/72/456270972.db2.gz VKSSMERKERHTBN-IINYFYTJSA-N -1 3 329.318 3.122 20 30 EGEDHM C=C[C@H](C(=O)[O-])N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000629365542 460731988 /nfs/dbraw/zinc/73/19/88/460731988.db2.gz ZDHFUNVNDVXWFK-OAHLLOKOSA-N -1 3 333.432 3.011 20 30 EGEDHM C=CCCN(C)C(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000276326422 456447477 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O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2csc(=O)[n-]2)CC1 ZINC000329922424 456961918 /nfs/dbraw/zinc/96/19/18/456961918.db2.gz TWODMIPYHPBADC-UHFFFAOYSA-N -1 3 349.387 3.128 20 30 EGEDHM Cc1cc2ncc(C([O-])=C(C#N)c3nc4c(cccc4C)[nH]3)c(C)n2n1 ZINC000345386470 456976375 /nfs/dbraw/zinc/97/63/75/456976375.db2.gz XQNSSJVSAQREQB-ZDUSSCGKSA-N -1 3 344.378 3.021 20 30 EGEDHM C=CCn1c(=O)[n-]nc1SCc1ccc(Oc2ccccc2)nn1 ZINC000345522677 456981161 /nfs/dbraw/zinc/98/11/61/456981161.db2.gz QWXJYZWOSYYEPW-UHFFFAOYSA-N -1 3 341.396 3.044 20 30 EGEDHM N#CCCN(Cc1ccco1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345610346 456984649 /nfs/dbraw/zinc/98/46/49/456984649.db2.gz KXJUKSXUCZXDLW-UHFFFAOYSA-N -1 3 330.359 3.389 20 30 EGEDHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000341889499 456987752 /nfs/dbraw/zinc/98/77/52/456987752.db2.gz OQEHNRDYUHJNAM-QLJPJBMISA-N -1 3 348.811 3.012 20 30 EGEDHM CCOc1nc2cc(C(=O)N(CCC#N)Cc3ccco3)ccc2[n-]1 ZINC000346306384 457030237 /nfs/dbraw/zinc/03/02/37/457030237.db2.gz MVEFMFNKBKAVHJ-UHFFFAOYSA-N -1 3 338.367 3.111 20 30 EGEDHM CCOc1nc2ccc(C(=O)N(CCC#N)Cc3ccco3)cc2[n-]1 ZINC000346306384 457030241 /nfs/dbraw/zinc/03/02/41/457030241.db2.gz MVEFMFNKBKAVHJ-UHFFFAOYSA-N -1 3 338.367 3.111 20 30 EGEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000330928045 457105206 /nfs/dbraw/zinc/10/52/06/457105206.db2.gz XEPMIGYGFXFIII-JTQLQIEISA-N -1 3 340.754 3.185 20 30 EGEDHM CC(C)n1cc(Br)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354466905 457242155 /nfs/dbraw/zinc/24/21/55/457242155.db2.gz NKKRQPSBYJNMFZ-LLVKDONJSA-N -1 3 333.189 3.112 20 30 EGEDHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccccc2F)n1)c1cccc(C#N)c1 ZINC000360155666 457279102 /nfs/dbraw/zinc/27/91/02/457279102.db2.gz MQTUQCRTVCTJTH-LLVKDONJSA-N -1 3 335.342 3.225 20 30 EGEDHM CC(C)CCN(CCC#N)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000354669591 457306544 /nfs/dbraw/zinc/30/65/44/457306544.db2.gz JXDKHKZKOWAWTK-UHFFFAOYSA-N -1 3 347.365 3.208 20 30 EGEDHM COc1ccc2nc(C)cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c2c1 ZINC000354938966 457330803 /nfs/dbraw/zinc/33/08/03/457330803.db2.gz HTFVAQPCOBQHIH-QGZVFWFLSA-N -1 3 346.390 3.449 20 30 EGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000393786941 457468489 /nfs/dbraw/zinc/46/84/89/457468489.db2.gz OUXNVGNVANABTK-SECBINFHSA-N -1 3 338.292 3.452 20 30 EGEDHM C=CCCN(C)[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000342724672 457480413 /nfs/dbraw/zinc/48/04/13/457480413.db2.gz DVDLTKFIIZUXEB-NSHDSACASA-N -1 3 349.456 3.039 20 30 EGEDHM COc1ccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000371396633 457907364 /nfs/dbraw/zinc/90/73/64/457907364.db2.gz RZAYTZWLVQLZPS-UHFFFAOYSA-N -1 3 334.375 3.202 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(=O)c3cc[nH]c3)cc2)nc(C)n1 ZINC000361995696 457996807 /nfs/dbraw/zinc/99/68/07/457996807.db2.gz HKQFSOMFMWDBFQ-KRWDZBQOSA-N -1 3 344.374 3.143 20 30 EGEDHM Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c(=O)[nH]1 ZINC000358656285 458132305 /nfs/dbraw/zinc/13/23/05/458132305.db2.gz XTZAERPXYUDTNL-CYBMUJFWSA-N -1 3 336.376 3.104 20 30 EGEDHM C[C@H](C#N)S(=O)(=O)[N-][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000416375759 458345342 /nfs/dbraw/zinc/34/53/42/458345342.db2.gz WJKPPDPHVGDVRJ-RNFRBKRXSA-N -1 3 325.192 3.025 20 30 EGEDHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(CC#N)cc1Cl ZINC000421147317 458408446 /nfs/dbraw/zinc/40/84/46/458408446.db2.gz DVJVSKSSTPCKLM-ZDUSSCGKSA-N -1 3 344.864 3.209 20 30 EGEDHM CCc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c([O-])c1 ZINC000373377631 458475221 /nfs/dbraw/zinc/47/52/21/458475221.db2.gz OQLVZALHSCQEHR-HKUYNNGSSA-N -1 3 328.412 3.022 20 30 EGEDHM Cc1nc2ccccc2cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000453613917 458538979 /nfs/dbraw/zinc/53/89/79/458538979.db2.gz CRUZXTKOFOSMEW-INIZCTEOSA-N -1 3 345.406 3.351 20 30 EGEDHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000461865542 458575519 /nfs/dbraw/zinc/57/55/19/458575519.db2.gz YYAPFKYNZGIIEH-PWSUYJOCSA-N -1 3 346.374 3.292 20 30 EGEDHM C=CCOc1cccc([N-]S(=O)(=O)CC2(C#N)CCCCC2)c1 ZINC000476502518 459003535 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Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc4c(s3)CCOC4)nc21 ZINC000522830665 459265802 /nfs/dbraw/zinc/26/58/02/459265802.db2.gz NBVGSJNBZFUXIU-LBPRGKRZSA-N -1 3 337.404 3.496 20 30 EGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000581551760 459274284 /nfs/dbraw/zinc/27/42/84/459274284.db2.gz YMPLJNDSSOTFCQ-UHFFFAOYSA-N -1 3 345.346 3.259 20 30 EGEDHM N#C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)C1CCCCC1 ZINC000582042279 459295831 /nfs/dbraw/zinc/29/58/31/459295831.db2.gz GJTPTXBGXHJKRN-OAHLLOKOSA-N -1 3 344.839 3.371 20 30 EGEDHM N#CC(=C([O-])c1ccc2c(c1)CCCC2=O)c1nnc2n1CCCCC2 ZINC000560350006 459329277 /nfs/dbraw/zinc/32/92/77/459329277.db2.gz DXOFDNKGGLGJLX-INIZCTEOSA-N -1 3 348.406 3.014 20 30 EGEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000541830124 459495069 /nfs/dbraw/zinc/49/50/69/459495069.db2.gz OPIJUDIOKCDCPF-LBPRGKRZSA-N -1 3 334.828 3.294 20 30 EGEDHM C=C[C@@H]1CCCCN1Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000489442480 459564044 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C=CCOc1ccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)cc1Cl ZINC000565495781 459784733 /nfs/dbraw/zinc/78/47/33/459784733.db2.gz PBDLBJPIMJMNAR-UHFFFAOYSA-N -1 3 342.782 3.401 20 30 EGEDHM N#CC(=C([O-])c1cnn(C2CC2)c1)c1nc2ccccc2n1C(F)F ZINC000528924460 459818471 /nfs/dbraw/zinc/81/84/71/459818471.db2.gz NRORIYVMIPRZEP-LBPRGKRZSA-N -1 3 341.321 3.453 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)c(Cl)c1 ZINC000588109488 459916260 /nfs/dbraw/zinc/91/62/60/459916260.db2.gz QGNRTHLBERIGHB-MRVPVSSYSA-N -1 3 345.207 3.498 20 30 EGEDHM CCOC(=O)c1sc([N-]C(=O)c2cc(C#N)cs2)c(C#N)c1C ZINC000610613476 460196466 /nfs/dbraw/zinc/19/64/66/460196466.db2.gz ZKFSWYCWNLMQPG-UHFFFAOYSA-N -1 3 345.405 3.290 20 30 EGEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000611113783 460290239 /nfs/dbraw/zinc/29/02/39/460290239.db2.gz JBZGVJPWZAUEHD-ZDUSSCGKSA-N -1 3 334.363 3.063 20 30 EGEDHM Cn1c2ccc(C([O-])=C(C#N)c3ccc4ccccc4n3)cc2[nH]c1=O ZINC000603627823 460328615 /nfs/dbraw/zinc/32/86/15/460328615.db2.gz 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CC1=NN(c2ccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)cc2)CC1 ZINC000049407646 520893164 /nfs/dbraw/zinc/89/31/64/520893164.db2.gz YJRPJONOXGMLOD-QGZVFWFLSA-N -1 3 333.395 3.170 20 30 EGEDHM COc1cc(C(=O)[N-]c2scc(C)c2C#N)c([N+](=O)[O-])cc1OC ZINC000344917677 536540940 /nfs/dbraw/zinc/54/09/40/536540940.db2.gz CTUKEIICMSFNEV-UHFFFAOYSA-N -1 3 347.352 3.106 20 30 EGEDHM COc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1Cl ZINC000137090672 546843466 /nfs/dbraw/zinc/84/34/66/546843466.db2.gz DQBHMHCCLINJRC-GFCCVEGCSA-N -1 3 344.802 3.157 20 30 EGEDHM Cc1cc(S(=O)(=O)N(C)C)cc(N=Cc2ccccc2[O-])c1C ZINC000747712596 574572193 /nfs/dbraw/zinc/57/21/93/574572193.db2.gz CMTRCUXWJOGUGI-UHFFFAOYSA-N -1 3 332.425 3.010 20 30 EGEDHM COC(=O)CSCc1cccc(N=Cc2cccc([O-])c2O)c1 ZINC000728438436 574749357 /nfs/dbraw/zinc/74/93/57/574749357.db2.gz WYOABGMSQNVEFO-UHFFFAOYSA-N -1 3 331.393 3.255 20 30 EGEDHM Cc1ccc(-c2cc(C(=O)OCc3ccc(F)cc3C#N)[n-]n2)o1 ZINC000728621622 574763085 /nfs/dbraw/zinc/76/30/85/574763085.db2.gz 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CCOc1ccc(/C=N/[C@H]2CCN(c3ccccc3F)C2=O)c([O-])c1 ZINC000732714392 575284164 /nfs/dbraw/zinc/28/41/64/575284164.db2.gz YZSYUYJOACTUEH-GKXUUXLPSA-N -1 3 342.370 3.154 20 30 EGEDHM COC(=O)Nc1ccc(CCN=Cc2c([O-])cccc2OC)cc1 ZINC000737440844 576229524 /nfs/dbraw/zinc/22/95/24/576229524.db2.gz SCNIWICRMBVWQO-UNOMPAQXSA-N -1 3 328.368 3.241 20 30 EGEDHM Cc1ncccc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737502460 576239549 /nfs/dbraw/zinc/23/95/49/576239549.db2.gz NVQUMCIPKHIZIT-UHFFFAOYSA-N -1 3 347.304 3.035 20 30 EGEDHM Cc1ncccc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737502460 576239551 /nfs/dbraw/zinc/23/95/51/576239551.db2.gz NVQUMCIPKHIZIT-UHFFFAOYSA-N -1 3 347.304 3.035 20 30 EGEDHM COc1ccc([C@H](N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C2CC2)cc1 ZINC000737964446 576276594 /nfs/dbraw/zinc/27/65/94/576276594.db2.gz KXXDJXREUBOZCD-RTBURBONSA-N -1 3 336.391 3.433 20 30 EGEDHM Cc1ccc(SCCN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738667609 576348655 /nfs/dbraw/zinc/34/86/55/576348655.db2.gz BBZIDZCVFOBCOI-QGZVFWFLSA-N -1 3 326.421 3.374 20 30 EGEDHM Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000739013319 576374013 /nfs/dbraw/zinc/37/40/13/576374013.db2.gz ZGMQUYZEQHQXAC-HNNXBMFYSA-N -1 3 347.374 3.081 20 30 EGEDHM N#Cc1ccc([C@H](NCc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000739105360 576378217 /nfs/dbraw/zinc/37/82/17/576378217.db2.gz GJIKCQOAYUSJBW-HNNXBMFYSA-N -1 3 345.196 3.236 20 30 EGEDHM C=CCCOC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000740202443 576564402 /nfs/dbraw/zinc/56/44/02/576564402.db2.gz BJFSEEVZRQIGEW-UHFFFAOYSA-N -1 3 345.848 3.150 20 30 EGEDHM CCCCOCCOCC/N=C/c1cc(Br)ccc1[O-] ZINC000743044054 576800630 /nfs/dbraw/zinc/80/06/30/576800630.db2.gz DGBFBTOKKXAUOV-SFQUDFHCSA-N -1 3 344.249 3.407 20 30 EGEDHM COc1cccc([O-])c1C=Nc1cccc(N2CCCNC2=O)c1 ZINC000743045012 576800676 /nfs/dbraw/zinc/80/06/76/576800676.db2.gz WJGNEYFCHDMWOU-UHFFFAOYSA-N -1 3 325.368 3.071 20 30 EGEDHM C[C@H](/N=C\c1ccc(O)c([O-])c1O)c1nc(-c2cccc(F)c2)no1 ZINC000743045534 576800691 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CCCCCCCCOCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000825271929 607786989 /nfs/dbraw/zinc/78/69/89/607786989.db2.gz QSHOBHOMUYDVAO-UHFFFAOYSA-N -1 3 345.447 3.207 20 30 EGEDHM CCCCCCCCOCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000825271929 607786990 /nfs/dbraw/zinc/78/69/90/607786990.db2.gz QSHOBHOMUYDVAO-UHFFFAOYSA-N -1 3 345.447 3.207 20 30 EGEDHM C=C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000823882624 608004486 /nfs/dbraw/zinc/00/44/86/608004486.db2.gz AOVMOIIEGGXILS-ZDUSSCGKSA-N -1 3 344.378 3.037 20 30 EGEDHM C=C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000823882624 608004487 /nfs/dbraw/zinc/00/44/87/608004487.db2.gz AOVMOIIEGGXILS-ZDUSSCGKSA-N -1 3 344.378 3.037 20 30 EGEDHM C=C(C)CN(C)c1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000823878125 609318393 /nfs/dbraw/zinc/31/83/93/609318393.db2.gz PYYKDTIXGAYMFJ-UHFFFAOYSA-N -1 3 346.341 3.029 20 30 EGEDHM C=C(C)CN(C)c1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000823878125 609318395 /nfs/dbraw/zinc/31/83/95/609318395.db2.gz 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CS(=O)(=O)c1cccc(NN=Cc2ccc3ccccc3c2[O-])c1 ZINC000814896158 1318842795 /nfs/dbraw/zinc/84/27/95/1318842795.db2.gz LQTOASJIBBNJPC-UHFFFAOYSA-N -1 3 340.404 3.395 20 30 EGEDHM CNC(=O)c1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1 ZINC000912859517 1318945540 /nfs/dbraw/zinc/94/55/40/1318945540.db2.gz ZTTGDAGNERQWLG-AVMBBCFPSA-N -1 3 325.339 3.274 20 30 EGEDHM CCCCCCCC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000816611285 1319192847 /nfs/dbraw/zinc/19/28/47/1319192847.db2.gz LWDMPSZWZGOQEO-KBPBESRZSA-N -1 3 335.448 3.227 20 30 EGEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(Br)s2)c1[O-] ZINC000914557525 1319343426 /nfs/dbraw/zinc/34/34/26/1319343426.db2.gz HWCJOWVOYCSTRD-UUASQNMZSA-N -1 3 341.230 3.031 20 30 EGEDHM [O-]c1ccc(CN=Nc2cncc(Cl)n2)cc1Br ZINC000914557585 1319343090 /nfs/dbraw/zinc/34/30/90/1319343090.db2.gz UBOXNFDFULSWKE-UHFFFAOYSA-N -1 3 327.569 3.044 20 30 EGEDHM CCCCCN1c2ccccc2C(=N[N-]c2ccc(Cl)nn2)C1=O ZINC000916287971 1319632937 /nfs/dbraw/zinc/63/29/37/1319632937.db2.gz 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UXCRIEXTCOZCHM-UHFFFAOYSA-N -1 3 326.278 3.186 20 30 EGEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCCCc2ccncc2)n1 ZINC001156407415 1380572536 /nfs/dbraw/zinc/57/25/36/1380572536.db2.gz VDBWNZZQSNRSHB-GIJQJNRQSA-N -1 3 337.836 3.100 20 30 EGEDHM N#CCc1cncc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157726076 1381015907 /nfs/dbraw/zinc/01/59/07/1381015907.db2.gz CVCGMGVIFXRLOM-UHFFFAOYSA-N -1 3 325.759 3.062 20 30 EGEDHM Cc1nc(NCc2ncccc2[O-])c(C#N)c(C)c1Br ZINC001169731602 1384179956 /nfs/dbraw/zinc/17/99/56/1384179956.db2.gz CHEAZCVPGNAJJC-UHFFFAOYSA-N -1 3 333.189 3.045 20 30 EGEDHM N#Cc1cc(Nc2cc(C(=O)N3CCCC3)ccc2F)ccc1[O-] ZINC001176215224 1385515857 /nfs/dbraw/zinc/51/58/57/1385515857.db2.gz VYTWFTXKYQSLBE-UHFFFAOYSA-N -1 3 325.343 3.383 20 30 EGEDHM N#Cc1cc(NC(=O)Cc2csc(Cc3ccccc3)n2)ccc1[O-] ZINC001177291768 1385900289 /nfs/dbraw/zinc/90/02/89/1385900289.db2.gz LOQOCEPVYOWQKQ-UHFFFAOYSA-N -1 3 349.415 3.492 20 30 EGEDHM CCCCCCC[C@H](C)C(=O)Nc1ncc(Br)[n-]c1=O ZINC001181133102 1386942320 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C=C(C)Cc1cccc(-c2nnc(N3CCC[C@H](CF)C3)n2C)c1[O-] ZINC001341828472 1390534580 /nfs/dbraw/zinc/53/45/80/1390534580.db2.gz ULZDBFUXZGJZGM-CQSZACIVSA-N -1 3 344.434 3.492 20 30 EGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(C(F)F)n(C)n3)nc21 ZINC001343274314 1390704137 /nfs/dbraw/zinc/70/41/37/1390704137.db2.gz NLCDSBVKCHRBOE-SECBINFHSA-N -1 3 329.310 3.033 20 30 EGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(Cl)nc1 ZINC001343469790 1390716186 /nfs/dbraw/zinc/71/61/86/1390716186.db2.gz IPABZJNIJNZGQH-JTQLQIEISA-N -1 3 334.162 3.350 20 30 EGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])C=Cc1nccs1 ZINC001347091963 1390999915 /nfs/dbraw/zinc/99/99/15/1390999915.db2.gz LASDIHHRGADIHZ-WWQCOOJYSA-N -1 3 331.784 3.157 20 30 EGEDHM C=C(C)Cc1cccc(-c2nnc(N3CCSC[C@H]3C)n2C)c1[O-] ZINC001351290584 1391621944 /nfs/dbraw/zinc/62/19/44/1391621944.db2.gz JWJXADZNDRKOFI-CYBMUJFWSA-N -1 3 344.484 3.248 20 30 EGEDHM C=C(C)CCC(=O)NC1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001756103693 1440977724 /nfs/dbraw/zinc/97/77/24/1440977724.db2.gz PSVZVTMRORADMO-UHFFFAOYSA-N -1 3 344.455 3.297 20 30 EGEDHM C=C(C)C[C@@H](C)C(=O)N(C)CCN(C(=O)c1ccccc1[O-])C(C)C ZINC001756690966 1441041383 /nfs/dbraw/zinc/04/13/83/1441041383.db2.gz BMLFMMXMAXAGDQ-MRXNPFEDSA-N -1 3 346.471 3.304 20 30 EGEDHM C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001757252544 1441084382 /nfs/dbraw/zinc/08/43/82/1441084382.db2.gz KUAOIOOIHUSYNS-HZPDHXFCSA-N -1 3 344.455 3.152 20 30 EGEDHM C=CCCC1(CNC(=O)c2cc(-c3nnn[n-]3)cs2)CCCC1 ZINC001573333813 947443219 /nfs/dbraw/zinc/44/32/19/947443219.db2.gz FVKPDVKWFYEPHA-UHFFFAOYSA-N -1 3 331.445 3.185 20 30 EGEDHM C=CCCC1(CNC(=O)c2cc(-c3nn[n-]n3)cs2)CCCC1 ZINC001573333813 947443228 /nfs/dbraw/zinc/44/32/28/947443228.db2.gz FVKPDVKWFYEPHA-UHFFFAOYSA-N -1 3 331.445 3.185 20 30 EGEDHM N#Cc1ccc(CN(CCOc2ccccc2C(=O)[O-])C2CC2)cc1 ZINC001594618430 956264817 /nfs/dbraw/zinc/26/48/17/956264817.db2.gz OEUMBQGIYBCTQS-UHFFFAOYSA-N -1 3 336.391 3.300 20 30 EGEDHM O=C([O-])C[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 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COCCOc1cc(C([O-])=C(C#N)c2ccccn2)nc2ccccc21 ZINC000136535130 454746879 /nfs/dbraw/zinc/74/68/79/454746879.db2.gz AGLNWSXMBGQEMJ-HNNXBMFYSA-N -1 3 347.374 3.145 20 30 EGEDHM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160813142 455502239 /nfs/dbraw/zinc/50/22/39/455502239.db2.gz QDRANRIWXQBCJL-JTQLQIEISA-N -1 3 340.857 3.183 20 30 EGEDHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000158866021 455333655 /nfs/dbraw/zinc/33/36/55/455333655.db2.gz AECXIOAXWCGWDX-UHFFFAOYSA-N -1 3 333.388 3.318 20 30 EGEDHM CC(C)OC(=O)[C@H](C)C/N=C/c1cc(Br)ccc1[O-] ZINC000173989692 455348650 /nfs/dbraw/zinc/34/86/50/455348650.db2.gz TWVVBVBSKXDXMJ-LYQMGENXSA-N -1 3 328.206 3.161 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1[O-] ZINC000271639601 455707490 /nfs/dbraw/zinc/70/74/90/455707490.db2.gz QXDBXYQXYYIYJL-ZYGRGVRPSA-N -1 3 346.814 3.190 20 30 EGEDHM CC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(OC)c(OC)c1 ZINC000285359095 455830127 /nfs/dbraw/zinc/83/01/27/455830127.db2.gz 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/nfs/dbraw/zinc/10/88/07/458108807.db2.gz MXGRDWLXXBKCIF-GFCCVEGCSA-N -1 3 341.392 3.047 20 30 EGEDHM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(F)cc1 ZINC000428266488 458110347 /nfs/dbraw/zinc/11/03/47/458110347.db2.gz DVTQQZFWTBSTSC-MRXNPFEDSA-N -1 3 347.415 3.158 20 30 EGEDHM C=CC[C@H]1N(C(=O)c2c[n-]c3ccncc3c2=O)CCCC1(C)C ZINC000412299201 458158936 /nfs/dbraw/zinc/15/89/36/458158936.db2.gz ZWDZCRVTXFCVAN-MRXNPFEDSA-N -1 3 325.412 3.130 20 30 EGEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC(F)(F)F ZINC000416601898 458350576 /nfs/dbraw/zinc/35/05/76/458350576.db2.gz JKWREFROKQHNBY-QMMMGPOBSA-N -1 3 340.754 3.078 20 30 EGEDHM CN(CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)Cc1ccccc1 ZINC000418900586 458376983 /nfs/dbraw/zinc/37/69/83/458376983.db2.gz MYZQGQTXZAUSAF-UHFFFAOYSA-N -1 3 340.471 3.474 20 30 EGEDHM N#CCc1ccc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000451328377 458474014 /nfs/dbraw/zinc/47/40/14/458474014.db2.gz IDUYNZSSDCBACL-LLVKDONJSA-N -1 3 348.802 3.262 20 30 EGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCc2cccc(Cl)c2)C1 ZINC000508191293 458758060 /nfs/dbraw/zinc/75/80/60/458758060.db2.gz NZLKAPOEAONLPC-CZUORRHYSA-N -1 3 340.876 3.274 20 30 EGEDHM C[C@H](C(=O)[N-][C@@H](C#N)c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000530638789 458803204 /nfs/dbraw/zinc/80/32/04/458803204.db2.gz BXXPFXDCLZOVFJ-XCBNKYQSSA-N -1 3 340.223 3.464 20 30 EGEDHM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440418678 458811340 /nfs/dbraw/zinc/81/13/40/458811340.db2.gz UVFWHHHWJKUVCD-WFASDCNBSA-N -1 3 334.828 3.464 20 30 EGEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000553039333 458893672 /nfs/dbraw/zinc/89/36/72/458893672.db2.gz LYKIHEZVDCTCMI-UHFFFAOYSA-N -1 3 327.359 3.027 20 30 EGEDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)C[C@H]1c1ccccc1 ZINC000577008654 458964179 /nfs/dbraw/zinc/96/41/79/458964179.db2.gz ROMPSCNTLJSILP-YJBOKZPZSA-N -1 3 344.411 3.169 20 30 EGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC000594719604 459140682 /nfs/dbraw/zinc/14/06/82/459140682.db2.gz DDARYHVHHHHTHP-UHFFFAOYSA-N -1 3 326.437 3.150 20 30 EGEDHM CC(C)(C)OC(=O)Nc1cccc(C([O-])=C(C#N)c2ccccn2)n1 ZINC000496458375 459199584 /nfs/dbraw/zinc/19/95/84/459199584.db2.gz XZJZROJQJNBGPB-GFCCVEGCSA-N -1 3 338.367 3.314 20 30 EGEDHM C=CCON=C([O-])Nc1cc(NC(=O)OC(C)(C)C)ccc1F ZINC000497115625 459446100 /nfs/dbraw/zinc/44/61/00/459446100.db2.gz LJMGXRJLHQPNTR-UHFFFAOYSA-N -1 3 325.340 3.412 20 30 EGEDHM CCC[C@H](CC)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000561500895 459458510 /nfs/dbraw/zinc/45/85/10/459458510.db2.gz CXMQEIOZULIROW-JTQLQIEISA-N -1 3 345.262 3.178 20 30 EGEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1cc(OC)c(OCCC)c(OC)c1 ZINC000493360242 459742003 /nfs/dbraw/zinc/74/20/03/459742003.db2.gz WATCICDQQSXMRU-YXVBKTCISA-N -1 3 335.400 3.128 20 30 EGEDHM N#Cc1ccc(Cl)c(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)c1 ZINC000602211694 459867495 /nfs/dbraw/zinc/86/74/95/459867495.db2.gz YXQZTAGVDDSSSQ-LLVKDONJSA-N -1 3 334.788 3.167 20 30 EGEDHM C[C@@H](c1ccccc1)n1ccc([N-]c2ccc(C#N)cc2[N+](=O)[O-])n1 ZINC000610735306 460228689 /nfs/dbraw/zinc/22/86/89/460228689.db2.gz XIMRQVYYZMAETI-ZDUSSCGKSA-N -1 3 333.351 3.438 20 30 EGEDHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000614856680 460234613 /nfs/dbraw/zinc/23/46/13/460234613.db2.gz IVCJDVCBTIUXRE-UHFFFAOYSA-N -1 3 340.754 3.221 20 30 EGEDHM CC1(C)Cc2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc2O1 ZINC000619463399 460363646 /nfs/dbraw/zinc/36/36/46/460363646.db2.gz UXYVQBYXCZPQAU-UHFFFAOYSA-N -1 3 342.420 3.267 20 30 EGEDHM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccccc1CC#N)C(F)(F)F ZINC000601390983 460803471 /nfs/dbraw/zinc/80/34/71/460803471.db2.gz LNTDNTBSWDHNPE-CYBMUJFWSA-N -1 3 348.390 3.398 20 30 EGEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(Br)c(F)c1F ZINC000630458656 461131171 /nfs/dbraw/zinc/13/11/71/461131171.db2.gz DCNYYZVRCFSVPO-SECBINFHSA-N -1 3 334.160 3.236 20 30 EGEDHM N#CC(=C([O-])c1ccnn1CC1CCC1)c1cnc2ccccc2n1 ZINC000633980299 461368697 /nfs/dbraw/zinc/36/86/97/461368697.db2.gz PRAAOTSEQLLIOL-CQSZACIVSA-N -1 3 331.379 3.116 20 30 EGEDHM N#CC(=C([O-])c1ccc(-n2cnc3ccccc32)cc1)c1ccncn1 ZINC000354467121 547707332 /nfs/dbraw/zinc/70/73/32/547707332.db2.gz NSRJOYXXZLVWON-INIZCTEOSA-N -1 3 339.358 3.306 20 30 EGEDHM C[C@]([N-]C(=O)COCC(F)(F)F)(c1ccc(F)cc1)C(F)(F)F ZINC000679767457 549774220 /nfs/dbraw/zinc/77/42/20/549774220.db2.gz GLMHBBONRHKIRW-NSHDSACASA-N -1 3 347.230 3.298 20 30 EGEDHM N#CCOc1ccc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)cc1 ZINC000727675766 574683181 /nfs/dbraw/zinc/68/31/81/574683181.db2.gz GVWLHFCRDRWGCD-UHFFFAOYSA-N -1 3 334.297 3.136 20 30 EGEDHM COc1cccc(NC(=S)NN=C(C)c2ccc([O-])cc2F)c1 ZINC000729932067 574897260 /nfs/dbraw/zinc/89/72/60/574897260.db2.gz BGUJWYKEDKMSGV-UHFFFAOYSA-N -1 3 333.388 3.251 20 30 EGEDHM N#Cc1ccc(SCCOc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000737723151 575269541 /nfs/dbraw/zinc/26/95/41/575269541.db2.gz RYEZREKNJBEIMD-UHFFFAOYSA-N -1 3 341.371 3.049 20 30 EGEDHM N#Cc1ccc(SCCOc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737723151 575269544 /nfs/dbraw/zinc/26/95/44/575269544.db2.gz RYEZREKNJBEIMD-UHFFFAOYSA-N -1 3 341.371 3.049 20 30 EGEDHM C=C1CCN(c2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)CC1 ZINC000735402524 575657433 /nfs/dbraw/zinc/65/74/33/575657433.db2.gz DPSRGYJPEPHXEQ-UHFFFAOYSA-N -1 3 345.410 3.132 20 30 EGEDHM C=C1CCN(c2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)CC1 ZINC000735402524 575657435 /nfs/dbraw/zinc/65/74/35/575657435.db2.gz DPSRGYJPEPHXEQ-UHFFFAOYSA-N -1 3 345.410 3.132 20 30 EGEDHM C=CCN(Cc1sc(C)nc1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735426527 575659947 /nfs/dbraw/zinc/65/99/47/575659947.db2.gz RHAZNXBTSLVNKE-UHFFFAOYSA-N -1 3 340.456 3.128 20 30 EGEDHM C=CCN(Cc1sc(C)nc1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735426527 575659950 /nfs/dbraw/zinc/65/99/50/575659950.db2.gz RHAZNXBTSLVNKE-UHFFFAOYSA-N -1 3 340.456 3.128 20 30 EGEDHM C=CCCOC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000735417054 575664170 /nfs/dbraw/zinc/66/41/70/575664170.db2.gz YEOHURZXEUUXCT-UHFFFAOYSA-N -1 3 337.383 3.007 20 30 EGEDHM C=CCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735417054 575664172 /nfs/dbraw/zinc/66/41/72/575664172.db2.gz YEOHURZXEUUXCT-UHFFFAOYSA-N -1 3 337.383 3.007 20 30 EGEDHM CCOc1ccc(Cl)cc1C(C)=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000735972155 575743024 /nfs/dbraw/zinc/74/30/24/575743024.db2.gz NWAUWOWTHCWKGH-UHFFFAOYSA-N -1 3 330.779 3.241 20 30 EGEDHM Cc1cccc(CC(=N[N-]S(=O)(=O)Cc2ccccc2)C2CC2)c1 ZINC000736430066 575959824 /nfs/dbraw/zinc/95/98/24/575959824.db2.gz MWVKHHMGNJOSEG-UHFFFAOYSA-N -1 3 342.464 3.423 20 30 EGEDHM N#Cc1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000737719406 576261121 /nfs/dbraw/zinc/26/11/21/576261121.db2.gz UFGNGKXMFATMOF-UHFFFAOYSA-N -1 3 329.335 3.309 20 30 EGEDHM N#Cc1ccc(CSc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000737719406 576261124 /nfs/dbraw/zinc/26/11/24/576261124.db2.gz UFGNGKXMFATMOF-UHFFFAOYSA-N -1 3 329.335 3.309 20 30 EGEDHM N#CC(C(=O)Nc1ccccc1C(=O)[O-])c1nc2ccccc2s1 ZINC000739074476 576376907 /nfs/dbraw/zinc/37/69/07/576376907.db2.gz KCRRCZYTVRZEDB-LLVKDONJSA-N -1 3 337.360 3.240 20 30 EGEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCC(OC3CCCC3)CC2)cc1 ZINC000739106445 576378109 /nfs/dbraw/zinc/37/81/09/576378109.db2.gz SADUMGDTLRMVRG-GOSISDBHSA-N -1 3 328.412 3.108 20 30 EGEDHM N#Cc1ccc([C@@H](NCc2ccccc2C(F)(F)F)C(=O)[O-])cc1 ZINC000739108629 576378288 /nfs/dbraw/zinc/37/82/88/576378288.db2.gz VTVQMNVWLGOUPI-OAHLLOKOSA-N -1 3 334.297 3.493 20 30 EGEDHM C[C@@H](/N=C\c1ccc(O)c([O-])c1O)c1nc(-c2cccc(F)c2)no1 ZINC000743045533 576800674 /nfs/dbraw/zinc/80/06/74/576800674.db2.gz NXCABTJFXWIIKJ-QTCOOLGCSA-N -1 3 343.314 3.173 20 30 EGEDHM CC(=NNc1cccc(C(=O)[O-])c1)c1cccc(OCCN(C)C)c1 ZINC000743526883 576811131 /nfs/dbraw/zinc/81/11/31/576811131.db2.gz WYBVOZCPAZZHKP-UHFFFAOYSA-N -1 3 341.411 3.161 20 30 EGEDHM CCCCC[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000821049306 599631231 /nfs/dbraw/zinc/63/12/31/599631231.db2.gz KLHOUOOPWLHEBX-LBPRGKRZSA-N -1 3 326.404 3.283 20 30 EGEDHM CCCCC[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000821049306 599631232 /nfs/dbraw/zinc/63/12/32/599631232.db2.gz KLHOUOOPWLHEBX-LBPRGKRZSA-N -1 3 326.404 3.283 20 30 EGEDHM CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821417092 607455890 /nfs/dbraw/zinc/45/58/90/607455890.db2.gz ISBTXUOGEBWZOU-YFHOEESVSA-N -1 3 338.342 3.301 20 30 EGEDHM CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821417092 607455892 /nfs/dbraw/zinc/45/58/92/607455892.db2.gz ISBTXUOGEBWZOU-YFHOEESVSA-N -1 3 338.342 3.301 20 30 EGEDHM CN(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1cccc(C#N)c1 ZINC000830791994 600816257 /nfs/dbraw/zinc/81/62/57/600816257.db2.gz KUHCCVBSTXVYOK-UHFFFAOYSA-N -1 3 344.798 3.421 20 30 EGEDHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000832226531 601298441 /nfs/dbraw/zinc/29/84/41/601298441.db2.gz OVSSXFKBXBSEIL-DIFFPNOSSA-N -1 3 328.343 3.182 20 30 EGEDHM COc1ccc2c(c1)CCC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000821849603 606388809 /nfs/dbraw/zinc/38/88/09/606388809.db2.gz MVGVBINLRNYVSZ-PKNBQFBNSA-N -1 3 338.392 3.149 20 30 EGEDHM CCC(=[NH+][N-]c1cccc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC000820831861 607036213 /nfs/dbraw/zinc/03/62/13/607036213.db2.gz DILNMZMGXGFZPJ-UHFFFAOYSA-N -1 3 335.415 3.159 20 30 EGEDHM CCC(=[NH+][N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC000820831861 607036215 /nfs/dbraw/zinc/03/62/15/607036215.db2.gz DILNMZMGXGFZPJ-UHFFFAOYSA-N -1 3 335.415 3.159 20 30 EGEDHM N#Cc1cccc(COc2ccc(-c3nnn[n-]3)cc2Cl)c1F ZINC000826386409 608670125 /nfs/dbraw/zinc/67/01/25/608670125.db2.gz CNBVPHHHYVUYKB-UHFFFAOYSA-N -1 3 329.722 3.110 20 30 EGEDHM N#Cc1cccc(COc2ccc(-c3nn[n-]n3)cc2Cl)c1F ZINC000826386409 608670126 /nfs/dbraw/zinc/67/01/26/608670126.db2.gz CNBVPHHHYVUYKB-UHFFFAOYSA-N -1 3 329.722 3.110 20 30 EGEDHM COc1cc(C(=O)/C=C/c2ccc(-n3cncn3)c(C)c2)ccc1[O-] ZINC000078692987 1292519705 /nfs/dbraw/zinc/51/97/05/1292519705.db2.gz GFZHMWSWYAUVHT-QPJJXVBHSA-N -1 3 335.363 3.186 20 30 EGEDHM CC(C)Oc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1C#N ZINC000830674107 1292751781 /nfs/dbraw/zinc/75/17/81/1292751781.db2.gz IEHVOOASISNZLH-UHFFFAOYSA-N -1 3 338.289 3.340 20 30 EGEDHM CC(C)Oc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1C#N ZINC000830674107 1292751788 /nfs/dbraw/zinc/75/17/88/1292751788.db2.gz IEHVOOASISNZLH-UHFFFAOYSA-N -1 3 338.289 3.340 20 30 EGEDHM C=CCC1(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CCCC1 ZINC000831153308 1292821282 /nfs/dbraw/zinc/82/12/82/1292821282.db2.gz DBACOMBZYFJWPD-UHFFFAOYSA-N -1 3 346.393 3.040 20 30 EGEDHM Cc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000100949169 1292966243 /nfs/dbraw/zinc/96/62/43/1292966243.db2.gz ZRUBJGCOCRKYMB-LBPRGKRZSA-N -1 3 333.800 3.375 20 30 EGEDHM CC(=NN[C@@H]1CCOC1(C)C)c1ccc(Br)cc1[O-] ZINC000835015715 1293188358 /nfs/dbraw/zinc/18/83/58/1293188358.db2.gz ASABKAIWMSYEQR-CYBMUJFWSA-N -1 3 327.222 3.036 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000122931914 1293429494 /nfs/dbraw/zinc/42/94/94/1293429494.db2.gz CXCCBKBPZHNASW-NVGCLXPQSA-N -1 3 330.428 3.164 20 30 EGEDHM C=CCOC(=O)c1sc2[n-]c([C@@H]3CCCS3)nc(=O)c2c1C ZINC000129490905 1293624799 /nfs/dbraw/zinc/62/47/99/1293624799.db2.gz HTPCGUIXFFZIRU-VIFPVBQESA-N -1 3 336.438 3.204 20 30 EGEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000134852507 1293782600 /nfs/dbraw/zinc/78/26/00/1293782600.db2.gz ZAVPXCKFAUPKRW-UHFFFAOYSA-N -1 3 334.146 3.390 20 30 EGEDHM CC(=Cc1cccc(Cl)c1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000179182631 1294776873 /nfs/dbraw/zinc/77/68/73/1294776873.db2.gz JWHQCHWWIUZECF-ZHZWZMEUSA-N -1 3 327.771 3.069 20 30 EGEDHM CC(=Cc1cccc(Cl)c1)C([O-])=C(C#N)C(=O)c1nccn1C ZINC000179182631 1294776880 /nfs/dbraw/zinc/77/68/80/1294776880.db2.gz JWHQCHWWIUZECF-ZHZWZMEUSA-N -1 3 327.771 3.069 20 30 EGEDHM CC(=Cc1ccccc1Cl)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000179414924 1294793275 /nfs/dbraw/zinc/79/32/75/1294793275.db2.gz WNPSKTGFMLHSBA-STRFDMGBSA-N -1 3 327.771 3.069 20 30 EGEDHM CC(=Cc1ccccc1Cl)C([O-])=C(C#N)C(=O)c1nccn1C ZINC000179414924 1294793286 /nfs/dbraw/zinc/79/32/86/1294793286.db2.gz WNPSKTGFMLHSBA-STRFDMGBSA-N -1 3 327.771 3.069 20 30 EGEDHM C=C(C)[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(F)c(F)c1 ZINC000186054330 1295301692 /nfs/dbraw/zinc/30/16/92/1295301692.db2.gz KTIQQUWXWQKYSW-CYBMUJFWSA-N -1 3 331.309 3.249 20 30 EGEDHM N#CC(=C([O-])C=CCCc1ccccc1)c1nnc2n1CCCCC2 ZINC000870162367 1295713423 /nfs/dbraw/zinc/71/34/23/1295713423.db2.gz GZNWLYSXMQWLMJ-UUKWBXHYSA-N -1 3 334.423 3.370 20 30 EGEDHM O=C1[C@H](/N=C\c2cc(Cl)ccc2[O-])CCN1c1ccccc1F ZINC000255360919 1296524342 /nfs/dbraw/zinc/52/43/42/1296524342.db2.gz RMVMXNNVORZKRA-IPZKOZABSA-N -1 3 332.762 3.409 20 30 EGEDHM [O-]c1c(O)ccc(C=Nc2ccc(F)cc2Br)c1O ZINC000255847132 1296572598 /nfs/dbraw/zinc/57/25/98/1296572598.db2.gz RMULZBFYYBQOPV-UHFFFAOYSA-N -1 3 326.121 3.456 20 30 EGEDHM N#Cc1cccc(C(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000751730949 1299606873 /nfs/dbraw/zinc/60/68/73/1299606873.db2.gz FMPJHHJXEFCMSS-UHFFFAOYSA-N -1 3 333.702 3.096 20 30 EGEDHM CC(C)c1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c(C(C)C)c1 ZINC000878177213 1299798362 /nfs/dbraw/zinc/79/83/62/1299798362.db2.gz SDXQUTORZQYMCC-INIZCTEOSA-N -1 3 333.432 3.435 20 30 EGEDHM C=CCn1c(=O)[n-]nc1SCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000759717514 1301148530 /nfs/dbraw/zinc/14/85/30/1301148530.db2.gz LRPYSNSCEGTTNN-UHFFFAOYSA-N -1 3 326.765 3.024 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1Cc1ccccc1 ZINC000760333646 1301255262 /nfs/dbraw/zinc/25/52/62/1301255262.db2.gz LZFPHVATQZGCQK-SFHVURJKSA-N -1 3 330.391 3.433 20 30 EGEDHM N#Cc1c(F)ccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1Cl ZINC000761479521 1301480570 /nfs/dbraw/zinc/48/05/70/1301480570.db2.gz WETNBMFUWGTTOC-GHXNOFRVSA-N -1 3 326.714 3.161 20 30 EGEDHM O=C1CN(N=Cc2ccccc2Oc2ccc(F)cc2Cl)C(=O)[N-]1 ZINC000763407619 1301896526 /nfs/dbraw/zinc/89/65/26/1301896526.db2.gz NUZVZTSPQPLHGR-UHFFFAOYSA-N -1 3 347.733 3.157 20 30 EGEDHM Cc1cn(-c2ccc(C#N)cn2)nc1NCc1c([O-])cccc1Cl ZINC000763470062 1301909674 /nfs/dbraw/zinc/90/96/74/1301909674.db2.gz FMLARNKAXYSTHY-UHFFFAOYSA-N -1 3 339.786 3.419 20 30 EGEDHM C[C@@H](OC(=O)c1cccc(Cl)c1[O-])C(=O)Nc1ccccc1C#N ZINC000775934809 1304064338 /nfs/dbraw/zinc/06/43/38/1304064338.db2.gz QLSOQTKAGZSUAT-SNVBAGLBSA-N -1 3 344.754 3.101 20 30 EGEDHM Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776274995 1304126674 /nfs/dbraw/zinc/12/66/74/1304126674.db2.gz QYJLCXJUCFDXOZ-UHFFFAOYSA-N -1 3 344.754 3.021 20 30 EGEDHM CC(=NN[C@@H]1CCOC(C)(C)C1)c1cc(Br)ccc1[O-] ZINC000780247341 1304664093 /nfs/dbraw/zinc/66/40/93/1304664093.db2.gz RODZWRDXLGGNEV-GFCCVEGCSA-N -1 3 341.249 3.426 20 30 EGEDHM COc1ccc(C2(C/N=C/c3c([O-])c(C)ncc3CO)CCC2)cc1 ZINC000783685344 1305128697 /nfs/dbraw/zinc/12/86/97/1305128697.db2.gz MTIKTJYIPCYDLH-SRZZPIQSSA-N -1 3 340.423 3.137 20 30 EGEDHM O=C1Nc2cc([O-])ccc2C1=NNCc1cccc(Cl)c1Cl ZINC000790181990 1306273132 /nfs/dbraw/zinc/27/31/32/1306273132.db2.gz UPEXJWGNBZEZPR-UHFFFAOYSA-N -1 3 336.178 3.145 20 30 EGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ncc(CN(C)C)s1 ZINC000794700809 1309577932 /nfs/dbraw/zinc/57/79/32/1309577932.db2.gz YXMMVMOGOVCNGT-ISAHRAOESA-N -1 3 332.400 3.433 20 30 EGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1occ2c1CCC2 ZINC000796781402 1310087053 /nfs/dbraw/zinc/08/70/53/1310087053.db2.gz XYXXPBINAIYZGU-CQSZACIVSA-N -1 3 328.755 3.383 20 30 EGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@@H](c2cccnc2)C1 ZINC000799876983 1310632070 /nfs/dbraw/zinc/63/20/70/1310632070.db2.gz IAUZRUBJEWZDNS-MRXNPFEDSA-N -1 3 343.452 3.215 20 30 EGEDHM O=C(c1ccc2[nH]c(=O)[nH]c2c1)N([O-])Cc1cccc2ccccc21 ZINC000900091826 1317234091 /nfs/dbraw/zinc/23/40/91/1317234091.db2.gz PBLXFHXOPROQEF-UHFFFAOYSA-N -1 3 333.347 3.453 20 30 EGEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(O)c1[O-] ZINC000804561278 1317259948 /nfs/dbraw/zinc/25/99/48/1317259948.db2.gz ZJTOQNVJWVAERQ-UHFFFAOYSA-N -1 3 329.400 3.094 20 30 EGEDHM O=C(CC[C@H]1Cc2ccccc2NC1=O)N([O-])Cc1ccc(F)cc1 ZINC000901375706 1317411957 /nfs/dbraw/zinc/41/19/57/1317411957.db2.gz KSVRYMFZDQVDBK-HNNXBMFYSA-N -1 3 342.370 3.135 20 30 EGEDHM O=C(Nc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1)C1CC1 ZINC000901376409 1317413970 /nfs/dbraw/zinc/41/39/70/1317413970.db2.gz UOYCXTLGTBUIOT-UHFFFAOYSA-N -1 3 328.343 3.206 20 30 EGEDHM C=CCN(CC(=O)[O-])Cc1ccc(Br)cc1SC ZINC000901585236 1317448686 /nfs/dbraw/zinc/44/86/86/1317448686.db2.gz ABYXTCVUEIIBAV-UHFFFAOYSA-N -1 3 330.247 3.244 20 30 EGEDHM C#CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000901646364 1317458093 /nfs/dbraw/zinc/45/80/93/1317458093.db2.gz FASXDSONOCKXIN-IBGZPJMESA-N -1 3 339.391 3.013 20 30 EGEDHM O=C1Nc2c(c(Cl)ccc2F)C1=N[N-]c1nccnc1C1CCC1 ZINC000807994860 1317610044 /nfs/dbraw/zinc/61/00/44/1317610044.db2.gz VIFRXAWEWIWRNJ-UHFFFAOYSA-N -1 3 345.765 3.305 20 30 EGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(C(F)(F)F)c2)c1 ZINC000808979472 1317756150 /nfs/dbraw/zinc/75/61/50/1317756150.db2.gz IYQWBGDHFUUQQM-ZDUSSCGKSA-N -1 3 347.296 3.370 20 30 EGEDHM C#Cc1ccc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cc1 ZINC000809572008 1317835127 /nfs/dbraw/zinc/83/51/27/1317835127.db2.gz GOZQVBYRYRVYJM-UHFFFAOYSA-N -1 3 343.810 3.202 20 30 EGEDHM N#Cc1cc([O-])cc(C(=O)OCc2coc(-c3cccc(F)c3)n2)c1 ZINC000811186631 1318119754 /nfs/dbraw/zinc/11/97/54/1318119754.db2.gz RXOLABAMTWVSDW-UHFFFAOYSA-N -1 3 338.294 3.415 20 30 EGEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)c1 ZINC000811186097 1318120271 /nfs/dbraw/zinc/12/02/71/1318120271.db2.gz BYGWFEZZZYTGAS-UHFFFAOYSA-N -1 3 346.342 3.213 20 30 EGEDHM C#C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(Cl)cc1 ZINC000811945531 1318294337 /nfs/dbraw/zinc/29/43/37/1318294337.db2.gz WGLXSODHYDUJEZ-AWEZNQCLSA-N -1 3 337.766 3.093 20 30 EGEDHM Cc1ncc(CO)c(/C=N/CCc2csc3ccccc23)c1[O-] ZINC000915981073 1319578157 /nfs/dbraw/zinc/57/81/57/1319578157.db2.gz LJZSYEXKWJSTGW-DJKKODMXSA-N -1 3 326.421 3.464 20 30 EGEDHM CN(CCC#N)c1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000841799568 1321314953 /nfs/dbraw/zinc/31/49/53/1321314953.db2.gz VEHZVWTWPRTGJY-INIZCTEOSA-N -1 3 329.425 3.013 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](C)CC(F)F ZINC000842441286 1321387498 /nfs/dbraw/zinc/38/74/98/1321387498.db2.gz OQMLAJPYQGVQTK-SECBINFHSA-N -1 3 326.343 3.043 20 30 EGEDHM COc1ccc(C=NN2CCCC[C@@H]2C)c(Br)c1[O-] ZINC000853380913 1325087508 /nfs/dbraw/zinc/08/75/08/1325087508.db2.gz XYXADOGZYWSRQM-JTQLQIEISA-N -1 3 327.222 3.372 20 30 EGEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000862132927 1329460950 /nfs/dbraw/zinc/46/09/50/1329460950.db2.gz PGEFDAGPIJSVJS-AWEZNQCLSA-N -1 3 326.396 3.071 20 30 EGEDHM N#Cc1sccc1[N-]C(=O)c1nc(C2CC2)ncc1Br ZINC001195970642 1368525180 /nfs/dbraw/zinc/52/51/80/1368525180.db2.gz JCKYTHCDSOZVLL-UHFFFAOYSA-N -1 3 349.213 3.302 20 30 EGEDHM C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001065864895 1352900935 /nfs/dbraw/zinc/90/09/35/1352900935.db2.gz MIGPFSZCJGXXGU-CVEARBPZSA-N -1 3 344.455 3.105 20 30 EGEDHM C=C(C)C[C@H](C)C(=O)NC1(C)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001072883366 1355483295 /nfs/dbraw/zinc/48/32/95/1355483295.db2.gz NKSOJFFKTLROPF-HNNXBMFYSA-N -1 3 344.455 3.105 20 30 EGEDHM C=CCC1(S(=O)(=O)[N-]c2cccc3c2NC(=O)CC3(C)C)CC1 ZINC001190815090 1367357357 /nfs/dbraw/zinc/35/73/57/1367357357.db2.gz AXYVCJZDXXNTIV-UHFFFAOYSA-N -1 3 334.441 3.157 20 30 EGEDHM C[C@H](C#N)c1ccc([N-]S(=O)(=O)Cc2noc3ccccc23)cc1 ZINC001194093454 1368181451 /nfs/dbraw/zinc/18/14/51/1368181451.db2.gz YQTPBBAVBUZRSE-GFCCVEGCSA-N -1 3 341.392 3.397 20 30 EGEDHM C[C@](C#N)([N-]S(=O)(=O)CC[Si](C)(C)C)c1ccccc1Cl ZINC001195092627 1368376217 /nfs/dbraw/zinc/37/62/17/1368376217.db2.gz TVDHKKCCJBNVNE-CQSZACIVSA-N -1 3 344.940 3.336 20 30 EGEDHM N#Cc1cccc(-c2cc(C(=O)Nc3ccc([O-])c(C#N)c3)no2)c1 ZINC001196769076 1368680090 /nfs/dbraw/zinc/68/00/90/1368680090.db2.gz XXJITLXCIXOBQW-UHFFFAOYSA-N -1 3 330.303 3.043 20 30 EGEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cc(OC(F)F)ccn1 ZINC001199315041 1369206904 /nfs/dbraw/zinc/20/69/04/1369206904.db2.gz XHNTXYGLLOITFI-UHFFFAOYSA-N -1 3 325.221 3.085 20 30 EGEDHM C=CCc1c(F)c(F)c(C(=O)[N-]c2[nH]c(=O)ncc2C)c(F)c1F ZINC001186737123 1388002186 /nfs/dbraw/zinc/00/21/86/1388002186.db2.gz GAMRYVQNCXWZCQ-UHFFFAOYSA-N -1 3 341.264 3.028 20 30 EGEDHM C=CC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C(=O)OCC ZINC001116567659 1370938423 /nfs/dbraw/zinc/93/84/23/1370938423.db2.gz HOFNWXSYUMYHHR-LBPRGKRZSA-N -1 3 331.746 3.056 20 30 EGEDHM C=CCn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCCC1 ZINC001121721910 1372059469 /nfs/dbraw/zinc/05/94/69/1372059469.db2.gz VEWABERPYQXACA-UHFFFAOYSA-N -1 3 332.835 3.209 20 30 EGEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCN(Cc3ccccc3Cl)C2)[n-]1 ZINC001225468625 1375114296 /nfs/dbraw/zinc/11/42/96/1375114296.db2.gz BQZSOJFDWRUADE-CQSZACIVSA-N -1 3 343.814 3.274 20 30 EGEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCN(Cc3ccccc3Cl)C2)[n-]1 ZINC001225468623 1375114383 /nfs/dbraw/zinc/11/43/83/1375114383.db2.gz BQZSOJFDWRUADE-AWEZNQCLSA-N -1 3 343.814 3.274 20 30 EGEDHM C=CC[C@@H]1[C@H](Oc2nc[n-]c(=O)c2C)CCCN1C(=O)OC(C)(C)C ZINC001226076009 1375199269 /nfs/dbraw/zinc/19/92/69/1375199269.db2.gz KJRLYWRRPMHZDL-ZIAGYGMSSA-N -1 3 349.431 3.214 20 30 EGEDHM CC(C)(C)OC(=O)N1CC2(CC[C@H]2Oc2cccc(/C=N/[O-])c2)C1 ZINC001226113901 1375205337 /nfs/dbraw/zinc/20/53/37/1375205337.db2.gz BHXSTLFCUYPJAR-GDXCHIGESA-N -1 3 332.400 3.273 20 30 EGEDHM CC1(C)Oc2cc([O-])cc(O[C@@H](C#N)c3ccccc3F)c2C(=O)O1 ZINC001228080147 1375516145 /nfs/dbraw/zinc/51/61/45/1375516145.db2.gz UKTYJEFQNBRRSG-HNNXBMFYSA-N -1 3 343.310 3.460 20 30 EGEDHM N#Cc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)c([O-])c1 ZINC001233386497 1376633752 /nfs/dbraw/zinc/63/37/52/1376633752.db2.gz WHDNVGHAZNYBKV-UHFFFAOYSA-N -1 3 341.842 3.235 20 30 EGEDHM N#Cc1ccc(CN2CCc3nn(-c4ccccc4)cc3C2)c([O-])c1 ZINC001233386892 1376635321 /nfs/dbraw/zinc/63/53/21/1376635321.db2.gz MLCRNULEQFKFRB-UHFFFAOYSA-N -1 3 330.391 3.008 20 30 EGEDHM N#Cc1ccccc1N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461572 1378066093 /nfs/dbraw/zinc/06/60/93/1378066093.db2.gz MGKNHBPGHMKTKV-UHFFFAOYSA-N -1 3 327.815 3.239 20 30 EGEDHM N#Cc1ccc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)c(F)c1 ZINC001140466099 1378068009 /nfs/dbraw/zinc/06/80/09/1378068009.db2.gz WZOUCIZEHZFAHQ-UHFFFAOYSA-N -1 3 345.805 3.379 20 30 EGEDHM CC(C)(CNC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)c1ccccc1 ZINC001154558874 1380305514 /nfs/dbraw/zinc/30/55/14/1380305514.db2.gz BGODHEFXVSUPNR-UHFFFAOYSA-N -1 3 345.402 3.107 20 30 EGEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1ccc2cc[nH]c2c1F ZINC001154938811 1380379043 /nfs/dbraw/zinc/37/90/43/1380379043.db2.gz IKNWAQHRFLJGPB-UHFFFAOYSA-N -1 3 343.339 3.279 20 30 EGEDHM Cc1cnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c(N)c1 ZINC001155913952 1380505204 /nfs/dbraw/zinc/50/52/04/1380505204.db2.gz DBQAQDNGWHUBMJ-UHFFFAOYSA-N -1 3 326.278 3.119 20 30 EGEDHM CCc1nccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001155913922 1380505215 /nfs/dbraw/zinc/50/52/15/1380505215.db2.gz CCHMMLQNDFOPKG-UHFFFAOYSA-N -1 3 326.278 3.186 20 30 EGEDHM N#CCc1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001163765295 1383120113 /nfs/dbraw/zinc/12/01/13/1383120113.db2.gz QAEXQMSDHRIUQF-UHFFFAOYSA-N -1 3 336.273 3.294 20 30 EGEDHM COC(=O)c1cccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC001319721453 1386268136 /nfs/dbraw/zinc/26/81/36/1386268136.db2.gz DZAUXVCEHDSBIF-BQYQJAHWSA-N -1 3 342.347 3.092 20 30 EGEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@@H](C#N)C3)n2C)c1[O-] ZINC001340143030 1390235827 /nfs/dbraw/zinc/23/58/27/1390235827.db2.gz PQTUNXAKDLABJE-AWEZNQCLSA-N -1 3 337.427 3.046 20 30 EGEDHM CCc1c(C([O-])=C(C#N)c2nccn2CC)cnn1CCC(C)C ZINC001345646091 1390871988 /nfs/dbraw/zinc/87/19/88/1390871988.db2.gz FHMRYEFSCDINRT-AWEZNQCLSA-N -1 3 327.432 3.198 20 30 EGEDHM Cc1sc([N-]C(=O)c2ncc(Br)cn2)c(C#N)c1C ZINC001348958679 1391289157 /nfs/dbraw/zinc/28/91/57/1391289157.db2.gz OBYNFTSCNDZZKG-UHFFFAOYSA-N -1 3 337.202 3.041 20 30 EGEDHM Cc1ccn(-c2cccc(C(=O)N([O-])Cc3ccc(F)cc3)c2)n1 ZINC001353963675 1392110203 /nfs/dbraw/zinc/11/02/03/1392110203.db2.gz SMAXQLYBXZJQIE-UHFFFAOYSA-N -1 3 325.343 3.351 20 30 EGEDHM C=CCN(CCc1ccccc1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000823903956 1424413226 /nfs/dbraw/zinc/41/32/26/1424413226.db2.gz OTMFUOBGVNYOCZ-UHFFFAOYSA-N -1 3 337.402 3.237 20 30 EGEDHM C=CCN(CCc1ccccc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000823903956 1424413230 /nfs/dbraw/zinc/41/32/30/1424413230.db2.gz OTMFUOBGVNYOCZ-UHFFFAOYSA-N -1 3 337.402 3.237 20 30 EGEDHM C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824539136 1426786230 /nfs/dbraw/zinc/78/62/30/1426786230.db2.gz LSRNBEXRBKRAJC-CYBMUJFWSA-N -1 3 330.395 3.078 20 30 EGEDHM C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824539136 1426786235 /nfs/dbraw/zinc/78/62/35/1426786235.db2.gz LSRNBEXRBKRAJC-CYBMUJFWSA-N -1 3 330.395 3.078 20 30 EGEDHM C=C[C@](C)(CC)C(=O)NC[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001756703831 1441044531 /nfs/dbraw/zinc/04/45/31/1441044531.db2.gz HTZZAIIJWSZKDJ-OXJNMPFZSA-N -1 3 346.471 3.255 20 30 EGEDHM C[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC000820451884 945454963 /nfs/dbraw/zinc/45/49/63/945454963.db2.gz XZNPMDOHCUYZKY-VIFPVBQESA-N -1 3 326.310 3.190 20 30 EGEDHM C[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC000820451884 945454966 /nfs/dbraw/zinc/45/49/66/945454966.db2.gz XZNPMDOHCUYZKY-VIFPVBQESA-N -1 3 326.310 3.190 20 30 EGEDHM COc1ccc(C=CC(=O)c2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000826190911 947585419 /nfs/dbraw/zinc/58/54/19/947585419.db2.gz QNSVCKXZECDWLI-ALCCZGGFSA-N -1 3 342.305 3.050 20 30 EGEDHM COc1ccc(C=CC(=O)c2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000826190911 947585425 /nfs/dbraw/zinc/58/54/25/947585425.db2.gz QNSVCKXZECDWLI-ALCCZGGFSA-N -1 3 342.305 3.050 20 30 EGEDHM Cc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)cc2cccnc12 ZINC000826266379 947768114 /nfs/dbraw/zinc/76/81/14/947768114.db2.gz MUEDKCLRYQGPQW-UHFFFAOYSA-N -1 3 329.367 3.169 20 30 EGEDHM Cc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)cc2cccnc12 ZINC000826266379 947768123 /nfs/dbraw/zinc/76/81/23/947768123.db2.gz MUEDKCLRYQGPQW-UHFFFAOYSA-N -1 3 329.367 3.169 20 30 EGEDHM C[C@@H](SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC001589169165 956454112 /nfs/dbraw/zinc/45/41/12/956454112.db2.gz 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EGEDHM O=C1[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000743538825 576811511 /nfs/dbraw/zinc/81/15/11/576811511.db2.gz OLJRTUMGTKFPNK-VBNMEBLOSA-N -1 3 328.799 3.266 20 30 EGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1c(F)cccc1F ZINC000823498391 599114002 /nfs/dbraw/zinc/11/40/02/599114002.db2.gz NMQLLODBYARSLR-LUAWRHEFSA-N -1 3 338.317 3.357 20 30 EGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1c(F)cccc1F ZINC000823498391 599114004 /nfs/dbraw/zinc/11/40/04/599114004.db2.gz NMQLLODBYARSLR-LUAWRHEFSA-N -1 3 338.317 3.357 20 30 EGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(F)c(F)c1 ZINC000823505175 599114882 /nfs/dbraw/zinc/11/48/82/599114882.db2.gz YNQQHRGXKLMDJK-GHXNOFRVSA-N -1 3 338.317 3.357 20 30 EGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(F)c(F)c1 ZINC000823505175 599114883 /nfs/dbraw/zinc/11/48/83/599114883.db2.gz YNQQHRGXKLMDJK-GHXNOFRVSA-N -1 3 338.317 3.357 20 30 EGEDHM COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737945951 600594589 /nfs/dbraw/zinc/59/45/89/600594589.db2.gz FKOMJUDVYNLRSZ-KZULUSFZSA-N -1 3 340.379 3.052 20 30 EGEDHM N#Cc1cccc([C@H](NCc2cccc(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000833076818 601298266 /nfs/dbraw/zinc/29/82/66/601298266.db2.gz ZOBLNEPHZVJCLG-HNNXBMFYSA-N -1 3 334.297 3.493 20 30 EGEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823903735 607672974 /nfs/dbraw/zinc/67/29/74/607672974.db2.gz IWRVWLWJAIISJD-UHFFFAOYSA-N -1 3 347.422 3.046 20 30 EGEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823903735 607672976 /nfs/dbraw/zinc/67/29/76/607672976.db2.gz IWRVWLWJAIISJD-UHFFFAOYSA-N -1 3 347.422 3.046 20 30 EGEDHM C[C@H](OC(=O)C=Cc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486738 606353896 /nfs/dbraw/zinc/35/38/96/606353896.db2.gz CPSKRNIPTDPQBT-NHAQELONSA-N -1 3 345.362 3.056 20 30 EGEDHM C[C@H](OC(=O)C=Cc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820486738 606353898 /nfs/dbraw/zinc/35/38/98/606353898.db2.gz CPSKRNIPTDPQBT-NHAQELONSA-N -1 3 345.362 3.056 20 30 EGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccccc1OC(F)F ZINC000822928952 606388127 /nfs/dbraw/zinc/38/81/27/606388127.db2.gz OINAQOWITDLUJB-ALCCZGGFSA-N -1 3 348.334 3.426 20 30 EGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cccc1[N+](=O)[O-] ZINC000822016220 606763132 /nfs/dbraw/zinc/76/31/32/606763132.db2.gz WJTBOFIJHYQTRA-ALCCZGGFSA-N -1 3 341.352 3.041 20 30 EGEDHM Cc1ccc2c(c1)OCCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000822279991 606836349 /nfs/dbraw/zinc/83/63/49/606836349.db2.gz GXKXVFDYMMRRCC-XFFZJAGNSA-N -1 3 338.392 3.285 20 30 EGEDHM Cc1ccc2c(c1)OCCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000822279991 606836350 /nfs/dbraw/zinc/83/63/50/606836350.db2.gz GXKXVFDYMMRRCC-XFFZJAGNSA-N -1 3 338.392 3.285 20 30 EGEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821588161 606977353 /nfs/dbraw/zinc/97/73/53/606977353.db2.gz FEWFIVPIXSZENE-XQRVVYSFSA-N -1 3 343.387 3.029 20 30 EGEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821588161 606977354 /nfs/dbraw/zinc/97/73/54/606977354.db2.gz FEWFIVPIXSZENE-XQRVVYSFSA-N -1 3 343.387 3.029 20 30 EGEDHM CC1(C)CCC(=CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC1 ZINC000824795958 607785533 /nfs/dbraw/zinc/78/55/33/607785533.db2.gz JWTUADPEARANDY-UHFFFAOYSA-N -1 3 336.399 3.203 20 30 EGEDHM CC1(C)CCC(=CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1 ZINC000824795958 607785534 /nfs/dbraw/zinc/78/55/34/607785534.db2.gz JWTUADPEARANDY-UHFFFAOYSA-N -1 3 336.399 3.203 20 30 EGEDHM c1sc(N=NCc2ccccc2-c2nnn[n-]2)nc1-c1ccccc1 ZINC000823867598 607884469 /nfs/dbraw/zinc/88/44/69/607884469.db2.gz CWKXIJYPZBBRCA-UHFFFAOYSA-N -1 3 347.407 3.436 20 30 EGEDHM c1sc(N=NCc2ccccc2-c2nn[n-]n2)nc1-c1ccccc1 ZINC000823867598 607884470 /nfs/dbraw/zinc/88/44/70/607884470.db2.gz CWKXIJYPZBBRCA-UHFFFAOYSA-N -1 3 347.407 3.436 20 30 EGEDHM C=CCCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823888534 608328709 /nfs/dbraw/zinc/32/87/09/608328709.db2.gz POMMVEJWFUDBBV-UHFFFAOYSA-N -1 3 333.395 3.116 20 30 EGEDHM C=CCCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823888534 608328710 /nfs/dbraw/zinc/32/87/10/608328710.db2.gz POMMVEJWFUDBBV-UHFFFAOYSA-N -1 3 333.395 3.116 20 30 EGEDHM CC(=NNc1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962226 609277161 /nfs/dbraw/zinc/27/71/61/609277161.db2.gz HTZRUZYJJPIZHG-UHFFFAOYSA-N -1 3 332.289 3.120 20 30 EGEDHM CC(=NNc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962226 609277163 /nfs/dbraw/zinc/27/71/63/609277163.db2.gz HTZRUZYJJPIZHG-UHFFFAOYSA-N -1 3 332.289 3.120 20 30 EGEDHM O=C1c2ccc(F)cc2OCCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475550 609372653 /nfs/dbraw/zinc/37/26/53/609372653.db2.gz JROFJBYCQBVTBL-WEVVVXLNSA-N -1 3 342.355 3.116 20 30 EGEDHM O=C1c2ccc(F)cc2OCCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475550 609372655 /nfs/dbraw/zinc/37/26/55/609372655.db2.gz JROFJBYCQBVTBL-WEVVVXLNSA-N -1 3 342.355 3.116 20 30 EGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C#N)c1 ZINC000823958836 609473226 /nfs/dbraw/zinc/47/32/26/609473226.db2.gz YRBSLWOJPFXPKO-UHFFFAOYSA-N -1 3 337.774 3.228 20 30 EGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C#N)c1 ZINC000823958836 609473229 /nfs/dbraw/zinc/47/32/29/609473229.db2.gz YRBSLWOJPFXPKO-UHFFFAOYSA-N -1 3 337.774 3.228 20 30 EGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C)s1 ZINC000128900241 1293607525 /nfs/dbraw/zinc/60/75/25/1293607525.db2.gz XXJMKPIMKTZDTQ-GFCCVEGCSA-N -1 3 328.393 3.416 20 30 EGEDHM CC(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n[nH]1 ZINC000130232995 1293649634 /nfs/dbraw/zinc/64/96/34/1293649634.db2.gz QIBWQPCYOXGWBV-JTQLQIEISA-N -1 3 348.765 3.287 20 30 EGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000131006143 1293675840 /nfs/dbraw/zinc/67/58/40/1293675840.db2.gz LBXNZFQZNIEWRM-AWEZNQCLSA-N -1 3 343.726 3.209 20 30 EGEDHM COc1cc(C(=O)/C=C\c2cc(OC)c(O)c(OC)c2)ccc1[O-] ZINC000213712593 1296112188 /nfs/dbraw/zinc/11/21/88/1296112188.db2.gz HUKRYEGDIXRDEH-XQRVVYSFSA-N -1 3 330.336 3.020 20 30 EGEDHM N#CC(=C([O-])C=CSCc1ccco1)c1nnc2n1CCCCC2 ZINC000255139140 1296502886 /nfs/dbraw/zinc/50/28/86/1296502886.db2.gz PIOBBMMCOVPJLS-YHAOYDPOSA-N -1 3 342.424 3.221 20 30 EGEDHM COc1cc(C(=O)/C=C\c2cnc3ccc(C)cn23)c(OC)cc1[O-] ZINC000255577127 1296549627 /nfs/dbraw/zinc/54/96/27/1296549627.db2.gz VVPGQKDORJPABJ-WAYWQWQTSA-N -1 3 338.363 3.262 20 30 EGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc2ccccc2n1 ZINC000749815663 1299278855 /nfs/dbraw/zinc/27/88/55/1299278855.db2.gz ONZZJNANHQDPQA-UHFFFAOYSA-N -1 3 339.420 3.078 20 30 EGEDHM CCOC(=O)Nc1ccc(N=Cc2cccc([O-])c2O)cc1C#N ZINC000751518568 1299559598 /nfs/dbraw/zinc/55/95/98/1299559598.db2.gz ZHWJZPYJRNQNCZ-UHFFFAOYSA-N -1 3 325.324 3.288 20 30 EGEDHM O=C(Nc1ccccc1SC1CCCC1)N[C@H]1CCCN([O-])C1=O ZINC000878203539 1299823493 /nfs/dbraw/zinc/82/34/93/1299823493.db2.gz SJDUKUDVQZFDLT-AWEZNQCLSA-N -1 3 349.456 3.223 20 30 EGEDHM N#Cc1ccc(Br)c(COC(=O)c2ccc([O-])cc2)c1 ZINC000755509323 1300350199 /nfs/dbraw/zinc/35/01/99/1300350199.db2.gz YMQHYZMVEMFRFL-UHFFFAOYSA-N -1 3 332.153 3.383 20 30 EGEDHM COCCn1cc2c(n1)[C@@H](/N=C/c1cc(Cl)ccc1[O-])CCC2 ZINC000758813597 1300958768 /nfs/dbraw/zinc/95/87/68/1300958768.db2.gz AHFDVHLASAMSOZ-RPJLVFAOSA-N -1 3 333.819 3.385 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1Cc1ccccc1 ZINC000760333645 1301254888 /nfs/dbraw/zinc/25/48/88/1301254888.db2.gz LZFPHVATQZGCQK-GOSISDBHSA-N -1 3 330.391 3.433 20 30 EGEDHM COc1ccc(C=NNc2cccc(C#N)c2)c(Br)c1[O-] ZINC000761016033 1301383184 /nfs/dbraw/zinc/38/31/84/1301383184.db2.gz UCOODHLWKPMVEI-UHFFFAOYSA-N -1 3 346.184 3.481 20 30 EGEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CC[C@H]1c1ccccc1 ZINC000769791513 1303175166 /nfs/dbraw/zinc/17/51/66/1303175166.db2.gz QADIHBGTCUAWJY-KRWDZBQOSA-N -1 3 328.437 3.082 20 30 EGEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000773230807 1303647374 /nfs/dbraw/zinc/64/73/74/1303647374.db2.gz DCFMZLWGWZWEGW-UHFFFAOYSA-N -1 3 345.420 3.287 20 30 EGEDHM CC(=O)c1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1[O-] ZINC000887700657 1303898429 /nfs/dbraw/zinc/89/84/29/1303898429.db2.gz VURPVWPRBTYSKX-UHFFFAOYSA-N -1 3 348.402 3.486 20 30 EGEDHM N#CCc1ccccc1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000777428134 1304293910 /nfs/dbraw/zinc/29/39/10/1304293910.db2.gz DIBRDKYNNKCZMZ-UHFFFAOYSA-N -1 3 345.196 3.402 20 30 EGEDHM COc1ccc2[nH]c(=NN=C3C(=O)Nc4cc([O-])ccc43)c(C)cc2c1 ZINC000777913735 1304365608 /nfs/dbraw/zinc/36/56/08/1304365608.db2.gz QHVLJASHNRKXER-UHFFFAOYSA-N -1 3 348.362 3.026 20 30 EGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cccc(Cl)n1 ZINC000780306176 1304675003 /nfs/dbraw/zinc/67/50/03/1304675003.db2.gz RJFWUABLDUITPA-VIFPVBQESA-N -1 3 334.162 3.350 20 30 EGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(C2CC2)c1 ZINC000783352871 1305082843 /nfs/dbraw/zinc/08/28/43/1305082843.db2.gz LJVMNJPDEJCFQT-HNNXBMFYSA-N -1 3 349.390 3.319 20 30 EGEDHM Cc1nc2sccn2c1C=N[N-]c1nnc(-c2ccccn2)s1 ZINC000788027543 1305847697 /nfs/dbraw/zinc/84/76/97/1305847697.db2.gz MUBUHWGYXRXIBJ-UHFFFAOYSA-N -1 3 341.425 3.064 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCCOC(C)(C)C ZINC000789013531 1306065000 /nfs/dbraw/zinc/06/50/00/1306065000.db2.gz XANXLPDDTSITHL-UHFFFAOYSA-N -1 3 348.443 3.347 20 30 EGEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000795955574 1309870935 /nfs/dbraw/zinc/87/09/35/1309870935.db2.gz QRUCETRNWRAQEJ-SECBINFHSA-N -1 3 325.739 3.049 20 30 EGEDHM Cc1ncc(CO)c(C=NN[C@@H](C)c2ccc(C(C)C)cc2)c1[O-] ZINC000917552289 1319833869 /nfs/dbraw/zinc/83/38/69/1319833869.db2.gz PPMRLAAGAPRYBL-ZDUSSCGKSA-N -1 3 327.428 3.396 20 30 EGEDHM CC(C)(C)Oc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1C#N ZINC000836727725 1320526551 /nfs/dbraw/zinc/52/65/51/1320526551.db2.gz DDWJZBZGNSHDBS-HNNXBMFYSA-N -1 3 333.388 3.315 20 30 EGEDHM CC(C)(C)Oc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1C#N ZINC000836727725 1320526554 /nfs/dbraw/zinc/52/65/54/1320526554.db2.gz DDWJZBZGNSHDBS-HNNXBMFYSA-N -1 3 333.388 3.315 20 30 EGEDHM CC(=NNC(=S)NCCc1cccs1)c1cc(F)ccc1[O-] ZINC000839413073 1320915162 /nfs/dbraw/zinc/91/51/62/1320915162.db2.gz QSYIWZBCRYJSPK-UHFFFAOYSA-N -1 3 337.445 3.024 20 30 EGEDHM Cc1cc(C)nc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000802043271 1316975692 /nfs/dbraw/zinc/97/56/92/1316975692.db2.gz VNRWZCMWPYQRAA-LBPRGKRZSA-N -1 3 327.771 3.313 20 30 EGEDHM CC(=O)N[C@](C)(C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C(C)C ZINC000900680126 1317322744 /nfs/dbraw/zinc/32/27/44/1317322744.db2.gz YPSZOTJIDDUOHO-HNNXBMFYSA-N -1 3 347.242 3.262 20 30 EGEDHM C[C@H](NC(=O)c1ccccc1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901368124 1317410095 /nfs/dbraw/zinc/41/00/95/1317410095.db2.gz USYSIAQIUXYCIT-HNNXBMFYSA-N -1 3 348.402 3.376 20 30 EGEDHM CCC(=O)N1CCCC[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371205 1317410707 /nfs/dbraw/zinc/41/07/07/1317410707.db2.gz RRUWAKHNIYSPMG-SFHVURJKSA-N -1 3 340.423 3.349 20 30 EGEDHM O=C(c1cn(-c2ccccc2)nn1)N([O-])Cc1cccc2ccccc21 ZINC000901370397 1317411182 /nfs/dbraw/zinc/41/11/82/1317411182.db2.gz YRMCPLAMRXZQAD-UHFFFAOYSA-N -1 3 344.374 3.452 20 30 EGEDHM C=CCCn1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nn1 ZINC000901379445 1317414039 /nfs/dbraw/zinc/41/40/39/1317414039.db2.gz ZMFAAVOEAALSLB-UHFFFAOYSA-N -1 3 341.198 3.193 20 30 EGEDHM COCCOCc1ccc(/C=C\C(=O)c2cc(C)c([O-])c(O)c2)cc1 ZINC000901524414 1317440582 /nfs/dbraw/zinc/44/05/82/1317440582.db2.gz QTPZMFKZEYOSJG-FPLPWBNLSA-N -1 3 342.391 3.465 20 30 EGEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000903610199 1317711424 /nfs/dbraw/zinc/71/14/24/1317711424.db2.gz ZXHJSUANZLKNKQ-LBPRGKRZSA-N -1 3 335.454 3.027 20 30 EGEDHM C=CCCCS(=O)(=O)[N-]c1n[nH]c(-c2ccccc2OC)c1C ZINC000903674483 1317720610 /nfs/dbraw/zinc/72/06/10/1317720610.db2.gz FTVJJADCZABSEE-UHFFFAOYSA-N -1 3 335.429 3.102 20 30 EGEDHM CSCCCCc1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000903792139 1317734918 /nfs/dbraw/zinc/73/49/18/1317734918.db2.gz GZKJLGPTANSVMP-UHFFFAOYSA-N -1 3 346.456 3.130 20 30 EGEDHM CCN(CC)C(=O)CCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904188602 1317807018 /nfs/dbraw/zinc/80/70/18/1317807018.db2.gz GRMMADMRDOOKRE-UHFFFAOYSA-N -1 3 326.824 3.097 20 30 EGEDHM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904188350 1317807277 /nfs/dbraw/zinc/80/72/77/1317807277.db2.gz BTFKQAQMYGPUBB-LLVKDONJSA-N -1 3 335.835 3.287 20 30 EGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(Oc3ccccc3)nn2)c1 ZINC000811184413 1318118016 /nfs/dbraw/zinc/11/80/16/1318118016.db2.gz NYHQDRQMUPLGNR-UHFFFAOYSA-N -1 3 347.330 3.203 20 30 EGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1nc(-c2cccs2)no1 ZINC000811187430 1318120379 /nfs/dbraw/zinc/12/03/79/1318120379.db2.gz RHCVCWKRRLWOCX-VIFPVBQESA-N -1 3 341.348 3.293 20 30 EGEDHM C#C[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(Cl)cc1 ZINC000811516547 1318192482 /nfs/dbraw/zinc/19/24/82/1318192482.db2.gz PBVPSQPUMUTTRF-AWEZNQCLSA-N -1 3 346.770 3.427 20 30 EGEDHM Cc1ncc(CO)c(C=Nc2ccc(OCC(F)(F)F)cc2)c1[O-] ZINC000812412951 1318386016 /nfs/dbraw/zinc/38/60/16/1318386016.db2.gz JEVUGQQMIURTCJ-UHFFFAOYSA-N -1 3 340.301 3.280 20 30 EGEDHM Cc1ncc(CO)c(/C=N\CCc2csc3ccccc23)c1[O-] ZINC000915981076 1319577666 /nfs/dbraw/zinc/57/76/66/1319577666.db2.gz LJZSYEXKWJSTGW-OCKHKDLRSA-N -1 3 326.421 3.464 20 30 EGEDHM CCC(C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1)CC ZINC000916320629 1319639111 /nfs/dbraw/zinc/63/91/11/1319639111.db2.gz DKMFPFYEJJFAAQ-CQSZACIVSA-N -1 3 332.429 3.349 20 30 EGEDHM Cn1cccc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000916368827 1319645827 /nfs/dbraw/zinc/64/58/27/1319645827.db2.gz PVVPAHCWQQDWJA-UHFFFAOYSA-N -1 3 329.454 3.080 20 30 EGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1c(C)[nH]c2ccc(Br)cc21 ZINC000846547972 1321793050 /nfs/dbraw/zinc/79/30/50/1321793050.db2.gz CIJQXKRKPVCPQT-SECBINFHSA-N -1 3 337.217 3.404 20 30 EGEDHM COc1cc(C(=O)/C=C/c2ccc(O[C@@H]3CCOC3)cc2)ccc1[O-] ZINC000849242387 1322099618 /nfs/dbraw/zinc/09/96/18/1322099618.db2.gz FIJGLBFVDAFKFX-IOMDMTNGSA-N -1 3 340.375 3.465 20 30 EGEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(OC(C)(C)C)cc2)c1[O-] ZINC000920480496 1322182776 /nfs/dbraw/zinc/18/27/76/1322182776.db2.gz GHMVJEPTNVYFLS-RGVLZGJSSA-N -1 3 328.412 3.384 20 30 EGEDHM 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C=CCOc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735436830 575661369 /nfs/dbraw/zinc/66/13/69/575661369.db2.gz RMXKDVIXUZHGCQ-UHFFFAOYSA-N -1 3 342.790 3.092 20 30 EGEDHM C=CCOc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735436830 575661373 /nfs/dbraw/zinc/66/13/73/575661373.db2.gz RMXKDVIXUZHGCQ-UHFFFAOYSA-N -1 3 342.790 3.092 20 30 EGEDHM COc1cc(Br)cc(C=NO[C@@H]2CCCCO2)c1[O-] ZINC000755817978 575749609 /nfs/dbraw/zinc/74/96/09/575749609.db2.gz ORJDLTHPUWNWDX-GFCCVEGCSA-N -1 3 330.178 3.040 20 30 EGEDHM COc1ccc(C=CC(=O)c2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000737082080 576107309 /nfs/dbraw/zinc/10/73/09/576107309.db2.gz UCEFOEZZXNNUSA-VURMDHGXSA-N -1 3 340.770 3.425 20 30 EGEDHM COc1ccc(C=CC(=O)c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000737082080 576107313 /nfs/dbraw/zinc/10/73/13/576107313.db2.gz UCEFOEZZXNNUSA-VURMDHGXSA-N -1 3 340.770 3.425 20 30 EGEDHM N#Cc1ccc([C@H](NCCOc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000739105687 576378105 /nfs/dbraw/zinc/37/81/05/576378105.db2.gz IOVRMRPGNLHXTN-INIZCTEOSA-N -1 3 330.771 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O=C1c2cccc(Cl)c2CC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823503236 607460667 /nfs/dbraw/zinc/46/06/67/607460667.db2.gz CHWJREDHGFACFX-WDZFZDKYSA-N -1 3 340.745 3.482 20 30 EGEDHM O=C1c2cccc(Cl)c2CC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503236 607460668 /nfs/dbraw/zinc/46/06/68/607460668.db2.gz CHWJREDHGFACFX-WDZFZDKYSA-N -1 3 340.745 3.482 20 30 EGEDHM CC(C)c1csc(C(C#N)C(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000827140105 601194465 /nfs/dbraw/zinc/19/44/65/601194465.db2.gz YMZGAPBQOLZNPG-ZDUSSCGKSA-N -1 3 344.392 3.220 20 30 EGEDHM Fc1cc(OCC#Cc2ccccc2Cl)ccc1-c1nnn[n-]1 ZINC000826372517 607546776 /nfs/dbraw/zinc/54/67/76/607546776.db2.gz AGHBSVFHIYTZED-UHFFFAOYSA-N -1 3 328.734 3.090 20 30 EGEDHM Fc1cc(OCC#Cc2ccccc2Cl)ccc1-c1nn[n-]n1 ZINC000826372517 607546778 /nfs/dbraw/zinc/54/67/78/607546778.db2.gz AGHBSVFHIYTZED-UHFFFAOYSA-N -1 3 328.734 3.090 20 30 EGEDHM O=C1c2cc(F)cc(F)c2CC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826475959 607682074 /nfs/dbraw/zinc/68/20/74/607682074.db2.gz XKIQIYHGXNVIHH-XVNBXDOJSA-N -1 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QUQMKRSGMWOXEN-VMPITWQZSA-N -1 3 333.326 3.383 20 30 EGEDHM N#Cc1ccc2c(c1)CCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826386174 608880142 /nfs/dbraw/zinc/88/01/42/608880142.db2.gz SFUJTXTUFGNJTJ-VGOFMYFVSA-N -1 3 345.337 3.090 20 30 EGEDHM N#Cc1ccc2c(c1)CCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826386174 608880143 /nfs/dbraw/zinc/88/01/43/608880143.db2.gz SFUJTXTUFGNJTJ-VGOFMYFVSA-N -1 3 345.337 3.090 20 30 EGEDHM O=C(C=Cc1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400233 609270499 /nfs/dbraw/zinc/27/04/99/609270499.db2.gz SQLXSHSPIGHKEC-RJRFIUFISA-N -1 3 348.259 3.319 20 30 EGEDHM O=C(C=Cc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400233 609270500 /nfs/dbraw/zinc/27/05/00/609270500.db2.gz SQLXSHSPIGHKEC-RJRFIUFISA-N -1 3 348.259 3.319 20 30 EGEDHM Cc1[nH]c2ccc(F)cc2c1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826233611 609449069 /nfs/dbraw/zinc/44/90/69/609449069.db2.gz OKGUHSSAQXKNBA-UHFFFAOYSA-N -1 3 335.346 3.242 20 30 EGEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826188498 609472013 /nfs/dbraw/zinc/47/20/13/609472013.db2.gz YSTOTDLZMUKKGS-UHFFFAOYSA-N -1 3 342.790 3.365 20 30 EGEDHM CC(C)Oc1ccc(NCc2cc(C#N)cs2)cc1-c1nnn[n-]1 ZINC000824328806 609491597 /nfs/dbraw/zinc/49/15/97/609491597.db2.gz AXSROPLSLZRZHK-UHFFFAOYSA-N -1 3 340.412 3.199 20 30 EGEDHM CC(C)Oc1ccc(NCc2cc(C#N)cs2)cc1-c1nn[n-]n1 ZINC000824328806 609491600 /nfs/dbraw/zinc/49/16/00/609491600.db2.gz AXSROPLSLZRZHK-UHFFFAOYSA-N -1 3 340.412 3.199 20 30 EGEDHM CC[C@H](C/N=C/c1c([O-])c(C)ncc1CO)Oc1ccccc1F ZINC000749008582 1299126060 /nfs/dbraw/zinc/12/60/60/1299126060.db2.gz YEKMUHLJSSBXJZ-DGURAOSJSA-N -1 3 332.375 3.004 20 30 EGEDHM C=CCN(CC1CCCCC1)C(=O)c1nnc2ccccc2c1[O-] ZINC000112206395 1293121508 /nfs/dbraw/zinc/12/15/08/1293121508.db2.gz SXIJGXFJZXUUFR-UHFFFAOYSA-N -1 3 325.412 3.132 20 30 EGEDHM CC(=NN[C@H]1CCOC1(C)C)c1ccc(Br)cc1[O-] ZINC000835015717 1293188477 /nfs/dbraw/zinc/18/84/77/1293188477.db2.gz ASABKAIWMSYEQR-ZDUSSCGKSA-N -1 3 327.222 3.036 20 30 EGEDHM COc1cc(C(=O)/C=C/c2ccc(OC)c(F)c2)c(OC)cc1[O-] ZINC000122516600 1293415398 /nfs/dbraw/zinc/41/53/98/1293415398.db2.gz VIWQALYCYNFSOJ-GQCTYLIASA-N -1 3 332.327 3.453 20 30 EGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3ccccc3)n2)c1 ZINC000127801768 1293574722 /nfs/dbraw/zinc/57/47/22/1293574722.db2.gz ATTYHNBNWMJDLW-KRWDZBQOSA-N -1 3 344.374 3.142 20 30 EGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000131006345 1293675776 /nfs/dbraw/zinc/67/57/76/1293675776.db2.gz LBXNZFQZNIEWRM-CQSZACIVSA-N -1 3 343.726 3.209 20 30 EGEDHM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2)s1 ZINC000193446160 1295871130 /nfs/dbraw/zinc/87/11/30/1295871130.db2.gz LYLHZIBVULPKMW-ZDUSSCGKSA-N -1 3 327.409 3.365 20 30 EGEDHM N#CC(=C([O-])C=CSc1ccccc1)c1nnc2n1CCCCC2 ZINC000195287557 1296053524 /nfs/dbraw/zinc/05/35/24/1296053524.db2.gz MEDRCCPUHAPZJZ-PABFRNLHSA-N -1 3 338.436 3.487 20 30 EGEDHM O=C(C/N=C\c1cc(Br)ccc1[O-])OC1CCCCC1 ZINC000255506412 1296539659 /nfs/dbraw/zinc/53/96/59/1296539659.db2.gz 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Cc1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000387608246 324272369 /nfs/dbraw/zinc/27/23/69/324272369.db2.gz AERLEPMSZDXTGV-UHFFFAOYSA-N -1 3 334.828 3.041 20 30 EGEDHM CC#CCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000510020527 458774456 /nfs/dbraw/zinc/77/44/56/458774456.db2.gz SKPNMDMZJYVQIY-UHFFFAOYSA-N -1 3 325.739 3.051 20 30 EGEDHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000016122715 453596142 /nfs/dbraw/zinc/59/61/42/453596142.db2.gz LQBHASYMBZJGOE-UHFFFAOYSA-N -1 3 341.436 3.268 20 30 EGEDHM Cc1nc(-c2ccco2)ccc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000066629244 453857319 /nfs/dbraw/zinc/85/73/19/453857319.db2.gz WVFWRRFQXRYHDS-UHFFFAOYSA-N -1 3 346.350 3.466 20 30 EGEDHM N#CC(=C([O-])c1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cn1 ZINC000041555428 453971232 /nfs/dbraw/zinc/97/12/32/453971232.db2.gz FELQLWZBQFCCLJ-LLVKDONJSA-N -1 3 334.253 3.319 20 30 EGEDHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000068423376 454025889 /nfs/dbraw/zinc/02/58/89/454025889.db2.gz 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454169908 /nfs/dbraw/zinc/16/99/08/454169908.db2.gz QVUXDHSHBRDNKI-UHFFFAOYSA-N -1 3 326.385 3.010 20 30 EGEDHM CCCCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)C ZINC000046016233 454206529 /nfs/dbraw/zinc/20/65/29/454206529.db2.gz MEASMNODSRCCAA-UHFFFAOYSA-N -1 3 331.460 3.223 20 30 EGEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(=O)N(CC)CC)c(Cl)c1 ZINC000120051764 454253030 /nfs/dbraw/zinc/25/30/30/454253030.db2.gz BOIHFVNUQOAPQM-UHFFFAOYSA-N -1 3 344.864 3.140 20 30 EGEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000121810745 454479857 /nfs/dbraw/zinc/47/98/57/454479857.db2.gz GPAIIMCMSHAOOS-NSHDSACASA-N -1 3 338.326 3.061 20 30 EGEDHM C[C@@H]1CCc2c(C([O-])=C(C#N)C(=O)Nc3ccccn3)csc2C1 ZINC000102387398 454502922 /nfs/dbraw/zinc/50/29/22/454502922.db2.gz VCPROIRKSMYFKZ-DGCLKSJQSA-N -1 3 339.420 3.229 20 30 EGEDHM N#CC(=C([O-])c1cnn(-c2ccccc2)c1)c1nc2ccccc2[nH]1 ZINC000073972437 454509497 /nfs/dbraw/zinc/50/94/97/454509497.db2.gz XHEFODPXZUBCBW-OAHLLOKOSA-N -1 3 327.347 3.239 20 30 EGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1ccccc1Cl ZINC000103638099 454564769 /nfs/dbraw/zinc/56/47/69/454564769.db2.gz FZOUOUXCVMGPQQ-GFCCVEGCSA-N -1 3 337.770 3.114 20 30 EGEDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000134940272 454613788 /nfs/dbraw/zinc/61/37/88/454613788.db2.gz XJFLIZTXXCQYFG-VIFPVBQESA-N -1 3 341.845 3.016 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000176668195 454769949 /nfs/dbraw/zinc/76/99/49/454769949.db2.gz HSYAPXGPGBLCLA-SJKOYZFVSA-N -1 3 343.471 3.127 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccc1Cl ZINC000151755192 455026100 /nfs/dbraw/zinc/02/61/00/455026100.db2.gz VILDYVAUEJAMMV-ZDUSSCGKSA-N -1 3 328.803 3.456 20 30 EGEDHM N#CC(=C([O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccn1 ZINC000156473082 455122573 /nfs/dbraw/zinc/12/25/73/455122573.db2.gz ZAERPXJQQFGIIU-GFCCVEGCSA-N -1 3 335.241 3.499 20 30 EGEDHM N#Cc1cccc(-c2csc(NC(=O)c3ccc4n[n-]nc4c3)n2)c1 ZINC000160691172 455489295 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CN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C1(C#N)CCC1 ZINC000188762799 456130892 /nfs/dbraw/zinc/13/08/92/456130892.db2.gz DUWSVIPKNZNSBC-UHFFFAOYSA-N -1 3 334.375 3.141 20 30 EGEDHM CSCCON=C([O-])Nc1ccccc1SC[C@@H](C)C#N ZINC000281335819 456205048 /nfs/dbraw/zinc/20/50/48/456205048.db2.gz JXNKIZVIWMVQCP-NSHDSACASA-N -1 3 325.459 3.354 20 30 EGEDHM CSCCO[N-]C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000281335819 456205052 /nfs/dbraw/zinc/20/50/52/456205052.db2.gz JXNKIZVIWMVQCP-NSHDSACASA-N -1 3 325.459 3.354 20 30 EGEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000274720533 456264986 /nfs/dbraw/zinc/26/49/86/456264986.db2.gz FBLBNQAWCXEERW-QGZVFWFLSA-N -1 3 334.441 3.058 20 30 EGEDHM CC[C@]1(C/N=C\c2ccc(O)c([O-])c2O)OCCc2ccccc21 ZINC000290583216 456372452 /nfs/dbraw/zinc/37/24/52/456372452.db2.gz PTACTFODQRDYQW-GTBBCORBSA-N -1 3 327.380 3.101 20 30 EGEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nc(CC)cc(=O)[n-]1 ZINC000352912850 456408756 /nfs/dbraw/zinc/40/87/56/456408756.db2.gz 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EGEDHM N#CC(=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1)c1ccncn1 ZINC000354479619 457248524 /nfs/dbraw/zinc/24/85/24/457248524.db2.gz WHVNLELQMUMQTL-QGZVFWFLSA-N -1 3 342.358 3.219 20 30 EGEDHM N#Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1F ZINC000354519385 457267989 /nfs/dbraw/zinc/26/79/89/457267989.db2.gz AFCYPNGZGFWKBU-UHFFFAOYSA-N -1 3 335.132 3.418 20 30 EGEDHM N#CC(=C([O-])c1ccc2cncn2c1)c1ccc(C(F)(F)F)cn1 ZINC000342459965 457315202 /nfs/dbraw/zinc/31/52/02/457315202.db2.gz CEZFGQRFFLBWHH-CYBMUJFWSA-N -1 3 330.269 3.238 20 30 EGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3n[nH]c4c3CCCCC4)nc21 ZINC000355547060 457386097 /nfs/dbraw/zinc/38/60/97/457386097.db2.gz LNIARSNFLDDYNX-CYBMUJFWSA-N -1 3 333.395 3.353 20 30 EGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000393781677 457467460 /nfs/dbraw/zinc/46/74/60/457467460.db2.gz BCTHAFAJRIEGTC-JTQLQIEISA-N -1 3 336.226 3.221 20 30 EGEDHM N#CC1(CCN2CCN(C(=O)c3ccccc3[O-])CC2)CCCCC1 ZINC000411390266 457871972 /nfs/dbraw/zinc/87/19/72/457871972.db2.gz 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CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000421151137 458408132 /nfs/dbraw/zinc/40/81/32/458408132.db2.gz IJJCNXYPWRLBJE-CYBMUJFWSA-N -1 3 330.837 3.014 20 30 EGEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(NC(N)=O)c2)s1 ZINC000430612505 458471835 /nfs/dbraw/zinc/47/18/35/458471835.db2.gz SHPVZPYFUJDRLT-GFCCVEGCSA-N -1 3 342.424 3.421 20 30 EGEDHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451414262 458476806 /nfs/dbraw/zinc/47/68/06/458476806.db2.gz SKPAIGKIPKBTJN-MRVPVSSYSA-N -1 3 340.754 3.025 20 30 EGEDHM C=C(C)CC[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000451805265 458488275 /nfs/dbraw/zinc/48/82/75/458488275.db2.gz XMGZWZASKABZQS-UHFFFAOYSA-N -1 3 328.484 3.425 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(N3CCCCCC3)nc2)nc(C)n1 ZINC000546864134 458683243 /nfs/dbraw/zinc/68/32/43/458683243.db2.gz XBWFYPBQBWYODM-KRWDZBQOSA-N -1 3 349.438 3.359 20 30 EGEDHM CC[C@@H](C)n1ncc([N-]S(=O)(=O)CCC(C)(C)C#N)c1C1CC1 ZINC000577066192 458973341 /nfs/dbraw/zinc/97/33/41/458973341.db2.gz 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Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4c(c3)C[C@@H](C)O4)nc1-2 ZINC000578454333 459204326 /nfs/dbraw/zinc/20/43/26/459204326.db2.gz WTYDCNHVGYODJL-RISCZKNCSA-N -1 3 332.363 3.080 20 30 EGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000578755040 459238228 /nfs/dbraw/zinc/23/82/28/459238228.db2.gz XMGLYMKMZFCDLX-NSHDSACASA-N -1 3 345.848 3.150 20 30 EGEDHM CC(C)(C)OC(=O)Nc1ccc(C([O-])=C(C#N)c2ccccn2)nc1 ZINC000496885859 459357694 /nfs/dbraw/zinc/35/76/94/459357694.db2.gz RTLCAGPGWVAULR-ZDUSSCGKSA-N -1 3 338.367 3.314 20 30 EGEDHM CSc1cc2c(cc1[N-]C(=O)c1ccc(C#N)s1)OCCO2 ZINC000487729613 459531954 /nfs/dbraw/zinc/53/19/54/459531954.db2.gz JJLPHHXMYQZPTJ-UHFFFAOYSA-N -1 3 332.406 3.365 20 30 EGEDHM CC[C@@H](CC#N)NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000571697431 459572041 /nfs/dbraw/zinc/57/20/41/459572041.db2.gz HCIVAERMORCXLG-JTQLQIEISA-N -1 3 328.397 3.439 20 30 EGEDHM C=CCC(C)(C)c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000583708269 459583840 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CCC[C@H]([N-]S(=O)(=O)c1c(C)cc(F)cc1C#N)c1ccccn1 ZINC000601338015 460790407 /nfs/dbraw/zinc/79/04/07/460790407.db2.gz HABHVXHFCODLTM-INIZCTEOSA-N -1 3 347.415 3.221 20 30 EGEDHM C[C@H](c1ccccc1)n1ccc([N-]c2cc(C#N)ccc2[N+](=O)[O-])n1 ZINC000613428902 460944720 /nfs/dbraw/zinc/94/47/20/460944720.db2.gz CDXWJLNRWDNHBV-CYBMUJFWSA-N -1 3 333.351 3.438 20 30 EGEDHM CC(C)[C@]1(C)CC(=O)N(c2ccc(C#N)cc2C(F)(F)F)[N-]C1=O ZINC000601950634 460958120 /nfs/dbraw/zinc/95/81/20/460958120.db2.gz XGTBVWXUJBYZKK-HNNXBMFYSA-N -1 3 339.317 3.007 20 30 EGEDHM Cc1nc([C@H]2CCCOC2)sc1C(=O)[N-]c1n[nH]c(C2CCC2)n1 ZINC000329143352 547490878 /nfs/dbraw/zinc/49/08/78/547490878.db2.gz VORKOMDEAROTPM-NSHDSACASA-N -1 3 347.444 3.367 20 30 EGEDHM C=CCn1c(C)cc(C(=O)Cc2nc3ccc([O-])cc3c(=O)[nH]2)c1C ZINC000351861337 547679129 /nfs/dbraw/zinc/67/91/29/547679129.db2.gz KXAANJLFVXKKSB-UHFFFAOYSA-N -1 3 337.379 3.071 20 30 EGEDHM C#CCCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000378402645 547818828 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O=S(=O)(Cc1ccccc1)[N-]N=Cc1cc2cc(F)ccc2o1 ZINC000741761460 575363012 /nfs/dbraw/zinc/36/30/12/575363012.db2.gz DSXYWVRSKBXBKK-UHFFFAOYSA-N -1 3 332.356 3.025 20 30 EGEDHM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000735267526 575624209 /nfs/dbraw/zinc/62/42/09/575624209.db2.gz FJDCRSFUZQIAMR-UHFFFAOYSA-N -1 3 345.420 3.125 20 30 EGEDHM C=CCSc1nc2ccccc2n1CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC000736114713 575900767 /nfs/dbraw/zinc/90/07/67/575900767.db2.gz OHDUVGIVYMZNFD-ZDUSSCGKSA-N -1 3 345.468 3.457 20 30 EGEDHM C[C@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000736153713 575907719 /nfs/dbraw/zinc/90/77/19/575907719.db2.gz RZBXEACHMIBAAB-XPSMFNQNSA-N -1 3 345.362 3.056 20 30 EGEDHM C[C@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000736153713 575907720 /nfs/dbraw/zinc/90/77/20/575907720.db2.gz RZBXEACHMIBAAB-XPSMFNQNSA-N -1 3 345.362 3.056 20 30 EGEDHM N#Cc1ccc(CSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737719412 576261113 /nfs/dbraw/zinc/26/11/13/576261113.db2.gz UGKZAQVEKGHCHK-UHFFFAOYSA-N -1 3 325.372 3.311 20 30 EGEDHM N#Cc1ccc(CSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737719412 576261116 /nfs/dbraw/zinc/26/11/16/576261116.db2.gz UGKZAQVEKGHCHK-UHFFFAOYSA-N -1 3 325.372 3.311 20 30 EGEDHM COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC000737948718 576275749 /nfs/dbraw/zinc/27/57/49/576275749.db2.gz KWMQHNDYCVUTCI-GTNSWQLSSA-N -1 3 328.343 3.182 20 30 EGEDHM Cc1ccc(SCCN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738667608 576348670 /nfs/dbraw/zinc/34/86/70/576348670.db2.gz BBZIDZCVFOBCOI-KRWDZBQOSA-N -1 3 326.421 3.374 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1(C(F)(F)F)CC1 ZINC000739338945 576398842 /nfs/dbraw/zinc/39/88/42/576398842.db2.gz IMMRXXQIPDTGCS-UHFFFAOYSA-N -1 3 342.317 3.094 20 30 EGEDHM C=CCCOC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000740214072 576565946 /nfs/dbraw/zinc/56/59/46/576565946.db2.gz GOUNWGQVYJNXIC-SFHVURJKSA-N -1 3 339.391 3.373 20 30 EGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCc2cc(Cl)ccc21 ZINC000743436481 576809170 /nfs/dbraw/zinc/80/91/70/576809170.db2.gz WVNPEYCYAQHDJC-UHFFFAOYSA-N -1 3 334.828 3.110 20 30 EGEDHM CC(=CC([O-])=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2)C(C)(C)C ZINC000744032639 576819309 /nfs/dbraw/zinc/81/93/09/576819309.db2.gz UYGZZYFUPJFEGW-BRADTZPFSA-N -1 3 342.395 3.098 20 30 EGEDHM CC(CCc1ccc(F)cc1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820254676 607253674 /nfs/dbraw/zinc/25/36/74/607253674.db2.gz UNKPKOWOMJNFDP-UHFFFAOYSA-N -1 3 338.390 3.104 20 30 EGEDHM CC(CCc1ccc(F)cc1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820254676 607253675 /nfs/dbraw/zinc/25/36/75/607253675.db2.gz UNKPKOWOMJNFDP-UHFFFAOYSA-N -1 3 338.390 3.104 20 30 EGEDHM CC[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000828983202 601308032 /nfs/dbraw/zinc/30/80/32/601308032.db2.gz PIZONBUVBSUDTG-SJORKVTESA-N -1 3 339.351 3.333 20 30 EGEDHM COc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1C#N ZINC000826203673 607547361 /nfs/dbraw/zinc/54/73/61/607547361.db2.gz ARWFEPANZPMLIC-UHFFFAOYSA-N -1 3 340.774 3.012 20 30 EGEDHM COc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1C#N ZINC000826203673 607547362 /nfs/dbraw/zinc/54/73/62/607547362.db2.gz ARWFEPANZPMLIC-UHFFFAOYSA-N -1 3 340.774 3.012 20 30 EGEDHM N#Cc1cc(CN(CC(=O)[O-])Cc2ccc(Cl)cc2)ccc1F ZINC000833069039 602235739 /nfs/dbraw/zinc/23/57/39/602235739.db2.gz SCTAKWAQGLXLOF-UHFFFAOYSA-N -1 3 332.762 3.438 20 30 EGEDHM N#Cc1nc(Sc2ccc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000822845800 606469311 /nfs/dbraw/zinc/46/93/11/606469311.db2.gz HVVCAFORWYVCFG-UHFFFAOYSA-N -1 3 332.751 3.077 20 30 EGEDHM N#Cc1nc(Sc2ccc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000822845800 606469313 /nfs/dbraw/zinc/46/93/13/606469313.db2.gz HVVCAFORWYVCFG-UHFFFAOYSA-N -1 3 332.751 3.077 20 30 EGEDHM C#C[C@H](OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823838528 608454861 /nfs/dbraw/zinc/45/48/61/608454861.db2.gz QWCCXFKXHKUXAI-SFHVURJKSA-N -1 3 344.374 3.102 20 30 EGEDHM C#C[C@H](OC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823838528 608454863 /nfs/dbraw/zinc/45/48/63/608454863.db2.gz 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CCc1ncc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)s1 ZINC000755368958 1300328937 /nfs/dbraw/zinc/32/89/37/1300328937.db2.gz YJJINZXDOYAQMS-UHFFFAOYSA-N -1 3 336.760 3.391 20 30 EGEDHM S=c1[n-]nc(SCc2ccccc2)n1N=CC1CCOCC1 ZINC000755589796 1300361381 /nfs/dbraw/zinc/36/13/81/1300361381.db2.gz BLLHLJPCAFOWED-UHFFFAOYSA-N -1 3 334.470 3.120 20 30 EGEDHM N#Cc1cccc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC000756346285 1300473181 /nfs/dbraw/zinc/47/31/81/1300473181.db2.gz BNRMDYVWQHUOPX-HNNXBMFYSA-N -1 3 334.297 3.493 20 30 EGEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1C#N ZINC000756361784 1300475519 /nfs/dbraw/zinc/47/55/19/1300475519.db2.gz KWMPJNHZGOMDAO-QGZVFWFLSA-N -1 3 344.798 3.444 20 30 EGEDHM C#CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1 ZINC000756974155 1300602501 /nfs/dbraw/zinc/60/25/01/1300602501.db2.gz DYCSTYMAYZFFFH-OAHLLOKOSA-N -1 3 339.338 3.147 20 30 EGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(Cl)c2)c1 ZINC000757304148 1300662961 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O=C(CSC[C@H]1CCCCO1)N([O-])Cc1ccccc1Cl ZINC000904188943 1317807494 /nfs/dbraw/zinc/80/74/94/1317807494.db2.gz UDGBDALABIAYEF-CYBMUJFWSA-N -1 3 329.849 3.360 20 30 EGEDHM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904187554 1317807847 /nfs/dbraw/zinc/80/78/47/1317807847.db2.gz ONKFFHJNMUWFIR-CQSZACIVSA-N -1 3 338.835 3.095 20 30 EGEDHM O=C1C[C@H](/N=C/c2cc(Cl)ccc2[O-])CN1c1ccccc1F ZINC000812444483 1318394670 /nfs/dbraw/zinc/39/46/70/1318394670.db2.gz AMGYCCKMNBGNRZ-QOJWJBQSSA-N -1 3 332.762 3.409 20 30 EGEDHM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1nccs1 ZINC000814767642 1318812539 /nfs/dbraw/zinc/81/25/39/1318812539.db2.gz OKBPGJLOGPVCBH-UHFFFAOYSA-N -1 3 333.467 3.198 20 30 EGEDHM Cc1ccc(C)c2c1NC(=O)C2=N[N-]c1ncccc1C(F)(F)F ZINC000915050494 1319415081 /nfs/dbraw/zinc/41/50/81/1319415081.db2.gz SJPDAYGOXISQBK-UHFFFAOYSA-N -1 3 334.301 3.486 20 30 EGEDHM C=CCn1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])nn1 ZINC000818346439 1319534351 /nfs/dbraw/zinc/53/43/51/1319534351.db2.gz FFMVIDVJXHQZQH-JTQLQIEISA-N -1 3 326.322 3.039 20 30 EGEDHM COc1ccccc1NC(=S)NN=Cc1cc(Cl)ccc1[O-] ZINC000915927940 1319564408 /nfs/dbraw/zinc/56/44/08/1319564408.db2.gz IAGJFAXGMMQQAY-UHFFFAOYSA-N -1 3 335.816 3.375 20 30 EGEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1cccs1 ZINC000916320562 1319639399 /nfs/dbraw/zinc/63/93/99/1319639399.db2.gz BAFKLAMOHMFLLB-ZDUSSCGKSA-N -1 3 344.421 3.023 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC1(C2CCCC2)CC1 ZINC000848017307 1321923648 /nfs/dbraw/zinc/92/36/48/1321923648.db2.gz WLJREUNPAIHQLM-UHFFFAOYSA-N -1 3 328.412 3.474 20 30 EGEDHM C=C(C)C[C@@H](NCc1c(C)nn(-c2ccccc2)c1Cl)C(=O)[O-] ZINC000864530884 1329623129 /nfs/dbraw/zinc/62/31/29/1329623129.db2.gz OVQZSONGJUKGLI-OAHLLOKOSA-N -1 3 333.819 3.343 20 30 EGEDHM C[C@H]1C[C@H](NC(=O)c2ccccc2[O-])CCN1CC#Cc1ccccc1 ZINC000947071378 1333001917 /nfs/dbraw/zinc/00/19/17/1333001917.db2.gz UGKIAZZHNDMHDD-PKOBYXMFSA-N -1 3 348.446 3.027 20 30 EGEDHM C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])CC1 ZINC001065864898 1352900742 /nfs/dbraw/zinc/90/07/42/1352900742.db2.gz MIGPFSZCJGXXGU-JKSUJKDBSA-N -1 3 344.455 3.105 20 30 EGEDHM CN(C(=O)c1ccccc1[O-])C1CC(Nc2cccc(F)c2C#N)C1 ZINC001069701142 1354223668 /nfs/dbraw/zinc/22/36/68/1354223668.db2.gz MGIJNLVWOLDJCI-UHFFFAOYSA-N -1 3 339.370 3.118 20 30 EGEDHM N#Cc1cc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)ccc1[O-] ZINC001183276953 1387289511 /nfs/dbraw/zinc/28/95/11/1387289511.db2.gz YRXIPOIHTHYYTP-GFCCVEGCSA-N -1 3 328.755 3.107 20 30 EGEDHM C=C(Cl)CN1CCC2(C[C@@H](C)N(C(=O)c3ccccc3[O-])C2)CC1 ZINC001086904615 1359234425 /nfs/dbraw/zinc/23/44/25/1359234425.db2.gz JJYOWJJPRJKCGP-OAHLLOKOSA-N -1 3 348.874 3.461 20 30 EGEDHM CCCCCCCC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001323734384 1387436741 /nfs/dbraw/zinc/43/67/41/1387436741.db2.gz DIKKEXUPUOCPKF-UHFFFAOYSA-N -1 3 344.452 3.174 20 30 EGEDHM CCOC(=O)c1nc(C2CC2)oc1[N-]C(=O)Nc1ccc(C#N)cc1 ZINC001184717301 1387518615 /nfs/dbraw/zinc/51/86/15/1387518615.db2.gz YPWPKHGYXHZKMV-UHFFFAOYSA-N -1 3 340.339 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ZINC000292869928 455764930 /nfs/dbraw/zinc/76/49/30/455764930.db2.gz XQTXYEGERVAZHU-UHFFFAOYSA-N -1 3 330.428 3.172 20 30 EGEDHM Cc1ncc(CO)c(/C=N/CC(F)(F)c2ccc(Cl)cc2)c1[O-] ZINC000285267188 455814428 /nfs/dbraw/zinc/81/44/28/455814428.db2.gz HQYAUFSGSGZGNT-IFRROFPPSA-N -1 3 340.757 3.452 20 30 EGEDHM N#C[C@@]1(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CC12CCCC2 ZINC000294957331 455833476 /nfs/dbraw/zinc/83/34/76/455833476.db2.gz MJWFTVHBYNEESD-QGZVFWFLSA-N -1 3 343.337 3.162 20 30 EGEDHM N#C[C@@]1(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CC12CCCC2 ZINC000294957331 455833479 /nfs/dbraw/zinc/83/34/79/455833479.db2.gz MJWFTVHBYNEESD-QGZVFWFLSA-N -1 3 343.337 3.162 20 30 EGEDHM N#C[C@@]1(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CC12CCCC2 ZINC000294957331 455833481 /nfs/dbraw/zinc/83/34/81/455833481.db2.gz MJWFTVHBYNEESD-QGZVFWFLSA-N -1 3 343.337 3.162 20 30 EGEDHM CCC(C)(C)[N-]C(=S)C(C(=O)c1ccccc1)[n+]1cccc([O-])c1 ZINC000186975414 455857927 /nfs/dbraw/zinc/85/79/27/455857927.db2.gz VWVYMMHYGSBSSY-UHFFFAOYSA-O -1 3 343.472 3.397 20 30 EGEDHM COCCCOc1ccc(/N=C/c2cccc([O-])c2O)cc1OC ZINC000285687787 455896569 /nfs/dbraw/zinc/89/65/69/455896569.db2.gz ZJRFLIOPMPZXBG-XDHOZWIPSA-N -1 3 331.368 3.272 20 30 EGEDHM N#Cc1ccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1[O-] ZINC000188344519 456047747 /nfs/dbraw/zinc/04/77/47/456047747.db2.gz GSTPRKPMFUODBB-KRWDZBQOSA-N -1 3 348.362 3.244 20 30 EGEDHM CCN(C[C@@H](C)C#N)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188390200 456054936 /nfs/dbraw/zinc/05/49/36/456054936.db2.gz ZAEUSWSPGVRHRJ-AWEZNQCLSA-N -1 3 336.391 3.245 20 30 EGEDHM CCc1ccc([C@H](C#N)[N-]C(=O)C(F)(F)c2ncccc2C)cc1 ZINC000290242911 456273010 /nfs/dbraw/zinc/27/30/10/456273010.db2.gz SCSMDEJDCDKRJA-HNNXBMFYSA-N -1 3 329.350 3.425 20 30 EGEDHM COc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccc1Cl ZINC000340244385 456338353 /nfs/dbraw/zinc/33/83/53/456338353.db2.gz MLCZNQQTYGODTH-NSHDSACASA-N -1 3 340.770 3.418 20 30 EGEDHM CC(C)Oc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)ccn1 ZINC000347846792 456402205 /nfs/dbraw/zinc/40/22/05/456402205.db2.gz NCMCFSHBNWRVMB-AWEZNQCLSA-N -1 3 334.379 3.246 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(Oc3cnccn3)c2)nc(C)n1 ZINC000347969816 456432364 /nfs/dbraw/zinc/43/23/64/456432364.db2.gz WGXDUTJCMWTJAH-INIZCTEOSA-N -1 3 345.362 3.166 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1CCCCCC1 ZINC000282179483 456435296 /nfs/dbraw/zinc/43/52/96/456435296.db2.gz LMQWPEMCRXSTKN-UHFFFAOYSA-N -1 3 329.444 3.390 20 30 EGEDHM Cc1ncc(CO)c(/C=N/CCOc2ccc(C(C)C)cc2)c1[O-] ZINC000298631376 456505725 /nfs/dbraw/zinc/50/57/25/456505725.db2.gz GKTJFFLDLRWSCU-RGVLZGJSSA-N -1 3 328.412 3.209 20 30 EGEDHM Cc1ccn2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)nc2c1 ZINC000338183465 456690056 /nfs/dbraw/zinc/69/00/56/456690056.db2.gz ZQAPCSDYYVAGKJ-CYBMUJFWSA-N -1 3 329.363 3.020 20 30 EGEDHM C[C@@H]1C[C@H](C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CCC1=O ZINC000328941931 456796284 /nfs/dbraw/zinc/79/62/84/456796284.db2.gz TWURUQPOYHAIHV-YRUZYCQGSA-N -1 3 343.383 3.379 20 30 EGEDHM COCCn1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c2ccccc21 ZINC000353636206 456819701 /nfs/dbraw/zinc/81/97/01/456819701.db2.gz FNIPVKKZGPMRQU-MRXNPFEDSA-N -1 3 348.406 3.185 20 30 EGEDHM N#Cc1cc([N-]C(=O)c2ncoc2[C@H]2CCCO2)nc2ccccc12 ZINC000345006551 456894976 /nfs/dbraw/zinc/89/49/76/456894976.db2.gz FQJYIEAOOYFDCP-CQSZACIVSA-N -1 3 334.335 3.198 20 30 EGEDHM N#C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1F ZINC000345371252 456976932 /nfs/dbraw/zinc/97/69/32/456976932.db2.gz AQBLUAUATOHUAP-INIZCTEOSA-N -1 3 330.334 3.374 20 30 EGEDHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000341898083 456990885 /nfs/dbraw/zinc/99/08/85/456990885.db2.gz MVFXXDWRHFIZTF-QLJPJBMISA-N -1 3 348.811 3.012 20 30 EGEDHM Cc1nc([N-]C(=O)c2nnc(C(C)C)s2)sc1SCC#N ZINC000362690384 457045269 /nfs/dbraw/zinc/04/52/69/457045269.db2.gz GAFWXBZRGWTARH-UHFFFAOYSA-N -1 3 339.471 3.294 20 30 EGEDHM N#Cc1cc(Br)ccc1NCc1nnc(C(F)(F)F)[n-]1 ZINC000359707352 457121357 /nfs/dbraw/zinc/12/13/57/457121357.db2.gz RDQFYUIPFQBWPD-UHFFFAOYSA-N -1 3 346.110 3.070 20 30 EGEDHM N#Cc1cc(Br)ccc1NCc1n[n-]c(C(F)(F)F)n1 ZINC000359707352 457121365 /nfs/dbraw/zinc/12/13/65/457121365.db2.gz RDQFYUIPFQBWPD-UHFFFAOYSA-N -1 3 346.110 3.070 20 30 EGEDHM N#Cc1cc(Br)ccc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000359707352 457121368 /nfs/dbraw/zinc/12/13/68/457121368.db2.gz RDQFYUIPFQBWPD-UHFFFAOYSA-N -1 3 346.110 3.070 20 30 EGEDHM N#Cc1cccc(F)c1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000354493480 457256702 /nfs/dbraw/zinc/25/67/02/457256702.db2.gz DCZQQADUBOVTQM-UHFFFAOYSA-N -1 3 349.159 3.347 20 30 EGEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000351348254 457264533 /nfs/dbraw/zinc/26/45/33/457264533.db2.gz DJJJJKHGKNRRCM-JTQLQIEISA-N -1 3 340.754 3.185 20 30 EGEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1ccc([O-])cc1Cl ZINC000342374021 457264707 /nfs/dbraw/zinc/26/47/07/457264707.db2.gz NPPJCNSIPCEINP-UHFFFAOYSA-N -1 3 349.814 3.278 20 30 EGEDHM N#CC(=C([O-])c1ccc2cncn2c1)c1ccc(C(F)(F)F)cn1 ZINC000342459968 457314806 /nfs/dbraw/zinc/31/48/06/457314806.db2.gz CEZFGQRFFLBWHH-ZDUSSCGKSA-N -1 3 330.269 3.238 20 30 EGEDHM N#C[C@H]1N(C(=O)c2cc([O-])ccc2Cl)CCC[C@]12CCCCO2 ZINC000352016658 457331856 /nfs/dbraw/zinc/33/18/56/457331856.db2.gz YUXQWQHCNBRCLH-NVXWUHKLSA-N -1 3 334.803 3.113 20 30 EGEDHM C[C@H](C#N)C(=O)[N-][C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000360800014 457359987 /nfs/dbraw/zinc/35/99/87/457359987.db2.gz VDFZVXLMZNWAFP-GMSGAONNSA-N -1 3 340.223 3.464 20 30 EGEDHM N#Cc1ccncc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000342670450 457442859 /nfs/dbraw/zinc/44/28/59/457442859.db2.gz SENPTXPCDQANRW-UHFFFAOYSA-N -1 3 341.783 3.377 20 30 EGEDHM Cc1cc2c(o1)CC(C)(C)C[C@H]2[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000408112433 457560085 /nfs/dbraw/zinc/56/00/85/457560085.db2.gz KXDUNWZXKDZGRJ-CYBMUJFWSA-N -1 3 334.397 3.045 20 30 EGEDHM CCc1ccc([O-])c(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000408268266 457565046 /nfs/dbraw/zinc/56/50/46/457565046.db2.gz LNURNFNVVJPBGB-PKOBYXMFSA-N -1 3 328.412 3.022 20 30 EGEDHM Cc1cn2cc(C([O-])=C(C#N)c3nc4cccc(C)c4[nH]3)sc2n1 ZINC000356420027 457616687 /nfs/dbraw/zinc/61/66/87/457616687.db2.gz OAOGTZSKKGTGCJ-NSHDSACASA-N -1 3 335.392 3.379 20 30 EGEDHM COc1cc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)ccc1[O-] ZINC000357667045 457648055 /nfs/dbraw/zinc/64/80/55/457648055.db2.gz CQSVCELLZDPAST-UHFFFAOYSA-N -1 3 349.308 3.201 20 30 EGEDHM COC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCC3)c(F)c1 ZINC000361819262 457884208 /nfs/dbraw/zinc/88/42/08/457884208.db2.gz LXLKHYQPTGLEMQ-UHFFFAOYSA-N -1 3 344.367 3.286 20 30 EGEDHM C=CCCO[C@H](C)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000362260010 458058833 /nfs/dbraw/zinc/05/88/33/458058833.db2.gz GAQKUDSVHALIJA-LLVKDONJSA-N -1 3 326.356 3.138 20 30 EGEDHM C=CCCO[C@H](C)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000362260010 458058838 /nfs/dbraw/zinc/05/88/38/458058838.db2.gz GAQKUDSVHALIJA-LLVKDONJSA-N -1 3 326.356 3.138 20 30 EGEDHM C=CCCO[C@H](C)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362260010 458058843 /nfs/dbraw/zinc/05/88/43/458058843.db2.gz GAQKUDSVHALIJA-LLVKDONJSA-N -1 3 326.356 3.138 20 30 EGEDHM CCOc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000429096775 458271009 /nfs/dbraw/zinc/27/10/09/458271009.db2.gz DYCNLCBYORWRSC-NSHDSACASA-N -1 3 335.285 3.384 20 30 EGEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc1[O-] ZINC000420197796 458397565 /nfs/dbraw/zinc/39/75/65/458397565.db2.gz BYONWCPJOPMMAF-GOSISDBHSA-N -1 3 334.375 3.274 20 30 EGEDHM N#CCC1(CNC(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1 ZINC000436999369 458420543 /nfs/dbraw/zinc/42/05/43/458420543.db2.gz LCAQVNHAESWAGD-UHFFFAOYSA-N -1 3 336.391 3.395 20 30 EGEDHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000422638498 458428894 /nfs/dbraw/zinc/42/88/94/458428894.db2.gz UHQYMWSLVNVMBL-ZWNOBZJWSA-N -1 3 326.318 3.120 20 30 EGEDHM N#CC1(F)CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000451672786 458485390 /nfs/dbraw/zinc/48/53/90/458485390.db2.gz UCLUBVSYVOYYRC-UHFFFAOYSA-N -1 3 326.371 3.332 20 30 EGEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000451814443 458488194 /nfs/dbraw/zinc/48/81/94/458488194.db2.gz UMJDJCQMWHYBNP-UHFFFAOYSA-N -1 3 336.226 3.079 20 30 EGEDHM CCOC(=O)c1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000462124136 458595903 /nfs/dbraw/zinc/59/59/03/458595903.db2.gz YZPRJIYUZUMGPO-LBPRGKRZSA-N -1 3 338.363 3.183 20 30 EGEDHM C=CCn1c(=O)[n-]nc1SCCOc1cccc2ccccc21 ZINC000470842591 458655449 /nfs/dbraw/zinc/65/54/49/458655449.db2.gz UPDRCOHHRFNMED-UHFFFAOYSA-N -1 3 327.409 3.494 20 30 EGEDHM CC1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)Cc2ccccc2C1 ZINC000507964596 458757116 /nfs/dbraw/zinc/75/71/16/458757116.db2.gz KGWYYODJUKQUQG-UHFFFAOYSA-N -1 3 346.839 3.047 20 30 EGEDHM Cc1cc(C#N)cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000456967794 458827713 /nfs/dbraw/zinc/82/77/13/458827713.db2.gz OQDMIDXNQVYHNV-UHFFFAOYSA-N -1 3 334.379 3.027 20 30 EGEDHM N#CCCCn1cc(C(=O)N=c2cc3ccccn3[n-]2)c2ccccc21 ZINC000553331041 458894922 /nfs/dbraw/zinc/89/49/22/458894922.db2.gz REWICGUXPQQSLX-UHFFFAOYSA-N -1 3 343.390 3.267 20 30 EGEDHM CSCC1(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000594815762 459157869 /nfs/dbraw/zinc/15/78/69/459157869.db2.gz HULWVDDDPOFUBK-UHFFFAOYSA-N -1 3 344.889 3.023 20 30 EGEDHM CCOc1nc2cc(C(=O)N3CCC(CCC#N)CC3)ccc2[n-]1 ZINC000582491408 459373656 /nfs/dbraw/zinc/37/36/56/459373656.db2.gz JPFSWJCXLIIZGS-UHFFFAOYSA-N -1 3 326.400 3.118 20 30 EGEDHM CCOc1nc2ccc(C(=O)N3CCC(CCC#N)CC3)cc2[n-]1 ZINC000582491408 459373660 /nfs/dbraw/zinc/37/36/60/459373660.db2.gz JPFSWJCXLIIZGS-UHFFFAOYSA-N -1 3 326.400 3.118 20 30 EGEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc2nn[n-]c21 ZINC000540963268 459411746 /nfs/dbraw/zinc/41/17/46/459411746.db2.gz KCIYJIODEQYYLB-UHFFFAOYSA-N -1 3 339.358 3.005 20 30 EGEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc2[n-]nnc21 ZINC000540963268 459411754 /nfs/dbraw/zinc/41/17/54/459411754.db2.gz KCIYJIODEQYYLB-UHFFFAOYSA-N -1 3 339.358 3.005 20 30 EGEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc2n[n-]nc21 ZINC000540963268 459411759 /nfs/dbraw/zinc/41/17/59/459411759.db2.gz KCIYJIODEQYYLB-UHFFFAOYSA-N -1 3 339.358 3.005 20 30 EGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1Cl ZINC000596027965 459498635 /nfs/dbraw/zinc/49/86/35/459498635.db2.gz FKUQNKVPSPJCLK-MRVPVSSYSA-N -1 3 342.726 3.282 20 30 EGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489878644 459572188 /nfs/dbraw/zinc/57/21/88/459572188.db2.gz YENQXKUGSZERAI-SECBINFHSA-N -1 3 341.326 3.357 20 30 EGEDHM Cc1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)ccc1[O-] ZINC000499912129 459658386 /nfs/dbraw/zinc/65/83/86/459658386.db2.gz DVDVPSNGIPMEQG-CQSZACIVSA-N -1 3 345.196 3.458 20 30 EGEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1ccc(OC(F)F)c(OCC)c1 ZINC000493420766 459744421 /nfs/dbraw/zinc/74/44/21/459744421.db2.gz OJGHAJFKSUABLH-DVBBHNHCSA-N -1 3 327.327 3.322 20 30 EGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)C1 ZINC000593278079 459827632 /nfs/dbraw/zinc/82/76/32/459827632.db2.gz HAUZLZKBZQSYDQ-QMTHXVAHSA-N -1 3 330.812 3.230 20 30 EGEDHM N#CC(=C([O-])c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)c1ccncn1 ZINC000546153765 459900883 /nfs/dbraw/zinc/90/08/83/459900883.db2.gz WXMAFVIWGDNCPL-CQSZACIVSA-N -1 3 347.378 3.137 20 30 EGEDHM CCC(CC)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000609199374 459922766 /nfs/dbraw/zinc/92/27/66/459922766.db2.gz VWHJLDNVRSHBMO-UHFFFAOYSA-N -1 3 334.363 3.292 20 30 EGEDHM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000613928059 459969099 /nfs/dbraw/zinc/96/90/99/459969099.db2.gz NEWHHICWWKWMFT-DLBZAZTESA-N -1 3 346.839 3.220 20 30 EGEDHM N#CC(=C([O-])c1cnc2n1CCCCC2)c1nc(C2CC2)cs1 ZINC000621721549 460027325 /nfs/dbraw/zinc/02/73/25/460027325.db2.gz SLBKVVOKLCGBFK-LBPRGKRZSA-N -1 3 326.425 3.433 20 30 EGEDHM C=CCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])cc1 ZINC000609851309 460028312 /nfs/dbraw/zinc/02/83/12/460028312.db2.gz WMIWPENTZACOOB-UHFFFAOYSA-N -1 3 341.363 3.386 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2csc3ccccc23)c(F)c1 ZINC000610083002 460059694 /nfs/dbraw/zinc/05/96/94/460059694.db2.gz YQDVACGGFODPLZ-UHFFFAOYSA-N -1 3 346.408 3.391 20 30 EGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000610123990 460066562 /nfs/dbraw/zinc/06/65/62/460066562.db2.gz NEYRYIMEFQISLT-UHFFFAOYSA-N -1 3 342.420 3.456 20 30 EGEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000614326218 460096960 /nfs/dbraw/zinc/09/69/60/460096960.db2.gz NUAARGUNKKYTOY-LBPRGKRZSA-N -1 3 334.363 3.063 20 30 EGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000589588689 460107475 /nfs/dbraw/zinc/10/74/75/460107475.db2.gz DBAYDOPECXYVPF-UHFFFAOYSA-N -1 3 342.207 3.255 20 30 EGEDHM Cc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccccc2Br)c1 ZINC000611280819 460328067 /nfs/dbraw/zinc/32/80/67/460328067.db2.gz PYPIDNSVIJGWKN-AWEZNQCLSA-N -1 3 345.196 3.458 20 30 EGEDHM C=CCC[C@H](C(=O)Nc1cnc(C(=O)OCC)[n-]1)c1ccccc1 ZINC000619449666 460360291 /nfs/dbraw/zinc/36/02/91/460360291.db2.gz QOFWWDUCRFXANT-AWEZNQCLSA-N -1 3 327.384 3.275 20 30 EGEDHM C=CCC[C@H](C(=O)Nc1c[n-]c(C(=O)OCC)n1)c1ccccc1 ZINC000619449666 460360297 /nfs/dbraw/zinc/36/02/97/460360297.db2.gz QOFWWDUCRFXANT-AWEZNQCLSA-N -1 3 327.384 3.275 20 30 EGEDHM N#CCc1cccc(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)c1 ZINC000604522083 460439794 /nfs/dbraw/zinc/43/97/94/460439794.db2.gz VYJQQAKAMVBXHM-UHFFFAOYSA-N -1 3 336.782 3.470 20 30 EGEDHM C=C[C@H](CCC(=O)[O-])NCc1cn(-c2ccccc2Cl)nc1C ZINC000653504197 461679890 /nfs/dbraw/zinc/67/98/90/461679890.db2.gz KQCSCXKMPJATNX-CQSZACIVSA-N -1 3 333.819 3.343 20 30 EGEDHM C=C[C@H](CCC(=O)[O-])NCc1cnn(Cc2ccccc2Cl)c1 ZINC000669477896 461695494 /nfs/dbraw/zinc/69/54/94/461695494.db2.gz FIRLPXJUVNGOCM-OAHLLOKOSA-N -1 3 333.819 3.094 20 30 EGEDHM Cc1ccc(NN=Cc2c[n-]c(=NC(=O)OC(C)(C)C)s2)nn1 ZINC000496041573 468111600 /nfs/dbraw/zinc/11/16/00/468111600.db2.gz JXASJTAPAWSEAX-UHFFFAOYSA-N -1 3 334.405 3.035 20 30 EGEDHM CCn1nccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000681352734 549985714 /nfs/dbraw/zinc/98/57/14/549985714.db2.gz QPQXLCSANFWMJJ-JTQLQIEISA-N -1 3 329.310 3.138 20 30 EGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000729641592 574875437 /nfs/dbraw/zinc/87/54/37/574875437.db2.gz OSTKOOXRALLTOL-MNUSFFALSA-N -1 3 341.741 3.183 20 30 EGEDHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1N[C@@H](C)C#N ZINC000737281439 575013176 /nfs/dbraw/zinc/01/31/76/575013176.db2.gz YTOSVCOJMNDSGL-ZDUSSCGKSA-N -1 3 334.383 3.078 20 30 EGEDHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1N[C@@H](C)C#N ZINC000737281439 575013179 /nfs/dbraw/zinc/01/31/79/575013179.db2.gz YTOSVCOJMNDSGL-ZDUSSCGKSA-N -1 3 334.383 3.078 20 30 EGEDHM N#Cc1cccc(OC2CCN(C(=O)c3cc([O-])cs3)CC2)c1 ZINC000732286199 575255425 /nfs/dbraw/zinc/25/54/25/575255425.db2.gz BJVGXPPKVXKWQK-UHFFFAOYSA-N -1 3 328.393 3.009 20 30 EGEDHM CCOc1ccc(/C=N\C[C@](C)(O)c2ccc(F)cc2F)c([O-])c1 ZINC000733903107 575408130 /nfs/dbraw/zinc/40/81/30/575408130.db2.gz HNOQWUQRNYAMSY-OIQMFWTRSA-N -1 3 335.350 3.396 20 30 EGEDHM COc1ccc(C=CC(=O)c2ccc(F)cc2C)cc1-c1nnn[n-]1 ZINC000737080861 576106569 /nfs/dbraw/zinc/10/65/69/576106569.db2.gz IBIKGVLEHCHYNT-CLTKARDFSA-N -1 3 338.342 3.219 20 30 EGEDHM COc1ccc(C=CC(=O)c2ccc(F)cc2C)cc1-c1nn[n-]n1 ZINC000737080861 576106572 /nfs/dbraw/zinc/10/65/72/576106572.db2.gz IBIKGVLEHCHYNT-CLTKARDFSA-N -1 3 338.342 3.219 20 30 EGEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000739107299 576378394 /nfs/dbraw/zinc/37/83/94/576378394.db2.gz WFBHVQQWBVMFTM-LJQANCHMSA-N -1 3 348.402 3.279 20 30 EGEDHM N#Cc1cccc(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)c1 ZINC000739133095 576379379 /nfs/dbraw/zinc/37/93/79/576379379.db2.gz AIXFKFRGEJVSAH-HNNXBMFYSA-N -1 3 334.297 3.493 20 30 EGEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(C)c(C)c1 ZINC000743449196 576809417 /nfs/dbraw/zinc/80/94/17/576809417.db2.gz PYRMCAKVTKIVCN-UHFFFAOYSA-N -1 3 330.453 3.190 20 30 EGEDHM CC(=NN=C(C)c1cc(Br)ccc1[O-])c1cnccn1 ZINC000745208335 576843586 /nfs/dbraw/zinc/84/35/86/576843586.db2.gz GIXLVKKVXJOJLC-UHFFFAOYSA-N -1 3 333.189 3.178 20 30 EGEDHM C[C@H](CCc1ccccc1)CN=NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820220855 607254246 /nfs/dbraw/zinc/25/42/46/607254246.db2.gz YKARUEOUEDYIAQ-OAHLLOKOSA-N -1 3 334.427 3.211 20 30 EGEDHM C[C@H](CCc1ccccc1)CN=NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820220855 607254247 /nfs/dbraw/zinc/25/42/47/607254247.db2.gz YKARUEOUEDYIAQ-OAHLLOKOSA-N -1 3 334.427 3.211 20 30 EGEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCCCC(C)(C)C#N ZINC000821699327 607329401 /nfs/dbraw/zinc/32/94/01/607329401.db2.gz MAWHITDNMGCAII-UHFFFAOYSA-N -1 3 335.795 3.237 20 30 EGEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCCCC(C)(C)C#N ZINC000821699327 607329402 /nfs/dbraw/zinc/32/94/02/607329402.db2.gz MAWHITDNMGCAII-UHFFFAOYSA-N -1 3 335.795 3.237 20 30 EGEDHM N#Cc1ccc(CN2CCC(Nc3cccc(CC(=O)[O-])c3)CC2)cc1 ZINC000821329994 598198242 /nfs/dbraw/zinc/19/82/42/598198242.db2.gz SUUIKFFQONOAAI-UHFFFAOYSA-N -1 3 349.434 3.262 20 30 EGEDHM CCCCCC[C@H](C)NN=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821050361 599341879 /nfs/dbraw/zinc/34/18/79/599341879.db2.gz RCRMQCLELQHDMK-ZDUSSCGKSA-N -1 3 330.436 3.158 20 30 EGEDHM CCCCCC[C@H](C)NN=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821050361 599341881 /nfs/dbraw/zinc/34/18/81/599341881.db2.gz RCRMQCLELQHDMK-ZDUSSCGKSA-N -1 3 330.436 3.158 20 30 EGEDHM C=CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734329 607405144 /nfs/dbraw/zinc/40/51/44/607405144.db2.gz MBILVCCNKYEBNU-KRWDZBQOSA-N -1 3 333.395 3.304 20 30 EGEDHM C=CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734329 607405146 /nfs/dbraw/zinc/40/51/46/607405146.db2.gz MBILVCCNKYEBNU-KRWDZBQOSA-N -1 3 333.395 3.304 20 30 EGEDHM N#Cc1cccc([C@H](NCc2cccc(Br)c2)C(=O)[O-])c1 ZINC000833076453 601303492 /nfs/dbraw/zinc/30/34/92/601303492.db2.gz VJBAGEJQFKNAMG-HNNXBMFYSA-N -1 3 345.196 3.236 20 30 EGEDHM Cc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000832921625 601370803 /nfs/dbraw/zinc/37/08/03/601370803.db2.gz TXIFVHARKHWJJD-SJKOYZFVSA-N -1 3 339.351 3.251 20 30 EGEDHM FC(F)(F)c1ccccc1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822729247 606204550 /nfs/dbraw/zinc/20/45/50/606204550.db2.gz XQXNVBSNIUORAO-UHFFFAOYSA-N -1 3 338.318 3.393 20 30 EGEDHM FC(F)(F)c1ccccc1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822729247 606204552 /nfs/dbraw/zinc/20/45/52/606204552.db2.gz XQXNVBSNIUORAO-UHFFFAOYSA-N -1 3 338.318 3.393 20 30 EGEDHM CC(C)Oc1ccc(C#N)cc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000820155190 606449561 /nfs/dbraw/zinc/44/95/61/606449561.db2.gz KMLWKJTWYIOCNL-UHFFFAOYSA-N -1 3 334.383 3.138 20 30 EGEDHM CC(C)Oc1ccc(C#N)cc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000820155190 606449562 /nfs/dbraw/zinc/44/95/62/606449562.db2.gz KMLWKJTWYIOCNL-UHFFFAOYSA-N -1 3 334.383 3.138 20 30 EGEDHM Cc1ccc2c(c1)OCCC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000822279992 606836592 /nfs/dbraw/zinc/83/65/92/606836592.db2.gz GXKXVFDYMMRRCC-YRNVUSSQSA-N -1 3 338.392 3.285 20 30 EGEDHM Cc1ccc2c(c1)OCCC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000822279992 606836593 /nfs/dbraw/zinc/83/65/93/606836593.db2.gz GXKXVFDYMMRRCC-YRNVUSSQSA-N -1 3 338.392 3.285 20 30 EGEDHM N#Cc1cc(C(F)(F)F)ccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822819300 606939297 /nfs/dbraw/zinc/93/92/97/606939297.db2.gz OCYWMAVWUCOIBC-UHFFFAOYSA-N -1 3 344.300 3.369 20 30 EGEDHM N#Cc1cc(C(F)(F)F)ccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822819300 606939299 /nfs/dbraw/zinc/93/92/99/606939299.db2.gz OCYWMAVWUCOIBC-UHFFFAOYSA-N -1 3 344.300 3.369 20 30 EGEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821588592 606977442 /nfs/dbraw/zinc/97/74/42/606977442.db2.gz ZQBYMLWHIYPNKE-DAXSKMNVSA-N -1 3 343.387 3.029 20 30 EGEDHM CC(C)(C#N)CCCSCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819891759 606986339 /nfs/dbraw/zinc/98/63/39/606986339.db2.gz GHIQTTWGTZSSJR-UHFFFAOYSA-N -1 3 331.445 3.309 20 30 EGEDHM CC(C)(C#N)CCCSCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819891759 606986341 /nfs/dbraw/zinc/98/63/41/606986341.db2.gz GHIQTTWGTZSSJR-UHFFFAOYSA-N -1 3 331.445 3.309 20 30 EGEDHM CC(=NNCc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000819772370 606989845 /nfs/dbraw/zinc/98/98/45/606989845.db2.gz DGDURTLEUKLCGQ-UHFFFAOYSA-N -1 3 326.791 3.034 20 30 EGEDHM CC(=NNCc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000819772370 606989848 /nfs/dbraw/zinc/98/98/48/606989848.db2.gz DGDURTLEUKLCGQ-UHFFFAOYSA-N -1 3 326.791 3.034 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(Cl)c1 ZINC000007673780 1291085511 /nfs/dbraw/zinc/08/55/11/1291085511.db2.gz WJSAJAMMAXMKOY-UHFFFAOYSA-N -1 3 344.798 3.193 20 30 EGEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])c1nnc2ccccn21 ZINC000015149736 1291146926 /nfs/dbraw/zinc/14/69/26/1291146926.db2.gz BDFRDXGZHCEBOB-VJCPFXPRSA-N -1 3 345.200 3.378 20 30 EGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc(CC)n1 ZINC000835063467 1293196406 /nfs/dbraw/zinc/19/64/06/1293196406.db2.gz YYRYMQCHCQKYSK-AWEZNQCLSA-N -1 3 337.379 3.004 20 30 EGEDHM CC[C@H]1CCC[C@@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000115919328 1293197676 /nfs/dbraw/zinc/19/76/76/1293197676.db2.gz MGUGULLTXYWSIP-LSDHHAIUSA-N -1 3 330.428 3.308 20 30 EGEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000134855716 1293782577 /nfs/dbraw/zinc/78/25/77/1293782577.db2.gz REDAQVXQYIYFRS-UHFFFAOYSA-N -1 3 345.045 3.133 20 30 EGEDHM COCCOc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000255904294 1296577625 /nfs/dbraw/zinc/57/76/25/1296577625.db2.gz QRRSHDLQZPBRPF-UITAMQMPSA-N -1 3 328.364 3.322 20 30 EGEDHM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)CCC1CCCCC1 ZINC000872358193 1296924715 /nfs/dbraw/zinc/92/47/15/1296924715.db2.gz PXOJEMAMTVMQEX-UHFFFAOYSA-N -1 3 340.420 3.440 20 30 EGEDHM Cc1ncc(CO)c(C=Nc2ccc(N3CCCCC3)cc2)c1[O-] ZINC000747707385 1298839497 /nfs/dbraw/zinc/83/94/97/1298839497.db2.gz HJAZLIJBEUCCID-UHFFFAOYSA-N -1 3 325.412 3.329 20 30 EGEDHM COc1cccc(C#CCOC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000749038826 1299130828 /nfs/dbraw/zinc/13/08/28/1299130828.db2.gz YABFKSONRNPKEP-UHFFFAOYSA-N -1 3 336.347 3.195 20 30 EGEDHM COc1cccc(C#CCOC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000749038826 1299130834 /nfs/dbraw/zinc/13/08/34/1299130834.db2.gz YABFKSONRNPKEP-UHFFFAOYSA-N -1 3 336.347 3.195 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1c(F)cccc1F ZINC000751021590 1299498097 /nfs/dbraw/zinc/49/80/97/1299498097.db2.gz 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C=CCCCCCCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573334783 947464089 /nfs/dbraw/zinc/46/40/89/947464089.db2.gz IHSRSSWBZMSPER-UHFFFAOYSA-N -1 3 332.383 3.264 20 30 EGEDHM COc1cc(C)c(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826177665 947550115 /nfs/dbraw/zinc/55/01/15/947550115.db2.gz QBOSTIUCUQVTSN-UHFFFAOYSA-N -1 3 336.399 3.328 20 30 EGEDHM COc1cc(C)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826177506 947551709 /nfs/dbraw/zinc/55/17/09/947551709.db2.gz LEKGGLPBZSYLLS-FPLPWBNLSA-N -1 3 334.379 3.388 20 30 EGEDHM COc1cc(C)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826177506 947551719 /nfs/dbraw/zinc/55/17/19/947551719.db2.gz LEKGGLPBZSYLLS-FPLPWBNLSA-N -1 3 334.379 3.388 20 30 EGEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000826190874 947582333 /nfs/dbraw/zinc/58/23/33/947582333.db2.gz PUHRKKASQISICE-QHHAFSJGSA-N -1 3 342.305 3.050 20 30 EGEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1F ZINC000826190874 947582341 /nfs/dbraw/zinc/58/23/41/947582341.db2.gz PUHRKKASQISICE-QHHAFSJGSA-N -1 3 342.305 3.050 20 30 EGEDHM C[C@@H](NCc1cccc(F)c1C#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593305160 994760039 /nfs/dbraw/zinc/76/00/39/994760039.db2.gz XMDAZFGHDCDRHZ-CJNGLKHVSA-N -1 3 326.371 3.119 20 30 EGEDHM C[C@@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC001594423683 999583148 /nfs/dbraw/zinc/58/31/48/999583148.db2.gz CNVXDHGVJBWLHS-QMTHXVAHSA-N -1 3 326.318 3.262 20 30 EGEDHM Cc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1Cl ZINC000073346129 216378816 /nfs/dbraw/zinc/37/88/16/216378816.db2.gz IMNSAUJGKOCNIH-UHFFFAOYSA-N -1 3 343.814 3.397 20 30 EGEDHM N#Cc1ccccc1S(=O)(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000320146918 154163362 /nfs/dbraw/zinc/16/33/62/154163362.db2.gz CHJYSPAWAYNEHK-UHFFFAOYSA-N -1 3 340.326 3.056 20 30 EGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000337059205 163117854 /nfs/dbraw/zinc/11/78/54/163117854.db2.gz SKDVWGSNSQCDJC-UHFFFAOYSA-N -1 3 348.802 3.315 20 30 EGEDHM N#Cc1ccc2c(c1)N(C(=O)c1cc([O-])ccc1C(F)(F)F)CC2 ZINC000338820437 163356153 /nfs/dbraw/zinc/35/61/53/163356153.db2.gz CANSFTLWFOEHNT-UHFFFAOYSA-N -1 3 332.281 3.486 20 30 EGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCCc2ccc(F)cc21 ZINC000360196151 167267462 /nfs/dbraw/zinc/26/74/62/167267462.db2.gz YHHGRRQQXLFKCL-INIZCTEOSA-N -1 3 348.374 3.192 20 30 EGEDHM N#Cc1csc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)c1 ZINC000084108743 264935160 /nfs/dbraw/zinc/93/51/60/264935160.db2.gz KCLBRGXICYPQER-UHFFFAOYSA-N -1 3 344.396 3.453 20 30 EGEDHM COc1cncc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)n1 ZINC000297752024 270042878 /nfs/dbraw/zinc/04/28/78/270042878.db2.gz IMEDGMGFJLOQKK-ZJUUUORDSA-N -1 3 342.424 3.356 20 30 EGEDHM COc1cncc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)n1 ZINC000297752018 270042949 /nfs/dbraw/zinc/04/29/49/270042949.db2.gz IMEDGMGFJLOQKK-VHSXEESVSA-N -1 3 342.424 3.356 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@]1(C)CCCC[C@@H]1C ZINC000457260966 270054190 /nfs/dbraw/zinc/05/41/90/270054190.db2.gz NOSLCKXCUGUDJK-BUXKBTBVSA-N -1 3 329.444 3.293 20 30 EGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000533555020 270060661 /nfs/dbraw/zinc/06/06/61/270060661.db2.gz UXSVAJMUVZBFDJ-UHFFFAOYSA-N -1 3 346.795 3.436 20 30 EGEDHM CCN(CC)[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccsc1 ZINC000190511826 266119602 /nfs/dbraw/zinc/11/96/02/266119602.db2.gz LOROAHVFEJUYJQ-MRXNPFEDSA-N -1 3 343.452 3.138 20 30 EGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000433226929 267016395 /nfs/dbraw/zinc/01/63/95/267016395.db2.gz PGTUYBCTNZMALS-UHFFFAOYSA-N -1 3 337.358 3.021 20 30 EGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000433226929 267016396 /nfs/dbraw/zinc/01/63/96/267016396.db2.gz PGTUYBCTNZMALS-UHFFFAOYSA-N -1 3 337.358 3.021 20 30 EGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000433226929 267016398 /nfs/dbraw/zinc/01/63/98/267016398.db2.gz PGTUYBCTNZMALS-UHFFFAOYSA-N -1 3 337.358 3.021 20 30 EGEDHM CCc1cc(C#N)c([N-]C(=O)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000427599214 267244774 /nfs/dbraw/zinc/24/47/74/267244774.db2.gz NLDMNCUOOMJONG-UHFFFAOYSA-N -1 3 331.353 3.351 20 30 EGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000324335150 267312416 /nfs/dbraw/zinc/31/24/16/267312416.db2.gz XMADRUBOKVYDHR-UHFFFAOYSA-N -1 3 330.409 3.455 20 30 EGEDHM Cc1cc([C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C2CC2)ccc1F ZINC000287718007 267363542 /nfs/dbraw/zinc/36/35/42/267363542.db2.gz GQDAMDDUBXLBPN-MRXNPFEDSA-N -1 3 334.372 3.028 20 30 EGEDHM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435443428 268061864 /nfs/dbraw/zinc/06/18/64/268061864.db2.gz NWEARXYJLBNIKR-UHFFFAOYSA-N -1 3 334.466 3.184 20 30 EGEDHM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000350658230 268086967 /nfs/dbraw/zinc/08/69/67/268086967.db2.gz UWSNQXKOANORGP-ZDUSSCGKSA-N -1 3 325.755 3.238 20 30 EGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000443077476 268182241 /nfs/dbraw/zinc/18/22/41/268182241.db2.gz FFFMXRZWCAEFIS-UHFFFAOYSA-N -1 3 332.812 3.179 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)s1 ZINC000435439850 268259978 /nfs/dbraw/zinc/25/99/78/268259978.db2.gz XLKAIWVMRBKQHE-ZDUSSCGKSA-N -1 3 338.841 3.239 20 30 EGEDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000136030211 307708728 /nfs/dbraw/zinc/70/87/28/307708728.db2.gz QQQSGQTVHAXVJK-VIFPVBQESA-N -1 3 341.845 3.016 20 30 EGEDHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)o1 ZINC000535754267 314068275 /nfs/dbraw/zinc/06/82/75/314068275.db2.gz KZTPIGPQTOSNRJ-IAQYHMDHSA-N -1 3 348.399 3.033 20 30 EGEDHM CCCC(C)(C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553819767 315284366 /nfs/dbraw/zinc/28/43/66/315284366.db2.gz SVBQJGHYZLLBQP-UHFFFAOYSA-N -1 3 345.262 3.178 20 30 EGEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc2c(s1)CCCC2 ZINC000053523850 453884573 /nfs/dbraw/zinc/88/45/73/453884573.db2.gz XRPBJJNTRJBVBS-UHFFFAOYSA-N -1 3 325.397 3.443 20 30 EGEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc2c(s1)CCCC2 ZINC000053523850 453884575 /nfs/dbraw/zinc/88/45/75/453884575.db2.gz XRPBJJNTRJBVBS-UHFFFAOYSA-N -1 3 325.397 3.443 20 30 EGEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc2c(s1)CCCC2 ZINC000053523850 453884578 /nfs/dbraw/zinc/88/45/78/453884578.db2.gz XRPBJJNTRJBVBS-UHFFFAOYSA-N -1 3 325.397 3.443 20 30 EGEDHM C#CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000054702046 453943576 /nfs/dbraw/zinc/94/35/76/453943576.db2.gz VHURQCUCMJHORT-KRWDZBQOSA-N -1 3 342.782 3.254 20 30 EGEDHM N#CC(=C([O-])c1cnn(Cc2ccccc2Cl)c1)c1ccccn1 ZINC000041492259 453969153 /nfs/dbraw/zinc/96/91/53/453969153.db2.gz QFFPUBOHABCXKU-OAHLLOKOSA-N -1 3 336.782 3.470 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(NC(=O)C(C)C)cc2)nc(C)n1 ZINC000041560150 453972331 /nfs/dbraw/zinc/97/23/31/453972331.db2.gz SBMOQXWIGMDAIH-INIZCTEOSA-N -1 3 336.395 3.178 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(OC(F)(F)F)cc2)nc(C)n1 ZINC000041574092 453973247 /nfs/dbraw/zinc/97/32/47/453973247.db2.gz HZWRAXAPDFJFPD-ZDUSSCGKSA-N -1 3 335.285 3.482 20 30 EGEDHM N#Cc1csc(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000084388159 453987170 /nfs/dbraw/zinc/98/71/70/453987170.db2.gz CBZMCIURTKPNBS-UHFFFAOYSA-N -1 3 329.772 3.311 20 30 EGEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000042007626 453988539 /nfs/dbraw/zinc/98/85/39/453988539.db2.gz ZIFIVZMNXSSXID-UHFFFAOYSA-N -1 3 341.219 3.344 20 30 EGEDHM C=CCN(Cc1cccs1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000120181547 454269029 /nfs/dbraw/zinc/26/90/29/454269029.db2.gz DYFWJENFVPKOBG-UHFFFAOYSA-N -1 3 333.409 3.299 20 30 EGEDHM N#C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CCCCC1 ZINC000125580221 454833115 /nfs/dbraw/zinc/83/31/15/454833115.db2.gz NLAGCRWWGYQEMF-CYBMUJFWSA-N -1 3 330.812 3.230 20 30 EGEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(-n3cnnc3)cc2)n1 ZINC000177745925 454899190 /nfs/dbraw/zinc/89/91/90/454899190.db2.gz PRBNRBGJWGYMQG-CQSZACIVSA-N -1 3 337.408 3.337 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cccs1 ZINC000178496926 454957789 /nfs/dbraw/zinc/95/77/89/454957789.db2.gz KNGKEPVCNOAPOX-SECBINFHSA-N -1 3 326.830 3.313 20 30 EGEDHM N#Cc1ccc(Br)c(C[S@](=O)c2ccc([O-])cc2)c1 ZINC000191624447 455504963 /nfs/dbraw/zinc/50/49/63/455504963.db2.gz DERTUBGLUKNLEW-IBGZPJMESA-N -1 3 336.210 3.334 20 30 EGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000156376548 455111679 /nfs/dbraw/zinc/11/16/79/455111679.db2.gz UTMGABBUBPYXHY-UHFFFAOYSA-N -1 3 330.384 3.055 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c(Cl)c1 ZINC000183469220 455296794 /nfs/dbraw/zinc/29/67/94/455296794.db2.gz CUERUBAVRHILJB-CYBMUJFWSA-N -1 3 336.800 3.161 20 30 EGEDHM C=CCN(CCOC)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000191976052 455537797 /nfs/dbraw/zinc/53/77/97/455537797.db2.gz ILGMCTJEDXYAKF-UHFFFAOYSA-N -1 3 327.380 3.459 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2cccc(N3CCCC3)c2)c1[O-] ZINC000267933809 455565847 /nfs/dbraw/zinc/56/58/47/455565847.db2.gz PYIKOWIOOFHODU-LVCXCXRVSA-N -1 3 339.439 3.368 20 30 EGEDHM N#Cc1c([N-]C(=O)c2cn(Cc3ccccc3)nn2)sc2c1CCC2 ZINC000192520868 455635652 /nfs/dbraw/zinc/63/56/52/455635652.db2.gz KOCVGHDAKDJOGO-UHFFFAOYSA-N -1 3 349.419 3.001 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000271451826 455642081 /nfs/dbraw/zinc/64/20/81/455642081.db2.gz YYYZPRFXMQCCSG-CYBMUJFWSA-N -1 3 341.455 3.247 20 30 EGEDHM CCC(CC)CN(CCC#N)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278265748 455801686 /nfs/dbraw/zinc/80/16/86/455801686.db2.gz RCWUFJUUPXECEP-UHFFFAOYSA-N -1 3 335.404 3.461 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC(C)(C)C1CC1 ZINC000294145830 455806118 /nfs/dbraw/zinc/80/61/18/455806118.db2.gz LZYGSYYTZXIWIZ-UHFFFAOYSA-N -1 3 329.444 3.151 20 30 EGEDHM CCOc1ccc(N(CCC#N)C(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000255759123 455873525 /nfs/dbraw/zinc/87/35/25/455873525.db2.gz NUOJEBDHMVVNOZ-WTKPLQERSA-N -1 3 337.379 3.146 20 30 EGEDHM COc1cc(/C=C2/COc3c(F)cccc3C2=O)cc(OC)c1[O-] ZINC000194859332 455892251 /nfs/dbraw/zinc/89/22/51/455892251.db2.gz DQPKIUCICDEHKF-WDZFZDKYSA-N -1 3 330.311 3.207 20 30 EGEDHM C=CCC[C@@H](C(=O)Nc1cc(C(=O)OCC)[n-]n1)c1ccccc1 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O=C(C=Cc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399659 948215880 /nfs/dbraw/zinc/21/58/80/948215880.db2.gz BNRCVBAGFHSWIS-VOTSOKGWSA-N -1 3 330.269 3.180 20 30 EGEDHM CC[C@H](C#N)Oc1cccc(CN[C@@H](C(=O)[O-])c2ccsc2)c1 ZINC001594725347 987230364 /nfs/dbraw/zinc/23/03/64/987230364.db2.gz SWDMTYHVNOHOBY-GDBMZVCRSA-N -1 3 330.409 3.345 20 30 EGEDHM Cn1nc(C(C)(C)C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000097466026 219026443 /nfs/dbraw/zinc/02/64/43/219026443.db2.gz XXLVMBUQHYJQED-GFCCVEGCSA-N -1 3 335.411 3.094 20 30 EGEDHM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1scc(C)c1C#N ZINC000344887308 144237500 /nfs/dbraw/zinc/23/75/00/144237500.db2.gz DWLIDWGLNZDENS-UHFFFAOYSA-N -1 3 338.392 3.375 20 30 EGEDHM N#Cc1cccc([C@H]2CN(Cc3c(F)ccc([O-])c3F)CCO2)c1 ZINC000351794600 144307101 /nfs/dbraw/zinc/30/71/01/144307101.db2.gz DJPQIXDLZZGNAX-QGZVFWFLSA-N -1 3 330.334 3.116 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)Cc2ccccc21 ZINC000354973157 166076703 /nfs/dbraw/zinc/07/67/03/166076703.db2.gz 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BAFRDFAITLHRDM-UHFFFAOYSA-N -1 3 335.367 3.022 20 30 EGEDHM O=C(COc1ccc2c(c1)CCC2)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053523861 453884082 /nfs/dbraw/zinc/88/40/82/453884082.db2.gz BAFRDFAITLHRDM-UHFFFAOYSA-N -1 3 335.367 3.022 20 30 EGEDHM O=C(COc1ccc2c(c1)CCC2)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053523861 453884086 /nfs/dbraw/zinc/88/40/86/453884086.db2.gz BAFRDFAITLHRDM-UHFFFAOYSA-N -1 3 335.367 3.022 20 30 EGEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])s1 ZINC000067753437 453962880 /nfs/dbraw/zinc/96/28/80/453962880.db2.gz FGZVGVARIIREKJ-UHFFFAOYSA-N -1 3 331.353 3.351 20 30 EGEDHM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000055652249 454002774 /nfs/dbraw/zinc/00/27/74/454002774.db2.gz PJAXBSCDXCPITF-UHFFFAOYSA-N -1 3 330.409 3.455 20 30 EGEDHM COc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc(OC)c1C ZINC000190923238 455406672 /nfs/dbraw/zinc/40/66/72/455406672.db2.gz FLCIOKMWTOGEIE-CQSZACIVSA-N -1 3 347.374 3.446 20 30 EGEDHM CCn1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2ccccc21 ZINC000058267325 454176385 /nfs/dbraw/zinc/17/63/85/454176385.db2.gz VPDKJIJXEDHZCE-OAHLLOKOSA-N -1 3 347.422 3.469 20 30 EGEDHM N#CCCN(CCC#N)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094037413 454183364 /nfs/dbraw/zinc/18/33/64/454183364.db2.gz ZRKNGTDKFQNQKP-UHFFFAOYSA-N -1 3 349.390 3.241 20 30 EGEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000120133804 454262655 /nfs/dbraw/zinc/26/26/55/454262655.db2.gz AAYKFPHVWIZYKZ-UHFFFAOYSA-N -1 3 330.409 3.257 20 30 EGEDHM COc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c([O-])c1 ZINC000091990245 454501915 /nfs/dbraw/zinc/50/19/15/454501915.db2.gz PNRZMWOPANFWOU-ZWKOTPCHSA-N -1 3 336.391 3.313 20 30 EGEDHM C=CCN(CCc1ccccc1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122018892 454505107 /nfs/dbraw/zinc/50/51/07/454505107.db2.gz KWXZOYPGRMSTLY-UHFFFAOYSA-N -1 3 338.407 3.222 20 30 EGEDHM CCn1nc(C(C)C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122108847 454508849 /nfs/dbraw/zinc/50/88/49/454508849.db2.gz DZCWMRGYTDIERL-CYBMUJFWSA-N -1 3 335.411 3.403 20 30 EGEDHM Cc1c(C(=O)[N-]c2sccc2C#N)nnn1-c1ccccc1Cl ZINC000103358337 454551586 /nfs/dbraw/zinc/55/15/86/454551586.db2.gz XVHYJSKJHYREAW-UHFFFAOYSA-N -1 3 343.799 3.415 20 30 EGEDHM CC(C)c1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)n(C)n1 ZINC000080252854 454556779 /nfs/dbraw/zinc/55/67/79/454556779.db2.gz RJYVFRBEHNSVPT-LLVKDONJSA-N -1 3 336.317 3.447 20 30 EGEDHM COc1ccc(-n2nc(C([O-])=C(C#N)c3ccccn3)cc2C)cc1 ZINC000092694769 454612964 /nfs/dbraw/zinc/61/29/64/454612964.db2.gz HPMZYRRZLJRXKR-MRXNPFEDSA-N -1 3 332.363 3.074 20 30 EGEDHM Cc1ccc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c(F)c1 ZINC000124557000 454748180 /nfs/dbraw/zinc/74/81/80/454748180.db2.gz LFOWQIAANVGILJ-MRXNPFEDSA-N -1 3 332.400 3.458 20 30 EGEDHM COc1ccsc1S(=O)(=O)[N-][C@@H](CCC#N)c1ccccc1 ZINC000124585309 454749963 /nfs/dbraw/zinc/74/99/63/454749963.db2.gz ORGLSYIDPFMRAQ-ZDUSSCGKSA-N -1 3 336.438 3.080 20 30 EGEDHM Cn1ncc2c1ncnc2[N-]c1ncc(Cc2ccc(C#N)cc2)s1 ZINC000163210532 454830152 /nfs/dbraw/zinc/83/01/52/454830152.db2.gz IRQXXQNHBARLRP-UHFFFAOYSA-N -1 3 347.407 3.026 20 30 EGEDHM COc1cc(Br)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000111160353 454858167 /nfs/dbraw/zinc/85/81/67/454858167.db2.gz GMPDFYTXIUWMRN-LBPRGKRZSA-N -1 3 331.169 3.343 20 30 EGEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000111236212 454859559 /nfs/dbraw/zinc/85/95/59/454859559.db2.gz DIPIZQCKTPQBJG-HNNXBMFYSA-N -1 3 344.480 3.489 20 30 EGEDHM COCc1nc(C)c(C(=O)[N-]c2sc3c(c2C#N)CCC3)s1 ZINC000179882131 455093235 /nfs/dbraw/zinc/09/32/35/455093235.db2.gz RHTWOXGCMDGXLP-UHFFFAOYSA-N -1 3 333.438 3.272 20 30 EGEDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(C#N)c(Cl)c3)[n-]2)o1 ZINC000156231191 455095514 /nfs/dbraw/zinc/09/55/14/455095514.db2.gz OXCJDPPJCQRQKN-UHFFFAOYSA-N -1 3 327.731 3.151 20 30 EGEDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(C#N)c(Cl)c3)n2)o1 ZINC000156231191 455095516 /nfs/dbraw/zinc/09/55/16/455095516.db2.gz OXCJDPPJCQRQKN-UHFFFAOYSA-N -1 3 327.731 3.151 20 30 EGEDHM Cc1ccc(-c2nc(NC(=O)c3ccc(C#N)c(Cl)c3)n[n-]2)o1 ZINC000156231191 455095517 /nfs/dbraw/zinc/09/55/17/455095517.db2.gz OXCJDPPJCQRQKN-UHFFFAOYSA-N -1 3 327.731 3.151 20 30 EGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1COC2(CCCC2)O1 ZINC000271590524 455694070 /nfs/dbraw/zinc/69/40/70/455694070.db2.gz YIEYCNBICCWCPP-QOSBVPTNSA-N -1 3 340.217 3.259 20 30 EGEDHM CN(C)CCN(Cc1ccc(C#N)cc1)Cc1c(F)ccc([O-])c1F ZINC000293841945 455798478 /nfs/dbraw/zinc/79/84/78/455798478.db2.gz HEPWCAWPKCWWPS-UHFFFAOYSA-N -1 3 345.393 3.106 20 30 EGEDHM N#C[C@H]1CC[C@@H](Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC000278500116 455837907 /nfs/dbraw/zinc/83/79/07/455837907.db2.gz CRQFZUPOUAGETN-WCQYABFASA-N -1 3 337.408 3.305 20 30 EGEDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000187135303 455872759 /nfs/dbraw/zinc/87/27/59/455872759.db2.gz QUKZVWAEDBPWDP-UHFFFAOYSA-N -1 3 343.452 3.038 20 30 EGEDHM N#Cc1ccc(Br)c(OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000601092363 460707235 /nfs/dbraw/zinc/70/72/35/460707235.db2.gz ZBYHOIMOJJYBGV-UHFFFAOYSA-N -1 3 346.184 3.273 20 30 EGEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1csc(CO)n1 ZINC000601128880 460722772 /nfs/dbraw/zinc/72/27/72/460722772.db2.gz GAVPPXJHVKTVPF-SNVBAGLBSA-N -1 3 333.438 3.139 20 30 EGEDHM CCCOc1ccc(/C=N/[C@@H]2C[C@H](OCC)[C@]23CCCO3)c([O-])c1 ZINC000273543774 456237269 /nfs/dbraw/zinc/23/72/69/456237269.db2.gz UHQUTEHTFKSUHC-LRFLBPIYSA-N -1 3 333.428 3.327 20 30 EGEDHM Cc1cccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1 ZINC000273789558 456244598 /nfs/dbraw/zinc/24/45/98/456244598.db2.gz USWCUARPCMBVBL-UHFFFAOYSA-N -1 3 334.379 3.419 20 30 EGEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000337425855 456352387 /nfs/dbraw/zinc/35/23/87/456352387.db2.gz AOZOZDHVEUXCTL-UHFFFAOYSA-N -1 3 328.322 3.065 20 30 EGEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000337425855 456352394 /nfs/dbraw/zinc/35/23/94/456352394.db2.gz AOZOZDHVEUXCTL-UHFFFAOYSA-N -1 3 328.322 3.065 20 30 EGEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000337425855 456352400 /nfs/dbraw/zinc/35/24/00/456352400.db2.gz AOZOZDHVEUXCTL-UHFFFAOYSA-N -1 3 328.322 3.065 20 30 EGEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000352939702 456422876 /nfs/dbraw/zinc/42/28/76/456422876.db2.gz BTFYFGDMBYNOER-OAHLLOKOSA-N -1 3 345.447 3.166 20 30 EGEDHM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1nnc(-c3ccccn3)[n-]1)O2 ZINC000328588809 456714593 /nfs/dbraw/zinc/71/45/93/456714593.db2.gz QLOODWFITHXTBM-OAHLLOKOSA-N -1 3 335.367 3.157 20 30 EGEDHM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1nc(-c3ccccn3)n[n-]1)O2 ZINC000328588809 456714599 /nfs/dbraw/zinc/71/45/99/456714599.db2.gz QLOODWFITHXTBM-OAHLLOKOSA-N -1 3 335.367 3.157 20 30 EGEDHM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1n[n-]c(-c3ccccn3)n1)O2 ZINC000328588809 456714602 /nfs/dbraw/zinc/71/46/02/456714602.db2.gz QLOODWFITHXTBM-OAHLLOKOSA-N -1 3 335.367 3.157 20 30 EGEDHM O=C(Nc1cccc([O-])c1F)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000328587204 456714642 /nfs/dbraw/zinc/71/46/42/456714642.db2.gz HIVBJFGQGVJKTI-SFHVURJKSA-N -1 3 344.386 3.317 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccc([C@H]3CCCOC3)cc2)nc(C)n1 ZINC000329251164 456860937 /nfs/dbraw/zinc/86/09/37/456860937.db2.gz BGWFDYBEDRCCOZ-ROUUACIJSA-N -1 3 335.407 3.478 20 30 EGEDHM Cc1sc([N-]C(=O)c2csc(-c3cnn(C)c3)n2)c(C#N)c1C ZINC000341648895 456883573 /nfs/dbraw/zinc/88/35/73/456883573.db2.gz SKXMZGLKJFYKOG-UHFFFAOYSA-N -1 3 343.437 3.346 20 30 EGEDHM Cn1cc(C(=O)NC(C)(C)c2ccc(C(C)(C)C)cc2)c(=O)[n-]c1=O ZINC000330422617 457041683 /nfs/dbraw/zinc/04/16/83/457041683.db2.gz QOQJKOPOWXDPEH-UHFFFAOYSA-N -1 3 343.427 3.023 20 30 EGEDHM COCc1nocc1C(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000362757140 457080427 /nfs/dbraw/zinc/08/04/27/457080427.db2.gz QSTQWHMJYYPHAG-NSHDSACASA-N -1 3 331.397 3.468 20 30 EGEDHM COCc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000362856139 457127084 /nfs/dbraw/zinc/12/70/84/457127084.db2.gz PTFAPTIDVMOPRX-UHFFFAOYSA-N -1 3 336.800 3.159 20 30 EGEDHM C=CCOc1cccnc1-c1nc(-c2ccc([O-])c(OC)c2)no1 ZINC000350585709 457189489 /nfs/dbraw/zinc/18/94/89/457189489.db2.gz UUHIWAIZULFFTO-UHFFFAOYSA-N -1 3 325.324 3.078 20 30 EGEDHM COc1ccc(C([O-])=C(C#N)c2ccncn2)cc1-c1ccccn1 ZINC000354472653 457246491 /nfs/dbraw/zinc/24/64/91/457246491.db2.gz PEFJQTRFKKUSLV-OAHLLOKOSA-N -1 3 330.347 3.037 20 30 EGEDHM CCCOc1c(Cl)cc(C([O-])=C(C#N)c2ccncn2)cc1OC ZINC000354476294 457247976 /nfs/dbraw/zinc/24/79/76/457247976.db2.gz ZDEYZZMSIJTCIU-LBPRGKRZSA-N -1 3 345.786 3.417 20 30 EGEDHM N#C[C@@H]1N(C(=O)c2cc([O-])ccc2Cl)CCC[C@]12CCCCO2 ZINC000352016657 457332462 /nfs/dbraw/zinc/33/24/62/457332462.db2.gz YUXQWQHCNBRCLH-DOTOQJQBSA-N -1 3 334.803 3.113 20 30 EGEDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c([O-])c1O ZINC000364696387 457675653 /nfs/dbraw/zinc/67/56/53/457675653.db2.gz BPWGBNAHWDXKKK-IAGOWNOFSA-N -1 3 336.391 3.318 20 30 EGEDHM N#CC(=C([O-])c1ccc(OC(F)F)cn1)c1nc2ccccc2[nH]1 ZINC000357777528 457685717 /nfs/dbraw/zinc/68/57/17/457685717.db2.gz DWTWORQSPNYECQ-SNVBAGLBSA-N -1 3 328.278 3.049 20 30 EGEDHM N#CC(=C([O-])c1ccc2nccnc2c1)c1cnc2ccccc2n1 ZINC000361530958 457775022 /nfs/dbraw/zinc/77/50/22/457775022.db2.gz NEPGLKBUASCTTL-ZDUSSCGKSA-N -1 3 325.331 3.063 20 30 EGEDHM C=CCn1c(=O)[n-]nc1SCc1sccc1Br ZINC000361590222 457803372 /nfs/dbraw/zinc/80/33/72/457803372.db2.gz IYRUFEXPTIXUDT-UHFFFAOYSA-N -1 3 332.248 3.286 20 30 EGEDHM C=CCN(Cc1ccc(OC)cc1)[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000411175477 457819824 /nfs/dbraw/zinc/81/98/24/457819824.db2.gz DLNUMBUAWUNRKC-CQSZACIVSA-N -1 3 329.400 3.007 20 30 EGEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000435676442 458182577 /nfs/dbraw/zinc/18/25/77/458182577.db2.gz TXWGRGRXYQFTGX-UHFFFAOYSA-N -1 3 346.390 3.166 20 30 EGEDHM C=CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1C1CC1 ZINC000412981520 458289204 /nfs/dbraw/zinc/28/92/04/458289204.db2.gz VSICZIIZPFBCGK-UHFFFAOYSA-N -1 3 329.429 3.007 20 30 EGEDHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])nn1-c1cccc(C#N)c1 ZINC000436526494 458324281 /nfs/dbraw/zinc/32/42/81/458324281.db2.gz JESYIEFQXYKHTO-UHFFFAOYSA-N -1 3 336.326 3.149 20 30 EGEDHM N#Cc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1sccc1F ZINC000416661179 458351478 /nfs/dbraw/zinc/35/14/78/458351478.db2.gz LSCMOLHVUSYSBH-AWEZNQCLSA-N -1 3 336.413 3.115 20 30 EGEDHM N#CC1(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)CCC1 ZINC000416665797 458352031 /nfs/dbraw/zinc/35/20/31/458352031.db2.gz DGWGURFAYCFPDI-UHFFFAOYSA-N -1 3 333.240 3.107 20 30 EGEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(CC#N)CC2)c1Cl ZINC000429984166 458387855 /nfs/dbraw/zinc/38/78/55/458387855.db2.gz ZZRNETSCJMVTAB-UHFFFAOYSA-N -1 3 333.240 3.274 20 30 EGEDHM C=CCOCCCC(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000439158084 458663731 /nfs/dbraw/zinc/66/37/31/458663731.db2.gz GOOKBGWTOJMXFJ-UHFFFAOYSA-N -1 3 349.818 3.082 20 30 EGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000548797665 458874087 /nfs/dbraw/zinc/87/40/87/458874087.db2.gz RGPJJWJOKUFGRF-WBVHZDCISA-N -1 3 349.369 3.009 20 30 EGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000548797665 458874091 /nfs/dbraw/zinc/87/40/91/458874091.db2.gz RGPJJWJOKUFGRF-WBVHZDCISA-N -1 3 349.369 3.009 20 30 EGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000548797665 458874097 /nfs/dbraw/zinc/87/40/97/458874097.db2.gz RGPJJWJOKUFGRF-WBVHZDCISA-N -1 3 349.369 3.009 20 30 EGEDHM C=CCN(Cc1cc(Br)ccc1F)[C@@H](C(=O)[O-])C1CC1 ZINC000518546227 458877813 /nfs/dbraw/zinc/87/78/13/458877813.db2.gz BCYHWIKPGDIJHD-CQSZACIVSA-N -1 3 342.208 3.439 20 30 EGEDHM C=CCCO[C@H](C)C(=O)N=c1cc(-c2cc(C)c(C)cc2C)[n-][nH]1 ZINC000519194213 458924973 /nfs/dbraw/zinc/92/49/73/458924973.db2.gz INHIFOLGJARJTN-OAHLLOKOSA-N -1 3 327.428 3.344 20 30 EGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000496251371 459124172 /nfs/dbraw/zinc/12/41/72/459124172.db2.gz CKSUFPNLSORPGW-UKRRQHHQSA-N -1 3 334.416 3.265 20 30 EGEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1Cl)C1CCCC1 ZINC000594706843 459134906 /nfs/dbraw/zinc/13/49/06/459134906.db2.gz XLUATYSUOQLYGL-HNNXBMFYSA-N -1 3 342.848 3.159 20 30 EGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000594856767 459162251 /nfs/dbraw/zinc/16/22/51/459162251.db2.gz AYYPQESFPDQHCY-GFCCVEGCSA-N -1 3 332.347 3.044 20 30 EGEDHM CC(C)(C)c1cc([N-]C(=O)c2cc3ncccn3n2)c(C#N)s1 ZINC000591856445 459455381 /nfs/dbraw/zinc/45/53/81/459455381.db2.gz CEURPZMCNYBULK-UHFFFAOYSA-N -1 3 325.397 3.212 20 30 EGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1Cl ZINC000596027966 459498536 /nfs/dbraw/zinc/49/85/36/459498536.db2.gz FKUQNKVPSPJCLK-QMMMGPOBSA-N -1 3 342.726 3.282 20 30 EGEDHM CC(C)(C)OC(=O)C(C)(C)CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596281174 459582799 /nfs/dbraw/zinc/58/27/99/459582799.db2.gz NYSSCDNBZIGUDH-UHFFFAOYSA-N -1 3 329.853 3.260 20 30 EGEDHM N#CC(=C([O-])c1cc2ccccc2n1CC(F)(F)F)c1ccncn1 ZINC000490936889 459591658 /nfs/dbraw/zinc/59/16/58/459591658.db2.gz JPRCXHBYKSGOLJ-LBPRGKRZSA-N -1 3 344.296 3.484 20 30 EGEDHM CC(C)Cn1nccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000573205864 459641653 /nfs/dbraw/zinc/64/16/53/459641653.db2.gz FZNDFZGQQWELAE-GFCCVEGCSA-N -1 3 336.317 3.443 20 30 EGEDHM C#C[C@H](NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccc(F)cc1 ZINC000491738685 459664077 /nfs/dbraw/zinc/66/40/77/459664077.db2.gz SSVWTVVNUICYHS-AWEZNQCLSA-N -1 3 341.386 3.032 20 30 EGEDHM C=CCCn1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)nn1 ZINC000564881374 459778118 /nfs/dbraw/zinc/77/81/18/459778118.db2.gz VEISDTPMFVACPS-LLVKDONJSA-N -1 3 341.440 3.164 20 30 EGEDHM Cc1c([N-]S(=O)(=O)CCC(C)(C)C#N)cnn1-c1ccc(C)cc1 ZINC000593218959 459810824 /nfs/dbraw/zinc/81/08/24/459810824.db2.gz MZWHMBPSFFOJLO-UHFFFAOYSA-N -1 3 346.456 3.171 20 30 EGEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000575142977 459936580 /nfs/dbraw/zinc/93/65/80/459936580.db2.gz JJPQPAAWLKEJHX-MSOLQXFVSA-N -1 3 325.408 3.328 20 30 EGEDHM CC[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CCN1Cc1ccccc1 ZINC000589203285 460052890 /nfs/dbraw/zinc/05/28/90/460052890.db2.gz CAZRYVYFVQDKEB-IBGZPJMESA-N -1 3 349.434 3.000 20 30 EGEDHM CCCn1cc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)nn1 ZINC000611225912 460311713 /nfs/dbraw/zinc/31/17/13/460311713.db2.gz MNRQJLMCDPPADP-UHFFFAOYSA-N -1 3 329.429 3.142 20 30 EGEDHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccccc1CC#N)C(F)(F)F ZINC000601404078 460806060 /nfs/dbraw/zinc/80/60/60/460806060.db2.gz GISUNAWDIMIAIQ-MFKMUULPSA-N -1 3 334.363 3.008 20 30 EGEDHM CN(C)Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1Cl ZINC000357963488 536015454 /nfs/dbraw/zinc/01/54/54/536015454.db2.gz IDCHVMPJHBBGMC-UHFFFAOYSA-N -1 3 329.787 3.231 20 30 EGEDHM Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)[N-]O ZINC000671997279 548378369 /nfs/dbraw/zinc/37/83/69/548378369.db2.gz ALQKFVDRZPEPIO-UHFFFAOYSA-N -1 3 334.590 3.319 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2cnc(OC(C)C)c(Cl)c2)nc(C)n1 ZINC000678323890 549469103 /nfs/dbraw/zinc/46/91/03/549469103.db2.gz VNKDWVLJVWXJPI-CYBMUJFWSA-N -1 3 344.802 3.419 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1ccsc1 ZINC000726339460 574549132 /nfs/dbraw/zinc/54/91/32/574549132.db2.gz CZIUPGVLKBOXHI-UHFFFAOYSA-N -1 3 330.409 3.056 20 30 EGEDHM COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738073585 574650670 /nfs/dbraw/zinc/65/06/70/574650670.db2.gz HMNBQWVYHBRFDR-RBUKOAKNSA-N -1 3 336.391 3.360 20 30 EGEDHM O=C(C=Cc1coc(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000737810591 575025172 /nfs/dbraw/zinc/02/51/72/575025172.db2.gz ZWXNGIPNLFNEGA-KTKRTIGZSA-N -1 3 343.346 3.418 20 30 EGEDHM O=C(C=Cc1coc(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000737810591 575025175 /nfs/dbraw/zinc/02/51/75/575025175.db2.gz ZWXNGIPNLFNEGA-KTKRTIGZSA-N -1 3 343.346 3.418 20 30 EGEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000730995993 575042667 /nfs/dbraw/zinc/04/26/67/575042667.db2.gz GQHRSNRVVGFSLX-UHFFFAOYSA-N -1 3 335.812 3.461 20 30 EGEDHM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)c1 ZINC000730995130 575042753 /nfs/dbraw/zinc/04/27/53/575042753.db2.gz AAWBOUBHQBXMFN-UHFFFAOYSA-N -1 3 345.420 3.207 20 30 EGEDHM C#CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000730996517 575043028 /nfs/dbraw/zinc/04/30/28/575043028.db2.gz QNJOAYGAUQRSDO-UHFFFAOYSA-N -1 3 345.420 3.125 20 30 EGEDHM Cc1ccccc1C(=N[N-]S(=O)(=O)Cc1ccccc1)C1CC1 ZINC000731925608 575220762 /nfs/dbraw/zinc/22/07/62/575220762.db2.gz MTKJTICYIHQWHY-UHFFFAOYSA-N -1 3 328.437 3.229 20 30 EGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@@H]1c1ccccc1 ZINC000732528626 575274346 /nfs/dbraw/zinc/27/43/46/575274346.db2.gz RUIMEJFLQZXROF-QGZVFWFLSA-N -1 3 328.437 3.430 20 30 EGEDHM CC[C@H](C#N)Oc1cc(CNC(=O)c2cc([O-])cs2)ccc1OC ZINC000733367634 575330861 /nfs/dbraw/zinc/33/08/61/575330861.db2.gz QSEARNFRWAPWNS-CYBMUJFWSA-N -1 3 346.408 3.073 20 30 EGEDHM CC[C@@H](C#N)Oc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736849281 576047353 /nfs/dbraw/zinc/04/73/53/576047353.db2.gz QPYUYXNUYXVVQC-HKUYNNGSSA-N -1 3 349.390 3.155 20 30 EGEDHM COc1ccc(N=Cc2c([O-])ccc3ccccc23)cc1-n1cnnn1 ZINC000741463797 576688431 /nfs/dbraw/zinc/68/84/31/576688431.db2.gz ILCUJOYUIZKISV-UHFFFAOYSA-N -1 3 345.362 3.280 20 30 EGEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCC[C@@H]1c1ccccc1 ZINC000743448349 576809355 /nfs/dbraw/zinc/80/93/55/576809355.db2.gz KWZFNPVXQWFRBE-GOSISDBHSA-N -1 3 342.464 3.472 20 30 EGEDHM Cc1ccccc1C1CC(=N[N-]S(=O)(=O)CCc2ccccc2)C1 ZINC000743449488 576809471 /nfs/dbraw/zinc/80/94/71/576809471.db2.gz YYKZLRPRBYEMIZ-UHFFFAOYSA-N -1 3 342.464 3.391 20 30 EGEDHM COC(=O)C[C@H](/N=C/c1ccc(O)c([O-])c1O)c1cccc(Cl)c1 ZINC000743502935 576810536 /nfs/dbraw/zinc/81/05/36/576810536.db2.gz MCPRWVPDYMFOIA-PFHXIJNMSA-N -1 3 349.770 3.180 20 30 EGEDHM COc1ccc(C)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821782484 607457746 /nfs/dbraw/zinc/45/77/46/607457746.db2.gz FUJKUJSTOAHJGQ-VOTSOKGWSA-N -1 3 338.342 3.219 20 30 EGEDHM COc1ccc(C)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821782484 607457747 /nfs/dbraw/zinc/45/77/47/607457747.db2.gz FUJKUJSTOAHJGQ-VOTSOKGWSA-N -1 3 338.342 3.219 20 30 EGEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000822669899 607460329 /nfs/dbraw/zinc/46/03/29/607460329.db2.gz UARDRKRQJNAGEK-HJWRWDBZSA-N -1 3 347.353 3.394 20 30 EGEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000822669899 607460331 /nfs/dbraw/zinc/46/03/31/607460331.db2.gz UARDRKRQJNAGEK-HJWRWDBZSA-N -1 3 347.353 3.394 20 30 EGEDHM Cc1c(Cl)cccc1NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822035180 607463483 /nfs/dbraw/zinc/46/34/83/607463483.db2.gz RNJRYMVVTLZQMX-UHFFFAOYSA-N -1 3 330.754 3.414 20 30 EGEDHM Cc1c(Cl)cccc1NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822035180 607463484 /nfs/dbraw/zinc/46/34/84/607463484.db2.gz RNJRYMVVTLZQMX-UHFFFAOYSA-N -1 3 330.754 3.414 20 30 EGEDHM CN(Cc1ccc(C#N)cc1OC(F)F)[C@H](C(=O)[O-])c1ccccc1 ZINC000830810652 601534144 /nfs/dbraw/zinc/53/41/44/601534144.db2.gz CZJJCHGLUUKQEN-INIZCTEOSA-N -1 3 346.333 3.417 20 30 EGEDHM C[C@H](Nc1nc2ccccc2cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820462314 606041420 /nfs/dbraw/zinc/04/14/20/606041420.db2.gz XHOPDBIVVOBVGF-LBPRGKRZSA-N -1 3 341.378 3.460 20 30 EGEDHM C[C@H](Nc1nc2ccccc2cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820462314 606041426 /nfs/dbraw/zinc/04/14/26/606041426.db2.gz XHOPDBIVVOBVGF-LBPRGKRZSA-N -1 3 341.378 3.460 20 30 EGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1c[nH]c2cc(F)ccc12 ZINC000822922207 606391450 /nfs/dbraw/zinc/39/14/50/606391450.db2.gz DGQDLWSTPHLTIA-GORDUTHDSA-N -1 3 339.355 3.445 20 30 EGEDHM N#Cc1cccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822837810 606463059 /nfs/dbraw/zinc/46/30/59/606463059.db2.gz UKCNACRZOSMSNO-UHFFFAOYSA-N -1 3 344.300 3.369 20 30 EGEDHM N#Cc1cccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822837810 606463060 /nfs/dbraw/zinc/46/30/60/606463060.db2.gz UKCNACRZOSMSNO-UHFFFAOYSA-N -1 3 344.300 3.369 20 30 EGEDHM CCCCCC(C)(C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000821043861 606603775 /nfs/dbraw/zinc/60/37/75/606603775.db2.gz UGJYHANFGDZGAY-UHFFFAOYSA-N -1 3 326.404 3.283 20 30 EGEDHM CCCCCC(C)(C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000821043861 606603777 /nfs/dbraw/zinc/60/37/77/606603777.db2.gz UGJYHANFGDZGAY-UHFFFAOYSA-N -1 3 326.404 3.283 20 30 EGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2n1 ZINC000819783219 606617638 /nfs/dbraw/zinc/61/76/38/606617638.db2.gz SYPHBXYBFVICQS-UHFFFAOYSA-N -1 3 329.367 3.251 20 30 EGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2n1 ZINC000819783219 606617640 /nfs/dbraw/zinc/61/76/40/606617640.db2.gz SYPHBXYBFVICQS-UHFFFAOYSA-N -1 3 329.367 3.251 20 30 EGEDHM Fc1cc(F)cc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000822753232 607147401 /nfs/dbraw/zinc/14/74/01/607147401.db2.gz JUHKIRJAYLQJKD-UHFFFAOYSA-N -1 3 339.309 3.072 20 30 EGEDHM N#Cc1c(Cl)nsc1Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826383021 608172651 /nfs/dbraw/zinc/17/26/51/608172651.db2.gz GPBVHIXTEAFQGM-UHFFFAOYSA-N -1 3 339.167 3.294 20 30 EGEDHM N#Cc1c(Cl)nsc1Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826383021 608172653 /nfs/dbraw/zinc/17/26/53/608172653.db2.gz GPBVHIXTEAFQGM-UHFFFAOYSA-N -1 3 339.167 3.294 20 30 EGEDHM C=C(C)CSCc1ccc(-c2nnn[n-]2)cc1Br ZINC000823877855 609328092 /nfs/dbraw/zinc/32/80/92/609328092.db2.gz IPWUJNOHGJRDAM-UHFFFAOYSA-N -1 3 325.235 3.439 20 30 EGEDHM C=C(C)CSCc1ccc(-c2nn[n-]n2)cc1Br ZINC000823877855 609328093 /nfs/dbraw/zinc/32/80/93/609328093.db2.gz IPWUJNOHGJRDAM-UHFFFAOYSA-N -1 3 325.235 3.439 20 30 EGEDHM C[C@H]1C[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC(C)(C)C1 ZINC000824864398 609584527 /nfs/dbraw/zinc/58/45/27/609584527.db2.gz BBDPTAUVNCTGMI-NWDGAFQWSA-N -1 3 338.415 3.139 20 30 EGEDHM C[C@H]1C[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC(C)(C)C1 ZINC000824864398 609584531 /nfs/dbraw/zinc/58/45/31/609584531.db2.gz BBDPTAUVNCTGMI-NWDGAFQWSA-N -1 3 338.415 3.139 20 30 EGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc3c(s2)CCOC3)c1 ZINC000103330029 1293002291 /nfs/dbraw/zinc/00/22/91/1293002291.db2.gz HBFPHQSWYVVFRS-CQSZACIVSA-N -1 3 340.404 3.090 20 30 EGEDHM CCOC(=O)C(C)(C)ON=Cc1cc(Cl)c([O-])c(OCC)c1 ZINC000835003804 1293185917 /nfs/dbraw/zinc/18/59/17/1293185917.db2.gz DBLXEMIXQPDRLW-UHFFFAOYSA-N -1 3 329.780 3.137 20 30 EGEDHM CCn1nc(C)c(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)c1C ZINC000122528123 1293416771 /nfs/dbraw/zinc/41/67/71/1293416771.db2.gz 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CC(=O)c1cccc([O-])c1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC001181203084 1386958565 /nfs/dbraw/zinc/95/85/65/1386958565.db2.gz BKHJZDDLICJLPC-UHFFFAOYSA-N -1 3 338.363 3.263 20 30 EGEDHM C=C(C)Cc1cccc(-c2nnc(N(C)CC(F)(F)F)n2C)c1[O-] ZINC001339317227 1389989816 /nfs/dbraw/zinc/98/98/16/1389989816.db2.gz QYNHCPBBRBHHAJ-UHFFFAOYSA-N -1 3 340.349 3.305 20 30 EGEDHM CSc1nc(C([O-])=C(C#N)c2cccc(F)n2)c2ccccn12 ZINC001344587008 1390801376 /nfs/dbraw/zinc/80/13/76/1390801376.db2.gz MXULLLQAPFYXNT-JTQLQIEISA-N -1 3 326.356 3.080 20 30 EGEDHM CCCCCCCCCC(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001350439251 1391464661 /nfs/dbraw/zinc/46/46/61/1391464661.db2.gz FCNGQIILZGLVRF-MRXNPFEDSA-N -1 3 348.491 3.326 20 30 EGEDHM C[C@@H](NCC#Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824553309 1425069953 /nfs/dbraw/zinc/06/99/53/1425069953.db2.gz BLJHKBWQTTXUCI-CYBMUJFWSA-N -1 3 337.814 3.222 20 30 EGEDHM C#CC[C@H](N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC000823837745 1429994254 /nfs/dbraw/zinc/99/42/54/1429994254.db2.gz GYVMOAFLCDKEHS-ACJLOTCBSA-N -1 3 335.386 3.421 20 30 EGEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001756703832 1441044559 /nfs/dbraw/zinc/04/45/59/1441044559.db2.gz HTZZAIIJWSZKDJ-OXQOHEQNSA-N -1 3 346.471 3.255 20 30 EGEDHM CC(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000824364337 946669142 /nfs/dbraw/zinc/66/91/42/946669142.db2.gz BOOXCUWNATUUGG-GQCTYLIASA-N -1 3 343.387 3.482 20 30 EGEDHM CC(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000824364337 946669149 /nfs/dbraw/zinc/66/91/49/946669149.db2.gz BOOXCUWNATUUGG-GQCTYLIASA-N -1 3 343.387 3.482 20 30 EGEDHM C=C1CCC(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CC1 ZINC001573296370 947045656 /nfs/dbraw/zinc/04/56/56/947045656.db2.gz OFICFKDTGYUFSM-UHFFFAOYSA-N -1 3 343.456 3.492 20 30 EGEDHM C=C1CCC(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CC1 ZINC001573296370 947045668 /nfs/dbraw/zinc/04/56/68/947045668.db2.gz OFICFKDTGYUFSM-UHFFFAOYSA-N -1 3 343.456 3.492 20 30 EGEDHM C=CCCC(C)(C)CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001573328235 947404823 /nfs/dbraw/zinc/40/48/23/947404823.db2.gz SRLBZDNBCFYTPJ-ZDUSSCGKSA-N -1 3 342.447 3.219 20 30 EGEDHM C=CCCC(C)(C)CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001573328235 947404828 /nfs/dbraw/zinc/40/48/28/947404828.db2.gz SRLBZDNBCFYTPJ-ZDUSSCGKSA-N -1 3 342.447 3.219 20 30 EGEDHM O=C(C=Cc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399910 948216225 /nfs/dbraw/zinc/21/62/25/948216225.db2.gz JRLKYIAVIMYXCD-RJRFIUFISA-N -1 3 330.269 3.180 20 30 EGEDHM O=C(C=Cc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399910 948216235 /nfs/dbraw/zinc/21/62/35/948216235.db2.gz JRLKYIAVIMYXCD-RJRFIUFISA-N -1 3 330.269 3.180 20 30 EGEDHM C[C@H](C(=O)[O-])C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC001602795733 971558394 /nfs/dbraw/zinc/55/83/94/971558394.db2.gz NGNQGQOKXOZREH-XPUUQOCRSA-N -1 3 342.298 3.212 20 30 EGEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2)cc1OC ZINC000904262918 956951633 /nfs/dbraw/zinc/95/16/33/956951633.db2.gz MWALKQNYSAHUSI-IBGZPJMESA-N -1 3 341.407 3.484 20 30 EGEDHM C#C[C@@H](C)N(C)Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001588367931 983302849 /nfs/dbraw/zinc/30/28/49/983302849.db2.gz CZTZKFABKSLIOC-CYBMUJFWSA-N -1 3 343.379 3.019 20 30 EGEDHM C[C@@H](C#N)Oc1ccc(CN[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001589335461 986210943 /nfs/dbraw/zinc/21/09/43/986210943.db2.gz RFUCUOJDBFUXIS-ORAYPTAESA-N -1 3 342.370 3.206 20 30 EGEDHM CC(C)(CCN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC001590670558 990372105 /nfs/dbraw/zinc/37/21/05/990372105.db2.gz ACTYZYAXBBGOLI-MRXNPFEDSA-N -1 3 349.862 3.023 20 30 EGEDHM N#Cc1c([N-]C(=O)c2cc3nccnc3cc2F)sc2c1CCC2 ZINC000347968443 283082480 /nfs/dbraw/zinc/08/24/80/283082480.db2.gz KAVOKJFYNDASKV-UHFFFAOYSA-N -1 3 338.367 3.443 20 30 EGEDHM Cc1cc(F)c(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)cc1F ZINC000341076567 155143004 /nfs/dbraw/zinc/14/30/04/155143004.db2.gz KDNITHDCZQHLLD-UHFFFAOYSA-N -1 3 348.374 3.113 20 30 EGEDHM COc1cc(C#N)ccc1OCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116979838 152084204 /nfs/dbraw/zinc/08/42/04/152084204.db2.gz UQROESNDWRBWCL-UHFFFAOYSA-N -1 3 346.770 3.252 20 30 EGEDHM CCN(C(=O)c1cc(F)cc2[n-]nnc21)[C@H](C)c1ccc(C#N)cc1 ZINC000337436150 154351671 /nfs/dbraw/zinc/35/16/71/154351671.db2.gz HRHPMTVQTKFDQM-LLVKDONJSA-N -1 3 337.358 3.192 20 30 EGEDHM CCN(C(=O)c1cc(F)cc2nn[n-]c21)[C@H](C)c1ccc(C#N)cc1 ZINC000337436150 154351675 /nfs/dbraw/zinc/35/16/75/154351675.db2.gz HRHPMTVQTKFDQM-LLVKDONJSA-N -1 3 337.358 3.192 20 30 EGEDHM CCN(C(=O)c1cc(F)cc2n[n-]nc21)[C@H](C)c1ccc(C#N)cc1 ZINC000337436150 154351679 /nfs/dbraw/zinc/35/16/79/154351679.db2.gz HRHPMTVQTKFDQM-LLVKDONJSA-N -1 3 337.358 3.192 20 30 EGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000337006198 163102703 /nfs/dbraw/zinc/10/27/03/163102703.db2.gz ZAZSQDVVSCOLBY-UHFFFAOYSA-N -1 3 348.802 3.315 20 30 EGEDHM C#CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000270432127 270039500 /nfs/dbraw/zinc/03/95/00/270039500.db2.gz IGIBMNXLSGATEB-IBGZPJMESA-N -1 3 347.418 3.089 20 30 EGEDHM COc1cncc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)C[C@H](C)C3)n1 ZINC000411018438 270046724 /nfs/dbraw/zinc/04/67/24/270046724.db2.gz TXMZIYVXEQUSAT-VHSXEESVSA-N -1 3 342.424 3.356 20 30 EGEDHM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000426808802 270049747 /nfs/dbraw/zinc/04/97/47/270049747.db2.gz SMTDPNXHRLGDDA-OAHLLOKOSA-N -1 3 345.196 3.236 20 30 EGEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000317492717 267162588 /nfs/dbraw/zinc/16/25/88/267162588.db2.gz FTPQTJXBPRZYIG-GFCCVEGCSA-N -1 3 334.828 3.294 20 30 EGEDHM Cc1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000443036122 268052154 /nfs/dbraw/zinc/05/21/54/268052154.db2.gz IWVOIWKZCZLSQI-UHFFFAOYSA-N -1 3 334.828 3.041 20 30 EGEDHM N#Cc1ccc(OC2CCN(Cc3cc([O-])cc(F)c3)CC2)cc1 ZINC000274634617 268166895 /nfs/dbraw/zinc/16/68/95/268166895.db2.gz ZUCWPKGTAKJELP-UHFFFAOYSA-N -1 3 326.371 3.446 20 30 EGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC000451639011 268182066 /nfs/dbraw/zinc/18/20/66/268182066.db2.gz GXKWWPIGRSYEHC-NSHDSACASA-N -1 3 348.802 3.315 20 30 EGEDHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000341898081 279069520 /nfs/dbraw/zinc/06/95/20/279069520.db2.gz MVFXXDWRHFIZTF-MGPLVRAMSA-N -1 3 348.811 3.012 20 30 EGEDHM N#Cc1ccc(Cc2cnc([N-]c3ncnc4n[nH]cc43)s2)cc1 ZINC000163210242 307920960 /nfs/dbraw/zinc/92/09/60/307920960.db2.gz OENICSIKCBMAMH-UHFFFAOYSA-N -1 3 333.380 3.015 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CCC1 ZINC000157620683 455213476 /nfs/dbraw/zinc/21/34/76/455213476.db2.gz QJADRKORBIZQCB-SECBINFHSA-N -1 3 332.347 3.044 20 30 EGEDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000444212261 457869076 /nfs/dbraw/zinc/86/90/76/457869076.db2.gz KJHJSLVNFAGASW-MWLCHTKSSA-N -1 3 332.347 3.044 20 30 EGEDHM N#Cc1ccc(CC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000522214246 459227925 /nfs/dbraw/zinc/22/79/25/459227925.db2.gz SRUKELSJCCRQHD-UHFFFAOYSA-N -1 3 331.169 3.208 20 30 EGEDHM CCc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000181252621 455308297 /nfs/dbraw/zinc/30/82/97/455308297.db2.gz XZQUETHCXFWMGV-OAHLLOKOSA-N -1 3 346.390 3.097 20 30 EGEDHM COc1ccc(CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1OC ZINC000026255150 453795339 /nfs/dbraw/zinc/79/53/39/453795339.db2.gz UBZYEBKMRWHXOL-UHFFFAOYSA-N -1 3 344.293 3.062 20 30 EGEDHM COc1ccc(CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1OC ZINC000026255150 453795342 /nfs/dbraw/zinc/79/53/42/453795342.db2.gz UBZYEBKMRWHXOL-UHFFFAOYSA-N -1 3 344.293 3.062 20 30 EGEDHM N#Cc1ccccc1COc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000033221362 453911373 /nfs/dbraw/zinc/91/13/73/453911373.db2.gz GOQVSFPXIYPNDJ-UHFFFAOYSA-N -1 3 345.358 3.490 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(NC(=O)C(C)C)cc2)nc(C)n1 ZINC000041560148 453971710 /nfs/dbraw/zinc/97/17/10/453971710.db2.gz SBMOQXWIGMDAIH-MRXNPFEDSA-N -1 3 336.395 3.178 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(Nc3ncccn3)c2)nc(C)n1 ZINC000041560435 453972306 /nfs/dbraw/zinc/97/23/06/453972306.db2.gz GXYZQBHFZDAOBH-INIZCTEOSA-N -1 3 344.378 3.117 20 30 EGEDHM Cc1cc(F)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)cc1F ZINC000182010983 455416213 /nfs/dbraw/zinc/41/62/13/455416213.db2.gz GKGGNKQOCXSDAS-MEBBXXQBSA-N -1 3 328.384 3.024 20 30 EGEDHM [O-]c1ccccc1/C=N/CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000063427685 454411871 /nfs/dbraw/zinc/41/18/71/454411871.db2.gz QYMPKWIINSVUQI-CIAFOILYSA-N -1 3 339.391 3.288 20 30 EGEDHM Cc1nc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2)n[nH]1 ZINC000134120921 454506264 /nfs/dbraw/zinc/50/62/64/454506264.db2.gz DLBBWRSAIUCJTE-AWEZNQCLSA-N -1 3 342.362 3.147 20 30 EGEDHM CCCc1c(C([O-])=C(C#N)c2nc(C)cs2)[nH]c(C)c1C(=O)OC ZINC000048789509 454516181 /nfs/dbraw/zinc/51/61/81/454516181.db2.gz VMOVAZNCJBJRFQ-GFCCVEGCSA-N -1 3 345.424 3.317 20 30 EGEDHM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)c2ccccn2)n1 ZINC000065489553 454576477 /nfs/dbraw/zinc/57/64/77/454576477.db2.gz MUFZKRPLJBPULX-AWEZNQCLSA-N -1 3 332.363 3.074 20 30 EGEDHM CCCOc1ccc(CN(CCC#N)Cc2ccccn2)c([O-])c1 ZINC000093100620 454681807 /nfs/dbraw/zinc/68/18/07/454681807.db2.gz WENDVGYWBCPOAW-UHFFFAOYSA-N -1 3 325.412 3.492 20 30 EGEDHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000124964412 454786826 /nfs/dbraw/zinc/78/68/26/454786826.db2.gz CAGGJYFPYFOZNR-KBPBESRZSA-N -1 3 342.461 3.040 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1cc2ccccc2o1 ZINC000151028153 454926903 /nfs/dbraw/zinc/92/69/03/454926903.db2.gz PWIOWIFHBWHMMX-LLVKDONJSA-N -1 3 344.367 3.483 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccc(F)cc1F ZINC000152263011 455093894 /nfs/dbraw/zinc/09/38/94/455093894.db2.gz PNNFQQJRXXASMY-CYBMUJFWSA-N -1 3 338.317 3.344 20 30 EGEDHM N#CC(=C([O-])c1ccc(C2(C#N)CC2)cc1)c1nnc2n1CCCCC2 ZINC000179913815 455098091 /nfs/dbraw/zinc/09/80/91/455098091.db2.gz KHQJGMGQANACFB-MRXNPFEDSA-N -1 3 345.406 3.050 20 30 EGEDHM N#CC(=C([O-])c1ccc(C2(C#N)CC2)cc1)c1nnc2n1CCCCC2 ZINC000179913830 455098197 /nfs/dbraw/zinc/09/81/97/455098197.db2.gz KHQJGMGQANACFB-INIZCTEOSA-N -1 3 345.406 3.050 20 30 EGEDHM N#CC(=C([O-])c1ccc2c(c1)CCC(=O)N2)c1cnc2ccccc2n1 ZINC000190894185 455399123 /nfs/dbraw/zinc/39/91/23/455399123.db2.gz NRPCXMGLMPOSOL-AWEZNQCLSA-N -1 3 342.358 3.005 20 30 EGEDHM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)c2)o1 ZINC000161175915 455543903 /nfs/dbraw/zinc/54/39/03/455543903.db2.gz VAAXVBSROQXWNX-AWEZNQCLSA-N -1 3 343.346 3.411 20 30 EGEDHM CC[C@H](C/N=C\c1c([O-])c(C)ncc1CO)Oc1cccc(F)c1 ZINC000267778486 455555010 /nfs/dbraw/zinc/55/50/10/455555010.db2.gz MTWMYIYWIGKCMN-RKQRPNFGSA-N -1 3 332.375 3.004 20 30 EGEDHM Cc1ccc(C(=O)Nc2ncccc2OCCCC#N)c([O-])c1C ZINC000271367300 455613132 /nfs/dbraw/zinc/61/31/32/455613132.db2.gz ZABPICCDYXYTHD-UHFFFAOYSA-N -1 3 325.368 3.339 20 30 EGEDHM Cc1cc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c(C)o1 ZINC000277861655 455688849 /nfs/dbraw/zinc/68/88/49/455688849.db2.gz FEJHCGKRNQXMOI-UHFFFAOYSA-N -1 3 338.367 3.321 20 30 EGEDHM 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20 30 EGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1nccn1-c1ccccc1 ZINC000811187232 1318119721 /nfs/dbraw/zinc/11/97/21/1318119721.db2.gz CDOTUWXXXNROKS-ZDUSSCGKSA-N -1 3 333.347 3.368 20 30 EGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1noc(-c2ccccc2)n1 ZINC000811188051 1318120368 /nfs/dbraw/zinc/12/03/68/1318120368.db2.gz UDFIFRWJQDIBSS-LLVKDONJSA-N -1 3 335.319 3.232 20 30 EGEDHM Cc1nsc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1C#N ZINC000811513990 1318192760 /nfs/dbraw/zinc/19/27/60/1318192760.db2.gz YWRWRMSYULWCFS-UHFFFAOYSA-N -1 3 348.859 3.004 20 30 EGEDHM C=CCn1cc(CN[C@H](C)c2cc(Cl)c(Cl)cc2[O-])nn1 ZINC000818346992 1319533655 /nfs/dbraw/zinc/53/36/55/1319533655.db2.gz LZZORVLKTCINFP-SECBINFHSA-N -1 3 327.215 3.327 20 30 EGEDHM CCOc1cc(C=NN2C(=S)N=NC2C(C)C)cc(Cl)c1[O-] ZINC000916310908 1319638040 /nfs/dbraw/zinc/63/80/40/1319638040.db2.gz PSXWYBFKDBWWGL-UHFFFAOYSA-N -1 3 340.836 3.330 20 30 EGEDHM Cc1ncc(CO)c(C=Nc2ccc(OCc3ccccc3)nc2)c1[O-] ZINC000917557110 1319835665 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C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)c2ccccc2[O-])CC1 ZINC001060771250 1351108321 /nfs/dbraw/zinc/10/83/21/1351108321.db2.gz OEXVZUOVJYZONP-SHTZXODSSA-N -1 3 344.455 3.009 20 30 EGEDHM C=C[C@@H](CC)CC(=O)NC1(C)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001072883124 1355483211 /nfs/dbraw/zinc/48/32/11/1355483211.db2.gz DXOMSONAFUZVLV-HNNXBMFYSA-N -1 3 344.455 3.105 20 30 EGEDHM C=CCCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001073313350 1355712142 /nfs/dbraw/zinc/71/21/42/1355712142.db2.gz CXZJEAMYIIDGBI-KRWDZBQOSA-N -1 3 344.455 3.105 20 30 EGEDHM Cc1nsc(N[C@@H](C)C[C@H](C)NC(=O)c2ccccc2[O-])c1C#N ZINC001089244566 1360278766 /nfs/dbraw/zinc/27/87/66/1360278766.db2.gz PZPJCSKZNOGFRX-QWRGUYRKSA-N -1 3 344.440 3.038 20 30 EGEDHM N#Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)c1 ZINC001185220489 1387655210 /nfs/dbraw/zinc/65/52/10/1387655210.db2.gz AMMJELKLRKRMIR-UHFFFAOYSA-N -1 3 343.339 3.153 20 30 EGEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)Cc2cccc(F)c2F)c1F ZINC001189453513 1367026307 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CCCN(Cc1ccc(C#N)cc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000053799352 453896940 /nfs/dbraw/zinc/89/69/40/453896940.db2.gz VFORCWMZBYVOEA-UHFFFAOYSA-N -1 3 345.402 3.452 20 30 EGEDHM COc1ccccc1-c1nc(NC(=O)[C@@H]2Cc3ccccc3O2)n[n-]1 ZINC000067676533 453954936 /nfs/dbraw/zinc/95/49/36/453954936.db2.gz HNMGKFNZBXTUSC-HNNXBMFYSA-N -1 3 336.351 3.072 20 30 EGEDHM N#Cc1ccc(NCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000068352999 454019568 /nfs/dbraw/zinc/01/95/68/454019568.db2.gz SFAPQEABQQTTGG-UHFFFAOYSA-N -1 3 346.184 3.077 20 30 EGEDHM CCSc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cn1 ZINC000068757949 454050675 /nfs/dbraw/zinc/05/06/75/454050675.db2.gz HRZAKJFZOPZHMM-UHFFFAOYSA-N -1 3 326.385 3.010 20 30 EGEDHM CCSc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cn1 ZINC000068757949 454050680 /nfs/dbraw/zinc/05/06/80/454050680.db2.gz HRZAKJFZOPZHMM-UHFFFAOYSA-N -1 3 326.385 3.010 20 30 EGEDHM CCSc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cn1 ZINC000068757949 454050682 /nfs/dbraw/zinc/05/06/82/454050682.db2.gz HRZAKJFZOPZHMM-UHFFFAOYSA-N -1 3 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EGEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@]1(C#N)CCc2ccccc2C1 ZINC000192844107 455704442 /nfs/dbraw/zinc/70/44/42/455704442.db2.gz FYVKPEIHLUQPFT-SFHVURJKSA-N -1 3 341.361 3.049 20 30 EGEDHM COc1cccc(C(=O)[N-]c2sc3c(c2C#N)CCC3)c1[N+](=O)[O-] ZINC000193812387 455778773 /nfs/dbraw/zinc/77/87/73/455778773.db2.gz KZWNHOHYFAXBSR-UHFFFAOYSA-N -1 3 343.364 3.278 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1[O-] ZINC000269951080 455854669 /nfs/dbraw/zinc/85/46/69/455854669.db2.gz HPRLMAPKSXNUAT-XTYAGZGJSA-N -1 3 340.423 3.175 20 30 EGEDHM COc1ccc(C(F)(F)C(=O)[N-]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000270187517 455897025 /nfs/dbraw/zinc/89/70/25/455897025.db2.gz GYJFLSJPFLCUBP-UHFFFAOYSA-N -1 3 342.345 3.464 20 30 EGEDHM CCOc1nc2ccc(C(=O)N3CCCC(C)(C)[C@H]3C#N)cc2[n-]1 ZINC000332644079 456104494 /nfs/dbraw/zinc/10/44/94/456104494.db2.gz RRRTYWOXOMLCQI-OAHLLOKOSA-N -1 3 326.400 3.116 20 30 EGEDHM CCOc1nc2cc(C(=O)N3CCCC(C)(C)[C@H]3C#N)ccc2[n-]1 ZINC000332644079 456104500 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C#CCOc1ccc(F)cc1NC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000741730416 576715095 /nfs/dbraw/zinc/71/50/95/576715095.db2.gz QQQLLUHLKBOZMP-UHFFFAOYSA-N -1 3 339.326 3.382 20 30 EGEDHM C#CCOc1ccc(F)cc1NC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000741730416 576715097 /nfs/dbraw/zinc/71/50/97/576715097.db2.gz QQQLLUHLKBOZMP-UHFFFAOYSA-N -1 3 339.326 3.382 20 30 EGEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc(C)c(F)c(C)c1 ZINC000743448756 576809437 /nfs/dbraw/zinc/80/94/37/576809437.db2.gz DECOEUIBHHIHFP-UHFFFAOYSA-N -1 3 348.443 3.329 20 30 EGEDHM C=CCC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819735042 607404964 /nfs/dbraw/zinc/40/49/64/607404964.db2.gz ZDGWIDDEBZLSTA-GOSISDBHSA-N -1 3 347.422 3.233 20 30 EGEDHM C=CCC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819735042 607404965 /nfs/dbraw/zinc/40/49/65/607404965.db2.gz ZDGWIDDEBZLSTA-GOSISDBHSA-N -1 3 347.422 3.233 20 30 EGEDHM Cc1ccc2c(c1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CO2 ZINC000822279883 606393009 /nfs/dbraw/zinc/39/30/09/606393009.db2.gz 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C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000130441715 1293656416 /nfs/dbraw/zinc/65/64/16/1293656416.db2.gz WRCKMZIBAOLVHK-RNCFNFMXSA-N -1 3 348.255 3.139 20 30 EGEDHM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000160166046 1294260885 /nfs/dbraw/zinc/26/08/85/1294260885.db2.gz YRJAZJPDWXTXIG-CYBMUJFWSA-N -1 3 327.409 3.229 20 30 EGEDHM N#C[C@H]1COCCN1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000172948566 1294451211 /nfs/dbraw/zinc/45/12/11/1294451211.db2.gz NTTZQFWIUDDKDD-ZDUSSCGKSA-N -1 3 347.212 3.032 20 30 EGEDHM COc1cc(C(=O)/C=C\c2ccc(OC)c(OC)c2OC)ccc1[O-] ZINC000210528022 1296102339 /nfs/dbraw/zinc/10/23/39/1296102339.db2.gz NMTDLFALHMQGOM-YVMONPNESA-N -1 3 344.363 3.323 20 30 EGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc(Cl)s1 ZINC000255494320 1296538241 /nfs/dbraw/zinc/53/82/41/1296538241.db2.gz OGYKGNHZEJDNMQ-VLWUPBBWSA-N -1 3 331.784 3.157 20 30 EGEDHM [O-]c1ccc(Br)cc1C=Nc1cccc(-n2ccnn2)c1 ZINC000255512690 1296541741 /nfs/dbraw/zinc/54/17/41/1296541741.db2.gz MXGMVPYDBJLSHU-UHFFFAOYSA-N -1 3 343.184 3.486 20 30 EGEDHM Cc1ccc([C@@H](C/N=C\c2cc(Cl)ccc2[O-])N2CCOCC2)o1 ZINC000255866373 1296573113 /nfs/dbraw/zinc/57/31/13/1296573113.db2.gz POCYONHGCSSXHC-IWEBCOIVSA-N -1 3 348.830 3.439 20 30 EGEDHM COc1cccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)c1F ZINC000588619158 1298093533 /nfs/dbraw/zinc/09/35/33/1298093533.db2.gz KVMYDMHGJAERKM-FPLPWBNLSA-N -1 3 332.327 3.453 20 30 EGEDHM C=C(C)COc1cc(/C=C2\c3ccccc3C(=O)[N-]C2=O)ccc1OC ZINC000747063432 1298720575 /nfs/dbraw/zinc/72/05/75/1298720575.db2.gz KESTVSVDAZZWAY-LICLKQGHSA-N -1 3 349.386 3.461 20 30 EGEDHM CC(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nn1C ZINC000747108755 1298727820 /nfs/dbraw/zinc/72/78/20/1298727820.db2.gz RLZDQCYJDRSHMW-LLVKDONJSA-N -1 3 344.802 3.158 20 30 EGEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000747108408 1298728025 /nfs/dbraw/zinc/72/80/25/1298728025.db2.gz OQYRCTSERKAQAG-JTQLQIEISA-N -1 3 334.784 3.371 20 30 EGEDHM CCOc1cc(C=NNC(=S)N[C@@H](C)C2CC2)cc(Cl)c1[O-] ZINC000751530268 1299562928 /nfs/dbraw/zinc/56/29/28/1299562928.db2.gz AISYRJBGWCODDK-VIFPVBQESA-N -1 3 341.864 3.041 20 30 EGEDHM C#CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000756976727 1300602583 /nfs/dbraw/zinc/60/25/83/1300602583.db2.gz VNKDQJBALNCOFR-ZDUSSCGKSA-N -1 3 339.338 3.147 20 30 EGEDHM C#CC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1 ZINC000756974149 1300602618 /nfs/dbraw/zinc/60/26/18/1300602618.db2.gz DYCSTYMAYZFFFH-HNNXBMFYSA-N -1 3 339.338 3.147 20 30 EGEDHM COc1ccc(C=NNc2ccc(F)cn2)c(Br)c1[O-] ZINC000761012256 1301381698 /nfs/dbraw/zinc/38/16/98/1301381698.db2.gz MHYFFXGCWNJOMR-UHFFFAOYSA-N -1 3 340.152 3.143 20 30 EGEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cnc1Cl ZINC000767735212 1302753365 /nfs/dbraw/zinc/75/33/65/1302753365.db2.gz RGPBFDXZFQHMPP-UHFFFAOYSA-N -1 3 342.207 3.369 20 30 EGEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])C=CSC ZINC000771581993 1303423180 /nfs/dbraw/zinc/42/31/80/1303423180.db2.gz IDLYYPLFVKOSCD-UMCURTJPSA-N -1 3 338.816 3.181 20 30 EGEDHM N#Cc1cc([O-])cc(C(=O)OCc2coc(-c3cccs3)n2)c1 ZINC000776273926 1304125528 /nfs/dbraw/zinc/12/55/28/1304125528.db2.gz KQNQZUWTPLVZHD-UHFFFAOYSA-N -1 3 326.333 3.337 20 30 EGEDHM CC1(C)C[C@@H](NN=Cc2cc(Br)ccc2[O-])CCO1 ZINC000780250491 1304665442 /nfs/dbraw/zinc/66/54/42/1304665442.db2.gz JJTBZCHLLIJCSU-LBPRGKRZSA-N -1 3 327.222 3.036 20 30 EGEDHM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cc2sccc2c([O-])c1 ZINC000786140417 1305522960 /nfs/dbraw/zinc/52/29/60/1305522960.db2.gz PGVMUUGESITBSQ-LBPRGKRZSA-N -1 3 345.420 3.353 20 30 EGEDHM CC(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000786931305 1305660933 /nfs/dbraw/zinc/66/09/33/1305660933.db2.gz WOBJSPSCUYDZDR-LBPRGKRZSA-N -1 3 330.775 3.079 20 30 EGEDHM [O-]c1ccc(Cl)c(F)c1C=NNc1ccc(C(F)(F)F)nn1 ZINC000790172169 1306272188 /nfs/dbraw/zinc/27/21/88/1306272188.db2.gz LKTGAMDIKVOYBU-UHFFFAOYSA-N -1 3 334.660 3.440 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc2ccccc2s1 ZINC000797826203 1310254079 /nfs/dbraw/zinc/25/40/79/1310254079.db2.gz MPMCHXOJQKZBIH-SECBINFHSA-N -1 3 349.462 3.269 20 30 EGEDHM C[C@@H](NC(=O)C1CCCC1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371058 1317410863 /nfs/dbraw/zinc/41/08/63/1317410863.db2.gz QHBKIXKAHIOJJZ-CQSZACIVSA-N -1 3 340.423 3.253 20 30 EGEDHM CC(=O)Nc1ccc(Cl)c(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901371371 1317411324 /nfs/dbraw/zinc/41/13/24/1317411324.db2.gz ATDBVPWTHMSSRI-UHFFFAOYSA-N -1 3 336.750 3.469 20 30 EGEDHM Cc1c[nH]c(=O)n1-c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901374357 1317412519 /nfs/dbraw/zinc/41/25/19/1317412519.db2.gz IHGIGJDZMYWTHP-UHFFFAOYSA-N -1 3 341.342 3.057 20 30 EGEDHM COc1ccc(OCCCC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901378447 1317413221 /nfs/dbraw/zinc/41/32/21/1317413221.db2.gz HRVFAPHWALZORW-UHFFFAOYSA-N -1 3 333.359 3.411 20 30 EGEDHM COc1cc(C(=O)N([O-])Cc2ccc(F)cc2)ccc1OC(F)F ZINC000901379212 1317413865 /nfs/dbraw/zinc/41/38/65/1317413865.db2.gz RTCQDVMEFHXGQI-UHFFFAOYSA-N -1 3 341.285 3.467 20 30 EGEDHM C#C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(C)(C)C ZINC000808315234 1317659921 /nfs/dbraw/zinc/65/99/21/1317659921.db2.gz YGAUHOGWARZVDH-CYBMUJFWSA-N -1 3 339.233 3.002 20 30 EGEDHM CC#CC[C@H](NCc1cc(Cl)ccc1Br)C(=O)[O-] ZINC000904059477 1317780086 /nfs/dbraw/zinc/78/00/86/1317780086.db2.gz VTLMMIPLZHDNKU-LBPRGKRZSA-N -1 3 330.609 3.059 20 30 EGEDHM COc1cc(Br)ccc1OC(=O)c1cc([O-])cc(C#N)c1 ZINC000813810233 1318634491 /nfs/dbraw/zinc/63/44/91/1318634491.db2.gz IDJILZMQMPKMQE-UHFFFAOYSA-N -1 3 348.152 3.254 20 30 EGEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(-c2ccccc2)ccc1Cl ZINC000816756348 1319216366 /nfs/dbraw/zinc/21/63/66/1319216366.db2.gz VSSNYGFCZICIEV-INIZCTEOSA-N -1 3 344.798 3.117 20 30 EGEDHM COc1cccc(NC(=S)NN=C(C)c2cc(F)ccc2[O-])c1 ZINC000916298870 1319635116 /nfs/dbraw/zinc/63/51/16/1319635116.db2.gz YQRNESIHCCHUTO-UHFFFAOYSA-N -1 3 333.388 3.251 20 30 EGEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cccnc1 ZINC000916901345 1319723899 /nfs/dbraw/zinc/72/38/99/1319723899.db2.gz FSWYWOCGBHOSEN-GFCCVEGCSA-N -1 3 343.770 3.013 20 30 EGEDHM CN(CCC#N)c1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000841799570 1321314779 /nfs/dbraw/zinc/31/47/79/1321314779.db2.gz VEHZVWTWPRTGJY-MRXNPFEDSA-N -1 3 329.425 3.013 20 30 EGEDHM Cc1ccc(-c2cc(C(=O)OCCOc3ccc(C#N)cc3)n[n-]2)o1 ZINC000919329538 1322058618 /nfs/dbraw/zinc/05/86/18/1322058618.db2.gz PETLYJQSURYKBU-UHFFFAOYSA-N -1 3 337.335 3.086 20 30 EGEDHM Cc1ccc(-c2cc(C(=O)OCCOc3ccc(C#N)cc3)[n-]n2)o1 ZINC000919329538 1322058622 /nfs/dbraw/zinc/05/86/22/1322058622.db2.gz PETLYJQSURYKBU-UHFFFAOYSA-N -1 3 337.335 3.086 20 30 EGEDHM CCCOc1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000920383293 1322169921 /nfs/dbraw/zinc/16/99/21/1322169921.db2.gz IPFYIQFMKCZDLO-UHFFFAOYSA-N -1 3 346.452 3.319 20 30 EGEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc(Cl)ccc2OCC#N)n1 ZINC000852147937 1323154484 /nfs/dbraw/zinc/15/44/84/1323154484.db2.gz XTKWGGRRBJSSJN-UHFFFAOYSA-N -1 3 346.818 3.071 20 30 EGEDHM COc1cc(C=NN2CCCC[C@H]2C)cc(Br)c1[O-] ZINC000853380432 1325087819 /nfs/dbraw/zinc/08/78/19/1325087819.db2.gz VZTHMBHXFVGWHJ-SNVBAGLBSA-N -1 3 327.222 3.372 20 30 EGEDHM C=CCCO[N-]C(=O)CCCOc1ccccc1Br ZINC000856030643 1325440712 /nfs/dbraw/zinc/44/07/12/1325440712.db2.gz KWKCLBMTBIFHPK-UHFFFAOYSA-N -1 3 328.206 3.232 20 30 EGEDHM C=C(Cl)C[C@H](NCc1cc(OC)ccc1Br)C(=O)[O-] ZINC000864518448 1329621666 /nfs/dbraw/zinc/62/16/66/1329621666.db2.gz JWYCAQJOGIFSMW-LBPRGKRZSA-N -1 3 348.624 3.143 20 30 EGEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC000942671876 1332019717 /nfs/dbraw/zinc/01/97/17/1332019717.db2.gz DNGQYZKXZZPRMD-OAHLLOKOSA-N -1 3 344.455 3.058 20 30 EGEDHM C[C@@H]1CC[C@@H](NC(=O)c2ccccc2[O-])CN1Cc1cccc(C#N)c1 ZINC001071355947 1354624578 /nfs/dbraw/zinc/62/45/78/1354624578.db2.gz DJNDNPKEPZNPGJ-CRAIPNDOSA-N -1 3 349.434 3.047 20 30 EGEDHM C[C@@H](CCCCNc1ccc(C#N)cn1)NC(=O)c1ccccc1[O-] ZINC001090046942 1360801317 /nfs/dbraw/zinc/80/13/17/1360801317.db2.gz KGOVUTRGQMYKMQ-AWEZNQCLSA-N -1 3 338.411 3.060 20 30 EGEDHM N#Cc1cc(F)c([N-]S(=O)(=O)Cc2cccc(F)c2F)c(F)c1 ZINC001189453870 1367025868 /nfs/dbraw/zinc/02/58/68/1367025868.db2.gz WXCBMSDIFQGQKV-UHFFFAOYSA-N -1 3 344.289 3.057 20 30 EGEDHM CCCCCCCNC(=O)Nc1cc(F)c([O-])cc1C(=O)OC ZINC001191106716 1367424570 /nfs/dbraw/zinc/42/45/70/1367424570.db2.gz MOPMJLOGQTXBAN-UHFFFAOYSA-N -1 3 326.368 3.410 20 30 EGEDHM C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1Br ZINC001193150068 1367953818 /nfs/dbraw/zinc/95/38/18/1367953818.db2.gz UWWFHVKFKNUQRP-SECBINFHSA-N -1 3 345.262 3.400 20 30 EGEDHM O=C(Nc1ccc(F)c([O-])c1)c1ccc(C#CBr)cc1 ZINC001194813095 1368329275 /nfs/dbraw/zinc/32/92/75/1368329275.db2.gz QBVSXXVTXDAGGC-UHFFFAOYSA-N -1 3 334.144 3.488 20 30 EGEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3cc(C(F)(F)F)no3)no2)c1 ZINC001196759861 1368677624 /nfs/dbraw/zinc/67/76/24/1368677624.db2.gz RSFSQMIYOMDKSN-UHFFFAOYSA-N -1 3 348.240 3.472 20 30 EGEDHM COc1ccnc(F)c1C(=O)[N-]c1c(C#N)cccc1C(F)(F)F ZINC001197144888 1368754585 /nfs/dbraw/zinc/75/45/85/1368754585.db2.gz PFEGHOCSMIEHIM-UHFFFAOYSA-N -1 3 339.248 3.372 20 30 EGEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc(Cl)c(C)cn1 ZINC001197280320 1368778336 /nfs/dbraw/zinc/77/83/36/1368778336.db2.gz ONXRMKLERMGCHB-UHFFFAOYSA-N -1 3 335.772 3.016 20 30 EGEDHM N#C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1ccccc1 ZINC001197639354 1368861237 /nfs/dbraw/zinc/86/12/37/1368861237.db2.gz IDJLVPAFDOJYPH-HNNXBMFYSA-N -1 3 338.791 3.163 20 30 EGEDHM N#Cc1cccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1F ZINC001197672509 1368870921 /nfs/dbraw/zinc/87/09/21/1368870921.db2.gz HDYZHUKKBQSHAU-UHFFFAOYSA-N -1 3 342.754 3.432 20 30 EGEDHM C[C@@H](NC(=O)c1ccccc1[O-])[C@@H](C)Nc1cccc(F)c1C#N ZINC001112910310 1369086990 /nfs/dbraw/zinc/08/69/90/1369086990.db2.gz DYTIQSARMLSFFN-VXGBXAGGSA-N -1 3 327.359 3.022 20 30 EGEDHM Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)cc1C#N ZINC001201295019 1369512650 /nfs/dbraw/zinc/51/26/50/1369512650.db2.gz KNFBZEZTEWPRDQ-UHFFFAOYSA-N -1 3 342.207 3.369 20 30 EGEDHM N#C[C@H]([N-]S(=O)(=O)c1cc2c(s1)CCCC2)c1ccccc1 ZINC001187173818 1388064052 /nfs/dbraw/zinc/06/40/52/1388064052.db2.gz LCPRWNXHPOFMLG-AWEZNQCLSA-N -1 3 332.450 3.170 20 30 EGEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1Cc2ccccc2[C@H]1CC ZINC001121636204 1372031563 /nfs/dbraw/zinc/03/15/63/1372031563.db2.gz STKQOKXGXBUZTE-MRXNPFEDSA-N -1 3 348.410 3.098 20 30 EGEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)nn2)cc1 ZINC001122547412 1372272118 /nfs/dbraw/zinc/27/21/18/1372272118.db2.gz RHIYBJQFYQZFBQ-MLGOLLRUSA-N -1 3 336.395 3.260 20 30 EGEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C)nn2)cc1 ZINC001122547410 1372272174 /nfs/dbraw/zinc/27/21/74/1372272174.db2.gz RHIYBJQFYQZFBQ-LRDDRELGSA-N -1 3 336.395 3.260 20 30 EGEDHM N#CC(=C([O-])c1cc(C2CC2)[nH]n1)c1nc2c(cccc2Cl)[nH]1 ZINC001123247113 1372406826 /nfs/dbraw/zinc/40/68/26/1372406826.db2.gz HKAREKDVNQPXKL-SECBINFHSA-N -1 3 325.759 3.307 20 30 EGEDHM CCCCCCCCS(=O)(=O)[N-][C@H]1C(=O)Nc2cccc(C)c21 ZINC001188021094 1388217838 /nfs/dbraw/zinc/21/78/38/1388217838.db2.gz KSUIYMZCDSHXCR-MRXNPFEDSA-N -1 3 338.473 3.268 20 30 EGEDHM COC(=O)c1cc(Cl)c(Cl)c([N-]C(=O)c2ccc(C#N)o2)c1 ZINC001132262889 1375253349 /nfs/dbraw/zinc/25/33/49/1375253349.db2.gz ISMCBRMHZIZHRR-UHFFFAOYSA-N -1 3 339.134 3.497 20 30 EGEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227745289 1375469687 /nfs/dbraw/zinc/46/96/87/1375469687.db2.gz LXVMVTRMESPVLL-NSHDSACASA-N -1 3 333.344 3.136 20 30 EGEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227745289 1375469688 /nfs/dbraw/zinc/46/96/88/1375469688.db2.gz LXVMVTRMESPVLL-NSHDSACASA-N -1 3 333.344 3.136 20 30 EGEDHM N#Cc1ccc([O-])c(Nc2ccc(F)c(C(=O)N3CCCC3)c2)c1 ZINC001188860677 1388393570 /nfs/dbraw/zinc/39/35/70/1388393570.db2.gz BWCCDPPDDKBWGW-UHFFFAOYSA-N -1 3 325.343 3.383 20 30 EGEDHM Cc1cc(OC2CC(C#N)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542377 1375853413 /nfs/dbraw/zinc/85/34/13/1375853413.db2.gz MCLKBAZGIFDDGX-UHFFFAOYSA-N -1 3 333.343 3.157 20 30 EGEDHM 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EGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccnn1-c1ccccc1 ZINC000361655080 457812204 /nfs/dbraw/zinc/81/22/04/457812204.db2.gz NQAIAAUOGADTNS-OAHLLOKOSA-N -1 3 341.374 3.249 20 30 EGEDHM Cc1nc2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2n1C ZINC000361654862 457812778 /nfs/dbraw/zinc/81/27/78/457812778.db2.gz MOTOYIDEDZILNP-CYBMUJFWSA-N -1 3 329.363 3.248 20 30 EGEDHM CC(C)(C#N)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000361676407 457817564 /nfs/dbraw/zinc/81/75/64/457817564.db2.gz XRHXICVQSJDKAF-INIZCTEOSA-N -1 3 347.422 3.296 20 30 EGEDHM C=CCN(Cc1ccc(OC)cc1)[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000411175472 457820044 /nfs/dbraw/zinc/82/00/44/457820044.db2.gz DLNUMBUAWUNRKC-AWEZNQCLSA-N -1 3 329.400 3.007 20 30 EGEDHM C[C@H](C#N)S(=O)(=O)[N-]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000416478070 458347981 /nfs/dbraw/zinc/34/79/81/458347981.db2.gz YFYJHPRSVBMMKU-SECBINFHSA-N -1 3 333.240 3.204 20 30 EGEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000417628232 458366842 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CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000421160497 458408260 /nfs/dbraw/zinc/40/82/60/458408260.db2.gz YHYRYCKODJGOFQ-MRXNPFEDSA-N -1 3 338.473 3.291 20 30 EGEDHM C=CCN1CCC(Nc2c(C(=O)[O-])cnc3c(OC)cccc32)CC1 ZINC000516773021 458822306 /nfs/dbraw/zinc/82/23/06/458822306.db2.gz LJZWUTUZWYLVJX-UHFFFAOYSA-N -1 3 341.411 3.004 20 30 EGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000556796055 459011257 /nfs/dbraw/zinc/01/12/57/459011257.db2.gz CDFLRZPKMPYORO-SECBINFHSA-N -1 3 340.754 3.329 20 30 EGEDHM CC(=O)c1cccc(NC(=O)CSc2ccc(C#N)cc2)c1[O-] ZINC000577978917 459127051 /nfs/dbraw/zinc/12/70/51/459127051.db2.gz RUTOKYCBSMSNJC-UHFFFAOYSA-N -1 3 326.377 3.197 20 30 EGEDHM N#C[C@@H](c1ccccc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000595350638 459281884 /nfs/dbraw/zinc/28/18/84/459281884.db2.gz GLVQSPRFILIEDC-SFHVURJKSA-N -1 3 335.407 3.308 20 30 EGEDHM C=C[C@@H]1CCCCN1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000482128073 459292291 /nfs/dbraw/zinc/29/22/91/459292291.db2.gz 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ZINC000427262763 268260017 /nfs/dbraw/zinc/26/00/17/268260017.db2.gz MEXMXPNXMUEZJW-UHFFFAOYSA-N -1 3 346.717 3.430 20 30 EGEDHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000350831769 278282795 /nfs/dbraw/zinc/28/27/95/278282795.db2.gz NDZRPXMCKVALOV-NSHDSACASA-N -1 3 346.374 3.434 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1scnc1C1CC1 ZINC000534956540 314008672 /nfs/dbraw/zinc/00/86/72/314008672.db2.gz PKHYFTKTFISEST-UHFFFAOYSA-N -1 3 342.424 3.181 20 30 EGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](C1CCCC1)C(F)(F)F ZINC000544666643 314710165 /nfs/dbraw/zinc/71/01/65/314710165.db2.gz PMWFUBHOAXLANI-CQSZACIVSA-N -1 3 346.374 3.266 20 30 EGEDHM COc1ccccc1[C@H](CC(C)C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553487060 315266386 /nfs/dbraw/zinc/26/63/86/315266386.db2.gz UZTXRAHJGJPBCB-HNNXBMFYSA-N -1 3 348.424 3.226 20 30 EGEDHM CC(C)c1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)CC2 ZINC000561526871 315768410 /nfs/dbraw/zinc/76/84/10/315768410.db2.gz AYOVYDVCIZEYIJ-INIZCTEOSA-N -1 3 330.409 3.240 20 30 EGEDHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Cl)cc1CC#N ZINC000421168287 458408454 /nfs/dbraw/zinc/40/84/54/458408454.db2.gz XUUGIJDKRXMVBK-CQSZACIVSA-N -1 3 344.864 3.209 20 30 EGEDHM N#CC(=C([O-])c1ccnc(OC2CCC2)c1)c1nc2ccccc2[nH]1 ZINC000180774563 455243471 /nfs/dbraw/zinc/24/34/71/455243471.db2.gz DPTFLVKATKKESH-AWEZNQCLSA-N -1 3 332.363 3.379 20 30 EGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)CCc1c(F)cccc1F ZINC000600668765 460562168 /nfs/dbraw/zinc/56/21/68/460562168.db2.gz VCXBYKIYECNTJF-UHFFFAOYSA-N -1 3 344.427 3.289 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)c1cccs1 ZINC000024538806 453737174 /nfs/dbraw/zinc/73/71/74/453737174.db2.gz YDVWAGJBFQVHHV-ZDUSSCGKSA-N -1 3 343.452 3.077 20 30 EGEDHM COc1ccccc1-c1nc(NC(=O)Cc2ccccc2F)n[n-]1 ZINC000052778708 453844495 /nfs/dbraw/zinc/84/44/95/453844495.db2.gz RTGVVWOGZRHXCO-UHFFFAOYSA-N -1 3 326.331 3.450 20 30 EGEDHM COc1ccc2[nH]cc(CC(=O)Nc3nnc(C(F)(F)F)[n-]3)c2c1 ZINC000075938468 453940296 /nfs/dbraw/zinc/94/02/96/453940296.db2.gz AVHAKXDHFTXDII-UHFFFAOYSA-N -1 3 339.277 3.144 20 30 EGEDHM COc1ccc2[nH]cc(CC(=O)Nc3nc(C(F)(F)F)n[n-]3)c2c1 ZINC000075938468 453940300 /nfs/dbraw/zinc/94/03/00/453940300.db2.gz AVHAKXDHFTXDII-UHFFFAOYSA-N -1 3 339.277 3.144 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2csc(Br)c2)nc(C)n1 ZINC000041560385 453971979 /nfs/dbraw/zinc/97/19/79/453971979.db2.gz JMCAECKGTLNWDT-SNVBAGLBSA-N -1 3 336.214 3.408 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(Nc3ncccn3)c2)nc(C)n1 ZINC000041560433 453972177 /nfs/dbraw/zinc/97/21/77/453972177.db2.gz GXYZQBHFZDAOBH-MRXNPFEDSA-N -1 3 344.378 3.117 20 30 EGEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc(Oc2cnccn2)c1 ZINC000076589610 454018701 /nfs/dbraw/zinc/01/87/01/454018701.db2.gz ATYRRBBBHWZPSW-UHFFFAOYSA-N -1 3 348.322 3.283 20 30 EGEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc(Oc2cnccn2)c1 ZINC000076589610 454018703 /nfs/dbraw/zinc/01/87/03/454018703.db2.gz ATYRRBBBHWZPSW-UHFFFAOYSA-N -1 3 348.322 3.283 20 30 EGEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(Oc2cnccn2)c1 ZINC000076589610 454018707 /nfs/dbraw/zinc/01/87/07/454018707.db2.gz ATYRRBBBHWZPSW-UHFFFAOYSA-N -1 3 348.322 3.283 20 30 EGEDHM CSc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c2ccccn12 ZINC000076764685 454034827 /nfs/dbraw/zinc/03/48/27/454034827.db2.gz UOGQQCXVQDVRLY-LLVKDONJSA-N -1 3 347.403 3.423 20 30 EGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000182008061 455415465 /nfs/dbraw/zinc/41/54/65/455415465.db2.gz CBHOJEQXPQSJSO-HZMBPMFUSA-N -1 3 330.812 3.230 20 30 EGEDHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000077966306 454172325 /nfs/dbraw/zinc/17/23/25/454172325.db2.gz CDBNSVHPAOVZLQ-UHFFFAOYSA-N -1 3 329.425 3.042 20 30 EGEDHM N#CC(=C([O-])c1cncc(Br)c1)c1nc2ccccc2[nH]1 ZINC000046440765 454252183 /nfs/dbraw/zinc/25/21/83/454252183.db2.gz AWKDRNSDKYGLLL-LLVKDONJSA-N -1 3 341.168 3.210 20 30 EGEDHM Cc1sc2[n-]c(CN(C)CC#N)nc(=O)c2c1-c1ccc(C)cc1 ZINC000120766042 454343922 /nfs/dbraw/zinc/34/39/22/454343922.db2.gz YIDSTGLEAPFMNR-UHFFFAOYSA-N -1 3 338.436 3.224 20 30 EGEDHM COc1cccc(CO[C@H](C)C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000079034250 454359160 /nfs/dbraw/zinc/35/91/60/454359160.db2.gz NLWNMRASPRYTGV-LLVKDONJSA-N -1 3 342.355 3.267 20 30 EGEDHM COc1cccc(CO[C@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000079034250 454359164 /nfs/dbraw/zinc/35/91/64/454359164.db2.gz NLWNMRASPRYTGV-LLVKDONJSA-N -1 3 342.355 3.267 20 30 EGEDHM COc1cccc(CO[C@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000079034250 454359170 /nfs/dbraw/zinc/35/91/70/454359170.db2.gz NLWNMRASPRYTGV-LLVKDONJSA-N -1 3 342.355 3.267 20 30 EGEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1SCCc2ccccc21 ZINC000079700714 454466203 /nfs/dbraw/zinc/46/62/03/454466203.db2.gz ZDAUCLCUQQSKLU-SECBINFHSA-N -1 3 328.319 3.442 20 30 EGEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1SCCc2ccccc21 ZINC000079700714 454466206 /nfs/dbraw/zinc/46/62/06/454466206.db2.gz ZDAUCLCUQQSKLU-SECBINFHSA-N -1 3 328.319 3.442 20 30 EGEDHM Cc1cccc([C@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000121890970 454489957 /nfs/dbraw/zinc/48/99/57/454489957.db2.gz UUMABDJJCWEEMB-HNNXBMFYSA-N -1 3 338.407 3.409 20 30 EGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000092353433 454555419 /nfs/dbraw/zinc/55/54/19/454555419.db2.gz GQSMIOAOERZNRR-UHFFFAOYSA-N -1 3 334.363 3.245 20 30 EGEDHM N#CCCSc1ccccc1[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000108201419 454789537 /nfs/dbraw/zinc/78/95/37/454789537.db2.gz GGVLEZOJGXHBCQ-UHFFFAOYSA-N -1 3 331.422 3.105 20 30 EGEDHM N#Cc1cccc(OCCCCC(=O)[N-]OCCC(F)(F)F)c1 ZINC000162794652 454801017 /nfs/dbraw/zinc/80/10/17/454801017.db2.gz JLFVQAQCEKYWKW-UHFFFAOYSA-N -1 3 330.306 3.108 20 30 EGEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000108981564 454818321 /nfs/dbraw/zinc/81/83/21/454818321.db2.gz TYAHYTNMWTZNFW-SNVBAGLBSA-N -1 3 345.449 3.494 20 30 EGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163646440 454860158 /nfs/dbraw/zinc/86/01/58/454860158.db2.gz BCFDDTGMXVNPMG-UHFFFAOYSA-N -1 3 339.370 3.301 20 30 EGEDHM CCC(CC)(CC)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000150890354 454908684 /nfs/dbraw/zinc/90/86/84/454908684.db2.gz PRMOWOYLBZGKGU-UHFFFAOYSA-N -1 3 331.460 3.129 20 30 EGEDHM COc1cc(/C=C/C(=O)Nc2cccc([O-])c2F)ccc1OCC#N ZINC000128980699 455093588 /nfs/dbraw/zinc/09/35/88/455093588.db2.gz YWGKXTDHZILKHX-SOFGYWHQSA-N -1 3 342.326 3.094 20 30 EGEDHM COc1ccc(C(C)(C)C/N=C/c2ccc(O)c([O-])c2O)cc1OC ZINC000264355438 455198351 /nfs/dbraw/zinc/19/83/51/455198351.db2.gz IDSWHTDNSJYLHP-KEBDBYFISA-N -1 3 345.395 3.217 20 30 EGEDHM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(C)C ZINC000157609703 455212310 /nfs/dbraw/zinc/21/23/10/455212310.db2.gz QXGRJYOSTFNDGK-MRXNPFEDSA-N -1 3 347.415 3.076 20 30 EGEDHM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cn1 ZINC000181516647 455348013 /nfs/dbraw/zinc/34/80/13/455348013.db2.gz OIWBUAVEFGWMAQ-KRWDZBQOSA-N -1 3 346.390 3.407 20 30 EGEDHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000182009611 455414895 /nfs/dbraw/zinc/41/48/95/455414895.db2.gz YKEYMEHYWOHOES-IAQYHMDHSA-N -1 3 342.848 3.099 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cc1 ZINC000191226448 455467354 /nfs/dbraw/zinc/46/73/54/455467354.db2.gz LSHNDKHYYUXQSX-UHFFFAOYSA-N -1 3 346.795 3.141 20 30 EGEDHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CCC#N)c1ccccc1 ZINC000185331854 455541449 /nfs/dbraw/zinc/54/14/49/455541449.db2.gz TUPOSTGJRJVXTH-MRXNPFEDSA-N -1 3 332.400 3.458 20 30 EGEDHM CCOCCOc1cc(C)ccc1C/N=C/c1ccc(O)c([O-])c1O ZINC000267907929 455563501 /nfs/dbraw/zinc/56/35/01/455563501.db2.gz BCOVBKGNTWSTHC-UDWIEESQSA-N -1 3 345.395 3.146 20 30 EGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000186424049 455765724 /nfs/dbraw/zinc/76/57/24/455765724.db2.gz PKROJKICOQIEQK-JTQLQIEISA-N -1 3 341.483 3.151 20 30 EGEDHM COc1ccc(C[C@H](C)C/N=C/c2ccc(O)c([O-])c2O)cc1OC ZINC000270666182 456010111 /nfs/dbraw/zinc/01/01/11/456010111.db2.gz QACUOTBIMKUYBZ-DQAKUKQTSA-N -1 3 345.395 3.118 20 30 EGEDHM O=C(CCCC/N=C/c1ccc(O)c([O-])c1O)OCc1ccccc1 ZINC000273014058 456145382 /nfs/dbraw/zinc/14/53/82/456145382.db2.gz WASLFKGEGSLFSV-UDWIEESQSA-N -1 3 343.379 3.136 20 30 EGEDHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2[nH]1 ZINC000340152955 456282755 /nfs/dbraw/zinc/28/27/55/456282755.db2.gz NTUABSZIOYPIEN-UHFFFAOYSA-N -1 3 346.799 3.197 20 30 EGEDHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2[nH]1 ZINC000340152955 456282761 /nfs/dbraw/zinc/28/27/61/456282761.db2.gz NTUABSZIOYPIEN-UHFFFAOYSA-N -1 3 346.799 3.197 20 30 EGEDHM C=CC[C@@H](CC)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000281811054 456328163 /nfs/dbraw/zinc/32/81/63/456328163.db2.gz IKSAXJCOIXBTAR-LLVKDONJSA-N -1 3 327.222 3.309 20 30 EGEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)c1OC ZINC000347888852 456424291 /nfs/dbraw/zinc/42/42/91/456424291.db2.gz QDDOBLHFCOVZLT-AWEZNQCLSA-N -1 3 347.374 3.446 20 30 EGEDHM Cc1ncc(CO)c(/C=N/CCCCOCCc2ccccc2)c1[O-] ZINC000298769004 456536278 /nfs/dbraw/zinc/53/62/78/456536278.db2.gz HBEGEKMCDUNWST-KGENOOAVSA-N -1 3 342.439 3.046 20 30 EGEDHM C=CCn1c(=O)[n-]nc1SCC(=O)c1ccc(OCCCC)cc1 ZINC000340697382 456633858 /nfs/dbraw/zinc/63/38/58/456633858.db2.gz TXQGQWCXOYUOJM-UHFFFAOYSA-N -1 3 347.440 3.324 20 30 EGEDHM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1nnc(-c3ccccn3)[n-]1)O2 ZINC000328588803 456714735 /nfs/dbraw/zinc/71/47/35/456714735.db2.gz QLOODWFITHXTBM-HNNXBMFYSA-N -1 3 335.367 3.157 20 30 EGEDHM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1nc(-c3ccccn3)n[n-]1)O2 ZINC000328588803 456714737 /nfs/dbraw/zinc/71/47/37/456714737.db2.gz QLOODWFITHXTBM-HNNXBMFYSA-N -1 3 335.367 3.157 20 30 EGEDHM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1n[n-]c(-c3ccccn3)n1)O2 ZINC000328588803 456714739 /nfs/dbraw/zinc/71/47/39/456714739.db2.gz QLOODWFITHXTBM-HNNXBMFYSA-N -1 3 335.367 3.157 20 30 EGEDHM CC(C)(C)n1ncnc1C/N=C/c1cc(Br)ccc1[O-] ZINC000283754252 456834947 /nfs/dbraw/zinc/83/49/47/456834947.db2.gz GQDNLKWZUMDUAA-FRKPEAEDSA-N -1 3 337.221 3.120 20 30 EGEDHM COc1ccc(CN(C)CC(C)(C)C#N)c(Br)c1[O-] ZINC000354017148 457012842 /nfs/dbraw/zinc/01/28/42/457012842.db2.gz 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/nfs/dbraw/zinc/68/84/51/576688451.db2.gz GUDJTSGNQCQFSJ-UHFFFAOYSA-N -1 3 329.352 3.005 20 30 EGEDHM COc1cccc([O-])c1C=Nc1ccc(OC)c(N2CCOC2=O)c1 ZINC000743045364 576800622 /nfs/dbraw/zinc/80/06/22/576800622.db2.gz HFPRHEWJNWJGPZ-UHFFFAOYSA-N -1 3 342.351 3.117 20 30 EGEDHM CCC(Cc1cccs1)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743449385 576809459 /nfs/dbraw/zinc/80/94/59/576809459.db2.gz UUHSEQMNJXZDBB-UHFFFAOYSA-N -1 3 336.482 3.219 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCC#Cc1ccccc1 ZINC000744187240 576822558 /nfs/dbraw/zinc/82/25/58/576822558.db2.gz MQMPKJRGQDTBDT-UHFFFAOYSA-N -1 3 348.402 3.193 20 30 EGEDHM CCO[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2)C12CCCC2 ZINC000821351854 599337408 /nfs/dbraw/zinc/33/74/08/599337408.db2.gz VQNYGVZRCXOLIM-OAHLLOKOSA-N -1 3 326.404 3.004 20 30 EGEDHM CCO[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C12CCCC2 ZINC000821351854 599337409 /nfs/dbraw/zinc/33/74/09/599337409.db2.gz VQNYGVZRCXOLIM-OAHLLOKOSA-N -1 3 326.404 3.004 20 30 EGEDHM O=C(C=Cc1cncc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000822935833 607455369 /nfs/dbraw/zinc/45/53/69/607455369.db2.gz OSLJKEAWTCGOCA-MDZDMXLPSA-N -1 3 327.347 3.311 20 30 EGEDHM O=C(C=Cc1cncc2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000822935833 607455370 /nfs/dbraw/zinc/45/53/70/607455370.db2.gz OSLJKEAWTCGOCA-MDZDMXLPSA-N -1 3 327.347 3.311 20 30 EGEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NN=c1[nH]c2ccccc2s1 ZINC000822739700 607462173 /nfs/dbraw/zinc/46/21/73/607462173.db2.gz BYNGQECQLWWGKF-UHFFFAOYSA-N -1 3 339.359 3.062 20 30 EGEDHM Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(C)c1OCC(=O)[O-] ZINC000832882874 600762658 /nfs/dbraw/zinc/76/26/58/600762658.db2.gz NJXUKEGAOMAKLV-HNNXBMFYSA-N -1 3 338.407 3.489 20 30 EGEDHM Fc1cc(OCC#Cc2cccc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000822754031 607466834 /nfs/dbraw/zinc/46/68/34/607466834.db2.gz WLOYZYFIHXZVCR-UHFFFAOYSA-N -1 3 328.734 3.090 20 30 EGEDHM Fc1cc(OCC#Cc2cccc(Cl)c2)ccc1-c1nn[n-]n1 ZINC000822754031 607466837 /nfs/dbraw/zinc/46/68/37/607466837.db2.gz WLOYZYFIHXZVCR-UHFFFAOYSA-N -1 3 328.734 3.090 20 30 EGEDHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000832226410 601300764 /nfs/dbraw/zinc/30/07/64/601300764.db2.gz NJZYDRJKBYWMSD-XIKOKIGWSA-N -1 3 340.379 3.052 20 30 EGEDHM Clc1ccccc1C#CCSc1ccc(-c2nnn[n-]2)cn1 ZINC000826353396 607544923 /nfs/dbraw/zinc/54/49/23/607544923.db2.gz NKFFAZWTFCFORM-UHFFFAOYSA-N -1 3 327.800 3.059 20 30 EGEDHM Clc1ccccc1C#CCSc1ccc(-c2nn[n-]n2)cn1 ZINC000826353396 607544925 /nfs/dbraw/zinc/54/49/25/607544925.db2.gz NKFFAZWTFCFORM-UHFFFAOYSA-N -1 3 327.800 3.059 20 30 EGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1coc2ccccc12 ZINC000823953796 607654304 /nfs/dbraw/zinc/65/43/04/607654304.db2.gz QLKASRHELDNORJ-UHFFFAOYSA-N -1 3 332.367 3.127 20 30 EGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1coc2ccccc12 ZINC000823953796 607654306 /nfs/dbraw/zinc/65/43/06/607654306.db2.gz QLKASRHELDNORJ-UHFFFAOYSA-N -1 3 332.367 3.127 20 30 EGEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CO2 ZINC000822195347 606306016 /nfs/dbraw/zinc/30/60/16/606306016.db2.gz PKJFFYOGLPFVJY-WZUFQYTHSA-N -1 3 338.392 3.204 20 30 EGEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CO2 ZINC000822195347 606306018 /nfs/dbraw/zinc/30/60/18/606306018.db2.gz PKJFFYOGLPFVJY-WZUFQYTHSA-N -1 3 338.392 3.204 20 30 EGEDHM CCN(C)c1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821165841 606307077 /nfs/dbraw/zinc/30/70/77/606307077.db2.gz XAGVDDTWOPARJJ-HJWRWDBZSA-N -1 3 339.424 3.280 20 30 EGEDHM CCN(C)c1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821165841 606307078 /nfs/dbraw/zinc/30/70/78/606307078.db2.gz XAGVDDTWOPARJJ-HJWRWDBZSA-N -1 3 339.424 3.280 20 30 EGEDHM C=C[C@@H](CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823883008 608005905 /nfs/dbraw/zinc/00/59/05/608005905.db2.gz IIWKUSWUBLKMPU-LBPRGKRZSA-N -1 3 337.358 3.304 20 30 EGEDHM C=C[C@@H](CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823883008 608005906 /nfs/dbraw/zinc/00/59/06/608005906.db2.gz IIWKUSWUBLKMPU-LBPRGKRZSA-N -1 3 337.358 3.304 20 30 EGEDHM COc1cc(C#N)ccc1CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826176707 608321323 /nfs/dbraw/zinc/32/13/23/608321323.db2.gz ACLBLTSYTMHIDH-UHFFFAOYSA-N -1 3 340.774 3.012 20 30 EGEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(F)c(F)c1 ZINC000823953553 608539640 /nfs/dbraw/zinc/53/96/40/608539640.db2.gz GKYGVXKCRVAKNV-UHFFFAOYSA-N -1 3 349.732 3.029 20 30 EGEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)c(F)c1 ZINC000823953553 608539642 /nfs/dbraw/zinc/53/96/42/608539642.db2.gz GKYGVXKCRVAKNV-UHFFFAOYSA-N -1 3 349.732 3.029 20 30 EGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)cc(F)c1 ZINC000826400851 608880125 /nfs/dbraw/zinc/88/01/25/608880125.db2.gz JTYKQLSRFZFYGT-RQOWECAXSA-N -1 3 330.269 3.180 20 30 EGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)cc(F)c1 ZINC000826400851 608880126 /nfs/dbraw/zinc/88/01/26/608880126.db2.gz JTYKQLSRFZFYGT-RQOWECAXSA-N -1 3 330.269 3.180 20 30 EGEDHM CC(=NNc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958552 609273642 /nfs/dbraw/zinc/27/36/42/609273642.db2.gz QILUXANZLRLFJL-UHFFFAOYSA-N -1 3 330.754 3.495 20 30 EGEDHM CC(=NNc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958552 609273643 /nfs/dbraw/zinc/27/36/43/609273643.db2.gz QILUXANZLRLFJL-UHFFFAOYSA-N -1 3 330.754 3.495 20 30 EGEDHM O=C1c2ccc(F)cc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475849 609372718 /nfs/dbraw/zinc/37/27/18/609372718.db2.gz SQKHAISZZYLNFR-UKTHLTGXSA-N -1 3 336.326 3.055 20 30 EGEDHM O=C1c2ccc(F)cc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475849 609372720 /nfs/dbraw/zinc/37/27/20/609372720.db2.gz SQKHAISZZYLNFR-UKTHLTGXSA-N -1 3 336.326 3.055 20 30 EGEDHM CCCN1c2ccc(C)cc2C(=N[N-]c2ccc(Cl)nn2)C1=O ZINC000872328445 1296915492 /nfs/dbraw/zinc/91/54/92/1296915492.db2.gz SMQTWGNUWCULAG-UHFFFAOYSA-N -1 3 329.791 3.011 20 30 EGEDHM CC[C@@H]1CCCC[C@H]1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000072702948 1292287479 /nfs/dbraw/zinc/28/74/79/1292287479.db2.gz AHACLNZAFPREQC-RHSMWYFYSA-N -1 3 330.428 3.308 20 30 EGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3cccn3)c(F)c2)n1 ZINC000103795886 1293014206 /nfs/dbraw/zinc/01/42/06/1293014206.db2.gz KETAPSXZTHMACU-LBPRGKRZSA-N -1 3 326.356 3.266 20 30 EGEDHM CCCc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)sc1C ZINC000126412964 1293533639 /nfs/dbraw/zinc/53/36/39/1293533639.db2.gz DRTKOOXQVFPXNP-ZDUSSCGKSA-N -1 3 327.409 3.365 20 30 EGEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000140308126 1293850246 /nfs/dbraw/zinc/85/02/46/1293850246.db2.gz OPICFVJOVGVQEW-CYBMUJFWSA-N -1 3 327.409 3.284 20 30 EGEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ccn2ccnc2c1 ZINC000177694512 1294688126 /nfs/dbraw/zinc/68/81/26/1294688126.db2.gz NFNVYPDFMMTDAH-LICLKQGHSA-N -1 3 330.185 3.422 20 30 EGEDHM COc1cc(C=Nn2cnc3ccccc32)cc(Br)c1[O-] ZINC000725849308 1298373210 /nfs/dbraw/zinc/37/32/10/1298373210.db2.gz DASYGECIQZNEHQ-UHFFFAOYSA-N -1 3 346.184 3.395 20 30 EGEDHM Cc1ncc(CO)c(C=NOc2ccccc2C(F)(F)F)c1[O-] ZINC000754712741 1300197094 /nfs/dbraw/zinc/19/70/94/1300197094.db2.gz RPRZHPCVHBZXCO-UHFFFAOYSA-N -1 3 326.274 3.020 20 30 EGEDHM Cc1ccc(C/N=C\c2c([O-])c(C)ncc2CO)c(OCC2CC2)c1 ZINC000755032600 1300270644 /nfs/dbraw/zinc/27/06/44/1300270644.db2.gz YTDROAQHTWGNKZ-FBHDLOMBSA-N -1 3 340.423 3.304 20 30 EGEDHM [O-]c1ccc(C=NN2C(=S)N=NC2c2ccccc2F)cc1F ZINC000755545723 1300356613 /nfs/dbraw/zinc/35/66/13/1300356613.db2.gz KZCOHKUHPRSSOJ-UHFFFAOYSA-N -1 3 332.335 3.100 20 30 EGEDHM N#Cc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC000756346290 1300472984 /nfs/dbraw/zinc/47/29/84/1300472984.db2.gz BNRMDYVWQHUOPX-OAHLLOKOSA-N -1 3 334.297 3.493 20 30 EGEDHM COc1ccc(C=NO[C@@H]2CCCCO2)c(Br)c1[O-] ZINC000761013725 1301381901 /nfs/dbraw/zinc/38/19/01/1301381901.db2.gz TVHQDEUOCWISNW-LLVKDONJSA-N -1 3 330.178 3.040 20 30 EGEDHM CCc1cccc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1[O-] ZINC000762303791 1301654124 /nfs/dbraw/zinc/65/41/24/1301654124.db2.gz RFKRZTLCQCVZII-GOSISDBHSA-N -1 3 336.391 3.040 20 30 EGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCc2ccc(Cl)cc21 ZINC000762448635 1301680287 /nfs/dbraw/zinc/68/02/87/1301680287.db2.gz JXLNDLYMUYIWOT-UHFFFAOYSA-N -1 3 334.828 3.110 20 30 EGEDHM COc1cc(C(=O)/C=C/c2cccc3c2OCCO3)c(OC)cc1[O-] ZINC000763106510 1301825367 /nfs/dbraw/zinc/82/53/67/1301825367.db2.gz VTPZMPVBFUMXCN-VOTSOKGWSA-N -1 3 342.347 3.077 20 30 EGEDHM CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766028854 1302373500 /nfs/dbraw/zinc/37/35/00/1302373500.db2.gz IEAVCEJYBWLWSM-BETUJISGSA-N -1 3 341.242 3.283 20 30 EGEDHM [O-]c1c(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc(Cl)c2ccccc12 ZINC000774584725 1303831735 /nfs/dbraw/zinc/83/17/35/1303831735.db2.gz APHIAHAAIICHOX-IYBDPMFKSA-N -1 3 342.830 3.393 20 30 EGEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)ccc1C#N ZINC000775050942 1303895060 /nfs/dbraw/zinc/89/50/60/1303895060.db2.gz KCWILOMFWLFIGH-UHFFFAOYSA-N -1 3 329.425 3.042 20 30 EGEDHM Fc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cn1 ZINC000777428907 1304294359 /nfs/dbraw/zinc/29/43/59/1304294359.db2.gz FZWCKLAWYDRJCB-UHFFFAOYSA-N -1 3 345.428 3.275 20 30 EGEDHM Cn1nc2c(c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1)CCCC2 ZINC000893062184 1305684954 /nfs/dbraw/zinc/68/49/54/1305684954.db2.gz LGOXUKOSUPMERL-LBPRGKRZSA-N -1 3 348.328 3.203 20 30 EGEDHM CC(N=Nc1nnc(-c2ccccn2)s1)c1ccc(F)cc1[O-] ZINC000788031313 1305851110 /nfs/dbraw/zinc/85/11/10/1305851110.db2.gz XUVDUWAKCNQIQM-UHFFFAOYSA-N -1 3 329.360 3.281 20 30 EGEDHM CCOc1cc(C=NN[C@@H](CO)c2ccccc2)cc(Cl)c1[O-] ZINC000788469679 1305949086 /nfs/dbraw/zinc/94/90/86/1305949086.db2.gz RKNGLVMQQVOPKM-HNNXBMFYSA-N -1 3 334.803 3.101 20 30 EGEDHM CN1c2ccc(C(=O)N([O-])Cc3ccc(F)cc3)cc2C(C)(C)C1=O ZINC000901373284 1317412627 /nfs/dbraw/zinc/41/26/27/1317412627.db2.gz WAERBPZEGKJPFM-UHFFFAOYSA-N -1 3 342.370 3.111 20 30 EGEDHM CC(=O)N[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccc(C)cc1 ZINC000901376160 1317413138 /nfs/dbraw/zinc/41/31/38/1317413138.db2.gz PMFACQDSKXLISC-SFHVURJKSA-N -1 3 344.386 3.119 20 30 EGEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000904173352 1317802744 /nfs/dbraw/zinc/80/27/44/1317802744.db2.gz KTWLUTIDRPESEO-NEPJUHHUSA-N -1 3 340.395 3.093 20 30 EGEDHM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904187553 1317807553 /nfs/dbraw/zinc/80/75/53/1317807553.db2.gz ONKFFHJNMUWFIR-AWEZNQCLSA-N -1 3 338.835 3.095 20 30 EGEDHM CCCCN([O-])C(=O)Cn1c2ccccc2nc1-c1scnc1C ZINC000904210243 1317811559 /nfs/dbraw/zinc/81/15/59/1317811559.db2.gz JBRUSESONPAWQA-UHFFFAOYSA-N -1 3 344.440 3.486 20 30 EGEDHM CCCCN([O-])C(=O)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC000904209968 1317811685 /nfs/dbraw/zinc/81/16/85/1317811685.db2.gz CAGCURHVGFIGMM-UHFFFAOYSA-N -1 3 344.749 3.490 20 30 EGEDHM C#Cc1ccccc1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000810481075 1318011915 /nfs/dbraw/zinc/01/19/15/1318011915.db2.gz NOQMFXMBVSZLSH-UHFFFAOYSA-N -1 3 330.181 3.317 20 30 EGEDHM CN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C1(C#N)CCC1 ZINC000906393601 1318093574 /nfs/dbraw/zinc/09/35/74/1318093574.db2.gz LIQFBRBBCBNFFW-UHFFFAOYSA-N -1 3 336.417 3.008 20 30 EGEDHM N#Cc1ccc(COC(=O)c2cc([O-])cc(C#N)c2)c(OC(F)F)c1 ZINC000811188115 1318120471 /nfs/dbraw/zinc/12/04/71/1318120471.db2.gz WFNLLRHLSVPGJW-UHFFFAOYSA-N -1 3 344.273 3.094 20 30 EGEDHM [O-]c1c(O)ccc(C=Nc2cccc(OC[C@H]3CCCO3)c2)c1O ZINC000913143558 1318977418 /nfs/dbraw/zinc/97/74/18/1318977418.db2.gz HRFVINKDFIRJIE-OAHLLOKOSA-N -1 3 329.352 3.112 20 30 EGEDHM C=CCC(F)(F)C(=O)[N-][C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000816649577 1319200678 /nfs/dbraw/zinc/20/06/78/1319200678.db2.gz CSLJPSMDERVGCV-OAHLLOKOSA-N -1 3 345.773 3.446 20 30 EGEDHM CC(=NNc1ccc(S(C)(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000914835568 1319386337 /nfs/dbraw/zinc/38/63/37/1319386337.db2.gz LASBGLOBQGTPRR-UHFFFAOYSA-N -1 3 338.816 3.285 20 30 EGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cnc(N2CCCC2)nc1 ZINC000915987539 1319579418 /nfs/dbraw/zinc/57/94/18/1319579418.db2.gz GQWMKSRDKLOAQY-LFTLCWSBSA-N -1 3 339.370 3.305 20 30 EGEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000916244591 1319624435 /nfs/dbraw/zinc/62/44/35/1319624435.db2.gz RTRRQFJBACBKIZ-UHFFFAOYSA-N -1 3 335.454 3.028 20 30 EGEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=C[C@@H]1CC=CCC1 ZINC000916320893 1319639127 /nfs/dbraw/zinc/63/91/27/1319639127.db2.gz NOTWYSHQXUZRKQ-IUODEOHRSA-N -1 3 342.424 3.270 20 30 EGEDHM Cc1noc(C)c1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000916368653 1319645448 /nfs/dbraw/zinc/64/54/48/1319645448.db2.gz MFDUHVPXTLYMIC-UHFFFAOYSA-N -1 3 345.453 3.346 20 30 EGEDHM CCOc1cccc2cc(C(C)=N[N-]c3[nH+]cnc4[n-]cnc43)oc21 ZINC000917554713 1319835813 /nfs/dbraw/zinc/83/58/13/1319835813.db2.gz DSMGXBUOPXXUGS-UHFFFAOYSA-N -1 3 336.355 3.334 20 30 EGEDHM CC(=O)N(c1ccc(N=Cc2ccc(O)c([O-])c2O)cc1)[C@H]1C[C@@H]1C ZINC000840707507 1321131605 /nfs/dbraw/zinc/13/16/05/1321131605.db2.gz VWPMXZTUGVUITA-ZBEGNZNMSA-N -1 3 340.379 3.315 20 30 EGEDHM CN1C(=O)C[C@H](C/N=C/c2cc(Cl)ccc2[O-])[C@H]1c1cccnc1 ZINC000843267220 1321495421 /nfs/dbraw/zinc/49/54/21/1321495421.db2.gz XLLYKTLFEULPRE-HDOQABGESA-N -1 3 343.814 3.079 20 30 EGEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(Br)c2C)c1[O-] ZINC000846756715 1321805002 /nfs/dbraw/zinc/80/50/02/1321805002.db2.gz KWFNYRNCLYBDFS-LSCVHKIXSA-N -1 3 349.228 3.278 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)CC(C)(C)C#N ZINC000851212245 1323001406 /nfs/dbraw/zinc/00/14/06/1323001406.db2.gz HQUYOANRHHYSSD-NSHDSACASA-N -1 3 329.400 3.080 20 30 EGEDHM C=CCCO[N-]C(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000856033018 1325440723 /nfs/dbraw/zinc/44/07/23/1325440723.db2.gz WHDUHHIBFRJAKU-AWEZNQCLSA-N -1 3 340.464 3.284 20 30 EGEDHM CCCC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1cc(C)sc1C ZINC000863094059 1329528283 /nfs/dbraw/zinc/52/82/83/1329528283.db2.gz BYJZWXKXHSCGGH-UHFFFAOYSA-N -1 3 344.444 3.364 20 30 EGEDHM C=C(Cl)C[C@H](NCc1ccc(OC)cc1Br)C(=O)[O-] ZINC000864519404 1329621913 /nfs/dbraw/zinc/62/19/13/1329621913.db2.gz OBEDTICQKFJNTR-LBPRGKRZSA-N -1 3 348.624 3.143 20 30 EGEDHM C=CCCC(=O)N1CCC(CN(CC)C(=O)c2ccccc2[O-])CC1 ZINC001081060359 1357804507 /nfs/dbraw/zinc/80/45/07/1357804507.db2.gz CBJAIFJACXNAIP-UHFFFAOYSA-N -1 3 344.455 3.059 20 30 EGEDHM C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001081892927 1357888969 /nfs/dbraw/zinc/88/89/69/1357888969.db2.gz SWDBSZTZDICUQF-MGPUTAFESA-N -1 3 344.455 3.105 20 30 EGEDHM C=C(C)CNC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185937187 1387830506 /nfs/dbraw/zinc/83/05/06/1387830506.db2.gz QQDOSNMRNJUFJQ-UHFFFAOYSA-N -1 3 332.444 3.155 20 30 EGEDHM N#CC1([N-]S(=O)(=O)Cc2cccc(F)c2F)CCCCCC1 ZINC001189468517 1367030556 /nfs/dbraw/zinc/03/05/56/1367030556.db2.gz MZBATHPFHJADMT-UHFFFAOYSA-N -1 3 328.384 3.001 20 30 EGEDHM O=C1c2ccccc2C([N-]S(=O)(=O)CCCF)=C1c1ccccc1 ZINC001189931599 1367135234 /nfs/dbraw/zinc/13/52/34/1367135234.db2.gz CWKKVXFQHNSPFY-UHFFFAOYSA-N -1 3 345.395 3.030 20 30 EGEDHM C=C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1 ZINC001190419733 1367260312 /nfs/dbraw/zinc/26/03/12/1367260312.db2.gz IZUYEUIKPUNACD-CYBMUJFWSA-N -1 3 327.327 3.310 20 30 EGEDHM C=CCC1(S(=O)(=O)Nc2ccc([O-])c(Br)c2)CC1 ZINC001190805249 1367354408 /nfs/dbraw/zinc/35/44/08/1367354408.db2.gz 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MEMHLABRSDPSOT-UHFFFAOYSA-N -1 3 335.454 3.492 20 30 EGEDHM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000595360422 459283979 /nfs/dbraw/zinc/28/39/79/459283979.db2.gz BELQGWJRXMLHGV-ZDUSSCGKSA-N -1 3 332.347 3.044 20 30 EGEDHM CC(C)c1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccn1 ZINC000534691346 459347532 /nfs/dbraw/zinc/34/75/32/459347532.db2.gz MSEXDCWVVHFENX-AWEZNQCLSA-N -1 3 331.379 3.276 20 30 EGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000537182389 459364505 /nfs/dbraw/zinc/36/45/05/459364505.db2.gz KRXNIXYSSKCGMB-SNVBAGLBSA-N -1 3 332.809 3.271 20 30 EGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000537182388 459364662 /nfs/dbraw/zinc/36/46/62/459364662.db2.gz KRXNIXYSSKCGMB-JTQLQIEISA-N -1 3 332.809 3.271 20 30 EGEDHM N#CC(=C([O-])c1cnc2ccsc2c1)c1nnc2n1CCCCC2 ZINC000525284058 459441277 /nfs/dbraw/zinc/44/12/77/459441277.db2.gz PGAGOVSREWQUHK-GFCCVEGCSA-N -1 3 337.408 3.104 20 30 EGEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000570328227 459554803 /nfs/dbraw/zinc/55/48/03/459554803.db2.gz HUPRHRPFFUZZMG-LBPRGKRZSA-N -1 3 335.256 3.351 20 30 EGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489878645 459572320 /nfs/dbraw/zinc/57/23/20/459572320.db2.gz YENQXKUGSZERAI-VIFPVBQESA-N -1 3 341.326 3.357 20 30 EGEDHM CC(=O)c1cccc(NC(=O)C=Cc2ccc(OCC#N)cc2)c1[O-] ZINC000492994147 459729384 /nfs/dbraw/zinc/72/93/84/459729384.db2.gz JXENIBIYGFUJLH-JXMROGBWSA-N -1 3 336.347 3.149 20 30 EGEDHM N#CC(=C([O-])c1cnc2n1CCCC2)c1cc(C(F)(F)F)ccn1 ZINC000563937644 459769453 /nfs/dbraw/zinc/76/94/53/459769453.db2.gz VXASLEQSIIUIKM-LLVKDONJSA-N -1 3 334.301 3.123 20 30 EGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000544708719 459779359 /nfs/dbraw/zinc/77/93/59/459779359.db2.gz XPSMQNNZBDUTEJ-SNVBAGLBSA-N -1 3 348.262 3.091 20 30 EGEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000610081273 460059647 /nfs/dbraw/zinc/05/96/47/460059647.db2.gz NQMUEUWWUTUQSA-AWEZNQCLSA-N -1 3 332.400 3.169 20 30 EGEDHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cccc(C#N)n3)s2)c1 ZINC000589421961 460084900 /nfs/dbraw/zinc/08/49/00/460084900.db2.gz IEQKBQAUNGOLMO-UHFFFAOYSA-N -1 3 335.392 3.341 20 30 EGEDHM C[C@@H](NCCCC#N)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000599045457 460137816 /nfs/dbraw/zinc/13/78/16/460137816.db2.gz QVNICNQCINMFRO-OAHLLOKOSA-N -1 3 343.452 3.442 20 30 EGEDHM C=CC[C@@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000597998840 460140957 /nfs/dbraw/zinc/14/09/57/460140957.db2.gz QLBHPZOVFHKPHL-OAHLLOKOSA-N -1 3 327.428 3.023 20 30 EGEDHM N#C[C@@]1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCSC1 ZINC000610467606 460157180 /nfs/dbraw/zinc/15/71/80/460157180.db2.gz MCZWABLSSHYGMI-SFHVURJKSA-N -1 3 340.404 3.314 20 30 EGEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cn(C2CC2)nn1 ZINC000599390610 460244801 /nfs/dbraw/zinc/24/48/01/460244801.db2.gz NKARVFRTWVHKPP-LLVKDONJSA-N -1 3 327.413 3.117 20 30 EGEDHM CCC(C#N)=C([O-])N=c1[nH][nH]c(C)c1-c1ccc(Br)cc1 ZINC000603202554 460263190 /nfs/dbraw/zinc/26/31/90/460263190.db2.gz KTRXBCYRUPXYDE-SNVBAGLBSA-N -1 3 347.216 3.058 20 30 EGEDHM Cc1cccc(C(=O)N[C@@H](C#N)c2ccccc2Br)c1[O-] ZINC000611280830 460327788 /nfs/dbraw/zinc/32/77/88/460327788.db2.gz VYFUOOPLWRKTGZ-AWEZNQCLSA-N -1 3 345.196 3.458 20 30 EGEDHM CCCOc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619463673 460363285 /nfs/dbraw/zinc/36/32/85/460363285.db2.gz MOIFRGVDJDZRJP-UHFFFAOYSA-N -1 3 330.409 3.342 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccsc1 ZINC000619757927 460433376 /nfs/dbraw/zinc/43/33/76/460433376.db2.gz OEHVHCPOPYTANK-LLVKDONJSA-N -1 3 329.425 3.147 20 30 EGEDHM N#Cc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC000617345453 460821718 /nfs/dbraw/zinc/82/17/18/460821718.db2.gz SQZBNOUFTQQJCX-OAHLLOKOSA-N -1 3 345.196 3.236 20 30 EGEDHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C#N)C(C)C)c1Cl ZINC000613267335 460888408 /nfs/dbraw/zinc/88/84/08/460888408.db2.gz DVRKBCJECAWCNB-NSHDSACASA-N -1 3 335.256 3.437 20 30 EGEDHM CCC1(CC)CC(=O)N(c2ccc(C#N)cc2C(F)(F)F)[N-]C1=O ZINC000601948030 460957428 /nfs/dbraw/zinc/95/74/28/460957428.db2.gz IIURGCPXSNPEMR-UHFFFAOYSA-N -1 3 339.317 3.151 20 30 EGEDHM C=CCC1(NC(=O)c2cc([O-])cc(Br)c2)CCOCC1 ZINC000628080335 460995184 /nfs/dbraw/zinc/99/51/84/460995184.db2.gz SIHGNVKVNPKGLH-UHFFFAOYSA-N -1 3 340.217 3.010 20 30 EGEDHM CCC#C[C@H](C)Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000657285175 462017479 /nfs/dbraw/zinc/01/74/79/462017479.db2.gz YACAGGDHEJPQTI-ZDUSSCGKSA-N -1 3 338.436 3.474 20 30 EGEDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000183667754 534092706 /nfs/dbraw/zinc/09/27/06/534092706.db2.gz SVSCSBLYRIGXOT-NEPJUHHUSA-N -1 3 344.889 3.164 20 30 EGEDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000175278976 535713303 /nfs/dbraw/zinc/71/33/03/535713303.db2.gz OUMCAQWNTDALAL-QWHCGFSZSA-N -1 3 344.889 3.164 20 30 EGEDHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)[N-]c1n[nH]c(C2CCC2)n1 ZINC000329143351 547490308 /nfs/dbraw/zinc/49/03/08/547490308.db2.gz VORKOMDEAROTPM-LLVKDONJSA-N -1 3 347.444 3.367 20 30 EGEDHM C[C@]1(C#N)CCCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000672952871 548509676 /nfs/dbraw/zinc/50/96/76/548509676.db2.gz YTEQHJCVVNHEQN-OAQYLSRUSA-N -1 3 348.402 3.389 20 30 EGEDHM C=CCc1cc(CNCc2cccc(C(=O)[O-])c2)cc(OC)c1O ZINC000683170640 550199504 /nfs/dbraw/zinc/19/95/04/550199504.db2.gz UPBLIBSLSFOFLG-UHFFFAOYSA-N -1 3 327.380 3.117 20 30 EGEDHM CCOc1ccc(C=NNc2ccc(Br)nc2)c([O-])c1 ZINC000732711735 575283975 /nfs/dbraw/zinc/28/39/75/575283975.db2.gz IJVLGMQLNGWGSD-UHFFFAOYSA-N -1 3 336.189 3.394 20 30 EGEDHM CCOc1ccc(/C=N/C[C@@](C)(O)c2ccc(F)cc2F)c([O-])c1 ZINC000733903109 575407881 /nfs/dbraw/zinc/40/78/81/575407881.db2.gz HNOQWUQRNYAMSY-VMHWHBCQSA-N -1 3 335.350 3.396 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc2ccccc2s1 ZINC000734156994 575448903 /nfs/dbraw/zinc/44/89/03/575448903.db2.gz YRVVPZGGGYLRMR-NSHDSACASA-N -1 3 343.433 3.207 20 30 EGEDHM C=CC[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1ccncc1 ZINC000734459547 575494547 /nfs/dbraw/zinc/49/45/47/575494547.db2.gz JCNPILQSYODMBH-MRXNPFEDSA-N -1 3 346.333 3.299 20 30 EGEDHM COc1cccc([O-])c1/C=N\C[C@@H](O)c1cccc(OC(C)C)c1 ZINC000734980302 575583118 /nfs/dbraw/zinc/58/31/18/575583118.db2.gz YWVLRJFYJFAWCI-HDOAHBKWSA-N -1 3 329.396 3.341 20 30 EGEDHM CC(C)OC(=O)NCc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000734978935 575583146 /nfs/dbraw/zinc/58/31/46/575583146.db2.gz GAFFXUAPRIHWEK-UHFFFAOYSA-N -1 3 344.367 3.189 20 30 EGEDHM COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737082507 576107522 /nfs/dbraw/zinc/10/75/22/576107522.db2.gz WJSGUMQJPHSJDW-WAPJZHGLSA-N -1 3 340.770 3.425 20 30 EGEDHM COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000737082507 576107526 /nfs/dbraw/zinc/10/75/26/576107526.db2.gz WJSGUMQJPHSJDW-WAPJZHGLSA-N -1 3 340.770 3.425 20 30 EGEDHM FC(F)(F)c1cc(NN=Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737632010 576256864 /nfs/dbraw/zinc/25/68/64/576256864.db2.gz HUSVEDTYGIYITB-UHFFFAOYSA-N -1 3 332.289 3.332 20 30 EGEDHM FC(F)(F)c1cc(NN=Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737632010 576256865 /nfs/dbraw/zinc/25/68/65/576256865.db2.gz HUSVEDTYGIYITB-UHFFFAOYSA-N -1 3 332.289 3.332 20 30 EGEDHM FC(F)(F)c1cc(NN=Cc2ccsc2)ccc1-c1nnn[n-]1 ZINC000737630988 576256964 /nfs/dbraw/zinc/25/69/64/576256964.db2.gz ANDDNEPQODRRAT-UHFFFAOYSA-N -1 3 338.318 3.393 20 30 EGEDHM FC(F)(F)c1cc(NN=Cc2ccsc2)ccc1-c1nn[n-]n1 ZINC000737630988 576256968 /nfs/dbraw/zinc/25/69/68/576256968.db2.gz ANDDNEPQODRRAT-UHFFFAOYSA-N -1 3 338.318 3.393 20 30 EGEDHM O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737800190 576263470 /nfs/dbraw/zinc/26/34/70/576263470.db2.gz YQROUSDANAPKOG-ZHACJKMWSA-N -1 3 342.362 3.153 20 30 EGEDHM O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737800190 576263473 /nfs/dbraw/zinc/26/34/73/576263473.db2.gz YQROUSDANAPKOG-ZHACJKMWSA-N -1 3 342.362 3.153 20 30 EGEDHM CC(CCc1cccc(C)c1)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448408 576809332 /nfs/dbraw/zinc/80/93/32/576809332.db2.gz NNZLBZSMVFMILJ-UHFFFAOYSA-N -1 3 344.480 3.466 20 30 EGEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCSc2ccccc21 ZINC000743449398 576809448 /nfs/dbraw/zinc/80/94/48/576809448.db2.gz VKCBANBPXZEFMG-UHFFFAOYSA-N -1 3 346.477 3.049 20 30 EGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1C(C)(C)C1(C)C ZINC000819742862 599698133 /nfs/dbraw/zinc/69/81/33/599698133.db2.gz AXJSPYQEPASAJE-UHFFFAOYSA-N -1 3 339.443 3.064 20 30 EGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1C(C)(C)C1(C)C ZINC000819742862 599698134 /nfs/dbraw/zinc/69/81/34/599698134.db2.gz AXJSPYQEPASAJE-UHFFFAOYSA-N -1 3 339.443 3.064 20 30 EGEDHM COc1ccc([C@@H](C)C(C)N=Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821777880 606166380 /nfs/dbraw/zinc/16/63/80/606166380.db2.gz NLWXWVPZEAOQOS-LBPRGKRZSA-N -1 3 336.399 3.467 20 30 EGEDHM COc1ccc([C@@H](C)C(C)N=Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821777880 606166382 /nfs/dbraw/zinc/16/63/82/606166382.db2.gz NLWXWVPZEAOQOS-LBPRGKRZSA-N -1 3 336.399 3.467 20 30 EGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(OC(F)F)cc1 ZINC000822922171 606302897 /nfs/dbraw/zinc/30/28/97/606302897.db2.gz COAAEXZKGKIBGL-WAYWQWQTSA-N -1 3 348.334 3.426 20 30 EGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(OC(F)F)cc1 ZINC000822922171 606302899 /nfs/dbraw/zinc/30/28/99/606302899.db2.gz COAAEXZKGKIBGL-WAYWQWQTSA-N -1 3 348.334 3.426 20 30 EGEDHM C=C(C)COc1cccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819722567 606546519 /nfs/dbraw/zinc/54/65/19/606546519.db2.gz NANAGLFGCRCYEP-UHFFFAOYSA-N -1 3 349.394 3.003 20 30 EGEDHM C=C(C)COc1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819722567 606546522 /nfs/dbraw/zinc/54/65/22/606546522.db2.gz NANAGLFGCRCYEP-UHFFFAOYSA-N -1 3 349.394 3.003 20 30 EGEDHM C#CC[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823838991 607936391 /nfs/dbraw/zinc/93/63/91/607936391.db2.gz XWNHERKNPYDINO-HNNXBMFYSA-N -1 3 325.322 3.321 20 30 EGEDHM C#CC[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823838991 607936392 /nfs/dbraw/zinc/93/63/92/607936392.db2.gz XWNHERKNPYDINO-HNNXBMFYSA-N -1 3 325.322 3.321 20 30 EGEDHM Cc1oc2ccccc2c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826342552 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Cc1cc(C)c(-c2nnn[n-]2)c(SCc2cccc(C#N)c2F)n1 ZINC000826262920 608669511 /nfs/dbraw/zinc/66/95/11/608669511.db2.gz CWTFWUFVHZVSKT-UHFFFAOYSA-N -1 3 340.387 3.182 20 30 EGEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2cccc(C#N)c2F)n1 ZINC000826262920 608669512 /nfs/dbraw/zinc/66/95/12/608669512.db2.gz CWTFWUFVHZVSKT-UHFFFAOYSA-N -1 3 340.387 3.182 20 30 EGEDHM O=C1c2ccccc2OCCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475453 608881506 /nfs/dbraw/zinc/88/15/06/608881506.db2.gz GKEKQOPBHCRAKG-FMIVXFBMSA-N -1 3 336.326 3.055 20 30 EGEDHM O=C1c2ccccc2OCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475453 608881507 /nfs/dbraw/zinc/88/15/07/608881507.db2.gz GKEKQOPBHCRAKG-FMIVXFBMSA-N -1 3 336.326 3.055 20 30 EGEDHM N#Cc1cc(NCc2cccc(-c3nn[n-]n3)c2F)ccc1Cl ZINC000826384382 609477118 /nfs/dbraw/zinc/47/71/18/609477118.db2.gz SNBZTZHUUONKIR-UHFFFAOYSA-N -1 3 328.738 3.143 20 30 EGEDHM N#Cc1cc(NCc2cccc(-c3nnn[n-]3)c2F)ccc1Cl ZINC000826384382 609477116 /nfs/dbraw/zinc/47/71/16/609477116.db2.gz SNBZTZHUUONKIR-UHFFFAOYSA-N -1 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EGEDHM O=C(COc1cccc(Cl)c1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053524342 453884500 /nfs/dbraw/zinc/88/45/00/453884500.db2.gz ZFIKYUFYSSQJOR-UHFFFAOYSA-N -1 3 329.747 3.187 20 30 EGEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000045571896 454167590 /nfs/dbraw/zinc/16/75/90/454167590.db2.gz JQLYVECYRUTZLU-ZETCQYMHSA-N -1 3 346.696 3.316 20 30 EGEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000045571896 454167594 /nfs/dbraw/zinc/16/75/94/454167594.db2.gz JQLYVECYRUTZLU-ZETCQYMHSA-N -1 3 346.696 3.316 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1ccccc1)C(C)C ZINC000059339881 454256865 /nfs/dbraw/zinc/25/68/65/454256865.db2.gz KSZGRLXEDCDAQR-UHFFFAOYSA-N -1 3 337.423 3.238 20 30 EGEDHM Cc1nc(-c2ccc(NCc3cc(C#N)ccc3F)nc2)[n-]c(=O)c1C ZINC000078474832 454258838 /nfs/dbraw/zinc/25/88/38/454258838.db2.gz ZQYASDGDGHHZEG-UHFFFAOYSA-N -1 3 349.369 3.072 20 30 EGEDHM Cc1nn(C)c(C)c1-c1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)n[n-]1 ZINC000079014817 454355395 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Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1-c1ccccc1C ZINC000049407078 454547276 /nfs/dbraw/zinc/54/72/76/454547276.db2.gz MYJHDMUHWXHNPH-INIZCTEOSA-N -1 3 345.406 3.386 20 30 EGEDHM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1-c1ccccc1 ZINC000049405436 454547485 /nfs/dbraw/zinc/54/74/85/454547485.db2.gz FQOJNABCDITHCC-MRXNPFEDSA-N -1 3 331.379 3.078 20 30 EGEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1Cc1ccccc1 ZINC000126528013 454900469 /nfs/dbraw/zinc/90/04/69/454900469.db2.gz SZLOYOICKJXAFB-MRXNPFEDSA-N -1 3 330.391 3.379 20 30 EGEDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3c(cc2C#N)CCCC3)n1 ZINC000151357009 454973772 /nfs/dbraw/zinc/97/37/72/454973772.db2.gz BMBDAUREQHGNIO-LLVKDONJSA-N -1 3 326.425 3.489 20 30 EGEDHM COc1cc(/C=C/C(=O)Nc2cc(F)ccc2[O-])ccc1OCC#N ZINC000179648613 455064508 /nfs/dbraw/zinc/06/45/08/455064508.db2.gz XSDTUUNFWMZORM-XVNBXDOJSA-N -1 3 342.326 3.094 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](CC(C)C)C1 ZINC000152044576 455065555 /nfs/dbraw/zinc/06/55/55/455065555.db2.gz 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455489088 /nfs/dbraw/zinc/48/90/88/455489088.db2.gz HNHJLCVBUWTTJN-UHFFFAOYSA-N -1 3 329.429 3.291 20 30 EGEDHM C=CCCCS(=O)(=O)[N-][C@@H](c1ccco1)c1ccccc1OC ZINC000292767000 455752401 /nfs/dbraw/zinc/75/24/01/455752401.db2.gz XEQXBLQJIKPCOW-QGZVFWFLSA-N -1 3 335.425 3.263 20 30 EGEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)c(C)c1 ZINC000193360242 455754405 /nfs/dbraw/zinc/75/44/05/455754405.db2.gz QPDYZBVDMWYOMT-UHFFFAOYSA-N -1 3 330.409 3.261 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCOc3cc(F)ccc32)c1[O-] ZINC000271937391 455799692 /nfs/dbraw/zinc/79/96/92/455799692.db2.gz NKSZCQLGXNMGFM-BCUFPXHISA-N -1 3 330.359 3.060 20 30 EGEDHM CCCOc1ccc(/C=N/[C@H]2CCCN(c3ccnn3C)C2)c([O-])c1 ZINC000278269325 455802496 /nfs/dbraw/zinc/80/24/96/455802496.db2.gz YKBXAJSLIMNGCE-UOEVCUDDSA-N -1 3 342.443 3.002 20 30 EGEDHM CC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(OC)c(OC)c1 ZINC000285359092 455830288 /nfs/dbraw/zinc/83/02/88/455830288.db2.gz NIVZVDBYDXACMO-CTJICSLTSA-N -1 3 344.411 3.175 20 30 EGEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)s1 ZINC000287071067 456060409 /nfs/dbraw/zinc/06/04/09/456060409.db2.gz XNKGTHSOFYVQRW-VIFPVBQESA-N -1 3 330.818 3.296 20 30 EGEDHM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000188606702 456095296 /nfs/dbraw/zinc/09/52/96/456095296.db2.gz NABJLOGJJQVQBM-IBGZPJMESA-N -1 3 349.434 3.000 20 30 EGEDHM CN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000332642422 456104182 /nfs/dbraw/zinc/10/41/82/456104182.db2.gz YVPANJSJAMEWRQ-UHFFFAOYSA-N -1 3 336.391 3.250 20 30 EGEDHM CN1CCC(N(Cc2ccccc2)C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188759790 456129110 /nfs/dbraw/zinc/12/91/10/456129110.db2.gz DHUNRLPHLGBEHV-UHFFFAOYSA-N -1 3 349.434 3.000 20 30 EGEDHM CC(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3cnccn3)sc2C1 ZINC000297773004 456291881 /nfs/dbraw/zinc/29/18/81/456291881.db2.gz MWTGOHPMEFDDGS-NSHDSACASA-N -1 3 326.425 3.423 20 30 EGEDHM C=C[C@@H](C(=O)[O-])N1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000629365541 460732164 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Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(C(F)(F)F)cn1 ZINC000338187125 456692427 /nfs/dbraw/zinc/69/24/27/456692427.db2.gz HANVKMIXPZNBCD-LLVKDONJSA-N -1 3 344.296 3.477 20 30 EGEDHM COc1cncc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)n1 ZINC000277296906 456765637 /nfs/dbraw/zinc/76/56/37/456765637.db2.gz ROPKLFPXZIXANY-LLVKDONJSA-N -1 3 328.397 3.132 20 30 EGEDHM Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000328937267 456795754 /nfs/dbraw/zinc/79/57/54/456795754.db2.gz JUSJNWCDMQHQMZ-QLFBSQMISA-N -1 3 345.399 3.284 20 30 EGEDHM CCOc1nc2cc(C(=O)N[C@H](C#N)C3CCCCC3)ccc2[n-]1 ZINC000346439245 457042677 /nfs/dbraw/zinc/04/26/77/457042677.db2.gz UVIGCVUKALTIHE-MRXNPFEDSA-N -1 3 326.400 3.164 20 30 EGEDHM CCOc1nc2ccc(C(=O)N[C@H](C#N)C3CCCCC3)cc2[n-]1 ZINC000346439245 457042685 /nfs/dbraw/zinc/04/26/85/457042685.db2.gz UVIGCVUKALTIHE-MRXNPFEDSA-N -1 3 326.400 3.164 20 30 EGEDHM COCc1nocc1C(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000362761367 457082878 /nfs/dbraw/zinc/08/28/78/457082878.db2.gz 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EGEDHM C=CCO[N-]C(=O)[C@@H]1CCCC[C@@H]1C(=O)N1c2ccccc2C[C@@H]1C ZINC000837047016 1320568692 /nfs/dbraw/zinc/56/86/92/1320568692.db2.gz UVWPKBYFGXQQFH-UAGQMJEPSA-N -1 3 342.439 3.004 20 30 EGEDHM CC(=O)N(c1ccc(N=Cc2ccc(O)c([O-])c2O)cc1)[C@@H]1C[C@H]1C ZINC000840707503 1321131627 /nfs/dbraw/zinc/13/16/27/1321131627.db2.gz VWPMXZTUGVUITA-BDJLRTHQSA-N -1 3 340.379 3.315 20 30 EGEDHM COc1cc(C(=O)/C=C/c2ccnn2CC(C)C)c(OC)cc1[O-] ZINC000843269276 1321496533 /nfs/dbraw/zinc/49/65/33/1321496533.db2.gz MNWBSSCYXHAYTK-AATRIKPKSA-N -1 3 330.384 3.158 20 30 EGEDHM Cn1ncc(C2CC2)c1C/N=C/c1cc(Br)ccc1[O-] ZINC000849172716 1322093921 /nfs/dbraw/zinc/09/39/21/1322093921.db2.gz YOPGTVGDHRLPOP-REZTVBANSA-N -1 3 334.217 3.385 20 30 EGEDHM COc1c(Cl)cc(Cl)cc1C=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000921257965 1322281287 /nfs/dbraw/zinc/28/12/87/1322281287.db2.gz CBXIFRYTIBOIOX-UHFFFAOYSA-N -1 3 337.170 3.114 20 30 EGEDHM CCc1cc2c(CN3CCC[C@H](CC#N)C3)cc(=O)oc2cc1[O-] ZINC000852319475 1323178433 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C[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CN1CC#Cc1ccccc1 ZINC001071355767 1354624560 /nfs/dbraw/zinc/62/45/60/1354624560.db2.gz AMFLKNCMZQMSDD-HKUYNNGSSA-N -1 3 348.446 3.027 20 30 EGEDHM N#Cc1ccc(NCCCCCCNC(=O)c2ccccc2[O-])cn1 ZINC001094926999 1361947334 /nfs/dbraw/zinc/94/73/34/1361947334.db2.gz MUUVMHYAYFNOCP-UHFFFAOYSA-N -1 3 338.411 3.061 20 30 EGEDHM C=CCC(F)(F)C(=O)[N-][C@H](Cc1ccccc1Cl)C(=O)OCC ZINC001324265135 1387574795 /nfs/dbraw/zinc/57/47/95/1387574795.db2.gz BCNVURVFFDZEJX-CYBMUJFWSA-N -1 3 345.773 3.142 20 30 EGEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCCc3cc(F)ccc32)c1 ZINC001190676960 1367327009 /nfs/dbraw/zinc/32/70/09/1367327009.db2.gz GBYNTFDKPLBFPS-INIZCTEOSA-N -1 3 348.374 3.192 20 30 EGEDHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(C#N)o2)c([O-])c1 ZINC001192683983 1367849321 /nfs/dbraw/zinc/84/93/21/1367849321.db2.gz NYJSYELNLVEUJD-UHFFFAOYSA-N -1 3 328.324 3.064 20 30 EGEDHM N#Cc1nc2ccc(NC(=O)c3cnc(C(F)(F)F)[n-]3)cc2s1 ZINC001194782049 1368321710 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N#Cc1cnc(Nc2ccc([O-])c(F)c2F)c(Br)c1 ZINC001212000021 1372645085 /nfs/dbraw/zinc/64/50/85/1372645085.db2.gz HXRVNALQSFBNQE-UHFFFAOYSA-N -1 3 326.100 3.443 20 30 EGEDHM CC1(C)Oc2cc([O-])cc(O[C@H](C#N)c3ccccc3F)c2C(=O)O1 ZINC001228080149 1375515678 /nfs/dbraw/zinc/51/56/78/1375515678.db2.gz UKTYJEFQNBRRSG-OAHLLOKOSA-N -1 3 343.310 3.460 20 30 EGEDHM N#Cc1cc(NC(=O)c2cc([O-])cc(O)c2)ccc1N1CCCCC1 ZINC001148516754 1379200143 /nfs/dbraw/zinc/20/01/43/1379200143.db2.gz SSOSTRHVLJUBCW-UHFFFAOYSA-N -1 3 337.379 3.212 20 30 EGEDHM Cc1cc(C)n2ncc(C(=O)[N-]c3c(C#N)oc4ccccc43)c2n1 ZINC001149578446 1379407378 /nfs/dbraw/zinc/40/73/78/1379407378.db2.gz FMZNGRHJNZCIJK-UHFFFAOYSA-N -1 3 331.335 3.216 20 30 EGEDHM Cc1ccc2ncc([O-])c(C(=O)N3CCc4cc(C#N)ccc4C3)c2c1 ZINC001154529507 1380298835 /nfs/dbraw/zinc/29/88/35/1380298835.db2.gz LSHFNTFZZWAQFO-UHFFFAOYSA-N -1 3 343.386 3.319 20 30 EGEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC[C@@H]2c2ccccn2)n1 ZINC001156027579 1380514436 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CC(C)=CC[C@H](NCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC001336928732 1389213055 /nfs/dbraw/zinc/21/30/55/1389213055.db2.gz PLBRVPXUILVCPR-AWEZNQCLSA-N -1 3 337.217 3.220 20 30 EGEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(Cc1ccccc1)C(C)C ZINC001342197814 1390584461 /nfs/dbraw/zinc/58/44/61/1390584461.db2.gz MOHQOYKJYMLNSF-UHFFFAOYSA-N -1 3 339.399 3.240 20 30 EGEDHM CCCc1c(C([O-])=C(C#N)c2nccn2C)cnn1-c1cccc(C)c1 ZINC001342268738 1390593785 /nfs/dbraw/zinc/59/37/85/1390593785.db2.gz QGIAFFYIMLOLCQ-INIZCTEOSA-N -1 3 347.422 3.357 20 30 EGEDHM Cn1nc(C2CC2)cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC001343677272 1390730468 /nfs/dbraw/zinc/73/04/68/1390730468.db2.gz GCUDTUDFNRPKAW-LLVKDONJSA-N -1 3 334.301 3.201 20 30 EGEDHM CCc1c(C([O-])=C(C#N)c2nccn2CC)cnn1-c1ccc(C)cc1 ZINC001344875133 1390821109 /nfs/dbraw/zinc/82/11/09/1390821109.db2.gz KSFFTLGISJLJSJ-MRXNPFEDSA-N -1 3 347.422 3.450 20 30 EGEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(C(C)C)nc2onc(C)c21 ZINC001346095781 1390907049 /nfs/dbraw/zinc/90/70/49/1390907049.db2.gz IZJHIMCVDCZDGR-ZDUSSCGKSA-N -1 3 337.383 3.361 20 30 EGEDHM C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824530423 1425347139 /nfs/dbraw/zinc/34/71/39/1425347139.db2.gz LGAFAPUPJIIHNQ-NEPJUHHUSA-N -1 3 336.374 3.289 20 30 EGEDHM C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824530423 1425347144 /nfs/dbraw/zinc/34/71/44/1425347144.db2.gz LGAFAPUPJIIHNQ-NEPJUHHUSA-N -1 3 336.374 3.289 20 30 EGEDHM C=C(C)CCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccccc1[O-] ZINC001757397198 1441097205 /nfs/dbraw/zinc/09/72/05/1441097205.db2.gz KEAHRBSVKMBGRS-CVEARBPZSA-N -1 3 344.455 3.105 20 30 EGEDHM C[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(C#N)cc1 ZINC000824528790 1447013637 /nfs/dbraw/zinc/01/36/37/1447013637.db2.gz CEMRCMRCNURVHP-VXGBXAGGSA-N -1 3 336.374 3.289 20 30 EGEDHM C[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(C#N)cc1 ZINC000824528790 1447013640 /nfs/dbraw/zinc/01/36/40/1447013640.db2.gz CEMRCMRCNURVHP-VXGBXAGGSA-N -1 3 336.374 3.289 20 30 EGEDHM C=CCCC[C@H](NC(=O)c1cc(-c2nnn[n-]2)ccn1)c1ccccc1 ZINC001573335809 947489139 /nfs/dbraw/zinc/48/91/39/947489139.db2.gz VMFOOYBILOSVPC-INIZCTEOSA-N -1 3 348.410 3.089 20 30 EGEDHM C=CCCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)ccn1)c1ccccc1 ZINC001573335809 947489143 /nfs/dbraw/zinc/48/91/43/947489143.db2.gz VMFOOYBILOSVPC-INIZCTEOSA-N -1 3 348.410 3.089 20 30 EGEDHM O=C([O-])C[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001594993043 951049949 /nfs/dbraw/zinc/04/99/49/951049949.db2.gz IUWOJPUULJVYRZ-CQSZACIVSA-N -1 3 325.330 3.244 20 30 EGEDHM C=CC[C@H]1CCCC[C@H]1NCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001588770954 984136932 /nfs/dbraw/zinc/13/69/32/984136932.db2.gz KLIWIHIFTGQBRP-SWLSCSKDSA-N -1 3 341.411 3.258 20 30 EGEDHM CC(C)(C#N)c1ccc(CNCc2cccc(OCC(=O)[O-])c2)cc1 ZINC001589558007 987308657 /nfs/dbraw/zinc/30/86/57/987308657.db2.gz KFODKNPHRKEDKN-UHFFFAOYSA-N -1 3 338.407 3.241 20 30 EGEDHM CSCc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001599803027 988208841 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Cc1cc(C#N)cnc1C(=O)Nc1ccc([O-])c(COC(C)C)c1 ZINC000552696957 315229071 /nfs/dbraw/zinc/22/90/71/315229071.db2.gz GULYVOLUYKZBHU-UHFFFAOYSA-N -1 3 325.368 3.145 20 30 EGEDHM Cc1cc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)ccc1C#N ZINC000564527801 316162841 /nfs/dbraw/zinc/16/28/41/316162841.db2.gz ORRSXSUCSHIHLP-LBPRGKRZSA-N -1 3 334.363 3.122 20 30 EGEDHM CC(C)(CCc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000389159009 324279011 /nfs/dbraw/zinc/27/90/11/324279011.db2.gz WTCZSEICSDKVOS-UHFFFAOYSA-N -1 3 334.466 3.309 20 30 EGEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](CC1CCC1)c1ccccc1 ZINC000577813668 324868915 /nfs/dbraw/zinc/86/89/15/324868915.db2.gz VGPOPAGAJGGOOC-MRXNPFEDSA-N -1 3 341.436 3.163 20 30 EGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Br)c(C)cc1C ZINC000416962551 458358554 /nfs/dbraw/zinc/35/85/54/458358554.db2.gz QNAPADGFCNPBAX-JTQLQIEISA-N -1 3 331.235 3.110 20 30 EGEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420750440 458399958 /nfs/dbraw/zinc/39/99/58/458399958.db2.gz NCOHKZWYYNMGDP-UHFFFAOYSA-N -1 3 325.764 3.186 20 30 EGEDHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccc(C#Cc2cccs2)c1 ZINC000605291001 460560010 /nfs/dbraw/zinc/56/00/10/460560010.db2.gz FUBIHQOYCRKRGG-INIZCTEOSA-N -1 3 347.461 3.069 20 30 EGEDHM N#Cc1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000081459060 453874417 /nfs/dbraw/zinc/87/44/17/453874417.db2.gz KNSKUUUHPMYBEM-UHFFFAOYSA-N -1 3 335.285 3.333 20 30 EGEDHM O=C(COc1ccccc1Cl)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053524617 453883971 /nfs/dbraw/zinc/88/39/71/453883971.db2.gz RTAGNDWVCSGQAU-UHFFFAOYSA-N -1 3 329.747 3.187 20 30 EGEDHM O=C(COc1ccccc1Cl)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053524617 453883974 /nfs/dbraw/zinc/88/39/74/453883974.db2.gz RTAGNDWVCSGQAU-UHFFFAOYSA-N -1 3 329.747 3.187 20 30 EGEDHM O=C(COc1ccccc1Cl)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053524617 453883977 /nfs/dbraw/zinc/88/39/77/453883977.db2.gz RTAGNDWVCSGQAU-UHFFFAOYSA-N -1 3 329.747 3.187 20 30 EGEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(-n2cccc2)cc1 ZINC000053525157 453884526 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COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c(C)c1 ZINC000055578606 453996704 /nfs/dbraw/zinc/99/67/04/453996704.db2.gz YOXGMJPCEVKBDV-UHFFFAOYSA-N -1 3 336.800 3.330 20 30 EGEDHM Cc1cc(C)cc(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000055898303 454023228 /nfs/dbraw/zinc/02/32/28/454023228.db2.gz HEXWMBWLWHZBQP-UHFFFAOYSA-N -1 3 337.423 3.076 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(F)c(Br)c2)nc(C)n1 ZINC000076822006 454040480 /nfs/dbraw/zinc/04/04/80/454040480.db2.gz RNWOHHNJVASQSK-NSHDSACASA-N -1 3 348.175 3.485 20 30 EGEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(-c2cnco2)cc1 ZINC000056810069 454081629 /nfs/dbraw/zinc/08/16/29/454081629.db2.gz FYQSRTUUCFNKLF-UHFFFAOYSA-N -1 3 332.323 3.158 20 30 EGEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(-c2cnco2)cc1 ZINC000056810069 454081632 /nfs/dbraw/zinc/08/16/32/454081632.db2.gz FYQSRTUUCFNKLF-UHFFFAOYSA-N -1 3 332.323 3.158 20 30 EGEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(-c2cnco2)cc1 ZINC000056810069 454081633 /nfs/dbraw/zinc/08/16/33/454081633.db2.gz FYQSRTUUCFNKLF-UHFFFAOYSA-N -1 3 332.323 3.158 20 30 EGEDHM N#CC(=C([O-])c1cccc(OCC(F)F)n1)c1nc2ccccc2[nH]1 ZINC000089964419 454247880 /nfs/dbraw/zinc/24/78/80/454247880.db2.gz FLPGJLNKZCTNSG-JTQLQIEISA-N -1 3 342.305 3.092 20 30 EGEDHM CC(C)c1nc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccccc1F ZINC000078948076 454343173 /nfs/dbraw/zinc/34/31/73/454343173.db2.gz IFXOAVHIFUIFFD-ZDUSSCGKSA-N -1 3 349.369 3.415 20 30 EGEDHM COc1cccc(-c2nc(C([O-])=C(C#N)c3ccccn3)c(C)[nH]2)c1 ZINC000091438962 454435365 /nfs/dbraw/zinc/43/53/65/454435365.db2.gz HGRHWKWCRVYJFE-OAHLLOKOSA-N -1 3 332.363 3.279 20 30 EGEDHM N#CCCn1cc(/C=C/C(=O)Nc2ncccc2[O-])c2ccccc21 ZINC000121824561 454482319 /nfs/dbraw/zinc/48/23/19/454482319.db2.gz OZPZZFAERFDDDO-CMDGGOBGSA-N -1 3 332.363 3.307 20 30 EGEDHM CCC1CCC(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000066026316 454651079 /nfs/dbraw/zinc/65/10/79/454651079.db2.gz OOTIMANTZKRNLT-UHFFFAOYSA-N -1 3 343.471 3.129 20 30 EGEDHM C[C@@H](CC#N)N(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000161861822 454730177 /nfs/dbraw/zinc/73/01/77/454730177.db2.gz BXCZNOLSOQUPDJ-LBPRGKRZSA-N -1 3 338.436 3.386 20 30 EGEDHM Cc1cccc2c1[n-]cc(C(=O)N(C)Cc1cccc(C#N)c1)c2=O ZINC000161980528 454742056 /nfs/dbraw/zinc/74/20/56/454742056.db2.gz YUXNZMKNMNZNSM-UHFFFAOYSA-N -1 3 331.375 3.393 20 30 EGEDHM C[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])N(C)Cc1ccccc1 ZINC000110129344 454841613 /nfs/dbraw/zinc/84/16/13/454841613.db2.gz CGMLVTFSKCSOSW-BXUJETTOSA-N -1 3 327.384 3.240 20 30 EGEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1CC(C)C ZINC000155509571 455010259 /nfs/dbraw/zinc/01/02/59/455010259.db2.gz WORGPWBTQSMWFB-CQSZACIVSA-N -1 3 335.411 3.224 20 30 EGEDHM N#CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000171714121 455088715 /nfs/dbraw/zinc/08/87/15/455088715.db2.gz QRIIKQMYRUMVMQ-UHFFFAOYSA-N -1 3 340.754 3.331 20 30 EGEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000128962044 455092740 /nfs/dbraw/zinc/09/27/40/455092740.db2.gz NLFKRBBTKZFROB-CYBMUJFWSA-N -1 3 346.374 3.456 20 30 EGEDHM C=C[C@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000129141494 455099430 /nfs/dbraw/zinc/09/94/30/455099430.db2.gz VVFMSYDHGDYFHK-CQSZACIVSA-N -1 3 344.436 3.357 20 30 EGEDHM Cc1cccc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c1F ZINC000181388203 455326227 /nfs/dbraw/zinc/32/62/27/455326227.db2.gz UMKBICKPXDXGQA-OAHLLOKOSA-N -1 3 332.400 3.458 20 30 EGEDHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000182009649 455414992 /nfs/dbraw/zinc/41/49/92/455414992.db2.gz YKEYMEHYWOHOES-ABAIWWIYSA-N -1 3 342.848 3.099 20 30 EGEDHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(C#N)cc2)[n-]1 ZINC000191963515 455535881 /nfs/dbraw/zinc/53/58/81/455535881.db2.gz FBCWHTAKMKHPLJ-UHFFFAOYSA-N -1 3 340.383 3.053 20 30 EGEDHM CCCCc1nc(NC(=O)c2ccc(C#N)cc2)c(C(=O)OCC)[n-]1 ZINC000191963515 455535884 /nfs/dbraw/zinc/53/58/84/455535884.db2.gz FBCWHTAKMKHPLJ-UHFFFAOYSA-N -1 3 340.383 3.053 20 30 EGEDHM Cc1ccc(C(=O)C(C(=S)[N-]C2CCC2)[n+]2cccc([O-])c2)s1 ZINC000292268370 455614515 /nfs/dbraw/zinc/61/45/15/455614515.db2.gz GQYGONPFAKDSQK-UHFFFAOYSA-O -1 3 347.485 3.131 20 30 EGEDHM CCOc1cnc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)cn1 ZINC000186061817 455686851 /nfs/dbraw/zinc/68/68/51/455686851.db2.gz JSNZZYKXOAIPAA-UHFFFAOYSA-N -1 3 342.424 3.330 20 30 EGEDHM N#Cc1ccccc1N1CCCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186188507 455713024 /nfs/dbraw/zinc/71/30/24/455713024.db2.gz VMUCAXGICSDKFX-UHFFFAOYSA-N -1 3 325.387 3.115 20 30 EGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c1 ZINC000186244744 455724547 /nfs/dbraw/zinc/72/45/47/455724547.db2.gz HKCFNCOUKGXPCT-CYBMUJFWSA-N -1 3 336.800 3.161 20 30 EGEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000186435494 455768289 /nfs/dbraw/zinc/76/82/89/455768289.db2.gz RWLHWIFPDSGKGU-SECBINFHSA-N -1 3 340.754 3.329 20 30 EGEDHM COc1cc(C(=O)N[C@@H](C#N)c2ccccc2Cl)cc(OC)c1[O-] ZINC000186811149 455838956 /nfs/dbraw/zinc/83/89/56/455838956.db2.gz VLBXQLNAUCKWIK-ZDUSSCGKSA-N -1 3 346.770 3.057 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCOc3c(F)cccc32)c1[O-] ZINC000272085120 455842704 /nfs/dbraw/zinc/84/27/04/455842704.db2.gz CHQSAGGVXWNOBO-BCUFPXHISA-N -1 3 330.359 3.060 20 30 EGEDHM CS(=O)(=O)C1(C/N=C/c2c([O-])ccc3ccccc32)CCCC1 ZINC000285598443 455878455 /nfs/dbraw/zinc/87/84/55/455878455.db2.gz UIXQRQCDBSHTLS-XDHOZWIPSA-N -1 3 331.437 3.322 20 30 EGEDHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C#N)C(C)C)c1Cl ZINC000613573148 460998984 /nfs/dbraw/zinc/99/89/84/460998984.db2.gz DVRKBCJECAWCNB-LLVKDONJSA-N -1 3 335.256 3.437 20 30 EGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cnc4ccc(F)cc4c3)nc1-2 ZINC000340245259 456337985 /nfs/dbraw/zinc/33/79/85/456337985.db2.gz QXGJLOXBBIZZBV-CQSZACIVSA-N -1 3 345.337 3.444 20 30 EGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@@]34CCOC4)c2)n1 ZINC000329613095 456915426 /nfs/dbraw/zinc/91/54/26/456915426.db2.gz OSTPNNLSSBMZSL-HNAYVOBHSA-N -1 3 339.395 3.426 20 30 EGEDHM N#CCCN(Cc1cccnc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345712933 456988971 /nfs/dbraw/zinc/98/89/71/456988971.db2.gz HOKSDKXGPCXSNY-UHFFFAOYSA-N -1 3 341.386 3.191 20 30 EGEDHM Cc1ccc(-c2nnc(NC(=O)C[C@H](CC#N)c3ccccc3)[n-]2)o1 ZINC000359840809 457134705 /nfs/dbraw/zinc/13/47/05/457134705.db2.gz JIIKTOYTSHODKT-AWEZNQCLSA-N -1 3 335.367 3.399 20 30 EGEDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H](CC#N)c3ccccc3)n2)o1 ZINC000359840809 457134708 /nfs/dbraw/zinc/13/47/08/457134708.db2.gz JIIKTOYTSHODKT-AWEZNQCLSA-N -1 3 335.367 3.399 20 30 EGEDHM Cc1ccc(-c2nc(NC(=O)C[C@H](CC#N)c3ccccc3)n[n-]2)o1 ZINC000359840809 457134716 /nfs/dbraw/zinc/13/47/16/457134716.db2.gz JIIKTOYTSHODKT-AWEZNQCLSA-N -1 3 335.367 3.399 20 30 EGEDHM N#C[C@@H]1N(C(=O)c2cc([O-])ccc2Cl)CCC[C@@]12CCCCO2 ZINC000352016659 457332552 /nfs/dbraw/zinc/33/25/52/457332552.db2.gz YUXQWQHCNBRCLH-RDJZCZTQSA-N -1 3 334.803 3.113 20 30 EGEDHM C=CCCn1cc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)nn1 ZINC000425608456 457611605 /nfs/dbraw/zinc/61/16/05/457611605.db2.gz OYSWPKKLLUUBGD-UHFFFAOYSA-N -1 3 329.429 3.337 20 30 EGEDHM CCc1cc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)ccc1[O-] ZINC000366271267 457803774 /nfs/dbraw/zinc/80/37/74/457803774.db2.gz XGBKTGVKMSOQFW-HKUYNNGSSA-N -1 3 328.412 3.022 20 30 EGEDHM CC(=O)c1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n(C)c1 ZINC000362120929 458031274 /nfs/dbraw/zinc/03/12/74/458031274.db2.gz ZOJAKRXRRCUJRW-GFCCVEGCSA-N -1 3 335.285 3.132 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1c(F)cccc1Cl ZINC000435440120 458147469 /nfs/dbraw/zinc/14/74/69/458147469.db2.gz ZPMMYCLCXVGNPX-MRVPVSSYSA-N -1 3 344.820 3.452 20 30 EGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416454342 458348093 /nfs/dbraw/zinc/34/80/93/458348093.db2.gz IKODGTQKGIJONW-NSHDSACASA-N -1 3 345.848 3.150 20 30 EGEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1c([O-])cccc1O ZINC000436645529 458351607 /nfs/dbraw/zinc/35/16/07/458351607.db2.gz CXSZDJIQHJKAJU-UHFFFAOYSA-N -1 3 330.343 3.145 20 30 EGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCc2ccc(Cl)cc2)C1 ZINC000424206085 458584324 /nfs/dbraw/zinc/58/43/24/458584324.db2.gz GOKJPBCUEHCDDQ-CJNGLKHVSA-N -1 3 340.876 3.274 20 30 EGEDHM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000516654677 458820904 /nfs/dbraw/zinc/82/09/04/458820904.db2.gz RBGXOCDJOXSQOC-UHFFFAOYSA-N -1 3 328.409 3.294 20 30 EGEDHM CC(C)(CCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443074792 459086281 /nfs/dbraw/zinc/08/62/81/459086281.db2.gz UBZUNPJSQQUINI-UHFFFAOYSA-N -1 3 346.427 3.387 20 30 EGEDHM Cc1cccc([O-])c1NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000496228970 459115610 /nfs/dbraw/zinc/11/56/10/459115610.db2.gz QAOPYZUUHYIBQX-CYBMUJFWSA-N -1 3 347.415 3.226 20 30 EGEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(CC#N)cc1)C1CCCCC1 ZINC000594695877 459132545 /nfs/dbraw/zinc/13/25/45/459132545.db2.gz KNVRTXMDZMGTGQ-QGZVFWFLSA-N -1 3 336.457 3.090 20 30 EGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000594721609 459139485 /nfs/dbraw/zinc/13/94/85/459139485.db2.gz SXKGNUSOMUCFAX-CQSZACIVSA-N -1 3 347.465 3.298 20 30 EGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CCC(C)(F)F ZINC000594777352 459154935 /nfs/dbraw/zinc/15/49/35/459154935.db2.gz ZOPQIWVWAQTYHD-UHFFFAOYSA-N -1 3 344.408 3.405 20 30 EGEDHM C=CCN(CC=C)[C@@H](CN=c1[n-]nc(C(F)(F)F)s1)C(C)C ZINC000479818047 459168250 /nfs/dbraw/zinc/16/82/50/459168250.db2.gz LTHPCWSFYGUWFO-NSHDSACASA-N -1 3 334.411 3.089 20 30 EGEDHM C=C(C)CO[N-]C(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC000496586047 459249144 /nfs/dbraw/zinc/24/91/44/459249144.db2.gz XTGKQSQQGIONEX-UHFFFAOYSA-N -1 3 346.427 3.151 20 30 EGEDHM C=CCN(Cc1cc(Br)ccc1F)CC1(C(=O)[O-])CC1 ZINC000569701214 459496400 /nfs/dbraw/zinc/49/64/00/459496400.db2.gz YNPAPJJZTRMCBI-UHFFFAOYSA-N -1 3 342.208 3.441 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC000562433066 459560435 /nfs/dbraw/zinc/56/04/35/459560435.db2.gz XIVGXTLGBFIXMV-CTYIDZIISA-N -1 3 348.374 3.061 20 30 EGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc2[n-]nnc21 ZINC000527104957 459591704 /nfs/dbraw/zinc/59/17/04/459591704.db2.gz LUEUWCYDNWCYKH-UHFFFAOYSA-N -1 3 333.395 3.128 20 30 EGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc2nn[n-]c21 ZINC000527104957 459591710 /nfs/dbraw/zinc/59/17/10/459591710.db2.gz LUEUWCYDNWCYKH-UHFFFAOYSA-N -1 3 333.395 3.128 20 30 EGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc2n[n-]nc21 ZINC000527104957 459591712 /nfs/dbraw/zinc/59/17/12/459591712.db2.gz LUEUWCYDNWCYKH-UHFFFAOYSA-N -1 3 333.395 3.128 20 30 EGEDHM N#CCCn1cc(/C=C\C(=O)[N-]O[C@H]2CCCCO2)c2ccccc21 ZINC000491403397 459624064 /nfs/dbraw/zinc/62/40/64/459624064.db2.gz XYCNBMZJMXYPHW-VJIACCKLSA-N -1 3 339.395 3.143 20 30 EGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccnc(OC4CCC4)c3)nc1-2 ZINC000543706198 459686461 /nfs/dbraw/zinc/68/64/61/459686461.db2.gz KWGZOBSHQVBIOB-AWEZNQCLSA-N -1 3 347.378 3.083 20 30 EGEDHM N#C[C@@H](NC(=O)/C=C/c1cncc([O-])c1)c1cccc(C(F)(F)F)c1 ZINC000492519657 459709091 /nfs/dbraw/zinc/70/90/91/459709091.db2.gz KIAADAPDFWQDFF-MBVDDHJVSA-N -1 3 347.296 3.200 20 30 EGEDHM N#CCCn1cc(/C=C\C(=O)[N-]OC/C=C/Cl)c2ccccc21 ZINC000493024162 459730064 /nfs/dbraw/zinc/73/00/64/459730064.db2.gz NCMCWDQCZPMEHT-WHMMHWJWSA-N -1 3 329.787 3.368 20 30 EGEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1cc(OC)c(OCCC)c(OC)c1 ZINC000493360238 459741872 /nfs/dbraw/zinc/74/18/72/459741872.db2.gz WATCICDQQSXMRU-LJTDUEICSA-N -1 3 335.400 3.128 20 30 EGEDHM CC(C)Oc1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)c(F)c1 ZINC000563223898 459742892 /nfs/dbraw/zinc/74/28/92/459742892.db2.gz FBNNQDVSOJPVFN-UHFFFAOYSA-N -1 3 328.409 3.294 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2Cc3ccccc32)no1 ZINC000544965845 459794159 /nfs/dbraw/zinc/79/41/59/459794159.db2.gz HAOWJYORCRDYDJ-MRXNPFEDSA-N -1 3 346.390 3.132 20 30 EGEDHM COC(=O)c1cc(Cl)cc(NC(=O)c2cc(C#N)cs2)c1[O-] ZINC000588100647 459914480 /nfs/dbraw/zinc/91/44/80/459914480.db2.gz HIJPWYLLYPDRDB-UHFFFAOYSA-N -1 3 336.756 3.018 20 30 EGEDHM C=C(C)[C@@H](CC(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-])OCC ZINC000588098354 459915570 /nfs/dbraw/zinc/91/55/70/459915570.db2.gz PCDRXFFJUXRFEU-CYBMUJFWSA-N -1 3 341.791 3.142 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000610191197 460077852 /nfs/dbraw/zinc/07/78/52/460077852.db2.gz XAMXYHQTBVUEML-GHTZIAJQSA-N -1 3 349.434 3.055 20 30 EGEDHM N#Cc1cc([O-])cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000614302634 460085677 /nfs/dbraw/zinc/08/56/77/460085677.db2.gz NQZIBNIYPFNIOL-UHFFFAOYSA-N -1 3 328.278 3.330 20 30 EGEDHM CCOC(=O)c1sc([N-]C(=O)c2ccc(C#N)s2)c(C#N)c1C ZINC000610519405 460173181 /nfs/dbraw/zinc/17/31/81/460173181.db2.gz SLDOVBOGCJKQCS-UHFFFAOYSA-N -1 3 345.405 3.290 20 30 EGEDHM Cc1cc(C)cc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000598142833 460187847 /nfs/dbraw/zinc/18/78/47/460187847.db2.gz DKFQQYGMXLDQQD-UHFFFAOYSA-N -1 3 337.423 3.142 20 30 EGEDHM Cc1cccc(C(=O)N[C@H](C#N)c2ccccc2Br)c1[O-] ZINC000611280831 460328096 /nfs/dbraw/zinc/32/80/96/460328096.db2.gz VYFUOOPLWRKTGZ-CQSZACIVSA-N -1 3 345.196 3.458 20 30 EGEDHM Cc1cc(C(=O)N[C@H](C#N)c2ccccc2Br)ccc1[O-] ZINC000611528478 460388437 /nfs/dbraw/zinc/38/84/37/460388437.db2.gz WMBBUFGOIILEER-CQSZACIVSA-N -1 3 345.196 3.458 20 30 EGEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000613015725 460803649 /nfs/dbraw/zinc/80/36/49/460803649.db2.gz DLJRLKGJRNASHW-LLVKDONJSA-N -1 3 335.256 3.351 20 30 EGEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000613015732 460803665 /nfs/dbraw/zinc/80/36/65/460803665.db2.gz DLJRLKGJRNASHW-NSHDSACASA-N -1 3 335.256 3.351 20 30 EGEDHM N#CC1([N-]S(=O)(=O)c2cscc2Br)CCCCC1 ZINC000601963474 460963939 /nfs/dbraw/zinc/96/39/39/460963939.db2.gz UGHMOGMKCSWUJI-UHFFFAOYSA-N -1 3 349.275 3.015 20 30 EGEDHM CC(C)Oc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C)n1 ZINC000162348307 546963399 /nfs/dbraw/zinc/96/33/99/546963399.db2.gz JQCBPVJOTAJSJG-ZDUSSCGKSA-N -1 3 334.379 3.246 20 30 EGEDHM COc1cccc(N2CC[C@H](/N=C/c3c([O-])cccc3OC)C2)c1 ZINC000728174603 574725984 /nfs/dbraw/zinc/72/59/84/574725984.db2.gz WOTSMUGYKSCLAD-PVGUKEHMSA-N -1 3 326.396 3.107 20 30 EGEDHM [O-]c1cc(O)ccc1C=NNc1ccc(Br)cc1F ZINC000728433129 574749344 /nfs/dbraw/zinc/74/93/44/574749344.db2.gz SWRZLZOPZAHZGR-UHFFFAOYSA-N -1 3 325.137 3.445 20 30 EGEDHM C#CCOc1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000730996145 575043040 /nfs/dbraw/zinc/04/30/40/575043040.db2.gz OMUUNVUJMBMVQT-UHFFFAOYSA-N -1 3 345.420 3.125 20 30 EGEDHM CC(=O)Nc1ccc([O-])c(C(C)=NNc2cnnc3ccccc32)c1 ZINC000733748139 575387778 /nfs/dbraw/zinc/38/77/78/575387778.db2.gz IREJDOUWYCPHFE-UHFFFAOYSA-N -1 3 335.367 3.130 20 30 EGEDHM Cc1noc(COc2ccc(N=Cc3cccc([O-])c3O)cc2)n1 ZINC000733902838 575408134 /nfs/dbraw/zinc/40/81/34/575408134.db2.gz AXJGNTXMQRTFSW-UHFFFAOYSA-N -1 3 325.324 3.119 20 30 EGEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2nc3ccccc3s2)c1[O-] ZINC000734096164 575439498 /nfs/dbraw/zinc/43/94/98/575439498.db2.gz KLFULIDUNZWYBF-DLGFXHSSSA-N -1 3 327.409 3.378 20 30 EGEDHM Cc1cc(F)ccc1N1CCC[C@@H](/N=C\c2ccc(O)c([O-])c2O)C1 ZINC000735228872 575619652 /nfs/dbraw/zinc/61/96/52/575619652.db2.gz JWERJUDKONNBGF-IZBZYRJBSA-N -1 3 344.386 3.339 20 30 EGEDHM C=CCc1cc(OCC)cc(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c1[O-] ZINC000736115196 575900717 /nfs/dbraw/zinc/90/07/17/575900717.db2.gz YBMBVNBMTQSGGN-KRWDZBQOSA-N -1 3 345.439 3.206 20 30 EGEDHM CCCC[C@@H](CCC)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000736437231 575961402 /nfs/dbraw/zinc/96/14/02/575961402.db2.gz HWTRDISEOKMNJH-LLVKDONJSA-N -1 3 331.449 3.167 20 30 EGEDHM CCCC[C@@H](CCC)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000736437231 575961406 /nfs/dbraw/zinc/96/14/06/575961406.db2.gz HWTRDISEOKMNJH-LLVKDONJSA-N -1 3 331.449 3.167 20 30 EGEDHM Cc1ccc(Cl)c2c1NC(=O)C2=N[N-]c1cc(Cl)nc(C)n1 ZINC000741765637 576718510 /nfs/dbraw/zinc/71/85/10/576718510.db2.gz HFODXRIMQKCOCW-UHFFFAOYSA-N -1 3 336.182 3.169 20 30 EGEDHM CC(CCc1ccccc1F)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448206 576809325 /nfs/dbraw/zinc/80/93/25/576809325.db2.gz DSAYBDZEUWMDKE-UHFFFAOYSA-N -1 3 348.443 3.296 20 30 EGEDHM CC(CSC(C)(C)C)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448197 576809370 /nfs/dbraw/zinc/80/93/70/576809370.db2.gz CZIIRAMKEXVYKW-UHFFFAOYSA-N -1 3 328.503 3.056 20 30 EGEDHM CSc1ccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000743448724 576809393 /nfs/dbraw/zinc/80/93/93/576809393.db2.gz BZGOCVNUGHSNEE-UHFFFAOYSA-N -1 3 348.493 3.295 20 30 EGEDHM Oc1ccc2ccccc2c1C=NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823731864 599231905 /nfs/dbraw/zinc/23/19/05/599231905.db2.gz GISVOZRJKOUWEU-NHDPSOOVSA-N -1 3 347.353 3.484 20 30 EGEDHM N#Cc1cc(CSc2ccc(-c3nnn[n-]3)cc2Cl)ccn1 ZINC000826383854 607844900 /nfs/dbraw/zinc/84/49/00/607844900.db2.gz UMTAWNZYGRUWDR-UHFFFAOYSA-N -1 3 328.788 3.079 20 30 EGEDHM N#Cc1cc(CSc2ccc(-c3nn[n-]n3)cc2Cl)ccn1 ZINC000826383854 607844901 /nfs/dbraw/zinc/84/49/01/607844901.db2.gz UMTAWNZYGRUWDR-UHFFFAOYSA-N -1 3 328.788 3.079 20 30 EGEDHM COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000832226535 601298573 /nfs/dbraw/zinc/29/85/73/601298573.db2.gz OVSSXFKBXBSEIL-PIGZYNQJSA-N -1 3 328.343 3.182 20 30 EGEDHM N#Cc1cccc([C@@H](NCc2ccc(OC(F)F)cc2)C(=O)[O-])c1 ZINC000833075232 601298731 /nfs/dbraw/zinc/29/87/31/601298731.db2.gz JCWLAOZXTZNJCX-OAHLLOKOSA-N -1 3 332.306 3.075 20 30 EGEDHM COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000832226409 601300757 /nfs/dbraw/zinc/30/07/57/601300757.db2.gz NJZYDRJKBYWMSD-SGTLLEGYSA-N -1 3 340.379 3.052 20 30 EGEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000833074495 601310884 /nfs/dbraw/zinc/31/08/84/601310884.db2.gz YXJRHNOJLCRZPC-LJQANCHMSA-N -1 3 348.402 3.279 20 30 EGEDHM Clc1cnc(N=NCc2cc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC000822591037 606204727 /nfs/dbraw/zinc/20/47/27/606204727.db2.gz PGGVPTWYLZYALM-UHFFFAOYSA-N -1 3 340.199 3.076 20 30 EGEDHM Clc1cnc(N=NCc2cc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC000822591037 606204728 /nfs/dbraw/zinc/20/47/28/606204728.db2.gz PGGVPTWYLZYALM-UHFFFAOYSA-N -1 3 340.199 3.076 20 30 EGEDHM C#CCNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000819702222 606638396 /nfs/dbraw/zinc/63/83/96/606638396.db2.gz UJQPZEHHQPBGFP-UHFFFAOYSA-N -1 3 339.786 3.144 20 30 EGEDHM C#CCNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000819702222 606638397 /nfs/dbraw/zinc/63/83/97/606638397.db2.gz UJQPZEHHQPBGFP-UHFFFAOYSA-N -1 3 339.786 3.144 20 30 EGEDHM N#Cc1ccc(NC(=O)c2ccc3sccc3c2)cc1-c1nnn[n-]1 ZINC000822829749 606733728 /nfs/dbraw/zinc/73/37/28/606733728.db2.gz HHWIUTAVCYKICN-UHFFFAOYSA-N -1 3 346.375 3.205 20 30 EGEDHM N#Cc1ccc(NC(=O)c2ccc3sccc3c2)cc1-c1nn[n-]n1 ZINC000822829749 606733729 /nfs/dbraw/zinc/73/37/29/606733729.db2.gz HHWIUTAVCYKICN-UHFFFAOYSA-N -1 3 346.375 3.205 20 30 EGEDHM C=C[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819729216 606813486 /nfs/dbraw/zinc/81/34/86/606813486.db2.gz FNBKKTBQQYHVBJ-CYBMUJFWSA-N -1 3 349.394 3.272 20 30 EGEDHM C=C[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819729216 606813488 /nfs/dbraw/zinc/81/34/88/606813488.db2.gz FNBKKTBQQYHVBJ-CYBMUJFWSA-N -1 3 349.394 3.272 20 30 EGEDHM C=C[C@@H](CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883248 607969332 /nfs/dbraw/zinc/96/93/32/607969332.db2.gz MHTAHPQILASKPW-CABCVRRESA-N -1 3 347.422 3.404 20 30 EGEDHM C=C[C@@H](CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883248 607969333 /nfs/dbraw/zinc/96/93/33/607969333.db2.gz MHTAHPQILASKPW-CABCVRRESA-N -1 3 347.422 3.404 20 30 EGEDHM C[C@H](Nc1ccc2cc(C#N)ccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662170 608223053 /nfs/dbraw/zinc/22/30/53/608223053.db2.gz FAKXOLQWEVVTNC-LBPRGKRZSA-N -1 3 341.378 3.460 20 30 EGEDHM C[C@H](Nc1ccc2cc(C#N)ccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662170 608223055 /nfs/dbraw/zinc/22/30/55/608223055.db2.gz FAKXOLQWEVVTNC-LBPRGKRZSA-N -1 3 341.378 3.460 20 30 EGEDHM CC(=NNc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963114 609159475 /nfs/dbraw/zinc/15/94/75/609159475.db2.gz VSWNKXMAZXEDSP-UHFFFAOYSA-N -1 3 332.289 3.120 20 30 EGEDHM COCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826164423 609271685 /nfs/dbraw/zinc/27/16/85/609271685.db2.gz YXGGESWQJQROML-TWGQIWQCSA-N -1 3 338.342 3.048 20 30 EGEDHM COCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826164423 609271686 /nfs/dbraw/zinc/27/16/86/609271686.db2.gz YXGGESWQJQROML-TWGQIWQCSA-N -1 3 338.342 3.048 20 30 EGEDHM N#CCc1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826382830 609487106 /nfs/dbraw/zinc/48/71/06/609487106.db2.gz XBHLMJCBNJVUSA-UHFFFAOYSA-N -1 3 325.759 3.165 20 30 EGEDHM N#CCc1ccc(COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826382830 609487108 /nfs/dbraw/zinc/48/71/08/609487108.db2.gz XBHLMJCBNJVUSA-UHFFFAOYSA-N -1 3 325.759 3.165 20 30 EGEDHM C[C@H](C#N)Oc1ccccc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824035046 609503867 /nfs/dbraw/zinc/50/38/67/609503867.db2.gz SDZBTGMUAWYMRT-OLZOCXBDSA-N -1 3 334.383 3.331 20 30 EGEDHM C[C@H](C#N)Oc1ccccc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000824035046 609503870 /nfs/dbraw/zinc/50/38/70/609503870.db2.gz SDZBTGMUAWYMRT-OLZOCXBDSA-N -1 3 334.383 3.331 20 30 EGEDHM C#CCCCCCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823842031 609603445 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Cc1ccccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cn1 ZINC000112222641 1293122319 /nfs/dbraw/zinc/12/23/19/1293122319.db2.gz ZOTYEDMUBUANHK-KRWDZBQOSA-N -1 3 344.374 3.142 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nn1C(C)C ZINC000835062946 1293197083 /nfs/dbraw/zinc/19/70/83/1293197083.db2.gz GTXOGONNYIDDFQ-LBPRGKRZSA-N -1 3 344.802 3.387 20 30 EGEDHM CCCN(CC(=O)[N-]OCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000119336701 1293265363 /nfs/dbraw/zinc/26/53/63/1293265363.db2.gz QWVWXPBFAFLTRO-UHFFFAOYSA-N -1 3 337.423 3.018 20 30 EGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1nc2ccccc2s1 ZINC000126414999 1293534013 /nfs/dbraw/zinc/53/40/13/1293534013.db2.gz GKRUUAVTQSIGQN-IDVQTMNDSA-N -1 3 348.387 3.052 20 30 EGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000128359866 1293590057 /nfs/dbraw/zinc/59/00/57/1293590057.db2.gz YVTRHGSXBPALKN-INIZCTEOSA-N -1 3 337.335 3.118 20 30 EGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(F)cc(F)c1 ZINC000128933495 1293608037 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COc1cccc(N2CC[C@H](/N=C\c3c([O-])cccc3OC)C2)c1 ZINC000728174600 574725840 /nfs/dbraw/zinc/72/58/40/574725840.db2.gz WOTSMUGYKSCLAD-GQFJFNLSSA-N -1 3 326.396 3.107 20 30 EGEDHM N#Cc1ccc(F)c(CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737717757 575003977 /nfs/dbraw/zinc/00/39/77/575003977.db2.gz IVEADLUVNHLSJV-UHFFFAOYSA-N -1 3 343.362 3.450 20 30 EGEDHM N#Cc1ccc(F)c(CSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737717757 575003978 /nfs/dbraw/zinc/00/39/78/575003978.db2.gz IVEADLUVNHLSJV-UHFFFAOYSA-N -1 3 343.362 3.450 20 30 EGEDHM C[C@@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735502308 575670988 /nfs/dbraw/zinc/67/09/88/575670988.db2.gz DQRAQIDFCHWGCX-HQAMWZJRSA-N -1 3 345.362 3.054 20 30 EGEDHM C[C@@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735502308 575670992 /nfs/dbraw/zinc/67/09/92/575670992.db2.gz DQRAQIDFCHWGCX-HQAMWZJRSA-N -1 3 345.362 3.054 20 30 EGEDHM C[C@@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735502310 575671023 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Cc1ccc(CCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737338207 576209738 /nfs/dbraw/zinc/20/97/38/576209738.db2.gz PHKLVVRCGMUDTO-UHFFFAOYSA-N -1 3 346.394 3.008 20 30 EGEDHM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737945950 576275327 /nfs/dbraw/zinc/27/53/27/576275327.db2.gz FKOMJUDVYNLRSZ-KPZWWZAWSA-N -1 3 340.379 3.052 20 30 EGEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC(c3nccs3)CC2)cc1 ZINC000739105745 576378101 /nfs/dbraw/zinc/37/81/01/576378101.db2.gz OBEJOFDVCBPJJH-HNNXBMFYSA-N -1 3 327.409 3.020 20 30 EGEDHM C=CCc1cc(OCC)cc(CN2CCO[C@H](C(F)(F)F)C2)c1[O-] ZINC000739873955 576512597 /nfs/dbraw/zinc/51/25/97/576512597.db2.gz KNAUHOVIWBKERO-HNNXBMFYSA-N -1 3 345.361 3.283 20 30 EGEDHM C#CCSCCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000740149561 576555047 /nfs/dbraw/zinc/55/50/47/576555047.db2.gz OLSNDWCGXDXJNQ-UHFFFAOYSA-N -1 3 341.432 3.067 20 30 EGEDHM Cc1ccccc1C(=N[N-]S(=O)(=O)CCc1ccccc1)C1CC1 ZINC000743448306 576809338 /nfs/dbraw/zinc/80/93/38/576809338.db2.gz 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C=CCc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)cc(OC)c1O ZINC000904265301 969607280 /nfs/dbraw/zinc/60/72/80/969607280.db2.gz XRRBSDMAJXMCSC-GOSISDBHSA-N -1 3 341.407 3.353 20 30 EGEDHM C[C@@H](C#N)Oc1ccc(CN[C@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001589335460 986211714 /nfs/dbraw/zinc/21/17/14/986211714.db2.gz RFUCUOJDBFUXIS-DJJJIMSYSA-N -1 3 342.370 3.206 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC=Cc2ccccc21 ZINC000190125936 238236670 /nfs/dbraw/zinc/23/66/70/238236670.db2.gz UINSJRATRJEZHE-UHFFFAOYSA-N -1 3 347.418 3.246 20 30 EGEDHM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1N1CCCC1 ZINC000073135056 203257488 /nfs/dbraw/zinc/25/74/88/203257488.db2.gz HJOVKHRWQBLJKD-UHFFFAOYSA-N -1 3 341.436 3.268 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)s1 ZINC000318587979 154160291 /nfs/dbraw/zinc/16/02/91/154160291.db2.gz HUTNVPOPIASXOH-UHFFFAOYSA-N -1 3 346.355 3.117 20 30 EGEDHM N#Cc1cnccc1[N-]C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000344368555 164165178 /nfs/dbraw/zinc/16/51/78/164165178.db2.gz 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EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000435429998 268258302 /nfs/dbraw/zinc/25/83/02/268258302.db2.gz XGFNSYRFBVTECL-HUUCEWRRSA-N -1 3 332.450 3.234 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)c(Cl)c1 ZINC000503482307 268259184 /nfs/dbraw/zinc/25/91/84/268259184.db2.gz CCSOPNPJDAVWCN-GOEBONIOSA-N -1 3 346.839 3.121 20 30 EGEDHM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091015437 307462044 /nfs/dbraw/zinc/46/20/44/307462044.db2.gz VMZOADHFBMZUPL-UHFFFAOYSA-N -1 3 330.409 3.455 20 30 EGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCc1cccs1 ZINC000536703320 314139888 /nfs/dbraw/zinc/13/98/88/314139888.db2.gz TYBPICKEMFKABZ-UHFFFAOYSA-N -1 3 340.857 3.184 20 30 EGEDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1Cl ZINC000573033452 317426629 /nfs/dbraw/zinc/42/66/29/317426629.db2.gz GDHYHNUOJDQMEL-HNNXBMFYSA-N -1 3 338.816 3.480 20 30 EGEDHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000228885406 456124416 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COc1ccc(/N=C/c2cccc([O-])c2O)cc1N1CCCCC1=O ZINC000031643022 453850558 /nfs/dbraw/zinc/85/05/58/453850558.db2.gz MNKSRGUPJZJFAW-UDWIEESQSA-N -1 3 340.379 3.374 20 30 EGEDHM C=C(C)COc1cccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000081654977 453901219 /nfs/dbraw/zinc/90/12/19/453901219.db2.gz NQZGFNPVIBNEAE-UHFFFAOYSA-N -1 3 345.424 3.007 20 30 EGEDHM C[C@@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)NC(=O)C1CCCCC1 ZINC000067149609 453907150 /nfs/dbraw/zinc/90/71/50/453907150.db2.gz FVZWCRLNTXRLMY-NSHDSACASA-N -1 3 345.403 3.128 20 30 EGEDHM C[C@@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)NC(=O)C1CCCCC1 ZINC000067149609 453907152 /nfs/dbraw/zinc/90/71/52/453907152.db2.gz FVZWCRLNTXRLMY-NSHDSACASA-N -1 3 345.403 3.128 20 30 EGEDHM C[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)NC(=O)C1CCCCC1 ZINC000067149609 453907156 /nfs/dbraw/zinc/90/71/56/453907156.db2.gz FVZWCRLNTXRLMY-NSHDSACASA-N -1 3 345.403 3.128 20 30 EGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000041521746 453970328 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C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000108998797 454819319 /nfs/dbraw/zinc/81/93/19/454819319.db2.gz QIZLFNRTNYTJFE-JTQLQIEISA-N -1 3 345.449 3.494 20 30 EGEDHM CCCOc1ccc(/C=N/C[C@@H](O)c2cccc(OC)c2)c([O-])c1 ZINC000110129476 454842376 /nfs/dbraw/zinc/84/23/76/454842376.db2.gz SJGITEHHWFXBFZ-FUNKKEAFSA-N -1 3 329.396 3.342 20 30 EGEDHM COc1cc(Br)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000111160359 454858118 /nfs/dbraw/zinc/85/81/18/454858118.db2.gz GMPDFYTXIUWMRN-GFCCVEGCSA-N -1 3 331.169 3.343 20 30 EGEDHM Cc1cn(-c2c(F)cccc2F)nc1C([O-])=C(C#N)c1ccccn1 ZINC000191465778 455487418 /nfs/dbraw/zinc/48/74/18/455487418.db2.gz LERQQPDYYOZIOB-GFCCVEGCSA-N -1 3 338.317 3.344 20 30 EGEDHM Cc1cscc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160835222 455503900 /nfs/dbraw/zinc/50/39/00/455503900.db2.gz SDVSBLGQOWHHIZ-UHFFFAOYSA-N -1 3 326.830 3.060 20 30 EGEDHM Cc1nc(-c2ccccc2)oc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000181432456 455334329 /nfs/dbraw/zinc/33/43/29/455334329.db2.gz IGGJNBBFAJIZDL-CQSZACIVSA-N -1 3 346.346 3.006 20 30 EGEDHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c1 ZINC000161119317 455536062 /nfs/dbraw/zinc/53/60/62/455536062.db2.gz RNXXSIZUSKXQQP-CQSZACIVSA-N -1 3 342.848 3.099 20 30 EGEDHM N#C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000161189351 455545282 /nfs/dbraw/zinc/54/52/82/455545282.db2.gz LZYZJYDKQNLBBG-ZDUSSCGKSA-N -1 3 337.162 3.399 20 30 EGEDHM N#CC1([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)CCCCC1 ZINC000194653494 455868655 /nfs/dbraw/zinc/86/86/55/455868655.db2.gz BUXUCZRCBQWQHW-UHFFFAOYSA-N -1 3 330.812 3.125 20 30 EGEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000194690006 455873781 /nfs/dbraw/zinc/87/37/81/455873781.db2.gz GPHDUXIYTXRHRC-XHDPSFHLSA-N -1 3 344.839 3.371 20 30 EGEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000188104582 455997786 /nfs/dbraw/zinc/99/77/86/455997786.db2.gz ZAYLPNHIBQCMSZ-ZDUSSCGKSA-N -1 3 342.848 3.099 20 30 EGEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000280719634 456038432 /nfs/dbraw/zinc/03/84/32/456038432.db2.gz CAZRZYUEPMGLMD-QGZVFWFLSA-N -1 3 343.377 3.053 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc(OC(F)F)cc2)c1[O-] ZINC000298243347 456402098 /nfs/dbraw/zinc/40/20/98/456402098.db2.gz PFXMDBOZLDZZLF-DTZICQQMSA-N -1 3 336.338 3.369 20 30 EGEDHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000298341592 456429619 /nfs/dbraw/zinc/42/96/19/456429619.db2.gz DELKFEFJULGMID-SFHVURJKSA-N -1 3 337.423 3.476 20 30 EGEDHM CN(C)CCN(Cc1ccc(C#N)cc1)Cc1cccc([O-])c1Cl ZINC000353495777 456715645 /nfs/dbraw/zinc/71/56/45/456715645.db2.gz JHWFFYLVJRIVGY-UHFFFAOYSA-N -1 3 343.858 3.481 20 30 EGEDHM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1Cc1ccccc1 ZINC000338316218 456768923 /nfs/dbraw/zinc/76/89/23/456768923.db2.gz KGWXQOUREMMOPE-QGZVFWFLSA-N -1 3 345.406 3.137 20 30 EGEDHM N#C[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000348886414 456885914 /nfs/dbraw/zinc/88/59/14/456885914.db2.gz RHMVCDWIAZHSQZ-SECBINFHSA-N -1 3 328.180 3.150 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CC(=NNc1cccc2ncccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823963261 608094763 /nfs/dbraw/zinc/09/47/63/608094763.db2.gz ZXIJOSOUTYLKIP-UHFFFAOYSA-N -1 3 335.396 3.313 20 30 EGEDHM O=C1c2cc(Cl)ccc2CC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826475467 608095122 /nfs/dbraw/zinc/09/51/22/608095122.db2.gz GSTKMKUSRUKFRU-TWGQIWQCSA-N -1 3 328.784 3.404 20 30 EGEDHM CC(=NNCc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953838 609275549 /nfs/dbraw/zinc/27/55/49/609275549.db2.gz RYIUNIAQFVERFZ-UHFFFAOYSA-N -1 3 344.781 3.173 20 30 EGEDHM CC(=NNCc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953838 609275551 /nfs/dbraw/zinc/27/55/51/609275551.db2.gz RYIUNIAQFVERFZ-UHFFFAOYSA-N -1 3 344.781 3.173 20 30 EGEDHM C=C(C)CN(CC)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000823878261 609355770 /nfs/dbraw/zinc/35/57/70/609355770.db2.gz UGXNJIMQAJLIJA-UHFFFAOYSA-N -1 3 336.237 3.027 20 30 EGEDHM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]2CCCO[C@H]21 ZINC000824783364 609468724 /nfs/dbraw/zinc/46/87/24/609468724.db2.gz FXJVINANKINRIB-SMDDNHRTSA-N 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COc1cc(C(=O)C=Cc2c[nH]nc2C(C)(C)C)c(OC)cc1[O-] ZINC000255128956 1296501440 /nfs/dbraw/zinc/50/14/40/1296501440.db2.gz DQEGJCZRDRDUAG-SREVYHEPSA-N -1 3 330.384 3.326 20 30 EGEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2SCCc3ccccc32)c1[O-] ZINC000749843684 1299285027 /nfs/dbraw/zinc/28/50/27/1299285027.db2.gz DPCIEYSVRGCYNY-DUPIZPNJSA-N -1 3 328.437 3.037 20 30 EGEDHM CC(=NNc1ccccc1S(C)(=O)=O)c1ccc([O-])c(Cl)c1 ZINC000768776683 1302976000 /nfs/dbraw/zinc/97/60/00/1302976000.db2.gz ISSXTGRZYPEBJY-UHFFFAOYSA-N -1 3 338.816 3.285 20 30 EGEDHM CCOc1cc(C=NN2CCc3ccccc3C2=O)cc(Cl)c1[O-] ZINC000769597727 1303144776 /nfs/dbraw/zinc/14/47/76/1303144776.db2.gz NPUDQAKKIOZJEU-UHFFFAOYSA-N -1 3 344.798 3.477 20 30 EGEDHM N#Cc1ccc(CN2CCN(Cc3cccc(Cl)c3[O-])CC2)cc1 ZINC000775645604 1304001473 /nfs/dbraw/zinc/00/14/73/1304001473.db2.gz BTVVQCUTOZSMOW-UHFFFAOYSA-N -1 3 341.842 3.235 20 30 EGEDHM Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776273075 1304125050 /nfs/dbraw/zinc/12/50/50/1304125050.db2.gz 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ZINC000788029184 1305848923 /nfs/dbraw/zinc/84/89/23/1305848923.db2.gz RVBVGOLKCDZYJT-UHFFFAOYSA-N -1 3 331.788 3.405 20 30 EGEDHM CC(C)(C)n1ncc2c1nc(N=NCc1cc3ccccc3[nH]1)[n-]c2=O ZINC000788429238 1305939624 /nfs/dbraw/zinc/93/96/24/1305939624.db2.gz HBJISYNFZKTRCT-UHFFFAOYSA-N -1 3 349.398 3.214 20 30 EGEDHM [O-]c1ccc(F)c(CN=Nc2nnc(-c3ccccn3)s2)c1F ZINC000794533730 1309543900 /nfs/dbraw/zinc/54/39/00/1309543900.db2.gz AIIOTJLMTUTWOW-UHFFFAOYSA-N -1 3 333.323 3.030 20 30 EGEDHM N#Cc1cc(NC([O-])=NO[C@H]2CCCCO2)ccc1OC(F)(F)F ZINC000799456708 1310555270 /nfs/dbraw/zinc/55/52/70/1310555270.db2.gz RKMKTHVRMLAJMD-LBPRGKRZSA-N -1 3 345.277 3.037 20 30 EGEDHM N#Cc1cc(NC(=O)[N-]O[C@H]2CCCCO2)ccc1OC(F)(F)F ZINC000799456708 1310555280 /nfs/dbraw/zinc/55/52/80/1310555280.db2.gz RKMKTHVRMLAJMD-LBPRGKRZSA-N -1 3 345.277 3.037 20 30 EGEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCC[C@@H]1CCCF ZINC000800813881 1310810056 /nfs/dbraw/zinc/81/00/56/1310810056.db2.gz LJIVATMMIKTYEX-OAHLLOKOSA-N -1 3 326.437 3.054 20 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CNC(=O)Cc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000912962618 1318957678 /nfs/dbraw/zinc/95/76/78/1318957678.db2.gz VUZRHTZVXVUYSG-UHFFFAOYSA-N -1 3 347.212 3.194 20 30 EGEDHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(=O)Nc1ccccc1C#N ZINC000914891952 1319394763 /nfs/dbraw/zinc/39/47/63/1319394763.db2.gz VSTKHJREGVOZKA-SNVBAGLBSA-N -1 3 339.376 3.285 20 30 EGEDHM CC(C)(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)n[nH]1 ZINC000916913568 1319725142 /nfs/dbraw/zinc/72/51/42/1319725142.db2.gz XAUWRHAHKRJRGO-JTQLQIEISA-N -1 3 344.802 3.322 20 30 EGEDHM COCCOc1cccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000917142571 1319763245 /nfs/dbraw/zinc/76/32/45/1319763245.db2.gz IIYAGLJVHWFQGC-VURMDHGXSA-N -1 3 328.364 3.322 20 30 EGEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)c1 ZINC000820799383 1319954766 /nfs/dbraw/zinc/95/47/66/1319954766.db2.gz NBXIIQSXMYQMMN-UHFFFAOYSA-N -1 3 328.180 3.061 20 30 EGEDHM CCOc1cc(-c2noc([C@H](N)CCCC#N)n2)cc(Cl)c1[O-] ZINC000823052819 1320149607 /nfs/dbraw/zinc/14/96/07/1320149607.db2.gz XKCRWMTZWCDWRB-LLVKDONJSA-N -1 3 336.779 3.188 20 30 EGEDHM C#CCOc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000836868545 1320544336 /nfs/dbraw/zinc/54/43/36/1320544336.db2.gz CSQKCXRBTWQGMC-UHFFFAOYSA-N -1 3 341.382 3.182 20 30 EGEDHM Cc1cc(N(C)C)ccc1C[C@@H](C)/N=C\c1c([O-])c(C)ncc1CO ZINC000840712938 1321133012 /nfs/dbraw/zinc/13/30/12/1321133012.db2.gz NFDQMFOGYZFLMV-WHJAWBAWSA-N -1 3 341.455 3.012 20 30 EGEDHM COc1cc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)c(OC)cc1[O-] ZINC000840715866 1321133400 /nfs/dbraw/zinc/13/34/00/1321133400.db2.gz HUORJNTYJCSIBQ-SREVYHEPSA-N -1 3 342.395 3.393 20 30 EGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000846546898 1321792279 /nfs/dbraw/zinc/79/22/79/1321792279.db2.gz ZXMLMIFYIXQSPJ-OAHLLOKOSA-N -1 3 341.455 3.412 20 30 EGEDHM C[C@@H]1C(N=Nc2ccc(CC(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000848414789 1321958490 /nfs/dbraw/zinc/95/84/90/1321958490.db2.gz RLTNGOYHKIJYSD-OAHLLOKOSA-N -1 3 337.423 3.376 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCc2ccccc21 ZINC000921241178 1322280305 /nfs/dbraw/zinc/28/03/05/1322280305.db2.gz OVOHQFHOIPTCOJ-SFHVURJKSA-N -1 3 336.391 3.439 20 30 EGEDHM C=CCCO[N-]C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000856032782 1325440965 /nfs/dbraw/zinc/44/09/65/1325440965.db2.gz QIOOWSACGAVIPV-HUUCEWRRSA-N -1 3 340.464 3.284 20 30 EGEDHM C=CCCO[N-]C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000856031394 1325441115 /nfs/dbraw/zinc/44/11/15/1325441115.db2.gz NTXSWWDOBIDLDG-UHFFFAOYSA-N -1 3 341.455 3.413 20 30 EGEDHM CCOC(=O)c1[nH]c(C)c(/C=C/C(=O)c2ccc([O-])c(OC)c2)c1C ZINC000863181307 1329532746 /nfs/dbraw/zinc/53/27/46/1329532746.db2.gz ZNCFQZFJFAVWSW-VQHVLOKHSA-N -1 3 343.379 3.419 20 30 EGEDHM C=CC(C)(C)CC(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001062014993 1351425012 /nfs/dbraw/zinc/42/50/12/1351425012.db2.gz HQIIGOSEZAFVPD-OAHLLOKOSA-N -1 3 344.455 3.105 20 30 EGEDHM C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001062015685 1351425797 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C[C@@H](C#N)S(=O)(=O)[N-][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000416482176 458347926 /nfs/dbraw/zinc/34/79/26/458347926.db2.gz FAXULPGVQWSYGO-ISVAXAHUSA-N -1 3 333.240 3.276 20 30 EGEDHM CCNc1ccc(C#N)cc1NC(=O)c1cc(C)cc(OC)c1[O-] ZINC000436752327 458374724 /nfs/dbraw/zinc/37/47/24/458374724.db2.gz AUDJRKJXDPEJIY-UHFFFAOYSA-N -1 3 325.368 3.265 20 30 EGEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000452028720 458492806 /nfs/dbraw/zinc/49/28/06/458492806.db2.gz ZFOKJNNPNOCGSX-CYBMUJFWSA-N -1 3 339.844 3.099 20 30 EGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000493974378 458609232 /nfs/dbraw/zinc/60/92/32/458609232.db2.gz AYJLHFJXJCMXEN-MRVPVSSYSA-N -1 3 338.654 3.345 20 30 EGEDHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C#N ZINC000470612081 458640424 /nfs/dbraw/zinc/64/04/24/458640424.db2.gz JZNRWDNOZDLXPO-MFKMUULPSA-N -1 3 338.816 3.365 20 30 EGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4c(c3)CCCC4=O)nc1-2 ZINC000551936465 458890464 /nfs/dbraw/zinc/89/04/64/458890464.db2.gz JBADKPFPVNTVPZ-OAHLLOKOSA-N -1 3 344.374 3.275 20 30 EGEDHM C=CCN(CC=C)[C@H](CN=c1[n-]nc(C(F)(F)F)s1)C(C)C ZINC000479818045 459169180 /nfs/dbraw/zinc/16/91/80/459169180.db2.gz LTHPCWSFYGUWFO-LLVKDONJSA-N -1 3 334.411 3.089 20 30 EGEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496451272 459197713 /nfs/dbraw/zinc/19/77/13/459197713.db2.gz BRZTWZBPMYRDDT-KBPBESRZSA-N -1 3 340.464 3.282 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccc3[nH]c(C(F)F)nc3c2)nc(C)n1 ZINC000522103226 459215100 /nfs/dbraw/zinc/21/51/00/459215100.db2.gz OMKBOHBGMMHMSF-LLVKDONJSA-N -1 3 341.321 3.397 20 30 EGEDHM CC(C)=CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000480727004 459215390 /nfs/dbraw/zinc/21/53/90/459215390.db2.gz CEHZFHCTTBSNSI-UHFFFAOYSA-N -1 3 332.347 3.212 20 30 EGEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496925797 459372749 /nfs/dbraw/zinc/37/27/49/459372749.db2.gz WVXYKWBKJFSXSM-CQSZACIVSA-N -1 3 340.464 3.284 20 30 EGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000569090235 459393395 /nfs/dbraw/zinc/39/33/95/459393395.db2.gz ZNBYDZUIEUBCAP-MRVPVSSYSA-N -1 3 338.654 3.345 20 30 EGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000486552947 459509823 /nfs/dbraw/zinc/50/98/23/459509823.db2.gz XNNOJAQFQYQAMU-UHFFFAOYSA-N -1 3 344.864 3.489 20 30 EGEDHM N#CC(=C([O-])c1cnc(C2CC2)nc1)c1ccc(C(F)(F)F)cn1 ZINC000583794745 459597879 /nfs/dbraw/zinc/59/78/79/459597879.db2.gz SMTDBNKQGKQMHM-LBPRGKRZSA-N -1 3 332.285 3.258 20 30 EGEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc4nccnc4n3)sc2C1 ZINC000562688625 459622997 /nfs/dbraw/zinc/62/29/97/459622997.db2.gz UGFGLFKEZIKTQT-JTQLQIEISA-N -1 3 349.419 3.335 20 30 EGEDHM C#C[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccc(Cl)cc1F ZINC000491693772 459654463 /nfs/dbraw/zinc/65/44/63/459654463.db2.gz LEHOEDICWAWUGV-IKVOSHDESA-N -1 3 332.762 3.174 20 30 EGEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(C)(C)C ZINC000491731845 459662255 /nfs/dbraw/zinc/66/22/55/459662255.db2.gz LCJKQVOUGGKZEJ-MRXNPFEDSA-N -1 3 338.411 3.327 20 30 EGEDHM C[C@H](CC#N)c1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000596584319 459685342 /nfs/dbraw/zinc/68/53/42/459685342.db2.gz WAKAFHKENSLAOJ-MRVPVSSYSA-N -1 3 341.396 3.265 20 30 EGEDHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000573659365 459712133 /nfs/dbraw/zinc/71/21/33/459712133.db2.gz XZWGLPHBNKXZFY-VIFPVBQESA-N -1 3 338.326 3.097 20 30 EGEDHM Cc1oc2ccccc2c1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000545218965 459812113 /nfs/dbraw/zinc/81/21/13/459812113.db2.gz BCWXYPLASOTUHN-UHFFFAOYSA-N -1 3 344.367 3.231 20 30 EGEDHM C=CC[C@@H](CC)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000545279432 459819159 /nfs/dbraw/zinc/81/91/59/459819159.db2.gz CQYJSZHGJPBCOQ-LLVKDONJSA-N -1 3 349.228 3.375 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccnn2CCc2ccccc2)nc(C)n1 ZINC000621706153 460014086 /nfs/dbraw/zinc/01/40/86/460014086.db2.gz KSCZMNFVVBDNBV-KRWDZBQOSA-N -1 3 345.406 3.023 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(c2ccccc2)C1 ZINC000598780162 460032123 /nfs/dbraw/zinc/03/21/23/460032123.db2.gz HDNVBNPCMVFLMF-UHFFFAOYSA-N -1 3 349.434 3.008 20 30 EGEDHM Cc1ccc2c(c1)CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CC2 ZINC000597965644 460127145 /nfs/dbraw/zinc/12/71/45/460127145.db2.gz MQKGDICCBJVCTQ-UHFFFAOYSA-N -1 3 349.434 3.102 20 30 EGEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000599330060 460230166 /nfs/dbraw/zinc/23/01/66/460230166.db2.gz USVZKEHVNGIZCV-IBGZPJMESA-N -1 3 341.842 3.428 20 30 EGEDHM N#Cc1sccc1N1CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000599463449 460258698 /nfs/dbraw/zinc/25/86/98/460258698.db2.gz WQXMHWPHZISHGZ-UHFFFAOYSA-N -1 3 333.844 3.301 20 30 EGEDHM N#Cc1ccc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc1[O-] ZINC000615475083 460335096 /nfs/dbraw/zinc/33/50/96/460335096.db2.gz IXOIJBSHOBVCQY-LJQANCHMSA-N -1 3 349.434 3.221 20 30 EGEDHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(CC#N)c2)on1 ZINC000619486825 460368356 /nfs/dbraw/zinc/36/83/56/460368356.db2.gz AKTXMRTZUKTNBK-UHFFFAOYSA-N -1 3 347.440 3.123 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCC2)s1 ZINC000619547260 460380756 /nfs/dbraw/zinc/38/07/56/460380756.db2.gz GWDMEGYWBLPZFV-UHFFFAOYSA-N -1 3 336.413 3.117 20 30 EGEDHM N#CC(=C([O-])c1cccc2ccncc21)c1nnc2n1CCCCC2 ZINC000647195395 461557605 /nfs/dbraw/zinc/55/76/05/461557605.db2.gz OJOQEMGBEVVTSH-HNNXBMFYSA-N -1 3 331.379 3.043 20 30 EGEDHM C=C[C@@H](CCC(=O)[O-])NCc1cn(C)nc1-c1cc2ccccc2o1 ZINC000669477927 461695734 /nfs/dbraw/zinc/69/57/34/461695734.db2.gz RXLRGQHYSMDNRU-HNNXBMFYSA-N -1 3 339.395 3.342 20 30 EGEDHM C=CCn1c(SCc2ncccc2[O-])nnc1-c1ccoc1C ZINC000647914811 461884124 /nfs/dbraw/zinc/88/41/24/461884124.db2.gz IWNDFYXMLITTIX-UHFFFAOYSA-N -1 3 328.397 3.425 20 30 EGEDHM C=CCC1([N-]S(=O)(=O)c2cc(OC)c(OC)cc2F)CCCC1 ZINC000657186833 461983703 /nfs/dbraw/zinc/98/37/03/461983703.db2.gz HVLAEJUODLJGJA-UHFFFAOYSA-N -1 3 343.420 3.010 20 30 EGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000346269681 535055816 /nfs/dbraw/zinc/05/58/16/535055816.db2.gz LNWDUJZQUISUTG-UHFFFAOYSA-N -1 3 333.395 3.128 20 30 EGEDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000175279025 535727464 /nfs/dbraw/zinc/72/74/64/535727464.db2.gz OUMCAQWNTDALAL-OLZOCXBDSA-N -1 3 344.889 3.164 20 30 EGEDHM Cc1c(Cl)cccc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000193820076 547216502 /nfs/dbraw/zinc/21/65/02/547216502.db2.gz PURLTIRFLSCVGY-ZDUSSCGKSA-N -1 3 328.803 3.456 20 30 EGEDHM N#Cc1csc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000678130206 549404797 /nfs/dbraw/zinc/40/47/97/549404797.db2.gz KAIQDUASKNCJQZ-UHFFFAOYSA-N -1 3 326.421 3.420 20 30 EGEDHM N#Cc1cc(F)ccc1COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000737703934 574666308 /nfs/dbraw/zinc/66/63/08/574666308.db2.gz GLNKTKXLAUSWTO-UHFFFAOYSA-N -1 3 329.722 3.110 20 30 EGEDHM N#Cc1cc(F)ccc1COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000737703934 574666310 /nfs/dbraw/zinc/66/63/10/574666310.db2.gz GLNKTKXLAUSWTO-UHFFFAOYSA-N -1 3 329.722 3.110 20 30 EGEDHM O=C1c2cccc([O-])c2CC1=Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000728158161 574722864 /nfs/dbraw/zinc/72/28/64/574722864.db2.gz VYYRQCNIVKETGD-SDQBBNPISA-N -1 3 346.342 3.333 20 30 EGEDHM CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1ccc([O-])c(F)c1 ZINC000729636219 574874675 /nfs/dbraw/zinc/87/46/75/574874675.db2.gz DAXNEWVWLWENOZ-UHFFFAOYSA-N -1 3 346.431 3.308 20 30 EGEDHM CC(=NNc1ccc(C)nn1)c1cc(Br)c(F)cc1[O-] ZINC000746577525 574948696 /nfs/dbraw/zinc/94/86/96/574948696.db2.gz VDBBYIHQJHNJRM-UHFFFAOYSA-N -1 3 339.168 3.228 20 30 EGEDHM CCN1CCC[C@H]1CNC(=S)[N-]c1ccccc1SCCC#N ZINC000730952975 575037129 /nfs/dbraw/zinc/03/71/29/575037129.db2.gz HFYPQVGMGRHTJF-AWEZNQCLSA-N -1 3 348.541 3.463 20 30 EGEDHM CCN(CC)c1ccc(/C=[NH+]\[C@@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC000737089539 576109870 /nfs/dbraw/zinc/10/98/70/576109870.db2.gz YRUKJDQDSDTODF-SBGXLDQMSA-N -1 3 340.423 3.353 20 30 EGEDHM COc1cccc([O-])c1/C=N\[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000739427554 576410632 /nfs/dbraw/zinc/41/06/32/576410632.db2.gz USKKHRWHMRRQPD-PFHZTYADSA-N -1 3 344.798 3.279 20 30 EGEDHM CCOC(=O)C1(C/N=C/c2cc(Br)ccc2[O-])CCC1 ZINC000740763826 576624143 /nfs/dbraw/zinc/62/41/43/576624143.db2.gz QVTQEDIGAJQLMY-RQZCQDPDSA-N -1 3 340.217 3.307 20 30 EGEDHM CC(C)(C)OC(=O)Cc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000743044774 576800635 /nfs/dbraw/zinc/80/06/35/576800635.db2.gz QSEIWPHCWKBKBL-UHFFFAOYSA-N -1 3 343.379 3.438 20 30 EGEDHM C=CCCOCC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000743809168 576816172 /nfs/dbraw/zinc/81/61/72/576816172.db2.gz OJLQIPHUEKQHIR-UHFFFAOYSA-N -1 3 342.233 3.096 20 30 EGEDHM Clc1cccc(C#CCSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000822586429 607466848 /nfs/dbraw/zinc/46/68/48/607466848.db2.gz YHPCVPLIJRTHQR-UHFFFAOYSA-N -1 3 327.800 3.059 20 30 EGEDHM Clc1cccc(C#CCSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000822586429 607466850 /nfs/dbraw/zinc/46/68/50/607466850.db2.gz YHPCVPLIJRTHQR-UHFFFAOYSA-N -1 3 327.800 3.059 20 30 EGEDHM CCC(CC)CN(CCC#N)Cc1cc(-c2nn[n-]n2)ccc1OC ZINC000825107590 607636595 /nfs/dbraw/zinc/63/65/95/607636595.db2.gz RDJCCRPYIUQAFF-UHFFFAOYSA-N -1 3 342.447 3.027 20 30 EGEDHM CCOc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821427286 606390651 /nfs/dbraw/zinc/39/06/51/606390651.db2.gz QOFBAEWJRVKAOE-SOFGYWHQSA-N -1 3 326.381 3.223 20 30 EGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C=C1/CC[C@H](C)C1 ZINC000819743852 606618740 /nfs/dbraw/zinc/61/87/40/606618740.db2.gz RBESHKDCKHEEKG-UZFBZYOGSA-N -1 3 337.427 3.128 20 30 EGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C=C1/CC[C@H](C)C1 ZINC000819743852 606618742 /nfs/dbraw/zinc/61/87/42/606618742.db2.gz RBESHKDCKHEEKG-UZFBZYOGSA-N -1 3 337.427 3.128 20 30 EGEDHM N#Cc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822832940 607126466 /nfs/dbraw/zinc/12/64/66/607126466.db2.gz JHKUYOWGMBMMOQ-UHFFFAOYSA-N -1 3 328.738 3.143 20 30 EGEDHM N#Cc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822832940 607126467 /nfs/dbraw/zinc/12/64/67/607126467.db2.gz JHKUYOWGMBMMOQ-UHFFFAOYSA-N -1 3 328.738 3.143 20 30 EGEDHM CCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825631510 607915494 /nfs/dbraw/zinc/91/54/94/607915494.db2.gz BVZGXMVVTBGTEP-ONNFQVAWSA-N -1 3 338.342 3.301 20 30 EGEDHM CCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825631510 607915495 /nfs/dbraw/zinc/91/54/95/607915495.db2.gz BVZGXMVVTBGTEP-ONNFQVAWSA-N -1 3 338.342 3.301 20 30 EGEDHM C=CCN(Cc1cccs1)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000823919963 608352401 /nfs/dbraw/zinc/35/24/01/608352401.db2.gz USVFINUKHKFMIC-UHFFFAOYSA-N -1 3 341.440 3.125 20 30 EGEDHM C=CCN(Cc1cccs1)Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000823919963 608352403 /nfs/dbraw/zinc/35/24/03/608352403.db2.gz USVFINUKHKFMIC-UHFFFAOYSA-N -1 3 341.440 3.125 20 30 EGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000826349967 608535967 /nfs/dbraw/zinc/53/59/67/608535967.db2.gz BIAVYLQCRPZMFN-STQMWFEESA-N -1 3 339.790 3.117 20 30 EGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000826349967 608535969 /nfs/dbraw/zinc/53/59/69/608535969.db2.gz BIAVYLQCRPZMFN-STQMWFEESA-N -1 3 339.790 3.117 20 30 EGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1c(F)cccc1F ZINC000823914186 608631243 /nfs/dbraw/zinc/63/12/43/608631243.db2.gz CVCYMPXGKCYMNB-UHFFFAOYSA-N -1 3 341.365 3.333 20 30 EGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1c(F)cccc1F ZINC000823914186 608631244 /nfs/dbraw/zinc/63/12/44/608631244.db2.gz CVCYMPXGKCYMNB-UHFFFAOYSA-N -1 3 341.365 3.333 20 30 EGEDHM C=CCN(Cc1ccc(Cl)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914338 608632464 /nfs/dbraw/zinc/63/24/64/608632464.db2.gz GRGBDFIAHXGSDQ-UHFFFAOYSA-N -1 3 329.791 3.301 20 30 EGEDHM Fc1cccc(C2CC(=NNCc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826376863 609373899 /nfs/dbraw/zinc/37/38/99/609373899.db2.gz WIBRICFZJLSCHS-UHFFFAOYSA-N -1 3 336.374 3.029 20 30 EGEDHM Fc1cccc(C2CC(=NNCc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826376863 609373901 /nfs/dbraw/zinc/37/39/01/609373901.db2.gz WIBRICFZJLSCHS-UHFFFAOYSA-N -1 3 336.374 3.029 20 30 EGEDHM COc1cc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(OC)cc1[O-] ZINC000122529140 1293416857 /nfs/dbraw/zinc/41/68/57/1293416857.db2.gz MLDAGZSAIVQILK-VOTSOKGWSA-N -1 3 329.308 3.214 20 30 EGEDHM N#Cc1ccccc1COc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000131783448 1293700698 /nfs/dbraw/zinc/70/06/98/1293700698.db2.gz LZGLQROZZGTECK-CMDGGOBGSA-N -1 3 329.359 3.391 20 30 EGEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCN(c2ccccn2)C1 ZINC000133113926 1293737093 /nfs/dbraw/zinc/73/70/93/1293737093.db2.gz UWDCXNHRXVLFDH-FVOVHSBVSA-N -1 3 346.228 3.248 20 30 EGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnc(-c2ccccc2)nc1 ZINC000159767187 1294246321 /nfs/dbraw/zinc/24/63/21/1294246321.db2.gz CKPWNLZTODODOU-KRWDZBQOSA-N -1 3 342.358 3.105 20 30 EGEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cccnc1 ZINC000193480386 1295874599 /nfs/dbraw/zinc/87/45/99/1295874599.db2.gz ODXOVZMLAFDSEG-CYBMUJFWSA-N -1 3 334.162 3.350 20 30 EGEDHM Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1NS(C)(=O)=O ZINC000255160611 1296506270 /nfs/dbraw/zinc/50/62/70/1296506270.db2.gz RBSPBSZFPNXDCH-UHFFFAOYSA-N -1 3 338.816 3.476 20 30 EGEDHM Cc1ncc(CO)c(/C=N/CC2(c3ccc(F)cc3)CCC2)c1[O-] ZINC000749453821 1299217273 /nfs/dbraw/zinc/21/72/73/1299217273.db2.gz WCYCISPRAPGLQY-UFFVCSGVSA-N -1 3 328.387 3.268 20 30 EGEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCC[C@H](C(F)(F)F)C2)c1[O-] ZINC000752152490 1299703482 /nfs/dbraw/zinc/70/34/82/1299703482.db2.gz JSETYLFTVJMYEE-OKPBVZLESA-N -1 3 330.350 3.376 20 30 EGEDHM [O-]c1cccc(Cl)c1C=NN1C(=S)N=NC1c1ccccc1 ZINC000755512506 1300351424 /nfs/dbraw/zinc/35/14/24/1300351424.db2.gz OAPJIUXECCRMIM-UHFFFAOYSA-N -1 3 330.800 3.475 20 30 EGEDHM CCn1c(=O)c2ccccc2nc1NN=Cc1c([O-])cccc1Cl ZINC000755605049 1300365743 /nfs/dbraw/zinc/36/57/43/1300365743.db2.gz VPRQHTVMPJMYJD-UHFFFAOYSA-N -1 3 342.786 3.221 20 30 EGEDHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000762573720 1301706059 /nfs/dbraw/zinc/70/60/59/1301706059.db2.gz FPZDQWZHUFLLPU-UHFFFAOYSA-N -1 3 349.843 3.074 20 30 EGEDHM N#Cc1cccc(OCCCOC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000763918353 1301980617 /nfs/dbraw/zinc/98/06/17/1301980617.db2.gz AKRBXHSCABCUTP-UHFFFAOYSA-N -1 3 337.335 3.167 20 30 EGEDHM N#Cc1cccc(OCCCOC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000763918353 1301980624 /nfs/dbraw/zinc/98/06/24/1301980624.db2.gz AKRBXHSCABCUTP-UHFFFAOYSA-N -1 3 337.335 3.167 20 30 EGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC(C)(C)Oc3cc(F)ccc32)c1[O-] ZINC000764414344 1302059687 /nfs/dbraw/zinc/05/96/87/1302059687.db2.gz RBOAFHZBKMWNOH-MITZEZRWSA-N -1 3 344.386 3.448 20 30 EGEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1ccccc1Cl ZINC000774308879 1303796853 /nfs/dbraw/zinc/79/68/53/1303796853.db2.gz HXKUOYVELSBHOB-UHFFFAOYSA-N -1 3 334.694 3.156 20 30 EGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C)nc(Cl)c2)c1 ZINC000778605527 1304472767 /nfs/dbraw/zinc/47/27/67/1304472767.db2.gz RHVXAEOVEOPZHH-AWEZNQCLSA-N -1 3 343.770 3.013 20 30 EGEDHM N#CCCN(C(=O)CCC(=O)[N-]OC1CCCCC1)c1ccccc1 ZINC000779322403 1304556267 /nfs/dbraw/zinc/55/62/67/1304556267.db2.gz OMHLQMGWKKBIIZ-UHFFFAOYSA-N -1 3 343.427 3.094 20 30 EGEDHM C=C[C@@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000781583116 1304844748 /nfs/dbraw/zinc/84/47/48/1304844748.db2.gz FUJLJYZURFIJRZ-GFCCVEGCSA-N -1 3 349.383 3.358 20 30 EGEDHM O=C1[C@H](/N=C/c2cc(Cl)ccc2[O-])CCCN1Cc1ccccn1 ZINC000783682763 1305128625 /nfs/dbraw/zinc/12/86/25/1305128625.db2.gz ZUFNVVPBCSLOGX-BTZNOAQDSA-N -1 3 343.814 3.051 20 30 EGEDHM N#CCOc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000786783542 1305628880 /nfs/dbraw/zinc/62/88/80/1305628880.db2.gz WILIWDRPSKIPGE-UHFFFAOYSA-N -1 3 328.343 3.395 20 30 EGEDHM CCOc1ccc(C(C)=O)cc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000787943427 1305826295 /nfs/dbraw/zinc/82/62/95/1305826295.db2.gz KHOQJEPHMBIDLI-UHFFFAOYSA-N -1 3 339.347 3.222 20 30 EGEDHM COc1ccc(C=NNc2ncccc2C)c(Br)c1[O-] ZINC000790187445 1306274457 /nfs/dbraw/zinc/27/44/57/1306274457.db2.gz VOUQUKNXGAVKPE-UHFFFAOYSA-N -1 3 336.189 3.313 20 30 EGEDHM [O-]c1ccc(F)c(C=NNc2cncc(Br)c2)c1F ZINC000794523291 1309541021 /nfs/dbraw/zinc/54/10/21/1309541021.db2.gz HCCDBFNTZWNNNL-UHFFFAOYSA-N -1 3 328.116 3.274 20 30 EGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000794833810 1309605752 /nfs/dbraw/zinc/60/57/52/1309605752.db2.gz QBDGNLWUFRFZMV-OOPCHKLYSA-N -1 3 328.387 3.482 20 30 EGEDHM C=CC[C@@H](CCc1ccccc1)OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000797563929 1310211190 /nfs/dbraw/zinc/21/11/90/1310211190.db2.gz IEGOLBJPXATCOK-KRWDZBQOSA-N -1 3 340.423 3.462 20 30 EGEDHM O=C(CCc1cncnc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096077 1317234105 /nfs/dbraw/zinc/23/41/05/1317234105.db2.gz QFPBYWPAWWGKLP-UHFFFAOYSA-N -1 3 326.183 3.134 20 30 EGEDHM COc1cccc2c1OCC(C(=O)N([O-])Cc1ccc(F)cc1)=C2 ZINC000901374514 1317412658 /nfs/dbraw/zinc/41/26/58/1317412658.db2.gz LNUYGJRXBXYCNL-UHFFFAOYSA-N -1 3 329.327 3.028 20 30 EGEDHM CS(=O)(=O)c1ccccc1NN=Cc1ccc2ccccc2c1[O-] ZINC000814846642 1318829673 /nfs/dbraw/zinc/82/96/73/1318829673.db2.gz XCPMENVEYMWHSJ-UHFFFAOYSA-N -1 3 340.404 3.395 20 30 EGEDHM CNC(=O)c1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1 ZINC000912859520 1318945733 /nfs/dbraw/zinc/94/57/33/1318945733.db2.gz ZTTGDAGNERQWLG-YWEFTTLKSA-N -1 3 325.339 3.274 20 30 EGEDHM Cc1ncc(CO)c(/C=N\CCc2ccc(OC(C)C)cc2)c1[O-] ZINC000915111256 1319423624 /nfs/dbraw/zinc/42/36/24/1319423624.db2.gz FCYDXHZEROFAKN-JAIQZWGSSA-N -1 3 328.412 3.037 20 30 EGEDHM Cc1cc(=O)[n-]c(N=NC2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000915932664 1319565362 /nfs/dbraw/zinc/56/53/62/1319565362.db2.gz YKGFDDBEKSFXAX-UHFFFAOYSA-N -1 3 345.834 3.208 20 30 EGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000916907535 1319722345 /nfs/dbraw/zinc/72/23/45/1319722345.db2.gz BSLPHUIWRHKFEC-GFCCVEGCSA-N -1 3 343.726 3.209 20 30 EGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000824232279 1320240178 /nfs/dbraw/zinc/24/01/78/1320240178.db2.gz HWUIDUVLPLIVDY-SNVBAGLBSA-N -1 3 341.433 3.045 20 30 EGEDHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1 ZINC000826013718 1320378108 /nfs/dbraw/zinc/37/81/08/1320378108.db2.gz QOCRZXWWBFRPJP-PXAZEXFGSA-N -1 3 349.381 3.325 20 30 EGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCc3cc(F)c(F)c(F)c32)c1[O-] ZINC000840711361 1321131847 /nfs/dbraw/zinc/13/18/47/1321131847.db2.gz YTTZEKFRYVWXTD-HHQOFFSRSA-N -1 3 336.313 3.112 20 30 EGEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066181602 1352997234 /nfs/dbraw/zinc/99/72/34/1352997234.db2.gz SUCFCICUTIYQBH-OAHLLOKOSA-N -1 3 344.455 3.105 20 30 EGEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(OCC2CC2)cc1F ZINC001185861023 1387818496 /nfs/dbraw/zinc/81/84/96/1387818496.db2.gz PSQWYMZPSBEZSZ-UHFFFAOYSA-N -1 3 343.358 3.054 20 30 EGEDHM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189456534 1367027188 /nfs/dbraw/zinc/02/71/88/1367027188.db2.gz YXTLVEXPYRLBNW-UHFFFAOYSA-N -1 3 340.326 3.226 20 30 EGEDHM C[C@@H]1CCCN(c2cc(C(=O)Nc3ccc([O-])c(C#N)c3)ccn2)C1 ZINC001189631174 1367072767 /nfs/dbraw/zinc/07/27/67/1367072767.db2.gz NSQUSVZCASQZBR-CYBMUJFWSA-N -1 3 336.395 3.147 20 30 EGEDHM C=C1CC=C(F)C=C1[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC001189634643 1367074048 /nfs/dbraw/zinc/07/40/48/1367074048.db2.gz FTOPBPMFXSZOLE-UHFFFAOYSA-N -1 3 329.780 3.324 20 30 EGEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC001190617335 1367310202 /nfs/dbraw/zinc/31/02/02/1367310202.db2.gz GUYDLXODTNBHEK-UHFFFAOYSA-N -1 3 346.170 3.200 20 30 EGEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCCc3ccccc32)c1 ZINC001190681828 1367327281 /nfs/dbraw/zinc/32/72/81/1367327281.db2.gz OGHRMNPPAYHZOK-QGZVFWFLSA-N -1 3 344.411 3.443 20 30 EGEDHM C=CCC1(S(=O)(=O)[N-]c2ccc(C(=O)C(F)(F)F)cc2)CC1 ZINC001190806956 1367354876 /nfs/dbraw/zinc/35/48/76/1367354876.db2.gz YPVVJVIIFFCTCW-UHFFFAOYSA-N -1 3 333.331 3.282 20 30 EGEDHM Cc1noc([N-]C(=O)c2ccc(F)c(F)c2Br)c1C#N ZINC001191866821 1367619627 /nfs/dbraw/zinc/61/96/27/1367619627.db2.gz KZDKGSGAGDKKFJ-UHFFFAOYSA-N -1 3 342.099 3.148 20 30 EGEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cnccc1-c1ccccc1 ZINC001196484185 1368625681 /nfs/dbraw/zinc/62/56/81/1368625681.db2.gz KBMMNBYBEJOQQA-UHFFFAOYSA-N -1 3 332.363 3.188 20 30 EGEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3nsc4ncccc34)no2)c1 ZINC001196759196 1368677599 /nfs/dbraw/zinc/67/75/99/1368677599.db2.gz GMZLCFLCHNKAGA-UHFFFAOYSA-N -1 3 347.359 3.470 20 30 EGEDHM N#Cc1ccc([O-])c(Nc2ccc(C3(N4CCOCC4)CC3)cc2)c1 ZINC001205817792 1370881806 /nfs/dbraw/zinc/88/18/06/1370881806.db2.gz OGPHAKYBMZWASP-UHFFFAOYSA-N -1 3 335.407 3.329 20 30 EGEDHM CCCCCCCCS(=O)(=O)[N-]c1ccc(C(N)=O)c(F)c1 ZINC001188017855 1388216743 /nfs/dbraw/zinc/21/67/43/1388216743.db2.gz HMAYWGFCJJYPEF-UHFFFAOYSA-N -1 3 330.425 3.027 20 30 EGEDHM N#Cc1ccc(Nc2cc(F)c([O-])cc2F)c(Br)n1 ZINC001215570930 1373213661 /nfs/dbraw/zinc/21/36/61/1373213661.db2.gz RGHPOBACDVYZHL-UHFFFAOYSA-N -1 3 326.100 3.443 20 30 EGEDHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1[C@H]2Oc1cccc(/C=N/[O-])c1 ZINC001226117147 1375206316 /nfs/dbraw/zinc/20/63/16/1375206316.db2.gz YPXALLFRYMEABB-GPINNWPOSA-N -1 3 332.400 3.271 20 30 EGEDHM N#C[C@H](Oc1[n-]c(=O)nc2nc(Cl)ccc21)c1ccccc1F ZINC001226554856 1375280582 /nfs/dbraw/zinc/28/05/82/1375280582.db2.gz YVHZPWRAMVUZKV-NSHDSACASA-N -1 3 330.706 3.167 20 30 EGEDHM Cn1ccc(O[C@@H](/C(=N\[O-])c2ccccc2)c2ccccc2)cc1=O ZINC001229674168 1375875169 /nfs/dbraw/zinc/87/51/69/1375875169.db2.gz SKTCBAOCVBQIHZ-GOBJLOIFSA-N -1 3 334.375 3.384 20 30 EGEDHM N#Cc1cc(F)cc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c1 ZINC001189101012 1388458670 /nfs/dbraw/zinc/45/86/70/1388458670.db2.gz PNTYRRGHRZTFOH-UHFFFAOYSA-N -1 3 338.791 3.335 20 30 EGEDHM CCCCOC[C@@H](C)OC[C@@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233802960 1376721761 /nfs/dbraw/zinc/72/17/61/1376721761.db2.gz KJFKQMJZJCGTAF-ACIMENLPSA-N -1 3 339.432 3.492 20 30 EGEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1F ZINC001259091812 1377121145 /nfs/dbraw/zinc/12/11/45/1377121145.db2.gz YLCOEXRMGSPCSX-UHFFFAOYSA-N -1 3 348.252 3.055 20 30 EGEDHM C=CCOC[C@@H]1CCC[C@@]12CN(Cc1cccc(F)c1[O-])CCO2 ZINC001138127283 1377681777 /nfs/dbraw/zinc/68/17/77/1377681777.db2.gz VTKFHVUUNALMNM-QFBILLFUSA-N -1 3 335.419 3.105 20 30 EGEDHM N#Cc1ccccc1OC1CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC001140503809 1378074723 /nfs/dbraw/zinc/07/47/23/1378074723.db2.gz NTOIEVBIIYQKAH-UHFFFAOYSA-N -1 3 336.391 3.300 20 30 EGEDHM C[C@H]1C[C@H](NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)c2ccccc21 ZINC001154558864 1380305497 /nfs/dbraw/zinc/30/54/97/1380305497.db2.gz AXXSJXCLBHXPKZ-SGTLLEGYSA-N -1 3 343.386 3.378 20 30 EGEDHM Cc1c(C(=O)Nc2ccc([O-])c(C#N)c2)nc2c(Cl)cccn12 ZINC001155448089 1380455052 /nfs/dbraw/zinc/45/50/52/1380455052.db2.gz FFXXLNNHDXNANZ-UHFFFAOYSA-N -1 3 326.743 3.126 20 30 EGEDHM [O-]N=C(Nc1ncnc2c1CCC2)c1ccc(OC(F)(F)F)cc1 ZINC001155909062 1380504606 /nfs/dbraw/zinc/50/46/06/1380504606.db2.gz HDDUIWMRKIOZNS-UHFFFAOYSA-N -1 3 338.289 3.112 20 30 EGEDHM [O-]N=C(Nc1cc2c(nn1)CCC2)c1ccc(OC(F)(F)F)cc1 ZINC001155914445 1380505256 /nfs/dbraw/zinc/50/52/56/1380505256.db2.gz QKKYOTSECYVIQZ-UHFFFAOYSA-N -1 3 338.289 3.112 20 30 EGEDHM N#Cc1cc(NC(=O)c2n[nH]c3cc(C(F)(F)F)ccc32)ccc1[O-] ZINC001156498317 1380584682 /nfs/dbraw/zinc/58/46/82/1380584682.db2.gz DUCWUKQPGHGHIX-UHFFFAOYSA-N -1 3 346.268 3.411 20 30 EGEDHM CCc1cncnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163765788 1383120069 /nfs/dbraw/zinc/12/00/69/1383120069.db2.gz YKFQTTVUUPPAPP-UHFFFAOYSA-N -1 3 326.278 3.186 20 30 EGEDHM N#CCc1nccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527151 1383930111 /nfs/dbraw/zinc/93/01/11/1383930111.db2.gz DMPWIRBDOXLDIN-UHFFFAOYSA-N -1 3 325.759 3.062 20 30 EGEDHM Cc1c(Cl)cc(Br)cc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171366030 1384503184 /nfs/dbraw/zinc/50/31/84/1384503184.db2.gz QSZNKZWHRPZSDF-KGFZYKRKSA-N -1 3 333.613 3.059 20 30 EGEDHM Cc1cccc2nc(-c3ccccc3)nc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)c12 ZINC001171363562 1384503303 /nfs/dbraw/zinc/50/33/03/1384503303.db2.gz GUPFQTRUBBNFRW-GUYCJALGSA-N -1 3 348.406 3.253 20 30 EGEDHM C=CCC[C@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001336218248 1389039118 /nfs/dbraw/zinc/03/91/18/1389039118.db2.gz OGCWQWPKMXHQNI-HNNXBMFYSA-N -1 3 327.428 3.166 20 30 EGEDHM C=CCC[C@@H](NC(=O)CCc1c(C)nc[n-]c1=O)c1ccccc1 ZINC001340766332 1390362442 /nfs/dbraw/zinc/36/24/42/1390362442.db2.gz QABDODVPQSHYRW-QGZVFWFLSA-N -1 3 325.412 3.247 20 30 EGEDHM CCn1ncc(C([O-])=C(C#N)c2nc3c(cccc3Cl)[nH]2)c1C ZINC001345673345 1390874769 /nfs/dbraw/zinc/87/47/69/1390874769.db2.gz MDNILMWNYYBUOD-SNVBAGLBSA-N -1 3 327.775 3.231 20 30 EGEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(F)c1F ZINC000823958360 946527606 /nfs/dbraw/zinc/52/76/06/946527606.db2.gz LCQFDLWLKXIGOW-UHFFFAOYSA-N -1 3 349.732 3.029 20 30 EGEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2ccc(Cl)cc21 ZINC000826475553 948374963 /nfs/dbraw/zinc/37/49/63/948374963.db2.gz JRTARELMGCGKBR-VMPITWQZSA-N -1 3 344.783 3.240 20 30 EGEDHM C#CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC000903906649 981031745 /nfs/dbraw/zinc/03/17/45/981031745.db2.gz MLHLLKWCJQOILR-GFCCVEGCSA-N -1 3 336.229 3.383 20 30 EGEDHM CC(C)(C)[C@@H](CC(=O)[O-])NCc1ccc(Br)cc1C#N ZINC001589704976 987817100 /nfs/dbraw/zinc/81/71/00/987817100.db2.gz HWKBLVSRVQTLGZ-CYBMUJFWSA-N -1 3 339.233 3.300 20 30 EGEDHM C[C@H](NCc1ccc(F)c(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593298800 994717430 /nfs/dbraw/zinc/71/74/30/994717430.db2.gz MUJCCQSISFRLKK-LBPRGKRZSA-N -1 3 328.343 3.012 20 30 EGEDHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1C#N ZINC001599571353 998370546 /nfs/dbraw/zinc/37/05/46/998370546.db2.gz QMMLBIAEWINMDA-INIZCTEOSA-N -1 3 330.771 3.136 20 30 EGEDHM N#Cc1cccc(CN[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])c1F ZINC001601123002 1126222093 /nfs/dbraw/zinc/22/20/93/1126222093.db2.gz LHSHLVGNKDQMIB-INIZCTEOSA-N -1 3 338.338 3.229 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCCC(C)(C)C ZINC000104440167 219387807 /nfs/dbraw/zinc/38/78/07/219387807.db2.gz RMVFWECIOWIWOQ-UHFFFAOYSA-N -1 3 331.460 3.129 20 30 EGEDHM Cc1csc([N-]C(=O)c2nnn(-c3cccc(C)c3)c2C)c1C#N ZINC000344919791 144242307 /nfs/dbraw/zinc/24/23/07/144242307.db2.gz DZBQOOGOEMDYCS-UHFFFAOYSA-N -1 3 337.408 3.378 20 30 EGEDHM Cc1cc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)c(F)cc1F ZINC000341086391 155149857 /nfs/dbraw/zinc/14/98/57/155149857.db2.gz CXDPKXNXHPKYKK-UHFFFAOYSA-N -1 3 348.374 3.113 20 30 EGEDHM CCc1cc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)ccc1[O-] ZINC000365873989 168054331 /nfs/dbraw/zinc/05/43/31/168054331.db2.gz FLRUBQYBTXWXGH-UHFFFAOYSA-N -1 3 346.390 3.146 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1c(F)cccc1F ZINC000489108436 269880269 /nfs/dbraw/zinc/88/02/69/269880269.db2.gz GAOXPFQUEDYTAM-VIFPVBQESA-N -1 3 340.326 3.015 20 30 EGEDHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000297186733 270042503 /nfs/dbraw/zinc/04/25/03/270042503.db2.gz WTPLJJMGTYTGBH-VIFPVBQESA-N -1 3 326.194 3.420 20 30 EGEDHM CC(C)CON=C([O-])Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000269670196 266337259 /nfs/dbraw/zinc/33/72/59/266337259.db2.gz NPIGPNITDBUJJZ-UHFFFAOYSA-N -1 3 330.413 3.315 20 30 EGEDHM CC(C)CO[N-]C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000269670196 266337264 /nfs/dbraw/zinc/33/72/64/266337264.db2.gz NPIGPNITDBUJJZ-UHFFFAOYSA-N -1 3 330.413 3.315 20 30 EGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448668794 267014034 /nfs/dbraw/zinc/01/40/34/267014034.db2.gz VNYOXAHTSSHOQK-UHFFFAOYSA-N -1 3 326.371 3.384 20 30 EGEDHM C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CCN1Cc1ccccc1 ZINC000188623065 267091718 /nfs/dbraw/zinc/09/17/18/267091718.db2.gz DQSKYBBCHALWHD-DNVCBOLYSA-N -1 3 349.434 3.047 20 30 EGEDHM N#Cc1ccc(CN[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000363264866 268076418 /nfs/dbraw/zinc/07/64/18/268076418.db2.gz SVVYPMPCEVFMQH-HNNXBMFYSA-N -1 3 345.830 3.264 20 30 EGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c(F)c1 ZINC000194684036 268161707 /nfs/dbraw/zinc/16/17/07/268161707.db2.gz LIKRBXCTJGKTGS-UHFFFAOYSA-N -1 3 342.754 3.432 20 30 EGEDHM N#Cc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)ccc1Br ZINC000417025960 268189557 /nfs/dbraw/zinc/18/95/57/268189557.db2.gz AOOPCHHTMIDWHF-UHFFFAOYSA-N -1 3 345.200 3.306 20 30 EGEDHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000288535795 276225072 /nfs/dbraw/zinc/22/50/72/276225072.db2.gz UUBKFBJZJSKBHU-CQSZACIVSA-N -1 3 339.370 3.176 20 30 EGEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc([O-])cc1F ZINC000183247422 294922030 /nfs/dbraw/zinc/92/20/30/294922030.db2.gz PXOBKJGOANTOIT-UHFFFAOYSA-N -1 3 344.342 3.209 20 30 EGEDHM Cc1cccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c1C#N ZINC000156326166 302018058 /nfs/dbraw/zinc/01/80/58/302018058.db2.gz HOQMFRGVVTXLBT-NEPJUHHUSA-N -1 3 346.374 3.266 20 30 EGEDHM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1F ZINC000123728428 307542071 /nfs/dbraw/zinc/54/20/71/307542071.db2.gz FLTHPNOPWSJUMS-UHFFFAOYSA-N -1 3 340.763 3.160 20 30 EGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccnc(OC2CCC2)c1 ZINC000180774315 455243328 /nfs/dbraw/zinc/24/33/28/455243328.db2.gz VOTSFRMGCTXQEP-HNNXBMFYSA-N -1 3 346.390 3.390 20 30 EGEDHM CC(C)OC(=O)C[C@H](/N=C/c1ccc(O)c([O-])c1O)c1ccccc1 ZINC000016937067 453624402 /nfs/dbraw/zinc/62/44/02/453624402.db2.gz IVEWTUVELAWALW-BBJIBYMTSA-N -1 3 343.379 3.305 20 30 EGEDHM CCOc1cc(C(=O)[N-]c2sccc2C#N)c([N+](=O)[O-])cc1OC ZINC000026768748 453805419 /nfs/dbraw/zinc/80/54/19/453805419.db2.gz PLIAGVJDUVWLPJ-UHFFFAOYSA-N -1 3 347.352 3.188 20 30 EGEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(OC(F)(F)F)cc2)c1[O-] ZINC000027067438 453810208 /nfs/dbraw/zinc/81/02/08/453810208.db2.gz ODBMNTLMCYYKPN-DNTJNYDQSA-N -1 3 340.301 3.106 20 30 EGEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000088547181 454111599 /nfs/dbraw/zinc/11/15/99/454111599.db2.gz QVSDDMBZWHIBJN-UHFFFAOYSA-N -1 3 346.717 3.430 20 30 EGEDHM CCc1cccc(C(=O)Nc2ncccc2OCCCC#N)c1[O-] ZINC000094092502 454186268 /nfs/dbraw/zinc/18/62/68/454186268.db2.gz BTIDMSZCMTVBBX-UHFFFAOYSA-N -1 3 325.368 3.284 20 30 EGEDHM O=C(Nc1cccc(C/N=C/c2ccc(O)c([O-])c2O)c1)C1CCC1 ZINC000119409345 454193017 /nfs/dbraw/zinc/19/30/17/454193017.db2.gz NAZDAYZEIFFDRS-RGVLZGJSSA-N -1 3 340.379 3.161 20 30 EGEDHM Cc1cc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1Cl ZINC000060944425 454321736 /nfs/dbraw/zinc/32/17/36/454321736.db2.gz PANYFQRLJHNWKL-UHFFFAOYSA-N -1 3 344.798 3.363 20 30 EGEDHM C[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)C(=O)c1cccc(F)c1 ZINC000073028567 454384062 /nfs/dbraw/zinc/38/40/62/454384062.db2.gz ILKYSNLDQHQIPN-SSDOTTSWSA-N -1 3 344.268 3.460 20 30 EGEDHM C[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)C(=O)c1cccc(F)c1 ZINC000073028567 454384067 /nfs/dbraw/zinc/38/40/67/454384067.db2.gz ILKYSNLDQHQIPN-SSDOTTSWSA-N -1 3 344.268 3.460 20 30 EGEDHM CCOc1ccc(C#N)cc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000073054682 454387862 /nfs/dbraw/zinc/38/78/62/454387862.db2.gz RFOLDBDYVWXENG-UHFFFAOYSA-N -1 3 334.335 3.259 20 30 EGEDHM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000097176431 454420317 /nfs/dbraw/zinc/42/03/17/454420317.db2.gz AAGWCZVBERJZGP-UHFFFAOYSA-N -1 3 332.257 3.408 20 30 EGEDHM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000097176431 454420324 /nfs/dbraw/zinc/42/03/24/454420324.db2.gz AAGWCZVBERJZGP-UHFFFAOYSA-N -1 3 332.257 3.408 20 30 EGEDHM O=C(Cc1ccc(/N=C/c2ccccc2[O-])cc1)N1CCSCC1 ZINC000121489418 454441412 /nfs/dbraw/zinc/44/14/12/454441412.db2.gz GDXABLKCYAQATH-XSFVSMFZSA-N -1 3 340.448 3.261 20 30 EGEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1SCCc2ccccc21 ZINC000079700710 454466086 /nfs/dbraw/zinc/46/60/86/454466086.db2.gz ZDAUCLCUQQSKLU-VIFPVBQESA-N -1 3 328.319 3.442 20 30 EGEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1SCCc2ccccc21 ZINC000079700710 454466089 /nfs/dbraw/zinc/46/60/89/454466089.db2.gz ZDAUCLCUQQSKLU-VIFPVBQESA-N -1 3 328.319 3.442 20 30 EGEDHM O=C(Cc1cccc2cccnc21)Nc1nnc(-c2ccccn2)[n-]1 ZINC000064372339 454477177 /nfs/dbraw/zinc/47/71/77/454477177.db2.gz VHLZAWWPACQYCN-UHFFFAOYSA-N -1 3 330.351 3.246 20 30 EGEDHM O=C(Cc1cccc2cccnc21)Nc1nc(-c2ccccn2)n[n-]1 ZINC000064372339 454477179 /nfs/dbraw/zinc/47/71/79/454477179.db2.gz VHLZAWWPACQYCN-UHFFFAOYSA-N -1 3 330.351 3.246 20 30 EGEDHM O=C(Cc1cccc2cccnc21)Nc1n[n-]c(-c2ccccn2)n1 ZINC000064372339 454477182 /nfs/dbraw/zinc/47/71/82/454477182.db2.gz VHLZAWWPACQYCN-UHFFFAOYSA-N -1 3 330.351 3.246 20 30 EGEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cn1 ZINC000123066474 454598050 /nfs/dbraw/zinc/59/80/50/454598050.db2.gz WLMUCMSKNUPWBZ-CQSZACIVSA-N -1 3 334.379 3.246 20 30 EGEDHM O=C(CCCOCCc1ccccc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000051266535 454615140 /nfs/dbraw/zinc/61/51/40/454615140.db2.gz GPMIGEMOHGERCY-UHFFFAOYSA-N -1 3 342.321 3.451 20 30 EGEDHM O=C(CCCOCCc1ccccc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000051266535 454615145 /nfs/dbraw/zinc/61/51/45/454615145.db2.gz GPMIGEMOHGERCY-UHFFFAOYSA-N -1 3 342.321 3.451 20 30 EGEDHM CCc1cc(C#N)c([N-]C(=O)c2cn(-c3ccc(C)cc3)nn2)s1 ZINC000126818185 454920451 /nfs/dbraw/zinc/92/04/51/454920451.db2.gz JXHYBYCPWUNBIN-UHFFFAOYSA-N -1 3 337.408 3.324 20 30 EGEDHM N#Cc1ccc(Br)c(C[S@@](=O)c2cccc([O-])c2)c1 ZINC000191625905 455504304 /nfs/dbraw/zinc/50/43/04/455504304.db2.gz NDTUDTYEYPPKKD-LJQANCHMSA-N -1 3 336.210 3.334 20 30 EGEDHM N#Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1C(F)(F)F ZINC000161233015 455550530 /nfs/dbraw/zinc/55/05/30/455550530.db2.gz ZWBTXEVQRVQMQT-GFCCVEGCSA-N -1 3 329.278 3.157 20 30 EGEDHM N#Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1C(F)(F)F ZINC000161233015 455550531 /nfs/dbraw/zinc/55/05/31/455550531.db2.gz ZWBTXEVQRVQMQT-GFCCVEGCSA-N -1 3 329.278 3.157 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCC2)[C@H]1C(C)C ZINC000292264650 455612522 /nfs/dbraw/zinc/61/25/22/455612522.db2.gz GMKYGIBKLCRVEY-GOSISDBHSA-N -1 3 341.455 3.245 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(CC#N)cc1 ZINC000271852940 455786518 /nfs/dbraw/zinc/78/65/18/455786518.db2.gz IYGYOOJLUYSHQB-UHFFFAOYSA-N -1 3 349.390 3.018 20 30 EGEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1C(C)(C)C ZINC000194085273 455800594 /nfs/dbraw/zinc/80/05/94/455800594.db2.gz NJGVIAVVWLEODP-ZDUSSCGKSA-N -1 3 335.411 3.323 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000294605191 455821044 /nfs/dbraw/zinc/82/10/44/455821044.db2.gz GJTNVQPSCDNERQ-DLBZAZTESA-N -1 3 341.455 3.245 20 30 EGEDHM N#C[C@]1(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CC12CCCC2 ZINC000294957326 455833114 /nfs/dbraw/zinc/83/31/14/455833114.db2.gz MJWFTVHBYNEESD-KRWDZBQOSA-N -1 3 343.337 3.162 20 30 EGEDHM N#C[C@]1(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CC12CCCC2 ZINC000294957326 455833118 /nfs/dbraw/zinc/83/31/18/455833118.db2.gz MJWFTVHBYNEESD-KRWDZBQOSA-N -1 3 343.337 3.162 20 30 EGEDHM N#C[C@]1(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CC12CCCC2 ZINC000294957326 455833124 /nfs/dbraw/zinc/83/31/24/455833124.db2.gz MJWFTVHBYNEESD-KRWDZBQOSA-N -1 3 343.337 3.162 20 30 EGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000286458820 456047190 /nfs/dbraw/zinc/04/71/90/456047190.db2.gz OMOLQZOIEZCFJE-VIFPVBQESA-N -1 3 340.754 3.329 20 30 EGEDHM COc1ccc(CN(CCC#N)CC2CC2)c(Br)c1[O-] ZINC000273807565 456244427 /nfs/dbraw/zinc/24/44/27/456244427.db2.gz YKJIJBXERROAQV-UHFFFAOYSA-N -1 3 339.233 3.289 20 30 EGEDHM CC[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CCN1Cc1ccccc1 ZINC000189212870 456255783 /nfs/dbraw/zinc/25/57/83/456255783.db2.gz CLSRIFHYCXFANA-IBGZPJMESA-N -1 3 349.434 3.000 20 30 EGEDHM CCn1nc(C)c(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)n1 ZINC000297848229 456308022 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CCc1cnc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)s1 ZINC000825736311 947307485 /nfs/dbraw/zinc/30/74/85/947307485.db2.gz ZNPYUBFBQOEUGK-FLIBITNWSA-N -1 3 337.408 3.098 20 30 EGEDHM CCc1cnc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)s1 ZINC000825736311 947307495 /nfs/dbraw/zinc/30/74/95/947307495.db2.gz ZNPYUBFBQOEUGK-FLIBITNWSA-N -1 3 337.408 3.098 20 30 EGEDHM CC(C)c1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC001574419971 948791345 /nfs/dbraw/zinc/79/13/45/948791345.db2.gz MLXGJGSNVQMANT-UHFFFAOYSA-N -1 3 332.367 3.114 20 30 EGEDHM CC(C)c1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC001574419971 948791361 /nfs/dbraw/zinc/79/13/61/948791361.db2.gz MLXGJGSNVQMANT-UHFFFAOYSA-N -1 3 332.367 3.114 20 30 EGEDHM C#CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001588395104 958038191 /nfs/dbraw/zinc/03/81/91/958038191.db2.gz CGWUWBYTQWVOLP-SFHVURJKSA-N -1 3 327.355 3.143 20 30 EGEDHM C[C@@H]1CCCN(Cc2ccc(C#N)cc2Br)[C@H]1C(=O)[O-] ZINC001573726851 960414883 /nfs/dbraw/zinc/41/48/83/960414883.db2.gz 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CC(C)(CCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC001590670557 990372273 /nfs/dbraw/zinc/37/22/73/990372273.db2.gz ACTYZYAXBBGOLI-INIZCTEOSA-N -1 3 349.862 3.023 20 30 EGEDHM COc1ccc([C@@H](NCc2cc(C#N)cs2)C(=O)[O-])cc1Cl ZINC001599527053 997579531 /nfs/dbraw/zinc/57/95/31/997579531.db2.gz KSQFGDORBWUEFT-CQSZACIVSA-N -1 3 336.800 3.197 20 30 EGEDHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Cl ZINC001599558271 998135561 /nfs/dbraw/zinc/13/55/61/998135561.db2.gz CDDXINIEBVPIPU-QGZVFWFLSA-N -1 3 344.798 3.478 20 30 EGEDHM N#Cc1ccc(CN[C@H](Cc2cc3ccccc3o2)C(=O)[O-])c(F)c1 ZINC001601101917 1126222035 /nfs/dbraw/zinc/22/20/35/1126222035.db2.gz QKTAAVBPRJUJFM-QGZVFWFLSA-N -1 3 338.338 3.229 20 30 EGEDHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccs1 ZINC000055966958 214351039 /nfs/dbraw/zinc/35/10/39/214351039.db2.gz HKRZRWUSHGWWTB-OAHLLOKOSA-N -1 3 343.452 3.125 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1CCC(C)(C)CC1 ZINC000152861206 224023256 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N#Cc1ccc(F)c(CNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000346044733 164324825 /nfs/dbraw/zinc/32/48/25/164324825.db2.gz YUEHVSBREVTWMI-UHFFFAOYSA-N -1 3 330.334 3.181 20 30 EGEDHM N#Cc1nccnc1Sc1nnc([N-]c2ccccc2F)s1 ZINC000301152036 270043485 /nfs/dbraw/zinc/04/34/85/270043485.db2.gz DKEDQPKFZZIXJJ-UHFFFAOYSA-N -1 3 330.373 3.234 20 30 EGEDHM CCc1cccnc1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000273958131 267151994 /nfs/dbraw/zinc/15/19/94/267151994.db2.gz PVBCEAJQDBREMM-UHFFFAOYSA-N -1 3 349.394 3.068 20 30 EGEDHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000531417297 267181485 /nfs/dbraw/zinc/18/14/85/267181485.db2.gz MTMIVLUOHPLOHZ-KGLIPLIRSA-N -1 3 342.461 3.040 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)cc1Cl ZINC000508114894 268254562 /nfs/dbraw/zinc/25/45/62/268254562.db2.gz GFRRCXGPPCOHSI-UHFFFAOYSA-N -1 3 348.802 3.458 20 30 EGEDHM CSCCON=C([O-])Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000279954055 275381370 /nfs/dbraw/zinc/38/13/70/275381370.db2.gz ZFNIOCRMANTMOH-UHFFFAOYSA-N -1 3 348.453 3.022 20 30 EGEDHM CSCCO[N-]C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000279954055 275381371 /nfs/dbraw/zinc/38/13/71/275381371.db2.gz ZFNIOCRMANTMOH-UHFFFAOYSA-N -1 3 348.453 3.022 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000562399087 315828632 /nfs/dbraw/zinc/82/86/32/315828632.db2.gz TUHLGHUBFKPJKI-CTYIDZIISA-N -1 3 348.374 3.061 20 30 EGEDHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)o1 ZINC000563596732 316043791 /nfs/dbraw/zinc/04/37/91/316043791.db2.gz CIVZWCJXELVJQX-MEDUHNTESA-N -1 3 348.399 3.033 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)c(C(F)(F)F)c1 ZINC000571300676 317181005 /nfs/dbraw/zinc/18/10/05/317181005.db2.gz XWZIJUZQUUXCIV-NTZNESFSSA-N -1 3 344.358 3.044 20 30 EGEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Cl)c(OCC)c(OC)c1 ZINC000417626996 458366248 /nfs/dbraw/zinc/36/62/48/458366248.db2.gz OXNKMQOGCSEIIS-GFCCVEGCSA-N -1 3 327.808 3.256 20 30 EGEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1Br ZINC000016100023 453594436 /nfs/dbraw/zinc/59/44/36/453594436.db2.gz VPAAZQWJTPWTTG-UHFFFAOYSA-N -1 3 337.198 3.122 20 30 EGEDHM Cc1ccc(C)c(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000019679245 453658732 /nfs/dbraw/zinc/65/87/32/453658732.db2.gz SFCPEYWKFWEHTC-UHFFFAOYSA-N -1 3 338.407 3.327 20 30 EGEDHM CCCCCC[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000052819137 453846625 /nfs/dbraw/zinc/84/66/25/453846625.db2.gz KBCJLBITYZSKLS-ZDUSSCGKSA-N -1 3 331.460 3.271 20 30 EGEDHM CCCOc1ccc(/C=N/c2ccc3c(c2)N(C)C(=O)CO3)c([O-])c1 ZINC000174445939 455391600 /nfs/dbraw/zinc/39/16/00/455391600.db2.gz WPHVBPUQPIZLJQ-RGVLZGJSSA-N -1 3 340.379 3.287 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(OC(F)(F)F)cc2)nc(C)n1 ZINC000041574091 453972952 /nfs/dbraw/zinc/97/29/52/453972952.db2.gz HZWRAXAPDFJFPD-CYBMUJFWSA-N -1 3 335.285 3.482 20 30 EGEDHM N#CCCN(CCC#N)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094037382 454182941 /nfs/dbraw/zinc/18/29/41/454182941.db2.gz JASNPKLYLGSJLM-UHFFFAOYSA-N -1 3 333.391 3.253 20 30 EGEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc(NC(=O)C2CC2)c1 ZINC000078868613 454329537 /nfs/dbraw/zinc/32/95/37/454329537.db2.gz JPCKIIBBZXUTGH-UHFFFAOYSA-N -1 3 337.339 3.050 20 30 EGEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc(NC(=O)C2CC2)c1 ZINC000078868613 454329542 /nfs/dbraw/zinc/32/95/42/454329542.db2.gz JPCKIIBBZXUTGH-UHFFFAOYSA-N -1 3 337.339 3.050 20 30 EGEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(NC(=O)C2CC2)c1 ZINC000078868613 454329548 /nfs/dbraw/zinc/32/95/48/454329548.db2.gz JPCKIIBBZXUTGH-UHFFFAOYSA-N -1 3 337.339 3.050 20 30 EGEDHM C=CCNC(=O)c1ccc(NC(=O)c2c[n-]nc2-c2ccccc2)cc1 ZINC000079659701 454459933 /nfs/dbraw/zinc/45/99/33/454459933.db2.gz PBUWXYUCIDKHQK-UHFFFAOYSA-N -1 3 346.390 3.245 20 30 EGEDHM Cc1cccc(Cl)c1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000121694143 454466689 /nfs/dbraw/zinc/46/66/89/454466689.db2.gz YDPRUDDNAODIPN-UHFFFAOYSA-N -1 3 344.798 3.363 20 30 EGEDHM CC(=O)Nc1nc(C(=O)[N-]c2ccccc2SCCC#N)cs1 ZINC000108293548 454792217 /nfs/dbraw/zinc/79/22/17/454792217.db2.gz YRLVLBLUQWPFPW-UHFFFAOYSA-N -1 3 346.437 3.360 20 30 EGEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153457400 454795416 /nfs/dbraw/zinc/79/54/16/454795416.db2.gz ODWNLNFFBUZUAL-UHFFFAOYSA-N -1 3 346.818 3.344 20 30 EGEDHM N#C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1cccc(Cl)c1Cl ZINC000108819013 454813672 /nfs/dbraw/zinc/81/36/72/454813672.db2.gz MPTACQBBHAUEJQ-CYBMUJFWSA-N -1 3 346.177 3.259 20 30 EGEDHM N#Cc1ccc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)nc1 ZINC000110381125 454845812 /nfs/dbraw/zinc/84/58/12/454845812.db2.gz LUSTXSCTGPTABO-UHFFFAOYSA-N -1 3 341.783 3.377 20 30 EGEDHM Cc1ccc(Cl)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000126305736 454884297 /nfs/dbraw/zinc/88/42/97/454884297.db2.gz XCXJXJPGYKDOOT-CQSZACIVSA-N -1 3 328.803 3.456 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000151016941 454926511 /nfs/dbraw/zinc/92/65/11/454926511.db2.gz NLZFRTZDGLLRGO-VIFPVBQESA-N -1 3 340.326 3.015 20 30 EGEDHM CCC[C@H](C)[C@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000156131101 455084654 /nfs/dbraw/zinc/08/46/54/455084654.db2.gz KVTHZCMJFGJCRY-SCLBCKFNSA-N -1 3 343.471 3.223 20 30 EGEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1nc(C)cs1 ZINC000157285158 455180449 /nfs/dbraw/zinc/18/04/49/455180449.db2.gz ZZGNTAXIFXEZTF-CYBMUJFWSA-N -1 3 335.454 3.061 20 30 EGEDHM CCCC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCC1 ZINC000158471633 455306638 /nfs/dbraw/zinc/30/66/38/455306638.db2.gz NIISBLUWJZCACT-SFHVURJKSA-N -1 3 343.471 3.271 20 30 EGEDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000184750566 455441277 /nfs/dbraw/zinc/44/12/77/455441277.db2.gz BKHXZVFJINHMRQ-NEPJUHHUSA-N -1 3 344.889 3.164 20 30 EGEDHM COc1cc(C)cc(C(=O)Nc2ncccc2OCCCC#N)c1[O-] ZINC000271329614 455599165 /nfs/dbraw/zinc/59/91/65/455599165.db2.gz VNDGLBVRCCZGFB-UHFFFAOYSA-N -1 3 341.367 3.039 20 30 EGEDHM CC(C)(C#N)CCCC[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000277936361 455714092 /nfs/dbraw/zinc/71/40/92/455714092.db2.gz QCJFVNKIECMCFH-QHCPKHFHSA-N -1 3 349.378 3.170 20 30 EGEDHM CC(C)=CCC[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000295637831 455855760 /nfs/dbraw/zinc/85/57/60/455855760.db2.gz OODMTXZKAOEWFQ-CYBMUJFWSA-N -1 3 329.444 3.459 20 30 EGEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000279165475 455858984 /nfs/dbraw/zinc/85/89/84/455858984.db2.gz BMAGUSKELATESD-IUODEOHRSA-N -1 3 338.367 3.138 20 30 EGEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000279165475 455858989 /nfs/dbraw/zinc/85/89/89/455858989.db2.gz BMAGUSKELATESD-IUODEOHRSA-N -1 3 338.367 3.138 20 30 EGEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000279165475 455858993 /nfs/dbraw/zinc/85/89/93/455858993.db2.gz BMAGUSKELATESD-IUODEOHRSA-N -1 3 338.367 3.138 20 30 EGEDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC(C)(C)C#N ZINC000279307014 455862774 /nfs/dbraw/zinc/86/27/74/455862774.db2.gz AJLLPQWOICVLNF-UHFFFAOYSA-N -1 3 339.233 3.443 20 30 EGEDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@](C)(C#N)CC ZINC000285550136 455867840 /nfs/dbraw/zinc/86/78/40/455867840.db2.gz DVSHJCGBEIDGQD-HNNXBMFYSA-N -1 3 339.233 3.443 20 30 EGEDHM Cc1csc(C(C#N)=C([O-])c2cccc(Nc3cnn(C)c3)c2)n1 ZINC000342902793 456304456 /nfs/dbraw/zinc/30/44/56/456304456.db2.gz IDZRZPKHVQWWQC-OAHLLOKOSA-N -1 3 337.408 3.419 20 30 EGEDHM COc1ccc(Cn2ccc([N-]c3cc(C#N)ccc3[N+](=O)[O-])n2)cc1 ZINC000302446973 456342731 /nfs/dbraw/zinc/34/27/31/456342731.db2.gz RJFNRVCWLXMRJS-UHFFFAOYSA-N -1 3 349.350 3.463 20 30 EGEDHM COc1ccc(Cn2ccc([N-]c3ccc(C#N)cc3[N+](=O)[O-])n2)cc1 ZINC000302475535 456346040 /nfs/dbraw/zinc/34/60/40/456346040.db2.gz WQUGOYYOYJUUEJ-UHFFFAOYSA-N -1 3 349.350 3.463 20 30 EGEDHM Cc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(C4CC4)c3C#N)cs2)o1 ZINC000290599115 456378633 /nfs/dbraw/zinc/37/86/33/456378633.db2.gz REWWUFVPOQMDLF-UHFFFAOYSA-N -1 3 339.380 3.436 20 30 EGEDHM C=CCOc1cccc(CN[C@]2(C(=O)[O-])CCOc3ccccc32)c1 ZINC000340685768 456623601 /nfs/dbraw/zinc/62/36/01/456623601.db2.gz ALXOLGFYVKHUEF-HXUWFJFHSA-N -1 3 339.391 3.104 20 30 EGEDHM C[C@@H]1CN(c2ccc(/N=C/c3cccc([O-])c3O)cc2)C[C@@H](C)O1 ZINC000299452300 456697317 /nfs/dbraw/zinc/69/73/17/456697317.db2.gz SDEVRLIIGVUPMJ-UCYOQAJXSA-N -1 3 326.396 3.462 20 30 EGEDHM O=C(Nc1cccc([O-])c1F)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000328587203 456714756 /nfs/dbraw/zinc/71/47/56/456714756.db2.gz HIVBJFGQGVJKTI-GOSISDBHSA-N -1 3 344.386 3.317 20 30 EGEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000344954117 456876139 /nfs/dbraw/zinc/87/61/39/456876139.db2.gz JFFRQKPXYCQFGX-UHFFFAOYSA-N -1 3 334.363 3.314 20 30 EGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@]34CCOC4)c2)n1 ZINC000329613096 456915893 /nfs/dbraw/zinc/91/58/93/456915893.db2.gz OSTPNNLSSBMZSL-KXBFYZLASA-N -1 3 339.395 3.426 20 30 EGEDHM CC(C)c1ccc2ncc(C#N)c(N3CCc4nc[n-]c(=O)c4C3)c2c1 ZINC000329737425 456933564 /nfs/dbraw/zinc/93/35/64/456933564.db2.gz TUVKZAXABHXOQN-UHFFFAOYSA-N -1 3 345.406 3.288 20 30 EGEDHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000341884247 456985776 /nfs/dbraw/zinc/98/57/76/456985776.db2.gz GOOFTSNGPITNCO-QFYYESIMSA-N -1 3 348.811 3.012 20 30 EGEDHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2CCC(F)(F)CC2)c1 ZINC000330419560 457041266 /nfs/dbraw/zinc/04/12/66/457041266.db2.gz YSNIKVBYNSKWGN-UHFFFAOYSA-N -1 3 326.343 3.481 20 30 EGEDHM CCc1nc(C(=O)[N-]c2sccc2C#N)nn1-c1ccccc1F ZINC000356584051 457068990 /nfs/dbraw/zinc/06/89/90/457068990.db2.gz JKBJRZVUBNIODK-UHFFFAOYSA-N -1 3 341.371 3.154 20 30 EGEDHM Cc1ccc(-c2nnc(NC(=O)C[C@@H](CC#N)c3ccccc3)[n-]2)o1 ZINC000359840815 457134489 /nfs/dbraw/zinc/13/44/89/457134489.db2.gz JIIKTOYTSHODKT-CQSZACIVSA-N -1 3 335.367 3.399 20 30 EGEDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H](CC#N)c3ccccc3)n2)o1 ZINC000359840815 457134496 /nfs/dbraw/zinc/13/44/96/457134496.db2.gz JIIKTOYTSHODKT-CQSZACIVSA-N -1 3 335.367 3.399 20 30 EGEDHM Cc1ccc(-c2nc(NC(=O)C[C@@H](CC#N)c3ccccc3)n[n-]2)o1 ZINC000359840815 457134502 /nfs/dbraw/zinc/13/45/02/457134502.db2.gz JIIKTOYTSHODKT-CQSZACIVSA-N -1 3 335.367 3.399 20 30 EGEDHM Cc1ccc(C#N)c(Sc2n[n-]c(-c3cc(F)cc(F)c3)n2)n1 ZINC000342364867 457258359 /nfs/dbraw/zinc/25/83/59/457258359.db2.gz FRHWJVWGDOXRMS-UHFFFAOYSA-N -1 3 329.335 3.476 20 30 EGEDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000354668218 457307409 /nfs/dbraw/zinc/30/74/09/457307409.db2.gz HJUCFHGEOXFIGV-JTQLQIEISA-N -1 3 340.754 3.221 20 30 EGEDHM COC(=O)c1ccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)[n-]1 ZINC000340073781 457328050 /nfs/dbraw/zinc/32/80/50/457328050.db2.gz FACWWRDHNZQKCF-LLVKDONJSA-N -1 3 343.408 3.305 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c2cnn(C(C)C)c2n1 ZINC000347347571 457367241 /nfs/dbraw/zinc/36/72/41/457367241.db2.gz UNZVNXSCBIHPAU-HNNXBMFYSA-N -1 3 348.410 3.218 20 30 EGEDHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000369826709 457419194 /nfs/dbraw/zinc/41/91/94/457419194.db2.gz ZRSIVOSMTFVJEX-ZWKOTPCHSA-N -1 3 336.391 3.313 20 30 EGEDHM COc1cnc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)nc1 ZINC000410981994 457775578 /nfs/dbraw/zinc/77/55/78/457775578.db2.gz HUGQKSOTWCRPJF-NXEZZACHSA-N -1 3 342.424 3.356 20 30 EGEDHM N#CC(=C([O-])c1ccc2c(c1)OCO2)c1cc(C(F)(F)F)ccn1 ZINC000362129741 458033369 /nfs/dbraw/zinc/03/33/69/458033369.db2.gz NZKWUMGAGZAGMP-NSHDSACASA-N -1 3 334.253 3.319 20 30 EGEDHM N#CC(=C([O-])c1cn2ccccc2n1)c1cc(C(F)(F)F)ccn1 ZINC000362194141 458042074 /nfs/dbraw/zinc/04/20/74/458042074.db2.gz ZXQJNRXFUWTUCU-LLVKDONJSA-N -1 3 330.269 3.238 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1c(F)cccc1Cl ZINC000435440121 458147821 /nfs/dbraw/zinc/14/78/21/458147821.db2.gz ZPMMYCLCXVGNPX-QMMMGPOBSA-N -1 3 344.820 3.452 20 30 EGEDHM CC(C)[C@@H]1C[C@](NCc2cc(C#N)n(C)c2)(C(=O)[O-])c2ccccc21 ZINC000417575326 458365753 /nfs/dbraw/zinc/36/57/53/458365753.db2.gz FOSXPNUVFAWKNM-FXAWDEMLSA-N -1 3 337.423 3.110 20 30 EGEDHM C=C[C@H](CCC(=O)[O-])NCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000417622975 458366292 /nfs/dbraw/zinc/36/62/92/458366292.db2.gz IKIVUCCQZRCZKN-OAHLLOKOSA-N -1 3 333.819 3.343 20 30 EGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000450003449 458437249 /nfs/dbraw/zinc/43/72/49/458437249.db2.gz MSKMIOUWDOEKGL-AEFFLSMTSA-N -1 3 338.382 3.372 20 30 EGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000431639635 458600072 /nfs/dbraw/zinc/60/00/72/458600072.db2.gz MKQUULNKXNJGJO-YGUOUDRMSA-N -1 3 348.374 3.061 20 30 EGEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000494345923 458661767 /nfs/dbraw/zinc/66/17/67/458661767.db2.gz GAWMVDFLMTXYCX-CQSZACIVSA-N -1 3 348.390 3.453 20 30 EGEDHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C#N)C(C)C ZINC000463464660 458701917 /nfs/dbraw/zinc/70/19/17/458701917.db2.gz NXSMAGIBHYAZGC-LBPRGKRZSA-N -1 3 326.805 3.221 20 30 EGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000432261675 458706763 /nfs/dbraw/zinc/70/67/63/458706763.db2.gz FWQCVCIGZVEVPC-UHFFFAOYSA-N -1 3 326.418 3.092 20 30 EGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc2ccccc21 ZINC000443048773 459077655 /nfs/dbraw/zinc/07/76/55/459077655.db2.gz MNVAPYBDPHRSSC-UHFFFAOYSA-N -1 3 340.379 3.329 20 30 EGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N=c1cc2ccccn2[n-]1 ZINC000558463974 459162883 /nfs/dbraw/zinc/16/28/83/459162883.db2.gz DJDOLNXPMUYPKS-ZWKOTPCHSA-N -1 3 345.406 3.060 20 30 EGEDHM C=C(C)[C@H](NC(=O)N=c1cc2ccccn2[n-]1)c1ccc(F)c(F)c1 ZINC000558478448 459165145 /nfs/dbraw/zinc/16/51/45/459165145.db2.gz MWYGXKSFZBGZKJ-KRWDZBQOSA-N -1 3 342.349 3.473 20 30 EGEDHM N#CC(=C([O-])c1cnc2n1CCCC2)c1nc(-c2ccncc2)cs1 ZINC000579676860 459250910 /nfs/dbraw/zinc/25/09/10/459250910.db2.gz DFWCTBIFSCQLPQ-ZDUSSCGKSA-N -1 3 349.419 3.228 20 30 EGEDHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc1[O-] ZINC000496875209 459354535 /nfs/dbraw/zinc/35/45/35/459354535.db2.gz MOYUORYOOAACMN-NSHDSACASA-N -1 3 340.335 3.360 20 30 EGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000591339009 459356588 /nfs/dbraw/zinc/35/65/88/459356588.db2.gz UDPAQMWPQSPRNW-JTQLQIEISA-N -1 3 342.289 3.385 20 30 EGEDHM N#C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000537675981 459367871 /nfs/dbraw/zinc/36/78/71/459367871.db2.gz YXSFCWFSSGZQCI-CYBMUJFWSA-N -1 3 336.269 3.285 20 30 EGEDHM CC[C@H](CC#N)NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000571697432 459571711 /nfs/dbraw/zinc/57/17/11/459571711.db2.gz HCIVAERMORCXLG-SNVBAGLBSA-N -1 3 328.397 3.439 20 30 EGEDHM C=CCn1cc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)nn1 ZINC000592636174 459652510 /nfs/dbraw/zinc/65/25/10/459652510.db2.gz HQTDLEBCPLSRRT-QWRGUYRKSA-N -1 3 341.440 3.335 20 30 EGEDHM Cc1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)ccc1[O-] ZINC000499912128 459658322 /nfs/dbraw/zinc/65/83/22/459658322.db2.gz DVDVPSNGIPMEQG-AWEZNQCLSA-N -1 3 345.196 3.458 20 30 EGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000544706336 459779429 /nfs/dbraw/zinc/77/94/29/459779429.db2.gz RRQWHQFFTQVPGO-SNVBAGLBSA-N -1 3 336.226 3.221 20 30 EGEDHM C[C@@H](CC[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000546164809 459900533 /nfs/dbraw/zinc/90/05/33/459900533.db2.gz KYKDETDWZXQQEW-ZDUSSCGKSA-N -1 3 332.400 3.169 20 30 EGEDHM N#CCCCCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000588651866 459960344 /nfs/dbraw/zinc/96/03/44/459960344.db2.gz WJOPWXLCAJTFNN-UHFFFAOYSA-N -1 3 325.206 3.245 20 30 EGEDHM N#Cc1cccc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)n1 ZINC000589380312 460082415 /nfs/dbraw/zinc/08/24/15/460082415.db2.gz LKUPAGVZJHXIGX-UHFFFAOYSA-N -1 3 341.783 3.377 20 30 EGEDHM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)CCN1Cc1ccccc1 ZINC000614300590 460085389 /nfs/dbraw/zinc/08/53/89/460085389.db2.gz LFRKEICTHNMAHV-DNVCBOLYSA-N -1 3 349.434 3.047 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccc3c(c2)CCCCC3=O)nc(C)n1 ZINC000576199894 460088358 /nfs/dbraw/zinc/08/83/58/460088358.db2.gz UASXPJVTCJMZMU-QGZVFWFLSA-N -1 3 333.391 3.493 20 30 EGEDHM N#Cc1cccc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)n1 ZINC000589454348 460089497 /nfs/dbraw/zinc/08/94/97/460089497.db2.gz YQVZVWLUUBZNKY-UHFFFAOYSA-N -1 3 341.783 3.377 20 30 EGEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1noc2c1COCC2 ZINC000598933356 460093999 /nfs/dbraw/zinc/09/39/99/460093999.db2.gz VUXOLWVIPQGZFN-NSHDSACASA-N -1 3 343.408 3.251 20 30 EGEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(OC)c(Br)cc1F ZINC000630459045 461133858 /nfs/dbraw/zinc/13/38/58/461133858.db2.gz KEQMZYKDIRPYAR-SNVBAGLBSA-N -1 3 346.196 3.106 20 30 EGEDHM C=CCN(CCOc1cccc(C(=O)[O-])c1)Cc1ccc(OC)cc1 ZINC000652398476 461175434 /nfs/dbraw/zinc/17/54/34/461175434.db2.gz GAQJGBUOZSKJHD-UHFFFAOYSA-N -1 3 341.407 3.460 20 30 EGEDHM C=CCc1cc(CN[C@@H](CC(=O)[O-])c2cccs2)cc(OC)c1O ZINC000671162236 548253641 /nfs/dbraw/zinc/25/36/41/548253641.db2.gz PPFSEGHWYGNUDX-AWEZNQCLSA-N -1 3 347.436 3.496 20 30 EGEDHM COc1ccc(C=NNCc2ccc(Br)cc2)c([O-])c1 ZINC000726739780 574569175 /nfs/dbraw/zinc/56/91/75/574569175.db2.gz JTNIVGIVUZWISF-UHFFFAOYSA-N -1 3 335.201 3.287 20 30 EGEDHM COc1cccc([O-])c1/C=N/C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000730733100 575013704 /nfs/dbraw/zinc/01/37/04/575013704.db2.gz TXIZQBNMAVVEAN-HCZVKUGISA-N -1 3 334.416 3.219 20 30 EGEDHM CCOc1ccc(/C=N\CCOc2ccc(C(=O)OC)cc2)c([O-])c1 ZINC000731155706 575057637 /nfs/dbraw/zinc/05/76/37/575057637.db2.gz QJRIXTDAUYRRCE-MOSHPQCFSA-N -1 3 343.379 3.075 20 30 EGEDHM Cc1ccc(F)c2c1C(=NN=c1[nH]c3cc(F)c(F)cc3[nH]1)C(=O)[N-]2 ZINC000732712465 575283957 /nfs/dbraw/zinc/28/39/57/575283957.db2.gz ILUKVWHZYNOZSI-UHFFFAOYSA-N -1 3 345.284 3.057 20 30 EGEDHM CC(C)c1ccc(OCCN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736520411 575976902 /nfs/dbraw/zinc/97/69/02/575976902.db2.gz GSSCACRKNQETRX-IBGZPJMESA-N -1 3 338.407 3.476 20 30 EGEDHM CCCOCc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737027463 576083585 /nfs/dbraw/zinc/08/35/85/576083585.db2.gz CXBITSOKBNGZNV-LJQANCHMSA-N -1 3 338.407 3.400 20 30 EGEDHM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1C ZINC000737307880 576202440 /nfs/dbraw/zinc/20/24/40/576202440.db2.gz JAOPPHUGOLNGSS-SREVYHEPSA-N -1 3 344.378 3.027 20 30 EGEDHM Cc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1C ZINC000737307880 576202444 /nfs/dbraw/zinc/20/24/44/576202444.db2.gz JAOPPHUGOLNGSS-SREVYHEPSA-N -1 3 344.378 3.027 20 30 EGEDHM C=CCSc1nc2ccccc2n1CN1CCC(C(=O)[O-])CC1 ZINC000738502406 576332478 /nfs/dbraw/zinc/33/24/78/576332478.db2.gz COHJRRBWKIZBOI-UHFFFAOYSA-N -1 3 331.441 3.069 20 30 EGEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(Cl)s1 ZINC000743448692 576809320 /nfs/dbraw/zinc/80/93/20/576809320.db2.gz AQUNASQYUANSRO-UHFFFAOYSA-N -1 3 342.873 3.288 20 30 EGEDHM O=C1[C@H](/N=C/c2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000743538823 576811468 /nfs/dbraw/zinc/81/14/68/576811468.db2.gz OLJRTUMGTKFPNK-MBTVCVBTSA-N -1 3 328.799 3.266 20 30 EGEDHM C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1cccc(C#N)c1 ZINC000743777434 576815780 /nfs/dbraw/zinc/81/57/80/576815780.db2.gz VENGNMOMLMQXFG-GFCCVEGCSA-N -1 3 344.317 3.220 20 30 EGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000819772708 607254285 /nfs/dbraw/zinc/25/42/85/607254285.db2.gz JQOHZIMRJPIZPQ-UHFFFAOYSA-N -1 3 326.791 3.034 20 30 EGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000819772708 607254286 /nfs/dbraw/zinc/25/42/86/607254286.db2.gz JQOHZIMRJPIZPQ-UHFFFAOYSA-N -1 3 326.791 3.034 20 30 EGEDHM COc1ccc(C#N)cc1CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821770464 607373405 /nfs/dbraw/zinc/37/34/05/607373405.db2.gz URUUQQJWJSZFPB-UHFFFAOYSA-N -1 3 340.774 3.012 20 30 EGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc(Cl)n1 ZINC000819745985 599565961 /nfs/dbraw/zinc/56/59/61/599565961.db2.gz XJSXTAZNWZISDN-UHFFFAOYSA-N -1 3 340.818 3.103 20 30 EGEDHM N#Cc1cccc([C@@H](NCc2cccc(OCC(F)F)c2)C(=O)[O-])c1 ZINC000833075236 601304603 /nfs/dbraw/zinc/30/46/03/601304603.db2.gz JERGZKMCURRWNC-QGZVFWFLSA-N -1 3 346.333 3.118 20 30 EGEDHM C=CCCCC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OCC ZINC000819740246 606335132 /nfs/dbraw/zinc/33/51/32/606335132.db2.gz VZTCTBQLZMRTIU-UHFFFAOYSA-N -1 3 336.779 3.181 20 30 EGEDHM C=CCCCC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OCC ZINC000819740246 606335134 /nfs/dbraw/zinc/33/51/34/606335134.db2.gz VZTCTBQLZMRTIU-UHFFFAOYSA-N -1 3 336.779 3.181 20 30 EGEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cnc1Cl ZINC000822199182 607149166 /nfs/dbraw/zinc/14/91/66/607149166.db2.gz ZGZBRQWWPGPEAO-UQCOIBPSSA-N -1 3 325.759 3.120 20 30 EGEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cnc1Cl ZINC000822199182 607149168 /nfs/dbraw/zinc/14/91/68/607149168.db2.gz ZGZBRQWWPGPEAO-UQCOIBPSSA-N -1 3 325.759 3.120 20 30 EGEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)cs1 ZINC000823868181 607885698 /nfs/dbraw/zinc/88/56/98/607885698.db2.gz PUXCSMSFWMCJBS-UHFFFAOYSA-N -1 3 347.407 3.436 20 30 EGEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)cs1 ZINC000823868181 607885699 /nfs/dbraw/zinc/88/56/99/607885699.db2.gz PUXCSMSFWMCJBS-UHFFFAOYSA-N -1 3 347.407 3.436 20 30 EGEDHM C=CCN(Cc1cccc(C#N)c1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000823915077 608646878 /nfs/dbraw/zinc/64/68/78/608646878.db2.gz RUCBAAUHMJYKCZ-UHFFFAOYSA-N -1 3 348.385 3.066 20 30 EGEDHM C=CCN(Cc1cccc(C#N)c1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000823915077 608646879 /nfs/dbraw/zinc/64/68/79/608646879.db2.gz RUCBAAUHMJYKCZ-UHFFFAOYSA-N -1 3 348.385 3.066 20 30 EGEDHM COCc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826164828 609134293 /nfs/dbraw/zinc/13/42/93/609134293.db2.gz SKZRHXXFBFSBLH-VMPITWQZSA-N -1 3 338.342 3.048 20 30 EGEDHM COCc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826164828 609134294 /nfs/dbraw/zinc/13/42/94/609134294.db2.gz SKZRHXXFBFSBLH-VMPITWQZSA-N -1 3 338.342 3.048 20 30 EGEDHM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826290011 609309340 /nfs/dbraw/zinc/30/93/40/609309340.db2.gz WIPVQMJAXJPFQT-DAXSKMNVSA-N -1 3 326.306 3.349 20 30 EGEDHM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826290011 609309342 /nfs/dbraw/zinc/30/93/42/609309342.db2.gz WIPVQMJAXJPFQT-DAXSKMNVSA-N -1 3 326.306 3.349 20 30 EGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H](O)c1cccc(F)c1 ZINC000049274744 1291624604 /nfs/dbraw/zinc/62/46/04/1291624604.db2.gz NUVKHEJZTJSYAO-RIEVCORGSA-N -1 3 338.176 3.446 20 30 EGEDHM 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20 30 EGEDHM N#CCc1cc(NC(=O)c2nc3ccc(Cl)nc3[n-]2)ccc1F ZINC001155186645 1380420904 /nfs/dbraw/zinc/42/09/04/1380420904.db2.gz OJXFSHAGPQUTRX-UHFFFAOYSA-N -1 3 329.722 3.069 20 30 EGEDHM COc1cc(C#N)nc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001157726081 1381016009 /nfs/dbraw/zinc/01/60/09/1381016009.db2.gz CXNDKGPQKNJVBB-UHFFFAOYSA-N -1 3 340.770 3.481 20 30 EGEDHM N#Cc1cc(NC(=O)CCc2ccc(C(F)(F)F)nc2)ccc1[O-] ZINC001176855462 1385724915 /nfs/dbraw/zinc/72/49/15/1385724915.db2.gz FCTUJRMOEJDTLA-UHFFFAOYSA-N -1 3 335.285 3.249 20 30 EGEDHM Cc1ncc(CO)c(/C=N\CCc2ccc(OC(C)(C)C)cc2)c1[O-] ZINC001320023203 1386459243 /nfs/dbraw/zinc/45/92/43/1386459243.db2.gz DJOYCFHOKQCBEV-MTJSOVHGSA-N -1 3 342.439 3.427 20 30 EGEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc(CN(C)C)on3)sc2C1 ZINC001336230044 1389041819 /nfs/dbraw/zinc/04/18/19/1389041819.db2.gz ISKGRRRSYVURKN-SNVBAGLBSA-N -1 3 344.440 3.046 20 30 EGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(Cl)nc1 ZINC001343469792 1390716127 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C=CC1(CC(=O)N(C)c2ccccc2-c2nnn[n-]2)CCCCC1 ZINC001573315023 947242561 /nfs/dbraw/zinc/24/25/61/947242561.db2.gz JIPNUKHUHHAMOH-UHFFFAOYSA-N -1 3 325.416 3.356 20 30 EGEDHM C=CC1(CC(=O)N(C)c2ccccc2-c2nn[n-]n2)CCCCC1 ZINC001573315023 947242571 /nfs/dbraw/zinc/24/25/71/947242571.db2.gz JIPNUKHUHHAMOH-UHFFFAOYSA-N -1 3 325.416 3.356 20 30 EGEDHM C=CC1(CC(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001573315709 947257416 /nfs/dbraw/zinc/25/74/16/947257416.db2.gz OBFOJDMCHFCSCN-UHFFFAOYSA-N -1 3 339.443 3.318 20 30 EGEDHM C=CC1(CC(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001573315709 947257426 /nfs/dbraw/zinc/25/74/26/947257426.db2.gz OBFOJDMCHFCSCN-UHFFFAOYSA-N -1 3 339.443 3.318 20 30 EGEDHM C=C[C@H](CC)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001573316787 947282890 /nfs/dbraw/zinc/28/28/90/947282890.db2.gz ZJPNBLFTGCUYHF-SECBINFHSA-N -1 3 339.321 3.426 20 30 EGEDHM C=C[C@H](CC)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001573316787 947282899 /nfs/dbraw/zinc/28/28/99/947282899.db2.gz 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EGEDHM CCCOC1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CCCCC1 ZINC000331233251 270045156 /nfs/dbraw/zinc/04/51/56/270045156.db2.gz JDIBPZOWXQEDMV-UHFFFAOYSA-N -1 3 342.486 3.028 20 30 EGEDHM N#Cc1cccc(CN[C@@H](CSCCc2ccccc2)C(=O)[O-])c1 ZINC000426725164 270049562 /nfs/dbraw/zinc/04/95/62/270049562.db2.gz YGMQUVKYYYQUIW-SFHVURJKSA-N -1 3 340.448 3.077 20 30 EGEDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)C2CC2)s1 ZINC000443914797 270052482 /nfs/dbraw/zinc/05/24/82/270052482.db2.gz IUNZQSCQDQRSLT-OAHLLOKOSA-N -1 3 347.465 3.061 20 30 EGEDHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000298341587 266369147 /nfs/dbraw/zinc/36/91/47/266369147.db2.gz DELKFEFJULGMID-GOSISDBHSA-N -1 3 337.423 3.476 20 30 EGEDHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(Cl)c1 ZINC000428249521 267196098 /nfs/dbraw/zinc/19/60/98/267196098.db2.gz ODBGRAHYYWEMLB-CYBMUJFWSA-N -1 3 335.816 3.036 20 30 EGEDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)C(F)(F)F ZINC000443933761 267208162 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Cc1csc(C(C#N)=C([O-])c2cccc(Nc3cnccn3)c2)n1 ZINC000097034275 454391534 /nfs/dbraw/zinc/39/15/34/454391534.db2.gz SSPNCJSIJANOEA-CQSZACIVSA-N -1 3 335.392 3.475 20 30 EGEDHM N#C[C@@H](NC(=O)c1ccccc1[O-])c1cccc(Br)c1 ZINC000162378419 454771493 /nfs/dbraw/zinc/77/14/93/454771493.db2.gz QDYAQJXHBOROPR-CYBMUJFWSA-N -1 3 331.169 3.149 20 30 EGEDHM O=C1[C@H](/N=C/c2c([O-])ccc3ccccc32)CCN1CC(F)(F)F ZINC000111998040 454878133 /nfs/dbraw/zinc/87/81/33/454878133.db2.gz HCDNXLOSOVNVFF-SCDDIDHTSA-N -1 3 336.313 3.128 20 30 EGEDHM Cc1ccccc1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000113728758 454934160 /nfs/dbraw/zinc/93/41/60/454934160.db2.gz CRJUZRFMABZVDT-UHFFFAOYSA-N -1 3 334.379 3.007 20 30 EGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000156362653 455109123 /nfs/dbraw/zinc/10/91/23/455109123.db2.gz XCINNLIVCRZEIK-CYBMUJFWSA-N -1 3 336.800 3.161 20 30 EGEDHM N#CC(=C([O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccn1 ZINC000156473200 455122418 /nfs/dbraw/zinc/12/24/18/455122418.db2.gz 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CCN(CC)c1ccc(C=Nc2ccc3c(c2)C(=O)NCC3)c([O-])c1 ZINC000735228985 575619608 /nfs/dbraw/zinc/61/96/08/575619608.db2.gz NFBHBGYYWFAEJU-UHFFFAOYSA-N -1 3 337.423 3.275 20 30 EGEDHM CCO[C@H]1CC(N=Nc2cccc(-c3nnn[n-]3)c2)C12CCCCC2 ZINC000736617842 575989982 /nfs/dbraw/zinc/98/99/82/575989982.db2.gz SFGLNHNOEUPHPR-INIZCTEOSA-N -1 3 340.431 3.394 20 30 EGEDHM CCO[C@H]1CC(N=Nc2cccc(-c3nn[n-]n3)c2)C12CCCCC2 ZINC000736617842 575989983 /nfs/dbraw/zinc/98/99/83/575989983.db2.gz SFGLNHNOEUPHPR-INIZCTEOSA-N -1 3 340.431 3.394 20 30 EGEDHM COc1ccc(C=CC(=O)c2c[nH]c3ccccc23)cc1-c1nnn[n-]1 ZINC000737081684 576106729 /nfs/dbraw/zinc/10/67/29/576106729.db2.gz RJRUSUXQSOZZNU-VURMDHGXSA-N -1 3 345.362 3.253 20 30 EGEDHM COc1ccc(C=CC(=O)c2c[nH]c3ccccc23)cc1-c1nn[n-]n1 ZINC000737081684 576106733 /nfs/dbraw/zinc/10/67/33/576106733.db2.gz RJRUSUXQSOZZNU-VURMDHGXSA-N -1 3 345.362 3.253 20 30 EGEDHM N#Cc1ccc([C@@H](NCc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000739105362 576378191 /nfs/dbraw/zinc/37/81/91/576378191.db2.gz 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576809426 /nfs/dbraw/zinc/80/94/26/576809426.db2.gz IFEMMRXTQYVGIV-UHFFFAOYSA-N -1 3 348.855 3.152 20 30 EGEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc2ccccc2o1 ZINC000743449238 576809430 /nfs/dbraw/zinc/80/94/30/576809430.db2.gz SJXGWBQOVDGLLL-UHFFFAOYSA-N -1 3 342.420 3.319 20 30 EGEDHM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000832226529 601298611 /nfs/dbraw/zinc/29/86/11/601298611.db2.gz OVSSXFKBXBSEIL-APPDUMDISA-N -1 3 328.343 3.182 20 30 EGEDHM Cc1ccc2c(c1)OCCC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000822279569 606836301 /nfs/dbraw/zinc/83/63/01/606836301.db2.gz AZBBZXVBLWPUHD-LUAWRHEFSA-N -1 3 338.392 3.285 20 30 EGEDHM O=C1c2cccc(Cl)c2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475451 608878506 /nfs/dbraw/zinc/87/85/06/608878506.db2.gz GJOBWZNLRDVBME-POHAHGRESA-N -1 3 340.745 3.482 20 30 EGEDHM O=C1c2cccc(Cl)c2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475451 608878509 /nfs/dbraw/zinc/87/85/09/608878509.db2.gz GJOBWZNLRDVBME-POHAHGRESA-N -1 3 340.745 3.482 20 30 EGEDHM CC(=NNc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958111 609275464 /nfs/dbraw/zinc/27/54/64/609275464.db2.gz CIRVVGCVQKMZEW-UHFFFAOYSA-N -1 3 332.289 3.120 20 30 EGEDHM CC(=NNc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958111 609275466 /nfs/dbraw/zinc/27/54/66/609275466.db2.gz CIRVVGCVQKMZEW-UHFFFAOYSA-N -1 3 332.289 3.120 20 30 EGEDHM C#CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823838535 609581987 /nfs/dbraw/zinc/58/19/87/609581987.db2.gz QWUJKRUKYFQUFT-CQSZACIVSA-N -1 3 338.802 3.400 20 30 EGEDHM C#CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823838535 609581988 /nfs/dbraw/zinc/58/19/88/609581988.db2.gz QWUJKRUKYFQUFT-CQSZACIVSA-N -1 3 338.802 3.400 20 30 EGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2sc(C)nc2C)cc1 ZINC000128414385 1293592010 /nfs/dbraw/zinc/59/20/10/1293592010.db2.gz QJUWEPMLEZJLLT-CQSZACIVSA-N -1 3 327.409 3.284 20 30 EGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2occc2C)cc1Cl ZINC000130348527 1293653401 /nfs/dbraw/zinc/65/34/01/1293653401.db2.gz BPFQOBWYXCJOKM-NSHDSACASA-N -1 3 332.743 3.211 20 30 EGEDHM C=CCc1cc(C(=O)NCc2ccc([O-])c(F)c2)cc(OC)c1OC ZINC000133067790 1293735806 /nfs/dbraw/zinc/73/58/06/1293735806.db2.gz JCDAXMNUQRSPND-UHFFFAOYSA-N -1 3 345.370 3.207 20 30 EGEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCN(c2ccccn2)C1 ZINC000133114110 1293737229 /nfs/dbraw/zinc/73/72/29/1293737229.db2.gz UWDCXNHRXVLFDH-LEBHLANCSA-N -1 3 346.228 3.248 20 30 EGEDHM CC(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1C ZINC000177596574 1294679069 /nfs/dbraw/zinc/67/90/69/1294679069.db2.gz GDSFXWIMXXDJOX-CYBMUJFWSA-N -1 3 344.802 3.158 20 30 EGEDHM C=CCn1c(C)cc(C(=O)CO[N-]C(=O)Cc2ccc(C)cc2)c1C ZINC000177581837 1294680106 /nfs/dbraw/zinc/68/01/06/1294680106.db2.gz QLCYXEWYXHZSIN-UHFFFAOYSA-N -1 3 340.423 3.073 20 30 EGEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cccnc1 ZINC000193480401 1295873925 /nfs/dbraw/zinc/87/39/25/1295873925.db2.gz ODXOVZMLAFDSEG-ZDUSSCGKSA-N -1 3 334.162 3.350 20 30 EGEDHM C#C[C@@H](CC)NCc1cc(Br)c([O-])c(Br)c1 ZINC000229899877 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COc1ccc(C=NNc2ccnc(F)c2)c(Br)c1[O-] ZINC000761014010 1301382611 /nfs/dbraw/zinc/38/26/11/1301382611.db2.gz WAQLWGKPABRHNI-UHFFFAOYSA-N -1 3 340.152 3.143 20 30 EGEDHM CC(CCCC(C)C)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000764683262 1302117759 /nfs/dbraw/zinc/11/77/59/1302117759.db2.gz VDLXYNAORIPYEZ-UHFFFAOYSA-N -1 3 341.433 3.216 20 30 EGEDHM Cc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000766281840 1302422057 /nfs/dbraw/zinc/42/20/57/1302422057.db2.gz YAFYBGOKPPPFJA-UHFFFAOYSA-N -1 3 342.370 3.399 20 30 EGEDHM [O-]c1c(F)cc(Cl)cc1C=NNc1ccc(C(F)(F)F)nn1 ZINC000768366074 1302889160 /nfs/dbraw/zinc/88/91/60/1302889160.db2.gz BUDUBXVOUNGOMK-UHFFFAOYSA-N -1 3 334.660 3.440 20 30 EGEDHM CCOc1cc(C=NN[C@H]2CCOC(C)(C)C2)cc(Cl)c1[O-] ZINC000780251369 1304665543 /nfs/dbraw/zinc/66/55/43/1304665543.db2.gz BHYNATUOQPBETQ-LBPRGKRZSA-N -1 3 326.824 3.325 20 30 EGEDHM [O-]c1ccc(CN=Nc2ncncc2Cl)cc1Br ZINC000780274648 1304669592 /nfs/dbraw/zinc/66/95/92/1304669592.db2.gz CLTKDACTQCFPIJ-UHFFFAOYSA-N -1 3 327.569 3.044 20 30 EGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cccc(Cl)n1 ZINC000780306163 1304674970 /nfs/dbraw/zinc/67/49/70/1304674970.db2.gz RJFWUABLDUITPA-SECBINFHSA-N -1 3 334.162 3.350 20 30 EGEDHM COc1cc(C#N)ccc1COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787842505 1305809180 /nfs/dbraw/zinc/80/91/80/1305809180.db2.gz FPZRTHGBQUIPMX-UHFFFAOYSA-N -1 3 343.354 3.478 20 30 EGEDHM Cc1ccccc1C1N=NC(=S)N1N=Cc1c(F)ccc([O-])c1F ZINC000794481542 1309535017 /nfs/dbraw/zinc/53/50/17/1309535017.db2.gz LPTUHUCXZJBLPA-UHFFFAOYSA-N -1 3 346.362 3.408 20 30 EGEDHM C=CCC1(O)CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000895835507 1309545484 /nfs/dbraw/zinc/54/54/84/1309545484.db2.gz IRBINZVHVAGTNS-UHFFFAOYSA-N -1 3 326.234 3.058 20 30 EGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccccc1-n1ccnn1 ZINC000794733648 1309586218 /nfs/dbraw/zinc/58/62/18/1309586218.db2.gz YJTPEYQZRBFVKP-ALCCZGGFSA-N -1 3 327.290 3.147 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000794833812 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EGEDHM COCCn1cc(C(=O)N([O-])Cc2cccc3ccccc32)c(C)n1 ZINC000904171588 1317802787 /nfs/dbraw/zinc/80/27/87/1317802787.db2.gz PQIZOIDVOIWQCR-UHFFFAOYSA-N -1 3 339.395 3.023 20 30 EGEDHM C[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)NC(=O)C1CCCCC1 ZINC000904175821 1317804468 /nfs/dbraw/zinc/80/44/68/1317804468.db2.gz XHIZBUOZTWAQEW-ZDUSSCGKSA-N -1 3 336.407 3.019 20 30 EGEDHM Cn1cncc1CCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180678 1317805600 /nfs/dbraw/zinc/80/56/00/1317805600.db2.gz NGDUFQDRPBIQJW-UHFFFAOYSA-N -1 3 328.199 3.078 20 30 EGEDHM O=C(CCCn1cccn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904182908 1317806071 /nfs/dbraw/zinc/80/60/71/1317806071.db2.gz SURPTSGYXCXGPM-UHFFFAOYSA-N -1 3 328.199 3.388 20 30 EGEDHM CCCCN([O-])C(=O)CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000904207286 1317809761 /nfs/dbraw/zinc/80/97/61/1317809761.db2.gz YAJYMXYDYGMCJU-UHFFFAOYSA-N -1 3 349.456 3.226 20 30 EGEDHM Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000811186337 1318120260 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CCCc1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000920384122 1322171231 /nfs/dbraw/zinc/17/12/31/1322171231.db2.gz VPKGNNSCXPERTF-UHFFFAOYSA-N -1 3 330.453 3.483 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)Cc1ccsc1 ZINC000851143554 1322340552 /nfs/dbraw/zinc/34/05/52/1322340552.db2.gz CCKGVXSDTBFFEX-NSHDSACASA-N -1 3 344.436 3.444 20 30 EGEDHM C=C(Cl)C[C@@H](NCc1cc(OC)ccc1Br)C(=O)[O-] ZINC000864518447 1329621636 /nfs/dbraw/zinc/62/16/36/1329621636.db2.gz JWYCAQJOGIFSMW-GFCCVEGCSA-N -1 3 348.624 3.143 20 30 EGEDHM C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC000967483452 1335755936 /nfs/dbraw/zinc/75/59/36/1335755936.db2.gz PMQZZFAICRGGBO-OAHLLOKOSA-N -1 3 344.455 3.058 20 30 EGEDHM C=CCC(C)(C)C(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])CC1 ZINC001065863107 1352899948 /nfs/dbraw/zinc/89/99/48/1352899948.db2.gz RIILIVZHYYHAPY-OAHLLOKOSA-N -1 3 344.455 3.105 20 30 EGEDHM N#Cc1ccc(NCCCCCCNC(=O)c2ccccc2[O-])nc1 ZINC001094926820 1361947342 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N#CC1([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)CCCC1 ZINC001197547576 1368837237 /nfs/dbraw/zinc/83/72/37/1368837237.db2.gz YGSOVOQHFVBAPF-UHFFFAOYSA-N -1 3 333.240 3.249 20 30 EGEDHM O=C(NC1=CC(=O)CCC1)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197722775 1368881531 /nfs/dbraw/zinc/88/15/31/1368881531.db2.gz GGSQAFVSJAQYFK-UHFFFAOYSA-N -1 3 337.375 3.338 20 30 EGEDHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C)c(C)c1 ZINC001198941888 1369153674 /nfs/dbraw/zinc/15/36/74/1369153674.db2.gz LNIMQPGFSGWBAR-UHFFFAOYSA-N -1 3 330.409 3.293 20 30 EGEDHM CC(C)(C)NS(=O)(=O)c1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001203205361 1370024931 /nfs/dbraw/zinc/02/49/31/1370024931.db2.gz WVFQHBSUHGENCL-UHFFFAOYSA-N -1 3 345.424 3.084 20 30 EGEDHM N#CC(=C([O-])c1cccnc1OCC(F)(F)F)c1cccc(F)n1 ZINC001122717542 1372305177 /nfs/dbraw/zinc/30/51/77/1372305177.db2.gz KCIDYJOJHIXYHM-JTQLQIEISA-N -1 3 339.248 3.047 20 30 EGEDHM O=C(CO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1)N1CCCC1 ZINC001210470280 1372361284 /nfs/dbraw/zinc/36/12/84/1372361284.db2.gz 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N#Cc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)c([O-])c1 ZINC001233383803 1376633768 /nfs/dbraw/zinc/63/37/68/1376633768.db2.gz WRKLHJJIQIMFHP-QPJJXVBHSA-N -1 3 333.435 3.095 20 30 EGEDHM N#Cc1ccc(CN2CCc3c(cnn3-c3ccccc3)C2)c([O-])c1 ZINC001233386422 1376633944 /nfs/dbraw/zinc/63/39/44/1376633944.db2.gz SWLJAONYRSNXQV-UHFFFAOYSA-N -1 3 330.391 3.008 20 30 EGEDHM COc1ccc(C#N)c(C(=O)Nc2ccc([O-])cc2Br)c1 ZINC001189095037 1388456679 /nfs/dbraw/zinc/45/66/79/1388456679.db2.gz DAHHFYQYJDLAMC-UHFFFAOYSA-N -1 3 347.168 3.287 20 30 EGEDHM CCCCOC[C@H](C)OC[C@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233802969 1376720877 /nfs/dbraw/zinc/72/08/77/1376720877.db2.gz KJFKQMJZJCGTAF-WTQAEKLLSA-N -1 3 339.432 3.492 20 30 EGEDHM COC(=O)c1nc2nc(-c3ccc(C(F)(F)F)cc3C#N)ccc2[n-]1 ZINC001238845779 1377002910 /nfs/dbraw/zinc/00/29/10/1377002910.db2.gz ROPCEELQOTXLOW-UHFFFAOYSA-N -1 3 346.268 3.254 20 30 EGEDHM COC(=O)c1nc2ccc(-c3ccc(C(F)(F)F)cc3C#N)[n-]c-2n1 ZINC001238845779 1377002916 /nfs/dbraw/zinc/00/29/16/1377002916.db2.gz ROPCEELQOTXLOW-UHFFFAOYSA-N -1 3 346.268 3.254 20 30 EGEDHM C=C(C)CN(CC)Cc1cc(Br)ccc1OCC(=O)[O-] ZINC001139243288 1377857468 /nfs/dbraw/zinc/85/74/68/1377857468.db2.gz XVJAUZOMVJDQLG-UHFFFAOYSA-N -1 3 342.233 3.311 20 30 EGEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@]2(C)CC=CCC2)c(C)c1[O-] ZINC001142548541 1378458037 /nfs/dbraw/zinc/45/80/37/1378458037.db2.gz RHYJCARDSHXKEL-LJQANCHMSA-N -1 3 342.395 3.434 20 30 EGEDHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cccc([C@@H](C)C#N)c1 ZINC001148618895 1379227294 /nfs/dbraw/zinc/22/72/94/1379227294.db2.gz SGISLZOQPHPHSB-JTQLQIEISA-N -1 3 342.326 3.197 20 30 EGEDHM N#Cc1ccc2c(c1)CCN(C(=O)c1c(O)cc3ccccc3c1[O-])C2 ZINC001154025399 1380183650 /nfs/dbraw/zinc/18/36/50/1380183650.db2.gz NADPTWRCCHQFKA-UHFFFAOYSA-N -1 3 344.370 3.321 20 30 EGEDHM C[C@H](CCc1ccccc1)NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154559741 1380305534 /nfs/dbraw/zinc/30/55/34/1380305534.db2.gz RUJUASWFFAJDRN-CQSZACIVSA-N -1 3 345.402 3.151 20 30 EGEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1n[nH]c2cc(C#N)ccc21 ZINC001156879254 1380714424 /nfs/dbraw/zinc/71/44/24/1380714424.db2.gz ZXRPUUARYZBVBX-UHFFFAOYSA-N -1 3 327.303 3.305 20 30 EGEDHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N(CCC#N)C1CCCC1 ZINC001166533980 1383433672 /nfs/dbraw/zinc/43/36/72/1383433672.db2.gz MZMVRMHOIICNLX-UHFFFAOYSA-N -1 3 347.806 3.061 20 30 EGEDHM C=CCN(c1nnc(CCc2cccc(Cl)c2[O-])n1C)C1CC1 ZINC001338647445 1389722126 /nfs/dbraw/zinc/72/21/26/1389722126.db2.gz WCCHKOLPIDTVGW-UHFFFAOYSA-N -1 3 332.835 3.114 20 30 EGEDHM CCn1c(CCc2cccc(Cl)c2[O-])nnc1N(C)[C@@H](C)CC#N ZINC001340748406 1390358306 /nfs/dbraw/zinc/35/83/06/1390358306.db2.gz KHEBVVQRAONZGE-LBPRGKRZSA-N -1 3 347.850 3.181 20 30 EGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(C(F)F)n(C)n3)nc21 ZINC001343274315 1390703999 /nfs/dbraw/zinc/70/39/99/1390703999.db2.gz NLCDSBVKCHRBOE-VIFPVBQESA-N -1 3 329.310 3.033 20 30 EGEDHM CCOc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC001343443397 1390714241 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C=C(C)CCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC001573301061 947128660 /nfs/dbraw/zinc/12/86/60/947128660.db2.gz YKWKRMINLPPCKV-UHFFFAOYSA-N -1 3 337.383 3.349 20 30 EGEDHM C=CCCC(C)(C)CNC(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001573327269 947387447 /nfs/dbraw/zinc/38/74/47/947387447.db2.gz BKNGSWUMNQFYHL-UHFFFAOYSA-N -1 3 349.385 3.067 20 30 EGEDHM C=CCCC(C)(C)CNC(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001573327269 947387458 /nfs/dbraw/zinc/38/74/58/947387458.db2.gz BKNGSWUMNQFYHL-UHFFFAOYSA-N -1 3 349.385 3.067 20 30 EGEDHM O=C(C=Cc1cccc2cnccc12)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401471 948222454 /nfs/dbraw/zinc/22/24/54/948222454.db2.gz ZUPXGLUDYMAWCF-FNORWQNLSA-N -1 3 345.337 3.450 20 30 EGEDHM O=C(C=Cc1cccc2cnccc12)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401471 948222460 /nfs/dbraw/zinc/22/24/60/948222460.db2.gz ZUPXGLUDYMAWCF-FNORWQNLSA-N -1 3 345.337 3.450 20 30 EGEDHM CC(C)c1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC001574420519 948801493 /nfs/dbraw/zinc/80/14/93/948801493.db2.gz WDDRHRAJOMJMBY-UHFFFAOYSA-N -1 3 332.367 3.114 20 30 EGEDHM CC(C)c1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC001574420519 948801513 /nfs/dbraw/zinc/80/15/13/948801513.db2.gz WDDRHRAJOMJMBY-UHFFFAOYSA-N -1 3 332.367 3.114 20 30 EGEDHM O=C([O-])[C@H](CC(F)(F)F)NCc1ccc(F)cc1C(F)(F)F ZINC000901780333 980510880 /nfs/dbraw/zinc/51/08/80/980510880.db2.gz POOYZTSWLOAZHN-VIFPVBQESA-N -1 3 333.203 3.340 20 30 EGEDHM O=C([O-])[C@@H](CC(F)(F)F)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000901780640 980510970 /nfs/dbraw/zinc/51/09/70/980510970.db2.gz QZHGNLFPYSEUMY-SECBINFHSA-N -1 3 333.203 3.340 20 30 EGEDHM CCC1(CC)[C@H](NCc2cccc(C(=O)[O-])c2C#N)[C@@H](C)[C@@H]1OC ZINC001595374464 980884383 /nfs/dbraw/zinc/88/43/83/980884383.db2.gz ZAUDZIGHEUWVNY-JLZZUVOBSA-N -1 3 330.428 3.186 20 30 EGEDHM C#CCOc1ccc(CNCc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001588497571 983539640 /nfs/dbraw/zinc/53/96/40/983539640.db2.gz NXLGFXBLKVPXNU-UHFFFAOYSA-N -1 3 329.783 3.340 20 30 EGEDHM CCN(Cc1cc(C(=O)[O-])c(C)n1C)[C@H](C)c1ccc(C#N)cc1 ZINC001596354257 983816097 /nfs/dbraw/zinc/81/60/97/983816097.db2.gz GWWMJCONLNOCRN-CYBMUJFWSA-N -1 3 325.412 3.487 20 30 EGEDHM COc1ccc([C@H](NCc2cccc(C#N)c2)C(=O)[O-])cc1Cl ZINC001599532742 997687670 /nfs/dbraw/zinc/68/76/70/997687670.db2.gz VLYZPJHSMQWLHD-INIZCTEOSA-N -1 3 330.771 3.136 20 30 EGEDHM C[C@]12CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)C[C@H]1C2(Cl)Cl ZINC001594087273 998013106 /nfs/dbraw/zinc/01/31/06/998013106.db2.gz CMTKZVVYCALOGD-NFAWXSAZSA-N -1 3 339.222 3.200 20 30 EGEDHM CCC[C@H]1[C@@H](C)CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000081176463 217368290 /nfs/dbraw/zinc/36/82/90/217368290.db2.gz IOBJSTZAIXQFBQ-UGSOOPFHSA-N -1 3 343.471 3.223 20 30 EGEDHM Cc1csc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000344728831 144216355 /nfs/dbraw/zinc/21/63/55/144216355.db2.gz XBCSZOLXLXDURE-UHFFFAOYSA-N -1 3 326.830 3.060 20 30 EGEDHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000318729149 154160197 /nfs/dbraw/zinc/16/01/97/154160197.db2.gz VNGLECYKGYKWEZ-UHFFFAOYSA-N -1 3 336.800 3.330 20 30 EGEDHM CCc1cc(=O)[n-]c(CSCCCOc2cccc(C#N)c2)n1 ZINC000125703053 162284711 /nfs/dbraw/zinc/28/47/11/162284711.db2.gz PRMNEXBHFNYZGS-UHFFFAOYSA-N -1 3 329.425 3.319 20 30 EGEDHM CC(C)CSCCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000356587371 166456621 /nfs/dbraw/zinc/45/66/21/166456621.db2.gz DMHNBNPXZUQGPU-UHFFFAOYSA-N -1 3 346.905 3.269 20 30 EGEDHM COc1cc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)ccc1[O-] ZINC000443044117 269767848 /nfs/dbraw/zinc/76/78/48/269767848.db2.gz FOQBCDGZJPUTOM-UHFFFAOYSA-N -1 3 326.352 3.312 20 30 EGEDHM N#Cc1ccc(OC2CN(C(=O)c3ccc4c(c3[O-])CCCC4)C2)cc1 ZINC000436630794 270051505 /nfs/dbraw/zinc/05/15/05/270051505.db2.gz QDMWUGDUDCXURY-UHFFFAOYSA-N -1 3 348.402 3.046 20 30 EGEDHM CCc1cccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1[O-] ZINC000534282416 270061408 /nfs/dbraw/zinc/06/14/08/270061408.db2.gz KNNOCHRRVALKRX-UHFFFAOYSA-N -1 3 346.390 3.146 20 30 EGEDHM CCC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCC1 ZINC000458310043 267034045 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CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C#N ZINC000152642241 307756801 /nfs/dbraw/zinc/75/68/01/307756801.db2.gz IPZAKFROQHLCBC-UHFFFAOYSA-N -1 3 334.372 3.285 20 30 EGEDHM N#Cc1ccc(C(=O)[N-]c2c(F)cc(Br)cc2F)nc1 ZINC000088170845 454090716 /nfs/dbraw/zinc/09/07/16/454090716.db2.gz ADFFKQUDVMKFNL-UHFFFAOYSA-N -1 3 338.111 3.246 20 30 EGEDHM COc1cc(C#N)ccc1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000571031394 317141803 /nfs/dbraw/zinc/14/18/03/317141803.db2.gz RCOZJUQOPWFPEC-UHFFFAOYSA-N -1 3 327.409 3.373 20 30 EGEDHM N#Cc1ccc(CC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000176187849 323327544 /nfs/dbraw/zinc/32/75/44/323327544.db2.gz DFOXRHUQPWINOE-UHFFFAOYSA-N -1 3 331.169 3.208 20 30 EGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000184846242 323679014 /nfs/dbraw/zinc/67/90/14/323679014.db2.gz BOUONKLDPDHDKZ-UHFFFAOYSA-N -1 3 340.763 3.160 20 30 EGEDHM C=CCCCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000557836261 459112060 /nfs/dbraw/zinc/11/20/60/459112060.db2.gz SCRUFJWYHCMHKE-UHFFFAOYSA-N -1 3 341.326 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CCOc1c(Cl)cc(C([O-])=C(C#N)c2ccncn2)cc1OC ZINC000354458542 457236679 /nfs/dbraw/zinc/23/66/79/457236679.db2.gz BOULOBFYBLEIQM-NSHDSACASA-N -1 3 331.759 3.027 20 30 EGEDHM COc1ccc2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c(C)nc2c1 ZINC000354939738 457331450 /nfs/dbraw/zinc/33/14/50/457331450.db2.gz MIDVQSGVOZGYFI-KRWDZBQOSA-N -1 3 346.390 3.449 20 30 EGEDHM COc1cnc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)nc1 ZINC000340109723 457335970 /nfs/dbraw/zinc/33/59/70/457335970.db2.gz YQTDKXDLMBQTFM-NSHDSACASA-N -1 3 328.397 3.132 20 30 EGEDHM C=CCCOCCCCC(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000342628466 457414086 /nfs/dbraw/zinc/41/40/86/457414086.db2.gz YNNVILPUFRSADA-UHFFFAOYSA-N -1 3 349.456 3.118 20 30 EGEDHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000355847126 457422380 /nfs/dbraw/zinc/42/23/80/457422380.db2.gz RYCXEAYUHKIICX-UHFFFAOYSA-N -1 3 336.800 3.215 20 30 EGEDHM COc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1C#N ZINC000357409487 457503555 /nfs/dbraw/zinc/50/35/55/457503555.db2.gz 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CC(C)(C)OC(=O)N=c1[n-]cc(C=NNCCc2ccccn2)s1 ZINC000496069987 459055302 /nfs/dbraw/zinc/05/53/02/459055302.db2.gz MAOVPUMTLVZJKW-UHFFFAOYSA-N -1 3 347.444 3.051 20 30 EGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC000496219199 459113209 /nfs/dbraw/zinc/11/32/09/459113209.db2.gz QFLAVSPNRSHJOU-CYBMUJFWSA-N -1 3 346.427 3.149 20 30 EGEDHM N#CC(=C([O-])c1cnn2c1CCC2)c1nc2ccccc2n1C(F)F ZINC000521973381 459197552 /nfs/dbraw/zinc/19/75/52/459197552.db2.gz AURVFPCUGCBORL-SNVBAGLBSA-N -1 3 341.321 3.064 20 30 EGEDHM N#CC(=C([O-])c1ccc2c(c1)CCC=C2)c1nnc2n1CCCCC2 ZINC000560230832 459313474 /nfs/dbraw/zinc/31/34/74/459313474.db2.gz LOHYGEFYVZHSMP-QGZVFWFLSA-N -1 3 332.407 3.454 20 30 EGEDHM C=CCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000538930074 459373666 /nfs/dbraw/zinc/37/36/66/459373666.db2.gz OUBKRSMMKZIXLX-UHFFFAOYSA-N -1 3 341.363 3.386 20 30 EGEDHM C=CCn1cccc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000489600211 459568251 /nfs/dbraw/zinc/56/82/51/459568251.db2.gz DNUOBSJJTNEETQ-UHFFFAOYSA-N -1 3 333.351 3.458 20 30 EGEDHM C=CCn1cccc1C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000489600211 459568253 /nfs/dbraw/zinc/56/82/53/459568253.db2.gz DNUOBSJJTNEETQ-UHFFFAOYSA-N -1 3 333.351 3.458 20 30 EGEDHM C=CCn1cccc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000489600211 459568260 /nfs/dbraw/zinc/56/82/60/459568260.db2.gz DNUOBSJJTNEETQ-UHFFFAOYSA-N -1 3 333.351 3.458 20 30 EGEDHM COC(=O)c1cc([O-])cc(-c2cccc(C3(C#N)CCOCC3)c2)c1 ZINC000596639121 459709347 /nfs/dbraw/zinc/70/93/47/459709347.db2.gz YWVHSHUPKQZCQL-UHFFFAOYSA-N -1 3 337.375 3.418 20 30 EGEDHM C=C[C@H](C)O[N-]C(=O)/C=C/c1ccc(OC(F)F)c(OCC)c1 ZINC000493420765 459744788 /nfs/dbraw/zinc/74/47/88/459744788.db2.gz OJGHAJFKSUABLH-DJYGCBNOSA-N -1 3 327.327 3.322 20 30 EGEDHM C=C(C)[C@H](CC(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-])OCC ZINC000588098355 459915387 /nfs/dbraw/zinc/91/53/87/459915387.db2.gz PCDRXFFJUXRFEU-ZDUSSCGKSA-N -1 3 341.791 3.142 20 30 EGEDHM N#Cc1cccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)n1 ZINC000589387418 460081875 /nfs/dbraw/zinc/08/18/75/460081875.db2.gz ZWIULFCHTQCVCM-UHFFFAOYSA-N -1 3 341.783 3.377 20 30 EGEDHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cccc(C#N)n2)s1 ZINC000589507400 460097604 /nfs/dbraw/zinc/09/76/04/460097604.db2.gz QNKFURBVGVABDU-UHFFFAOYSA-N -1 3 339.355 3.172 20 30 EGEDHM Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3[n-]ncc3C#N)cc12 ZINC000610620250 460199922 /nfs/dbraw/zinc/19/99/22/460199922.db2.gz KHIGMSLTJUEDFR-UHFFFAOYSA-N -1 3 348.391 3.243 20 30 EGEDHM CC(C)(CCC#N)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000599942097 460362518 /nfs/dbraw/zinc/36/25/18/460362518.db2.gz PFTPEHJQYKZROZ-UHFFFAOYSA-N -1 3 325.206 3.214 20 30 EGEDHM Cn1ncc(C2CC2)c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000659115047 461166776 /nfs/dbraw/zinc/16/67/76/461166776.db2.gz NWYUDJSDUWNIKI-LLVKDONJSA-N -1 3 334.301 3.201 20 30 EGEDHM C=CCCC[C@H](C)NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640296307 462352823 /nfs/dbraw/zinc/35/28/23/462352823.db2.gz LVZXYWVVZNFUBY-VIFPVBQESA-N -1 3 338.761 3.387 20 30 EGEDHM C=C(Cl)CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000178510911 526885362 /nfs/dbraw/zinc/88/53/62/526885362.db2.gz DLOHJQUEMZXMSX-UHFFFAOYSA-N -1 3 329.227 3.449 20 30 EGEDHM Cc1ncc(CO)c(C=Nc2cccc(Br)c2C)c1[O-] ZINC000726891008 574597186 /nfs/dbraw/zinc/59/71/86/574597186.db2.gz MRNBYSIKKNXZJQ-UHFFFAOYSA-N -1 3 335.201 3.409 20 30 EGEDHM COc1ccc2c(c1)CCC[C@H]2N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738073586 574650761 /nfs/dbraw/zinc/65/07/61/574650761.db2.gz HMNBQWVYHBRFDR-RTBURBONSA-N -1 3 336.391 3.360 20 30 EGEDHM Cc1cc2c(c(C)c1Cl)C(=N[N-]c1[nH+]cnc3[n-]cnc31)CCO2 ZINC000727778910 574690229 /nfs/dbraw/zinc/69/02/29/574690229.db2.gz SXIJWHBNTMFXAQ-UHFFFAOYSA-N -1 3 342.790 3.222 20 30 EGEDHM COc1cccc(N2CC[C@@H](/N=C/c3c([O-])cccc3OC)C2)c1 ZINC000728174602 574725867 /nfs/dbraw/zinc/72/58/67/574725867.db2.gz WOTSMUGYKSCLAD-MQMKENTISA-N -1 3 326.396 3.107 20 30 EGEDHM CCOc1ccc(/C=N/CCOc2cccc(NC(C)=O)c2)c([O-])c1 ZINC000729150099 574818973 /nfs/dbraw/zinc/81/89/73/574818973.db2.gz RZFHOBKFLDMMLS-DEDYPNTBSA-N -1 3 342.395 3.247 20 30 EGEDHM CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1ccc(C)cc1[O-] ZINC000729636882 574874686 /nfs/dbraw/zinc/87/46/86/574874686.db2.gz RFDVUJBEFLDINC-UHFFFAOYSA-N -1 3 342.468 3.477 20 30 EGEDHM C#CC(C)(C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000733898642 575407077 /nfs/dbraw/zinc/40/70/77/575407077.db2.gz OVGCMTLYZQOISI-UHFFFAOYSA-N -1 3 325.739 3.049 20 30 EGEDHM COc1cc(F)c([C@H](C)/N=C\c2ccc(O)c([O-])c2O)cc1OC ZINC000733902871 575407895 /nfs/dbraw/zinc/40/78/95/575407895.db2.gz CBNFRGCGBLUFOD-YIKFOQHTSA-N -1 3 335.331 3.140 20 30 EGEDHM COc1cc(F)c([C@@H](C)/N=C/c2ccc(O)c([O-])c2O)cc1OC ZINC000733902868 575408003 /nfs/dbraw/zinc/40/80/03/575408003.db2.gz CBNFRGCGBLUFOD-HURAESQDSA-N -1 3 335.331 3.140 20 30 EGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N(C)C)c(Cl)c1 ZINC000734233345 575459281 /nfs/dbraw/zinc/45/92/81/575459281.db2.gz CWFZFEILSVZKNW-UHFFFAOYSA-N -1 3 349.843 3.387 20 30 EGEDHM COc1cccc([O-])c1/C=N\C[C@H](c1c(F)cccc1F)N(C)C ZINC000734303477 575463974 /nfs/dbraw/zinc/46/39/74/575463974.db2.gz QYKWRQPRQGCTOV-IZBZYRJBSA-N -1 3 334.366 3.401 20 30 EGEDHM Cc1ccnc(-c2ccc(N=Cc3c([O-])c(C)ncc3CO)cc2)n1 ZINC000734303565 575464353 /nfs/dbraw/zinc/46/43/53/575464353.db2.gz UYKCBVVBKKJKDT-UHFFFAOYSA-N -1 3 334.379 3.104 20 30 EGEDHM COc1cccc([O-])c1/C=N/C[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000734752588 575549005 /nfs/dbraw/zinc/54/90/05/575549005.db2.gz HETIIKGPFTYGLL-JLWFYQMASA-N -1 3 329.396 3.341 20 30 EGEDHM C=CCN(Cc1ccc(Cl)nc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419533 575658416 /nfs/dbraw/zinc/65/84/16/575658416.db2.gz UOCYZBXFOKUUOQ-UHFFFAOYSA-N -1 3 340.818 3.103 20 30 EGEDHM C=CCN(Cc1ccc(Cl)nc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419533 575658420 /nfs/dbraw/zinc/65/84/20/575658420.db2.gz UOCYZBXFOKUUOQ-UHFFFAOYSA-N -1 3 340.818 3.103 20 30 EGEDHM C=CCOc1ccccc1CNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000735436535 575661447 /nfs/dbraw/zinc/66/14/47/575661447.db2.gz MPEKNDXXSDHAQQ-UHFFFAOYSA-N -1 3 336.399 3.055 20 30 EGEDHM C=CCOc1ccccc1CNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000735436535 575661451 /nfs/dbraw/zinc/66/14/51/575661451.db2.gz MPEKNDXXSDHAQQ-UHFFFAOYSA-N -1 3 336.399 3.055 20 30 EGEDHM CCCCCC[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736444121 575964968 /nfs/dbraw/zinc/96/49/68/575964968.db2.gz DBBFHHPQYJQOTF-LBPRGKRZSA-N -1 3 326.404 3.283 20 30 EGEDHM CCCCCC[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736444121 575964970 /nfs/dbraw/zinc/96/49/70/575964970.db2.gz DBBFHHPQYJQOTF-LBPRGKRZSA-N -1 3 326.404 3.283 20 30 EGEDHM CCO[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2)C12CCCCC2 ZINC000736616278 575989480 /nfs/dbraw/zinc/98/94/80/575989480.db2.gz MYWTYPQSGJDEJQ-MRXNPFEDSA-N -1 3 340.431 3.394 20 30 EGEDHM CCO[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C12CCCCC2 ZINC000736616278 575989483 /nfs/dbraw/zinc/98/94/83/575989483.db2.gz MYWTYPQSGJDEJQ-MRXNPFEDSA-N -1 3 340.431 3.394 20 30 EGEDHM C=C(C)[C@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000755987555 575997393 /nfs/dbraw/zinc/99/73/93/575997393.db2.gz AZIIGCSJRMDBMX-NSHDSACASA-N -1 3 343.420 3.024 20 30 EGEDHM N#Cc1ccc([C@H](NCc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000739105780 576378153 /nfs/dbraw/zinc/37/81/53/576378153.db2.gz JDHGZSFKOVEDKT-HNNXBMFYSA-N -1 3 334.297 3.493 20 30 EGEDHM N#Cc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)c1 ZINC000739133096 576379452 /nfs/dbraw/zinc/37/94/52/576379452.db2.gz AIXFKFRGEJVSAH-OAHLLOKOSA-N -1 3 334.297 3.493 20 30 EGEDHM N#Cc1ccc(F)c(CNCc2cccc(Br)c2[O-])c1 ZINC000742381668 576776438 /nfs/dbraw/zinc/77/64/38/576776438.db2.gz BUYZVPGFEAWRTP-UHFFFAOYSA-N -1 3 335.176 3.455 20 30 EGEDHM COC(=O)C[C@@H](/N=C/c1ccc(O)c([O-])c1O)c1cccc(Cl)c1 ZINC000743502937 576810573 /nfs/dbraw/zinc/81/05/73/576810573.db2.gz MCPRWVPDYMFOIA-VDLQQMNMSA-N -1 3 349.770 3.180 20 30 EGEDHM COc1ccc(-c2nnn[n-]2)cc1CSc1ccc(C#N)cc1F ZINC000821752098 607379306 /nfs/dbraw/zinc/37/93/06/607379306.db2.gz GLTSOHAILMHITR-UHFFFAOYSA-N -1 3 341.371 3.178 20 30 EGEDHM COc1ccc(-c2nn[n-]n2)cc1CSc1ccc(C#N)cc1F ZINC000821752098 607379308 /nfs/dbraw/zinc/37/93/08/607379308.db2.gz GLTSOHAILMHITR-UHFFFAOYSA-N -1 3 341.371 3.178 20 30 EGEDHM Cc1csc(C(C#N)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)n1 ZINC000832988916 601499562 /nfs/dbraw/zinc/49/95/62/601499562.db2.gz OGKVBEZWZXJRPM-CYBMUJFWSA-N -1 3 344.392 3.022 20 30 EGEDHM COc1cc(OC)cc([C@H](N[C@@H](C)c2cccc(C#N)c2)C(=O)[O-])c1 ZINC000832049802 602176156 /nfs/dbraw/zinc/17/61/56/602176156.db2.gz KHTNJNDVKCSBRC-SGTLLEGYSA-N -1 3 340.379 3.052 20 30 EGEDHM COc1ccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)cc1C#N ZINC000826203666 607559654 /nfs/dbraw/zinc/55/96/54/607559654.db2.gz AJLDVIGXRDSLBK-UHFFFAOYSA-N -1 3 340.774 3.012 20 30 EGEDHM COc1ccc(CNc2ccc(Cl)cc2-c2nn[n-]n2)cc1C#N ZINC000826203666 607559656 /nfs/dbraw/zinc/55/96/56/607559656.db2.gz AJLDVIGXRDSLBK-UHFFFAOYSA-N -1 3 340.774 3.012 20 30 EGEDHM CC(C)c1csc(C(C#N)C(=O)Nc2ccccc2C(=O)[O-])n1 ZINC000833511369 604624549 /nfs/dbraw/zinc/62/45/49/604624549.db2.gz NZJOUXRLHIFSSS-LLVKDONJSA-N -1 3 329.381 3.211 20 30 EGEDHM C=CCC(CC=C)C(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819734513 606939123 /nfs/dbraw/zinc/93/91/23/606939123.db2.gz PNRJLUWAMDJHSO-UHFFFAOYSA-N -1 3 337.427 3.150 20 30 EGEDHM C=CCC(CC=C)C(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819734513 606939124 /nfs/dbraw/zinc/93/91/24/606939124.db2.gz PNRJLUWAMDJHSO-UHFFFAOYSA-N -1 3 337.427 3.150 20 30 EGEDHM N#Cc1ccc(F)c(CNc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822830188 607124291 /nfs/dbraw/zinc/12/42/91/607124291.db2.gz WQKZPQWTZKDIDU-UHFFFAOYSA-N -1 3 328.738 3.143 20 30 EGEDHM COc1ccc2c(c1)CCC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826212321 607883270 /nfs/dbraw/zinc/88/32/70/607883270.db2.gz NEEBWOACWHWSDC-GXDHUFHOSA-N -1 3 332.363 3.088 20 30 EGEDHM COc1ccc2c(c1)CCC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826212321 607883271 /nfs/dbraw/zinc/88/32/71/607883271.db2.gz NEEBWOACWHWSDC-GXDHUFHOSA-N -1 3 332.363 3.088 20 30 EGEDHM C=C[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000823882736 607994524 /nfs/dbraw/zinc/99/45/24/607994524.db2.gz CMOZCGXBDTVAGL-AWEZNQCLSA-N -1 3 333.395 3.474 20 30 EGEDHM C=C[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000823882736 607994525 /nfs/dbraw/zinc/99/45/25/607994525.db2.gz CMOZCGXBDTVAGL-AWEZNQCLSA-N -1 3 333.395 3.474 20 30 EGEDHM C#CCCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000823838175 608300907 /nfs/dbraw/zinc/30/09/07/608300907.db2.gz KWZNTKWAUHVYHP-UHFFFAOYSA-N -1 3 339.443 3.045 20 30 EGEDHM C#CCCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000823838175 608300908 /nfs/dbraw/zinc/30/09/08/608300908.db2.gz KWZNTKWAUHVYHP-UHFFFAOYSA-N -1 3 339.443 3.045 20 30 EGEDHM Fc1ccc(CC=CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826374440 608539655 /nfs/dbraw/zinc/53/96/55/608539655.db2.gz YSNKSNKMRKNCKL-LAUPZEIISA-N -1 3 343.753 3.165 20 30 EGEDHM Fc1ccc(CC=CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826374440 608539656 /nfs/dbraw/zinc/53/96/56/608539656.db2.gz YSNKSNKMRKNCKL-LAUPZEIISA-N -1 3 343.753 3.165 20 30 EGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475739 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COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000826190817 609471632 /nfs/dbraw/zinc/47/16/32/609471632.db2.gz NZKZDPIUOLTHBH-UHFFFAOYSA-N -1 3 346.753 3.114 20 30 EGEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000826190817 609471634 /nfs/dbraw/zinc/47/16/34/609471634.db2.gz NZKZDPIUOLTHBH-UHFFFAOYSA-N -1 3 346.753 3.114 20 30 EGEDHM C[C@@]1(C#N)CCCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000824776973 609600151 /nfs/dbraw/zinc/60/01/51/609600151.db2.gz GFBGLLHRKKOGJD-AWEZNQCLSA-N -1 3 336.321 3.016 20 30 EGEDHM C[C@@]1(C#N)CCCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000824779932 609600515 /nfs/dbraw/zinc/60/05/15/609600515.db2.gz YFDMDYSBAUTNTM-AWEZNQCLSA-N -1 3 336.321 3.016 20 30 EGEDHM C[C@@]1(C#N)CCCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000824779932 609600516 /nfs/dbraw/zinc/60/05/16/609600516.db2.gz YFDMDYSBAUTNTM-AWEZNQCLSA-N -1 3 336.321 3.016 20 30 EGEDHM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1ccc(F)cc1 ZINC000769812007 1303179461 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C=CCN(Cc1ccc(OC)cc1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001588832744 984325729 /nfs/dbraw/zinc/32/57/29/984325729.db2.gz OKFFLYKKKPHMKY-IBGZPJMESA-N -1 3 336.391 3.381 20 30 EGEDHM C[C@@H](C#N)Oc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC001589335653 986212296 /nfs/dbraw/zinc/21/22/96/986212296.db2.gz SJXAPCCEPSOKNN-LIRRHRJNSA-N -1 3 336.391 3.161 20 30 EGEDHM CC(C)(C#N)c1ccccc1CN[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001589560377 987313042 /nfs/dbraw/zinc/31/30/42/987313042.db2.gz ALWYXUOZGBKOQA-HXUWFJFHSA-N -1 3 337.423 3.362 20 30 EGEDHM CN1CCC[C@@H](N[C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC001598592525 993456704 /nfs/dbraw/zinc/45/67/04/993456704.db2.gz AATITZXAGRYNLX-MJGOQNOKSA-N -1 3 335.407 3.245 20 30 EGEDHM CN1CCC[C@H](N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC001598592528 993456719 /nfs/dbraw/zinc/45/67/19/993456719.db2.gz AATITZXAGRYNLX-PKOBYXMFSA-N -1 3 335.407 3.245 20 30 EGEDHM Cc1ccc(C(=O)CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)s1 ZINC000036714223 213113422 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CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185035421 266345849 /nfs/dbraw/zinc/34/58/49/266345849.db2.gz DCSPUTIMJKAPTB-CHWSQXEVSA-N -1 3 344.889 3.164 20 30 EGEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000317645415 267163469 /nfs/dbraw/zinc/16/34/69/267163469.db2.gz QYSKELWDSJSAAP-GFCCVEGCSA-N -1 3 334.828 3.294 20 30 EGEDHM Cc1sc([N-]C(=O)c2cn(Cc3cccs3)nn2)c(C#N)c1C ZINC000443818713 268108831 /nfs/dbraw/zinc/10/88/31/268108831.db2.gz SVKOPXPCGFLZFO-UHFFFAOYSA-N -1 3 343.437 3.190 20 30 EGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000443078069 268181879 /nfs/dbraw/zinc/18/18/79/268181879.db2.gz MLWPEAJFHQSEFN-CYBMUJFWSA-N -1 3 346.839 3.220 20 30 EGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1 ZINC000443088306 268182440 /nfs/dbraw/zinc/18/24/40/268182440.db2.gz MWHFKVKBNGBBAZ-UHFFFAOYSA-N -1 3 341.219 3.344 20 30 EGEDHM Cn1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nn1 ZINC000361019898 294227051 /nfs/dbraw/zinc/22/70/51/294227051.db2.gz 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C=C(C)COC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000046451864 1291538927 /nfs/dbraw/zinc/53/89/27/1291538927.db2.gz VEMRPENKELUTCA-GOSISDBHSA-N -1 3 339.391 3.373 20 30 EGEDHM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cnc1Cl ZINC000123734915 1293453771 /nfs/dbraw/zinc/45/37/71/1293453771.db2.gz WXHVPHCQUWTGTJ-UHFFFAOYSA-N -1 3 342.207 3.369 20 30 EGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(Cl)c(Cl)c1 ZINC000125153636 1293497800 /nfs/dbraw/zinc/49/78/00/1293497800.db2.gz RPGPHIHSNPUKSO-JTQLQIEISA-N -1 3 334.162 3.350 20 30 EGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cccc3c[nH]nc32)cc1 ZINC000128516288 1293596776 /nfs/dbraw/zinc/59/67/76/1293596776.db2.gz MUHKSYYMPWBPTM-INIZCTEOSA-N -1 3 332.363 3.086 20 30 EGEDHM C=C(C)CO[N-]C(=O)Cc1c(C)[nH]c2ccc(Br)cc21 ZINC000846537142 1321791446 /nfs/dbraw/zinc/79/14/46/1321791446.db2.gz BVOPUVUFOCONBS-UHFFFAOYSA-N -1 3 337.217 3.405 20 30 EGEDHM CCc1cc(N2CCC(/N=C/c3cc(Cl)ccc3[O-])CC2)ncn1 ZINC000175067104 1294537720 /nfs/dbraw/zinc/53/77/20/1294537720.db2.gz 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C=CCCO[N-]C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000856029726 1325441275 /nfs/dbraw/zinc/44/12/75/1325441275.db2.gz ALQBYMOTQBKTQA-UHFFFAOYSA-N -1 3 335.791 3.337 20 30 EGEDHM C=CCCO[N-]C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000862217515 1329466776 /nfs/dbraw/zinc/46/67/76/1329466776.db2.gz HUWUHMFZCUGBPF-UHFFFAOYSA-N -1 3 326.396 3.073 20 30 EGEDHM N#Cc1ccccc1CN1CCCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001034113104 1342249275 /nfs/dbraw/zinc/24/92/75/1342249275.db2.gz FZIRQGVMWUQJQA-SFHVURJKSA-N -1 3 349.434 3.048 20 30 EGEDHM C[C@@H]1CC[C@@H](NC(=O)c2ccccc2[O-])CN1Cc1ccc(C#N)cc1 ZINC001071355907 1354624997 /nfs/dbraw/zinc/62/49/97/1354624997.db2.gz CVRTYSXTUQAKRA-CRAIPNDOSA-N -1 3 349.434 3.047 20 30 EGEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001074995282 1356283383 /nfs/dbraw/zinc/28/33/83/1356283383.db2.gz MQBRAOKAJJLYLU-LSDHHAIUSA-N -1 3 344.455 3.104 20 30 EGEDHM C=CC(C)(C)CC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001082097302 1357944432 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CC(C)(C)Oc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1C#N ZINC001158951618 1381482592 /nfs/dbraw/zinc/48/25/92/1381482592.db2.gz VQYYGOQVNDUMSZ-UHFFFAOYSA-N -1 3 335.367 3.259 20 30 EGEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(Cl)nc2cc(Cl)ccc21 ZINC001160174789 1382025174 /nfs/dbraw/zinc/02/51/74/1382025174.db2.gz OXYNGWPKLULUAK-CPFSXVBKSA-N -1 3 326.183 3.190 20 30 EGEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(OCc2ccccc2)c(F)c1F ZINC001171364828 1384503469 /nfs/dbraw/zinc/50/34/69/1384503469.db2.gz BSGDHMPIXRJTOS-GTNSWQLSSA-N -1 3 348.349 3.192 20 30 EGEDHM COc1cc(C(=O)/C=C\c2ccc(O)cc2OC)c(OC)cc1[O-] ZINC001319360576 1386077961 /nfs/dbraw/zinc/07/79/61/1386077961.db2.gz IXNKSZNRVYSCSP-ALCCZGGFSA-N -1 3 330.336 3.020 20 30 EGEDHM CCCCCCC[C@@H](C)C(=O)Nc1n[n-]c(SC)c1C(N)=O ZINC001181112088 1386938790 /nfs/dbraw/zinc/93/87/90/1386938790.db2.gz MGIBFUYYPOGUMZ-SNVBAGLBSA-N -1 3 326.466 3.166 20 30 EGEDHM C=CCn1c(-c2cccc(CC(=C)C)c2[O-])nnc1N(C)CCOC ZINC001341998137 1390560083 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C=CCN(Cc1ccc(C)s1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823915453 1429435078 /nfs/dbraw/zinc/43/50/78/1429435078.db2.gz YJCIYUHRNBUAKY-UHFFFAOYSA-N -1 3 325.441 3.425 20 30 EGEDHM C=C(C)[C@H](CO)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823873141 1424651888 /nfs/dbraw/zinc/65/18/88/1424651888.db2.gz JIGIHJMBBPDJIG-LIRRHRJNSA-N -1 3 349.438 3.121 20 30 EGEDHM N#Cc1ccc(CN(Cc2ccc(F)cc2-c2nnn[n-]2)C2CC2)cc1 ZINC000737710880 1429770033 /nfs/dbraw/zinc/77/00/33/1429770033.db2.gz CSOFDRIVIZDVDS-UHFFFAOYSA-N -1 3 348.385 3.042 20 30 EGEDHM CC(C)N(CC#Cc1ccc(F)cc1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824289162 1429940868 /nfs/dbraw/zinc/94/08/68/1429940868.db2.gz WIUHIRWEWYRCGN-UHFFFAOYSA-N -1 3 349.413 3.268 20 30 EGEDHM CC(C)N(CC#Cc1ccc(F)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824289162 1429940870 /nfs/dbraw/zinc/94/08/70/1429940870.db2.gz WIUHIRWEWYRCGN-UHFFFAOYSA-N -1 3 349.413 3.268 20 30 EGEDHM C[C@H](NCC#Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824553568 1443231189 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ZINC000739107523 576378346 /nfs/dbraw/zinc/37/83/46/576378346.db2.gz RNYDCILSGMRUTF-MRXNPFEDSA-N -1 3 330.771 3.006 20 30 EGEDHM Cc1ncc(CO)c(/C=N\CC2(c3cccc(Cl)c3)CC2)c1[O-] ZINC000739426461 576410550 /nfs/dbraw/zinc/41/05/50/576410550.db2.gz MKBDYUHCJXSKAL-UKWGHVSLSA-N -1 3 330.815 3.392 20 30 EGEDHM CCOc1ccc(/C=N/[C@H]2CCN(Cc3ccccc3)C2=O)c([O-])c1 ZINC000743538523 576811445 /nfs/dbraw/zinc/81/14/45/576811445.db2.gz MNJDYOKPYBNVRJ-LANLRWRYSA-N -1 3 338.407 3.011 20 30 EGEDHM CC[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000828983195 601380388 /nfs/dbraw/zinc/38/03/88/601380388.db2.gz PHFCSRFFWDSUIH-SJORKVTESA-N -1 3 339.351 3.333 20 30 EGEDHM Cc1ccc(/C=C/CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000822233598 606622663 /nfs/dbraw/zinc/62/26/63/606622663.db2.gz RTYQTPBBWGPUGL-NSCUHMNNSA-N -1 3 344.378 3.089 20 30 EGEDHM Cc1ccc(/C=C/CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000822233598 606622664 /nfs/dbraw/zinc/62/26/64/606622664.db2.gz RTYQTPBBWGPUGL-NSCUHMNNSA-N -1 3 344.378 3.089 20 30 EGEDHM Cc1cc(C)c(C#N)c(SCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000822192933 607037869 /nfs/dbraw/zinc/03/78/69/607037869.db2.gz GFZLCKQHJFSRNZ-UHFFFAOYSA-N -1 3 340.387 3.182 20 30 EGEDHM Cc1cc(C)c(C#N)c(SCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000822192933 607037870 /nfs/dbraw/zinc/03/78/70/607037870.db2.gz GFZLCKQHJFSRNZ-UHFFFAOYSA-N -1 3 340.387 3.182 20 30 EGEDHM Cn1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000826358425 607884842 /nfs/dbraw/zinc/88/48/42/607884842.db2.gz SWMFNRRNKPVTED-KHPPLWFESA-N -1 3 329.363 3.255 20 30 EGEDHM Cn1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000826358425 607884843 /nfs/dbraw/zinc/88/48/43/607884843.db2.gz SWMFNRRNKPVTED-KHPPLWFESA-N -1 3 329.363 3.255 20 30 EGEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000823883391 607979873 /nfs/dbraw/zinc/97/98/73/607979873.db2.gz PZJGORJQKSJRKC-ZDUSSCGKSA-N -1 3 349.394 3.174 20 30 EGEDHM C=C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000823883391 607979874 /nfs/dbraw/zinc/97/98/74/607979874.db2.gz PZJGORJQKSJRKC-ZDUSSCGKSA-N -1 3 349.394 3.174 20 30 EGEDHM C[C@H](Nc1ccc2cc(C#N)ccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662961 608229453 /nfs/dbraw/zinc/22/94/53/608229453.db2.gz TYEQDJRPSFZDQQ-LBPRGKRZSA-N -1 3 341.378 3.460 20 30 EGEDHM C[C@H](Nc1ccc2cc(C#N)ccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662961 608229454 /nfs/dbraw/zinc/22/94/54/608229454.db2.gz TYEQDJRPSFZDQQ-LBPRGKRZSA-N -1 3 341.378 3.460 20 30 EGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000826349964 608535853 /nfs/dbraw/zinc/53/58/53/608535853.db2.gz BIAVYLQCRPZMFN-CHWSQXEVSA-N -1 3 339.790 3.117 20 30 EGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000826349964 608535854 /nfs/dbraw/zinc/53/58/54/608535854.db2.gz BIAVYLQCRPZMFN-CHWSQXEVSA-N -1 3 339.790 3.117 20 30 EGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccccc2C2CC2)n1 ZINC000826350240 608536681 /nfs/dbraw/zinc/53/66/81/608536681.db2.gz NLDWPJDYXFTHNO-UHFFFAOYSA-N -1 3 339.790 3.239 20 30 EGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccccc2C2CC2)n1 ZINC000826350240 608536682 /nfs/dbraw/zinc/53/66/82/608536682.db2.gz NLDWPJDYXFTHNO-UHFFFAOYSA-N -1 3 339.790 3.239 20 30 EGEDHM Cc1cc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(C)s1 ZINC000823954096 608537920 /nfs/dbraw/zinc/53/79/20/608537920.db2.gz YWZRKXYLEHHDGF-UHFFFAOYSA-N -1 3 347.835 3.430 20 30 EGEDHM Cc1cc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(C)s1 ZINC000823954096 608537921 /nfs/dbraw/zinc/53/79/21/608537921.db2.gz YWZRKXYLEHHDGF-UHFFFAOYSA-N -1 3 347.835 3.430 20 30 EGEDHM Clc1cscc1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826351117 608537983 /nfs/dbraw/zinc/53/79/83/608537983.db2.gz XPOOAVMJOULGSZ-UHFFFAOYSA-N -1 3 340.199 3.076 20 30 EGEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000826190436 609271912 /nfs/dbraw/zinc/27/19/12/609271912.db2.gz BHWLJQRAXLIPHE-CLTKARDFSA-N -1 3 338.342 3.219 20 30 EGEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000826190436 609271914 /nfs/dbraw/zinc/27/19/14/609271914.db2.gz BHWLJQRAXLIPHE-CLTKARDFSA-N -1 3 338.342 3.219 20 30 EGEDHM O=C1c2ccc(F)cc2OCCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826475670 609372404 /nfs/dbraw/zinc/37/24/04/609372404.db2.gz MPXNKRNHLNGXEZ-VQHVLOKHSA-N -1 3 342.355 3.116 20 30 EGEDHM Cc1ccnc(N(Cc2ccc(C#N)cc2)CC(C)C)c1-c1nnn[n-]1 ZINC000826309099 609542112 /nfs/dbraw/zinc/54/21/12/609542112.db2.gz DFGSRBJHBNCJJR-UHFFFAOYSA-N -1 3 347.426 3.104 20 30 EGEDHM Cc1ccnc(N(Cc2ccc(C#N)cc2)CC(C)C)c1-c1nn[n-]n1 ZINC000826309099 609542113 /nfs/dbraw/zinc/54/21/13/609542113.db2.gz DFGSRBJHBNCJJR-UHFFFAOYSA-N -1 3 347.426 3.104 20 30 EGEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC[C@](C)(C#N)C3)c2c1 ZINC000826263815 609600915 /nfs/dbraw/zinc/60/09/15/609600915.db2.gz RRQSUJWWAZALHR-LJQANCHMSA-N -1 3 347.426 3.162 20 30 EGEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC[C@](C)(C#N)C3)c2c1 ZINC000826263815 609600917 /nfs/dbraw/zinc/60/09/17/609600917.db2.gz RRQSUJWWAZALHR-LJQANCHMSA-N -1 3 347.426 3.162 20 30 EGEDHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1cccc2ccccc21 ZINC000769819398 1303179850 /nfs/dbraw/zinc/17/98/50/1303179850.db2.gz QDPVBUGAWNMHGG-UHFFFAOYSA-N -1 3 332.367 3.058 20 30 EGEDHM C=CCOC(=O)c1sc2[n-]c(-c3cc(C)ccn3)nc(=O)c2c1C ZINC000111665037 1293109768 /nfs/dbraw/zinc/10/97/68/1293109768.db2.gz GFBHWAGYHOSJCL-UHFFFAOYSA-N -1 3 341.392 3.006 20 30 EGEDHM COc1cc(OC)cc([C@@H](O)C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000118169668 1293229373 /nfs/dbraw/zinc/22/93/73/1293229373.db2.gz IRRBRNGEJWVIJF-IFQVXRHPSA-N -1 3 335.787 3.215 20 30 EGEDHM CCCc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)sc1C ZINC000126412757 1293533605 /nfs/dbraw/zinc/53/36/05/1293533605.db2.gz DRTKOOXQVFPXNP-CYBMUJFWSA-N -1 3 327.409 3.365 20 30 EGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)cc1 ZINC000128397226 1293592395 /nfs/dbraw/zinc/59/23/95/1293592395.db2.gz VBSYSSZRNHIRCU-MRXNPFEDSA-N -1 3 328.318 3.488 20 30 EGEDHM N#CC(=C([O-])C=CCCc1ccccc1)c1nnc2n1CCCCC2 ZINC000870162364 1295712647 /nfs/dbraw/zinc/71/26/47/1295712647.db2.gz GZNWLYSXMQWLMJ-CRVDFBCUSA-N -1 3 334.423 3.370 20 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/nfs/dbraw/zinc/95/87/91/1300958791.db2.gz AHFDVHLASAMSOZ-HNIBHBHRSA-N -1 3 333.819 3.385 20 30 EGEDHM C=CCC[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C1CC1 ZINC000759493759 1301102039 /nfs/dbraw/zinc/10/20/39/1301102039.db2.gz XRYCPXKPQMLYHB-OAHLLOKOSA-N -1 3 341.404 3.099 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(CC(C)C)CC1 ZINC000760935172 1301364367 /nfs/dbraw/zinc/36/43/67/1301364367.db2.gz KUKFTGUBNCBXRE-UHFFFAOYSA-N -1 3 343.471 3.493 20 30 EGEDHM COc1cc(C(=O)/C=C\c2cccc(OCC#N)c2)c(OC)cc1[O-] ZINC000763104334 1301823850 /nfs/dbraw/zinc/82/38/50/1301823850.db2.gz DJQDUTMUHRSHDM-SREVYHEPSA-N -1 3 339.347 3.208 20 30 EGEDHM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)CCC1CCCC1 ZINC000882709344 1302072431 /nfs/dbraw/zinc/07/24/31/1302072431.db2.gz GBIOQXQAUMILEQ-UHFFFAOYSA-N -1 3 326.393 3.050 20 30 EGEDHM CCC(N=Nc1ccccc1S(C)(=O)=O)c1ccc([O-])c(F)c1 ZINC000764692064 1302118872 /nfs/dbraw/zinc/11/88/72/1302118872.db2.gz ISEPVDJEQXCXBG-UHFFFAOYSA-N -1 3 336.388 3.161 20 30 EGEDHM COc1cc(Br)cc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000765498202 1302272369 /nfs/dbraw/zinc/27/23/69/1302272369.db2.gz ADFWNYGUECYSLM-UHFFFAOYSA-N -1 3 338.157 3.325 20 30 EGEDHM COC(=O)c1coc(C(=O)/C=C\c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000766503808 1302464451 /nfs/dbraw/zinc/46/44/51/1302464451.db2.gz ZHYXFGJVWCMGIG-ARJAWSKDSA-N -1 3 336.727 3.330 20 30 EGEDHM Cc1ccc(C(=O)/C=C\c2ccc(N3CCN(C)CC3)cc2)c([O-])c1 ZINC000771524378 1303415908 /nfs/dbraw/zinc/41/59/08/1303415908.db2.gz IVOAXLPCDISFQA-POHAHGRESA-N -1 3 336.435 3.349 20 30 EGEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)ccc1C#N ZINC000775049979 1303895307 /nfs/dbraw/zinc/89/53/07/1303895307.db2.gz ACFPEFHIVITJFW-UHFFFAOYSA-N -1 3 349.843 3.387 20 30 EGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1cccc(Cl)c1 ZINC000776275518 1304126494 /nfs/dbraw/zinc/12/64/94/1304126494.db2.gz SUYJYTVGUJRUCU-SNVBAGLBSA-N -1 3 344.754 3.101 20 30 EGEDHM CCOc1cc(C=NN[C@@H]2CCOC(C)(C)C2)cc(Cl)c1[O-] ZINC000780251367 1304665560 /nfs/dbraw/zinc/66/55/60/1304665560.db2.gz BHYNATUOQPBETQ-GFCCVEGCSA-N -1 3 326.824 3.325 20 30 EGEDHM COc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cc(OC)c1[O-] ZINC000784362189 1305234256 /nfs/dbraw/zinc/23/42/56/1305234256.db2.gz WJTKNOGWDXLKAN-NSHDSACASA-N -1 3 327.336 3.199 20 30 EGEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3c[nH]c(C#N)c3)nc(=O)c2c1C ZINC000786902610 1305653293 /nfs/dbraw/zinc/65/32/93/1305653293.db2.gz ZQEGQNGEOVGEDX-MRVPVSSYSA-N -1 3 342.380 3.132 20 30 EGEDHM Cc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c2ccccn12 ZINC000792100963 1309121390 /nfs/dbraw/zinc/12/13/90/1309121390.db2.gz QFVZNLPISQTSJD-ZDUSSCGKSA-N -1 3 327.347 3.076 20 30 EGEDHM O=C(N1CCCC1)N1CCC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000794675688 1309570353 /nfs/dbraw/zinc/57/03/53/1309570353.db2.gz FEGVBGMSQFYNCQ-MXDDHBLUSA-N -1 3 335.835 3.145 20 30 EGEDHM COCCC[C@@H](Cc1ccccc1)/N=C\c1c([O-])c(C)ncc1CO ZINC000794835377 1309605340 /nfs/dbraw/zinc/60/53/40/1309605340.db2.gz WYODJTQPXSIEQD-FPJJECCMSA-N -1 3 342.439 3.045 20 30 EGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1[O-] ZINC000794848473 1309608578 /nfs/dbraw/zinc/60/85/78/1309608578.db2.gz OOZZCFQSPDVKOB-WCIAWYDSSA-N -1 3 328.387 3.482 20 30 EGEDHM CCCCCCCC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799021282 1310468953 /nfs/dbraw/zinc/46/89/53/1310468953.db2.gz UBFLNASAQBEYRT-UHFFFAOYSA-N -1 3 336.398 3.264 20 30 EGEDHM C=C(C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 ZINC000805121860 1317318238 /nfs/dbraw/zinc/31/82/38/1317318238.db2.gz JSMWWXBANIEOPK-UHFFFAOYSA-N -1 3 343.235 3.380 20 30 EGEDHM CC(C)NC(=O)CCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370354 1317411058 /nfs/dbraw/zinc/41/10/58/1317411058.db2.gz XXAWEIDDFZJSNN-UHFFFAOYSA-N -1 3 328.412 3.253 20 30 EGEDHM CSc1nc(C)c(CCC(=O)N([O-])Cc2ccc(F)cc2)c(C)n1 ZINC000901375667 1317412165 /nfs/dbraw/zinc/41/21/65/1317412165.db2.gz IZKOBNRYVKIMFH-UHFFFAOYSA-N -1 3 349.431 3.305 20 30 EGEDHM COc1cc(C(=O)N([O-])Cc2ccc(F)cc2)cc([N+](=O)[O-])c1C ZINC000901373371 1317412406 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O=C([C@@H]1CCO[C@H]1c1ccncc1)N([O-])Cc1ccccc1Cl ZINC000904193431 1317809190 /nfs/dbraw/zinc/80/91/90/1317809190.db2.gz OKASJBDWJNRHBA-ZBFHGGJFSA-N -1 3 332.787 3.231 20 30 EGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc3c(c(Cl)c2)OCO3)c1 ZINC000811183897 1318118043 /nfs/dbraw/zinc/11/80/43/1318118043.db2.gz ALOJPRJYJVFJDP-UHFFFAOYSA-N -1 3 331.711 3.003 20 30 EGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1ccc(Cl)cc1 ZINC000811186304 1318119889 /nfs/dbraw/zinc/11/98/89/1318119889.db2.gz KAIFDCFCOZRWLU-JTQLQIEISA-N -1 3 329.739 3.345 20 30 EGEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000811186688 1318120484 /nfs/dbraw/zinc/12/04/84/1318120484.db2.gz UOFNCQVHWKPTDY-UHFFFAOYSA-N -1 3 349.264 3.322 20 30 EGEDHM COc1cc(C(=O)/C=C/c2cccc(F)c2C#N)c(OC)cc1[O-] ZINC000811693419 1318228544 /nfs/dbraw/zinc/22/85/44/1318228544.db2.gz MNTGXNJSMJVBCP-VOTSOKGWSA-N -1 3 327.311 3.316 20 30 EGEDHM C=C(Cl)CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2[O-])C1 ZINC001021529695 1318366265 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CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C)c(C)n1 ZINC000842290044 1321368114 /nfs/dbraw/zinc/36/81/14/1321368114.db2.gz YRIFYKVZSSAHAP-AWEZNQCLSA-N -1 3 337.379 3.058 20 30 EGEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)CC1(CCOCC1)CC2 ZINC000844700374 1321637785 /nfs/dbraw/zinc/63/77/85/1321637785.db2.gz ZDDXMTUOWBQQJH-NSHDSACASA-N -1 3 337.445 3.056 20 30 EGEDHM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000846552160 1321793161 /nfs/dbraw/zinc/79/31/61/1321793161.db2.gz ZPLULPFRIWMTAN-OLZOCXBDSA-N -1 3 331.441 3.135 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC=C(Cl)Cl ZINC000849663788 1322129457 /nfs/dbraw/zinc/12/94/57/1322129457.db2.gz YHXDISTWTMJRPX-UHFFFAOYSA-N -1 3 329.183 3.071 20 30 EGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(Cl)cc1Cl ZINC000920387993 1322170837 /nfs/dbraw/zinc/17/08/37/1322170837.db2.gz XEARRCMHTUBODT-UHFFFAOYSA-N -1 3 343.235 3.447 20 30 EGEDHM Cc1ncc(CO)c(/C=N\Cc2nc3cc(Cl)ccc3s2)c1[O-] ZINC000920480523 1322182872 /nfs/dbraw/zinc/18/28/72/1322182872.db2.gz 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C=C(C)CCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001073406529 1355761306 /nfs/dbraw/zinc/76/13/06/1355761306.db2.gz YKRAPFTWAHNEIN-KRWDZBQOSA-N -1 3 344.455 3.105 20 30 EGEDHM CCN(CCCNC(=O)c1ccccc1[O-])c1cccc(F)c1C#N ZINC001095829463 1362248237 /nfs/dbraw/zinc/24/82/37/1362248237.db2.gz NYLOYRKHRLSXIE-UHFFFAOYSA-N -1 3 341.386 3.049 20 30 EGEDHM C=CCCc1ccc(C(=O)Nc2c([O-])cccc2C(C)=O)c(=O)[nH]1 ZINC001185364383 1387692322 /nfs/dbraw/zinc/69/23/22/1387692322.db2.gz LCBQXKQPBIBLIG-UHFFFAOYSA-N -1 3 326.352 3.066 20 30 EGEDHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1F ZINC001185829552 1387809324 /nfs/dbraw/zinc/80/93/24/1387809324.db2.gz SQMYOADYFISBOM-UHFFFAOYSA-N -1 3 326.299 3.085 20 30 EGEDHM Cc1noc([N-]C(=O)c2cc(F)c(F)c(C(F)(F)F)c2)c1C#N ZINC001189335949 1366995893 /nfs/dbraw/zinc/99/58/93/1366995893.db2.gz MWQMRWIKSYXTGN-UHFFFAOYSA-N -1 3 331.200 3.404 20 30 EGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2cccc(F)c2F)c(Cl)c1 ZINC001189417176 1367016973 /nfs/dbraw/zinc/01/69/73/1367016973.db2.gz 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COC(=O)[C@@H](C)CO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001205938553 1370917576 /nfs/dbraw/zinc/91/75/76/1370917576.db2.gz NYOCNEDQLHYRSC-MZBCUIFASA-N -1 3 327.380 3.432 20 30 EGEDHM Cc1nc2ccccc2c(-c2nc(-c3ccc(C#N)cn3)no2)c1[O-] ZINC001217133405 1373392265 /nfs/dbraw/zinc/39/22/65/1373392265.db2.gz WEZZJDOGJIHRBK-UHFFFAOYSA-N -1 3 329.319 3.233 20 30 EGEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cccc(/C=N/[O-])c1 ZINC001226113956 1375205420 /nfs/dbraw/zinc/20/54/20/1375205420.db2.gz BZJGJCOBHCKCTB-ZVCOJXFSSA-N -1 3 332.400 3.439 20 30 EGEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1ncc(Br)cc1[O-] ZINC001228957943 1375725572 /nfs/dbraw/zinc/72/55/72/1375725572.db2.gz YYHCFJKBXPTGTA-SNVBAGLBSA-N -1 3 344.205 3.215 20 30 EGEDHM C=C[C@]1(C)CC[C@H](Oc2ccc(-c3nnn[n-]3)cc2OC)C(C)(C)O1 ZINC001229342128 1375813885 /nfs/dbraw/zinc/81/38/85/1375813885.db2.gz PXPYQRYNBXHUBG-MAUKXSAKSA-N -1 3 344.415 3.156 20 30 EGEDHM C=C[C@]1(C)CC[C@H](Oc2ccc(-c3nn[n-]n3)cc2OC)C(C)(C)O1 ZINC001229342128 1375813899 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EGEDHM Cc1c(C(=O)N([O-])C(=N)c2ccccc2N)cccc1C(F)(F)F ZINC001148744752 1379258751 /nfs/dbraw/zinc/25/87/51/1379258751.db2.gz DJPVRBWXBJXSJR-UHFFFAOYSA-N -1 3 337.301 3.453 20 30 EGEDHM CC(C)CCC[C@@H](C)NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154558936 1380305389 /nfs/dbraw/zinc/30/53/89/1380305389.db2.gz DREVHGXTQREWHD-CYBMUJFWSA-N -1 3 325.412 3.344 20 30 EGEDHM Cc1ccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1C#N ZINC001155909754 1380504715 /nfs/dbraw/zinc/50/47/15/1380504715.db2.gz ZHFPWAUXMOWJLB-UHFFFAOYSA-N -1 3 336.273 3.408 20 30 EGEDHM N#Cc1ccccc1CNC(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001156787175 1380634825 /nfs/dbraw/zinc/63/48/25/1380634825.db2.gz ZXUDHMJJRZPMMB-UHFFFAOYSA-N -1 3 326.759 3.129 20 30 EGEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncnc2scc(-c3cccs3)c21 ZINC001160173077 1382024070 /nfs/dbraw/zinc/02/40/70/1382024070.db2.gz ACURIESIMLVAEB-UFBFGSQYSA-N -1 3 346.437 3.068 20 30 EGEDHM COc1cc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)ccc1Oc1ccccc1 ZINC001171368797 1384504003 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Cn1ncc2cc(C([O-])=C(C#N)c3ccc4ccccc4n3)cnc21 ZINC000673848429 548638166 /nfs/dbraw/zinc/63/81/66/548638166.db2.gz BGJSTUXTDSAZHD-HNNXBMFYSA-N -1 3 327.347 3.007 20 30 EGEDHM CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc([O-])c(C)c2)cs1 ZINC000728231611 574731963 /nfs/dbraw/zinc/73/19/63/574731963.db2.gz MCHGBKUKCHQZEH-SOFGYWHQSA-N -1 3 330.409 3.426 20 30 EGEDHM O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000737798047 574833313 /nfs/dbraw/zinc/83/33/13/574833313.db2.gz SVXHTYZFAXPIAA-MDZDMXLPSA-N -1 3 342.362 3.153 20 30 EGEDHM O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000737798047 574833316 /nfs/dbraw/zinc/83/33/16/574833316.db2.gz SVXHTYZFAXPIAA-MDZDMXLPSA-N -1 3 342.362 3.153 20 30 EGEDHM N#Cc1ccc(OCC(=O)[N-]c2cc(-c3ccccc3F)no2)cc1 ZINC000729270331 574834707 /nfs/dbraw/zinc/83/47/07/574834707.db2.gz NROKSMBMJBDLLP-UHFFFAOYSA-N -1 3 337.310 3.370 20 30 EGEDHM CC(=NNC(=S)NCc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000730559688 575000982 /nfs/dbraw/zinc/00/09/82/575000982.db2.gz 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575658296 /nfs/dbraw/zinc/65/82/96/575658296.db2.gz ZTOWSKKAYVSZRT-UHFFFAOYSA-N -1 3 325.397 3.500 20 30 EGEDHM C=CCCC(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000735409331 575658299 /nfs/dbraw/zinc/65/82/99/575658299.db2.gz ZTOWSKKAYVSZRT-UHFFFAOYSA-N -1 3 325.397 3.500 20 30 EGEDHM C[C@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735502312 575670856 /nfs/dbraw/zinc/67/08/56/575670856.db2.gz DQRAQIDFCHWGCX-XFVCYKSVSA-N -1 3 345.362 3.054 20 30 EGEDHM C[C@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735502312 575670860 /nfs/dbraw/zinc/67/08/60/575670860.db2.gz DQRAQIDFCHWGCX-XFVCYKSVSA-N -1 3 345.362 3.054 20 30 EGEDHM CCCCCCCCOCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736449240 575966641 /nfs/dbraw/zinc/96/66/41/575966641.db2.gz RUVHRPABKDFTLD-UHFFFAOYSA-N -1 3 331.420 3.182 20 30 EGEDHM CCCCCCCCOCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736449240 575966645 /nfs/dbraw/zinc/96/66/45/575966645.db2.gz RUVHRPABKDFTLD-UHFFFAOYSA-N -1 3 331.420 3.182 20 30 EGEDHM COc1ccc(C=C2Cc3ccc(C)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737082625 576107264 /nfs/dbraw/zinc/10/72/64/576107264.db2.gz JTPAVEPOGZPHPY-RIYZIHGNSA-N -1 3 332.363 3.006 20 30 EGEDHM COc1ccc(C=C2Cc3ccc(C)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737082625 576107266 /nfs/dbraw/zinc/10/72/66/576107266.db2.gz JTPAVEPOGZPHPY-RIYZIHGNSA-N -1 3 332.363 3.006 20 30 EGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc3occc3s2)cc1 ZINC000737322869 576205524 /nfs/dbraw/zinc/20/55/24/576205524.db2.gz MTDZZMCQZVDKCO-GFCCVEGCSA-N -1 3 340.360 3.464 20 30 EGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cnc2ccsc2c1 ZINC000739411322 576408636 /nfs/dbraw/zinc/40/86/36/576408636.db2.gz HPHFAMQZUBDEMI-UHFFFAOYSA-N -1 3 345.449 3.140 20 30 EGEDHM O=C1[C@H](/N=C\c2cc(Cl)ccc2[O-])CCN1Cc1ccccc1 ZINC000743538821 576811480 /nfs/dbraw/zinc/81/14/80/576811480.db2.gz OLJRTUMGTKFPNK-IWEBCOIVSA-N -1 3 328.799 3.266 20 30 EGEDHM CCOc1ccccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000821431064 599110425 /nfs/dbraw/zinc/11/04/25/599110425.db2.gz KQRKGPWQSXLNND-QINSGFPZSA-N -1 3 346.390 3.478 20 30 EGEDHM CCOc1ccccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821431064 599110426 /nfs/dbraw/zinc/11/04/26/599110426.db2.gz KQRKGPWQSXLNND-QINSGFPZSA-N -1 3 346.390 3.478 20 30 EGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(F)ccc1F ZINC000823503902 599114591 /nfs/dbraw/zinc/11/45/91/599114591.db2.gz KLDJMRDWBCRUGR-DHZHZOJOSA-N -1 3 338.317 3.357 20 30 EGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(F)ccc1F ZINC000823503902 599114593 /nfs/dbraw/zinc/11/45/93/599114593.db2.gz KLDJMRDWBCRUGR-DHZHZOJOSA-N -1 3 338.317 3.357 20 30 EGEDHM CN(Cc1ccc(C#N)cc1OC(F)F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830810654 601534112 /nfs/dbraw/zinc/53/41/12/601534112.db2.gz CZJJCHGLUUKQEN-MRXNPFEDSA-N -1 3 346.333 3.417 20 30 EGEDHM CCOc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821426734 606305214 /nfs/dbraw/zinc/30/52/14/606305214.db2.gz HWPSNIDHZVNNOC-SREVYHEPSA-N -1 3 326.381 3.223 20 30 EGEDHM CCOc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821426734 606305216 /nfs/dbraw/zinc/30/52/16/606305216.db2.gz HWPSNIDHZVNNOC-SREVYHEPSA-N -1 3 326.381 3.223 20 30 EGEDHM C=CCC(CC=C)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823888663 608480646 /nfs/dbraw/zinc/48/06/46/608480646.db2.gz STQNGXOWRRRDDN-UHFFFAOYSA-N -1 3 349.438 3.251 20 30 EGEDHM C=CCC(CC=C)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823888663 608480648 /nfs/dbraw/zinc/48/06/48/608480648.db2.gz STQNGXOWRRRDDN-UHFFFAOYSA-N -1 3 349.438 3.251 20 30 EGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2c(s1)CCC2 ZINC000826401440 608881384 /nfs/dbraw/zinc/88/13/84/608881384.db2.gz YVVDRSDVIFAYKM-ALCCZGGFSA-N -1 3 340.383 3.452 20 30 EGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2c(s1)CCC2 ZINC000826401440 608881386 /nfs/dbraw/zinc/88/13/86/608881386.db2.gz YVVDRSDVIFAYKM-ALCCZGGFSA-N -1 3 340.383 3.452 20 30 EGEDHM O=C(C=Cc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400709 609274869 /nfs/dbraw/zinc/27/48/69/609274869.db2.gz FYQPSGOMDFHGGI-QHHAFSJGSA-N -1 3 330.269 3.180 20 30 EGEDHM O=C(C=Cc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400709 609274871 /nfs/dbraw/zinc/27/48/71/609274871.db2.gz FYQPSGOMDFHGGI-QHHAFSJGSA-N -1 3 330.269 3.180 20 30 EGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(F)c(F)c1 ZINC000128957201 1293609304 /nfs/dbraw/zinc/60/93/04/1293609304.db2.gz UURZJXSDEOYWBL-GFCCVEGCSA-N -1 3 344.317 3.325 20 30 EGEDHM Cc1cc(S(N)(=O)=O)cc(N=Cc2cc(Cl)ccc2[O-])c1C ZINC000255512278 1296541261 /nfs/dbraw/zinc/54/12/61/1296541261.db2.gz VEZXJYHZAITSDV-UHFFFAOYSA-N -1 3 338.816 3.060 20 30 EGEDHM CCO[C@@H]1CCC[C@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000873600926 1297625431 /nfs/dbraw/zinc/62/54/31/1297625431.db2.gz MGLQTVSKHOMMHO-CABCVRRESA-N -1 3 346.427 3.099 20 30 EGEDHM CCN(C)c1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)cn1 ZINC000588579652 1298086806 /nfs/dbraw/zinc/08/68/06/1298086806.db2.gz KIVDJBFVHAIFLI-VURMDHGXSA-N -1 3 342.395 3.157 20 30 EGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1coc2ccccc12 ZINC000747753421 1298854610 /nfs/dbraw/zinc/85/46/10/1298854610.db2.gz GMSVZIYNZCUMLM-UHFFFAOYSA-N -1 3 328.393 3.276 20 30 EGEDHM N#Cc1ccsc1[N-]C(=O)c1cnn(-c2ccc(Cl)cc2)n1 ZINC000752728420 1299783813 /nfs/dbraw/zinc/78/38/13/1299783813.db2.gz SIMQMJKBIDLDQP-UHFFFAOYSA-N -1 3 329.772 3.106 20 30 EGEDHM Cc1cc(-c2ccccc2)ccc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000878209746 1299827177 /nfs/dbraw/zinc/82/71/77/1299827177.db2.gz IGDTWALEBKWBRX-QGZVFWFLSA-N -1 3 339.395 3.164 20 30 EGEDHM C#Cc1ccccc1C(C)N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1 ZINC000753702016 1300007841 /nfs/dbraw/zinc/00/78/41/1300007841.db2.gz ZNQRJKVGHRUDOL-UHFFFAOYSA-N -1 3 348.410 3.104 20 30 EGEDHM O=C1c2cccc3cccc(c32)C(=O)N1N=Cc1cc(F)ccc1[O-] ZINC000755509855 1300350567 /nfs/dbraw/zinc/35/05/67/1300350567.db2.gz ZYKYRFJQJFFYKF-UHFFFAOYSA-N -1 3 334.306 3.315 20 30 EGEDHM O=C1/C(=C/c2ccc([O-])c(F)c2)COC/C1=C\c1ccc(O)c(F)c1 ZINC000755599519 1300362809 /nfs/dbraw/zinc/36/28/09/1300362809.db2.gz BZBVYTOLORIWMY-ACFHMISVSA-N -1 3 344.313 3.442 20 30 EGEDHM CC(=NNc1ccncc1Cl)c1cc(Br)ccc1[O-] ZINC000756842850 1300574770 /nfs/dbraw/zinc/57/47/70/1300574770.db2.gz YEPCPHHYTYHWGK-UHFFFAOYSA-N -1 3 340.608 3.461 20 30 EGEDHM CC(N=Nc1nnc(-c2ccccc2)n1C)c1cc(F)cc(F)c1[O-] ZINC000757461057 1300671646 /nfs/dbraw/zinc/67/16/46/1300671646.db2.gz JWMHMBXKAWWKPD-UHFFFAOYSA-N -1 3 343.337 3.302 20 30 EGEDHM COc1ccccc1C1(C/N=C/c2c([O-])c(C)ncc2CO)CCC1 ZINC000758816481 1300960200 /nfs/dbraw/zinc/96/02/00/1300960200.db2.gz RXNBUOOZEIXUHE-SRZZPIQSSA-N -1 3 340.423 3.137 20 30 EGEDHM COc1ccc(C=NNc2ccc(C#N)cc2)c(Br)c1[O-] ZINC000761011877 1301381426 /nfs/dbraw/zinc/38/14/26/1301381426.db2.gz KCXSBMZWIXYGBG-UHFFFAOYSA-N -1 3 346.184 3.481 20 30 EGEDHM COc1ccc(C=NOCC(F)(F)F)c(Br)c1[O-] ZINC000761014009 1301382208 /nfs/dbraw/zinc/38/22/08/1301382208.db2.gz WAEJMAIGZYSTDU-UHFFFAOYSA-N -1 3 328.084 3.076 20 30 EGEDHM COc1cc(C(=O)/C=C\c2cccc3c2OCO3)c(OC)cc1[O-] ZINC000763104142 1301823017 /nfs/dbraw/zinc/82/30/17/1301823017.db2.gz AGBKIBRLUXLIRO-SREVYHEPSA-N -1 3 328.320 3.034 20 30 EGEDHM Cc1ncc(CO)c(/C=N/CC2(Cc3ccc(F)cc3)CC2)c1[O-] ZINC000770566976 1303285939 /nfs/dbraw/zinc/28/59/39/1303285939.db2.gz CGVNKKRSWULPOK-UFFVCSGVSA-N -1 3 328.387 3.169 20 30 EGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cnn1C(C)C ZINC000771260316 1303382350 /nfs/dbraw/zinc/38/23/50/1303382350.db2.gz GAMPUIAILFNYFE-LBPRGKRZSA-N -1 3 344.802 3.387 20 30 EGEDHM COc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000887705968 1303901583 /nfs/dbraw/zinc/90/15/83/1303901583.db2.gz GPLOEWIRLDTPDK-UHFFFAOYSA-N -1 3 336.391 3.292 20 30 EGEDHM C#C[C@H](N[C@@H](C)c1cc(Br)cc(F)c1[O-])[C@H]1CCCO1 ZINC000775571342 1303985805 /nfs/dbraw/zinc/98/58/05/1303985805.db2.gz FRQJASLFCPAMHO-QCZZGDTMSA-N -1 3 342.208 3.125 20 30 EGEDHM COc1cc(C(=O)/C=C/c2c(OC)cccc2OC)c(OC)cc1[O-] ZINC000776189098 1304108857 /nfs/dbraw/zinc/10/88/57/1304108857.db2.gz AQQHMALRZXSDOB-CMDGGOBGSA-N -1 3 344.363 3.323 20 30 EGEDHM Cc1cc(=O)[n-]c(N=NC2C[C@@H](OCc3ccccc3)C2(C)C)n1 ZINC000776757189 1304194452 /nfs/dbraw/zinc/19/44/52/1304194452.db2.gz JEULWJQELJFVIZ-OAHLLOKOSA-N -1 3 326.400 3.274 20 30 EGEDHM CCOc1cc(C=NOCCSC)cc(Br)c1[O-] ZINC000794577299 1309550442 /nfs/dbraw/zinc/55/04/42/1309550442.db2.gz ULLTUESWOOUFPA-UHFFFAOYSA-N -1 3 334.235 3.267 20 30 EGEDHM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1cccc2nn[n-]c21 ZINC000800207686 1310702509 /nfs/dbraw/zinc/70/25/09/1310702509.db2.gz CFPFCQPCCUYHDG-UHFFFAOYSA-N -1 3 345.280 3.185 20 30 EGEDHM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1cccc2[n-]nnc21 ZINC000800207686 1310702515 /nfs/dbraw/zinc/70/25/15/1310702515.db2.gz CFPFCQPCCUYHDG-UHFFFAOYSA-N -1 3 345.280 3.185 20 30 EGEDHM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1cccc2n[n-]nc21 ZINC000800207686 1310702524 /nfs/dbraw/zinc/70/25/24/1310702524.db2.gz CFPFCQPCCUYHDG-UHFFFAOYSA-N -1 3 345.280 3.185 20 30 EGEDHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000826013722 1320378313 /nfs/dbraw/zinc/37/83/13/1320378313.db2.gz QOCRZXWWBFRPJP-SJCJKPOMSA-N -1 3 349.381 3.325 20 30 EGEDHM O=C([C@H]1CCc2c[nH]nc2C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900095794 1317234552 /nfs/dbraw/zinc/23/45/52/1317234552.db2.gz JTGLKFFYRRIJNK-JTQLQIEISA-N -1 3 340.210 3.239 20 30 EGEDHM O=C([C@@H]1CCc2ncncc2C1)N([O-])Cc1cccc2ccccc21 ZINC000901370800 1317410693 /nfs/dbraw/zinc/41/06/93/1317410693.db2.gz GUPCPIMIUBFLEC-OAHLLOKOSA-N -1 3 333.391 3.153 20 30 EGEDHM Cc1nn2cccnc2c1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370010 1317411097 /nfs/dbraw/zinc/41/10/97/1317411097.db2.gz OLBODBDEJDVZSV-UHFFFAOYSA-N -1 3 332.363 3.223 20 30 EGEDHM O=C(Nc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1)NC1CC1 ZINC000901374549 1317412335 /nfs/dbraw/zinc/41/23/35/1317412335.db2.gz MBSVYUHOXGRGGM-UHFFFAOYSA-N -1 3 343.358 3.141 20 30 EGEDHM CC#CC[C@@H](NCc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000904058182 1317780468 /nfs/dbraw/zinc/78/04/68/1317780468.db2.gz JDKIRANUPMXBON-GFCCVEGCSA-N -1 3 330.609 3.059 20 30 EGEDHM CC#CC[C@@H](NCc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000904058082 1317780556 /nfs/dbraw/zinc/78/05/56/1317780556.db2.gz HQQXGKZGEQFZGX-GFCCVEGCSA-N -1 3 330.609 3.059 20 30 EGEDHM O=C(CCCCc1c[nH]nn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180202 1317806092 /nfs/dbraw/zinc/80/60/92/1317806092.db2.gz IYQWJULPVVCDAM-UHFFFAOYSA-N -1 3 343.214 3.242 20 30 EGEDHM O=C(CCCc1nc(C2CC2)no1)N([O-])Cc1ccccc1Cl ZINC000904188538 1317807651 /nfs/dbraw/zinc/80/76/51/1317807651.db2.gz DLERSFNZUUGBDN-UHFFFAOYSA-N -1 3 335.791 3.341 20 30 EGEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc(C#N)n2)cc1 ZINC000810532366 1318019565 /nfs/dbraw/zinc/01/95/65/1318019565.db2.gz CZPDDJLTHFBGAN-SUMWQHHRSA-N -1 3 346.390 3.428 20 30 EGEDHM Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811185100 1318118152 /nfs/dbraw/zinc/11/81/52/1318118152.db2.gz YQLGBVJROWKIQT-CYBMUJFWSA-N -1 3 338.363 3.065 20 30 EGEDHM COC(=O)c1cccc(Cl)c1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187841 1318120147 /nfs/dbraw/zinc/12/01/47/1318120147.db2.gz ZYCKOTZWNDVHAW-UHFFFAOYSA-N -1 3 345.738 3.061 20 30 EGEDHM CCOc1ccc(NN=Cc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000814983301 1318862974 /nfs/dbraw/zinc/86/29/74/1318862974.db2.gz HQIXWRDGLVLALF-UHFFFAOYSA-N -1 3 331.328 3.154 20 30 EGEDHM [O-]c1ccc(Br)cc1/C=N/CCOCC(F)(F)F ZINC000912782449 1318930848 /nfs/dbraw/zinc/93/08/48/1318930848.db2.gz UAQLFTFBZRDROI-OMCISZLKSA-N -1 3 326.112 3.153 20 30 EGEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)c(C)o1 ZINC000815908617 1319072648 /nfs/dbraw/zinc/07/26/48/1319072648.db2.gz GASQQYJCKKZIMV-HNNXBMFYSA-N -1 3 333.347 3.406 20 30 EGEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc2sc3ccccc3c2s1 ZINC000816759778 1319216881 /nfs/dbraw/zinc/21/68/81/1319216881.db2.gz UUUMTSGCAYGHOZ-JTQLQIEISA-N -1 3 346.433 3.226 20 30 EGEDHM CCc1ccc2c(c1)C(=N[N-]c1ncccc1C(F)(F)F)C(=O)N2 ZINC000915050431 1319415059 /nfs/dbraw/zinc/41/50/59/1319415059.db2.gz PKXWDOBIFHHHSD-UHFFFAOYSA-N -1 3 334.301 3.431 20 30 EGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cnc(N2CCCC2)nc1 ZINC000915987537 1319579602 /nfs/dbraw/zinc/57/96/02/1319579602.db2.gz 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OEVUJOFJKAKDCQ-GFCCVEGCSA-N -1 3 345.873 3.160 20 30 EGEDHM CCCOc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(OC)c1 ZINC000453584445 458536345 /nfs/dbraw/zinc/53/63/45/458536345.db2.gz QPLUBQGZWBELLC-INIZCTEOSA-N -1 3 339.395 3.381 20 30 EGEDHM Cc1nc(C(C)C)ccc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000453630297 458538744 /nfs/dbraw/zinc/53/87/44/458538744.db2.gz YUCBRGPHYOIEOJ-HNNXBMFYSA-N -1 3 337.427 3.321 20 30 EGEDHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1C#N ZINC000470612080 458640691 /nfs/dbraw/zinc/64/06/91/458640691.db2.gz JZNRWDNOZDLXPO-GXFFZTMASA-N -1 3 338.816 3.365 20 30 EGEDHM C=CCn1c(SCC(=O)c2ccc(CCCC)cc2)n[n-]c1=O ZINC000470817237 458654087 /nfs/dbraw/zinc/65/40/87/458654087.db2.gz ORFBGBHQVJFAQA-UHFFFAOYSA-N -1 3 331.441 3.487 20 30 EGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000432288100 458710026 /nfs/dbraw/zinc/71/00/26/458710026.db2.gz YUZPUDXPACVODT-UHFFFAOYSA-N -1 3 345.848 3.007 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccnc(N3CCC[C@@H](C)C3)c2)nc(C)n1 ZINC000517004089 458825617 /nfs/dbraw/zinc/82/56/17/458825617.db2.gz JOFOFCPORRKAPX-DYVFJYSZSA-N -1 3 349.438 3.215 20 30 EGEDHM N#CCC1CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000548376013 458871569 /nfs/dbraw/zinc/87/15/69/458871569.db2.gz PUGJIMBKYWENDS-UHFFFAOYSA-N -1 3 348.402 3.389 20 30 EGEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000519805505 459008631 /nfs/dbraw/zinc/00/86/31/459008631.db2.gz HEFIOSMFGRIREA-NEPJUHHUSA-N -1 3 343.857 3.177 20 30 EGEDHM C=C(C)COc1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000567121910 459051386 /nfs/dbraw/zinc/05/13/86/459051386.db2.gz VAPLYTZVJKUYIA-UHFFFAOYSA-N -1 3 325.368 3.267 20 30 EGEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000594694324 459132484 /nfs/dbraw/zinc/13/24/84/459132484.db2.gz JEOBWNNQXABOHE-MRXNPFEDSA-N -1 3 340.420 3.034 20 30 EGEDHM N#CC(=C([O-])c1cnc2n1CCCC2)c1nc(-c2ccncc2)cs1 ZINC000579676859 459250705 /nfs/dbraw/zinc/25/07/05/459250705.db2.gz DFWCTBIFSCQLPQ-CYBMUJFWSA-N -1 3 349.419 3.228 20 30 EGEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(CC)c1[O-] ZINC000561211445 459432068 /nfs/dbraw/zinc/43/20/68/459432068.db2.gz YVTJWTRHPBDXIL-UHFFFAOYSA-N -1 3 329.396 3.258 20 30 EGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000541386851 459450743 /nfs/dbraw/zinc/45/07/43/459450743.db2.gz LYFJWNKSVZVLNO-MRVPVSSYSA-N -1 3 338.654 3.345 20 30 EGEDHM C=CC(C)(C)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000570795941 459560649 /nfs/dbraw/zinc/56/06/49/459560649.db2.gz XMDZTGAXXOLQMM-UHFFFAOYSA-N -1 3 349.228 3.233 20 30 EGEDHM C#CCn1ccc(CN(CC)Cc2ccc([O-])c3nc(C)ccc23)n1 ZINC000491701081 459656867 /nfs/dbraw/zinc/65/68/67/459656867.db2.gz GYCAYNRNTMEHRO-UHFFFAOYSA-N -1 3 334.423 3.101 20 30 EGEDHM C#C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000491803830 459676333 /nfs/dbraw/zinc/67/63/33/459676333.db2.gz JNELWWUXJSCGHI-OAHLLOKOSA-N -1 3 336.778 3.286 20 30 EGEDHM COC(=O)c1cccc2nc(NC(=O)CC3(C#N)CCCCC3)[n-]c21 ZINC000597418333 459947004 /nfs/dbraw/zinc/94/70/04/459947004.db2.gz MTKCTZRYFVQQES-UHFFFAOYSA-N -1 3 340.383 3.152 20 30 EGEDHM COC(=O)c1cccc2[n-]c(NC(=O)CC3(C#N)CCCCC3)nc21 ZINC000597418333 459947007 /nfs/dbraw/zinc/94/70/07/459947007.db2.gz MTKCTZRYFVQQES-UHFFFAOYSA-N -1 3 340.383 3.152 20 30 EGEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1noc2c1COCC2 ZINC000598933353 460094893 /nfs/dbraw/zinc/09/48/93/460094893.db2.gz VUXOLWVIPQGZFN-LLVKDONJSA-N -1 3 343.408 3.251 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(C#N)c1 ZINC000610338568 460124529 /nfs/dbraw/zinc/12/45/29/460124529.db2.gz HMHKFZGAMZSMBU-VIFPVBQESA-N -1 3 340.326 3.015 20 30 EGEDHM C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000330107390 547512849 /nfs/dbraw/zinc/51/28/49/547512849.db2.gz MBAVFQGCHWLLRH-MNRXQERYSA-N -1 3 331.372 3.189 20 30 EGEDHM N#CC(=C([O-])c1cnc2nccnc2c1)c1ccc2ccccc2n1 ZINC000680617220 549885768 /nfs/dbraw/zinc/88/57/68/549885768.db2.gz ISGYXQAYAOTICR-CQSZACIVSA-N -1 3 325.331 3.063 20 30 EGEDHM COc1cccc([O-])c1/C=N/CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000727265048 574656196 /nfs/dbraw/zinc/65/61/96/574656196.db2.gz GJCIWBMZKHOFJV-XDHOZWIPSA-N -1 3 334.416 3.219 20 30 EGEDHM Cc1ncc(CO)c(C=Nc2cc(C(F)(F)F)ccc2F)c1[O-] ZINC000727973239 574708003 /nfs/dbraw/zinc/70/80/03/574708003.db2.gz VVAGEJNSBJYKDL-UHFFFAOYSA-N -1 3 328.265 3.496 20 30 EGEDHM C#Cc1cccc(NC(=S)NN=C(C)c2ccc([O-])c(F)c2)c1 ZINC000728429254 574749005 /nfs/dbraw/zinc/74/90/05/574749005.db2.gz BUKDXNNUPWFKJB-UHFFFAOYSA-N -1 3 327.384 3.223 20 30 EGEDHM C=C(C)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000729069587 574810559 /nfs/dbraw/zinc/81/05/59/574810559.db2.gz SHEGESSQDFFBOL-UHFFFAOYSA-N -1 3 349.383 3.359 20 30 EGEDHM CCOc1ccc(/C=N\CCOc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000731563767 575080800 /nfs/dbraw/zinc/08/08/00/575080800.db2.gz UPWQOYYXWIFIKW-PDGQHHTCSA-N -1 3 330.340 3.197 20 30 EGEDHM CCc1cc(N2CCC[C@@H](/N=C\c3cc(Cl)ccc3[O-])C2)ncn1 ZINC000732912641 575295972 /nfs/dbraw/zinc/29/59/72/575295972.db2.gz KNGSQXGICSUSLI-HSGPEQJXSA-N -1 3 344.846 3.486 20 30 EGEDHM C=CC[C@H](C)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000735409912 575653388 /nfs/dbraw/zinc/65/33/88/575653388.db2.gz OMEUVQFMUJGHDG-LBPRGKRZSA-N -1 3 333.399 3.353 20 30 EGEDHM C=CC[C@H](C)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000735409912 575653392 /nfs/dbraw/zinc/65/33/92/575653392.db2.gz OMEUVQFMUJGHDG-LBPRGKRZSA-N -1 3 333.399 3.353 20 30 EGEDHM C=CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000735416218 575664116 /nfs/dbraw/zinc/66/41/16/575664116.db2.gz FIXVFHKNHNYQRO-UHFFFAOYSA-N -1 3 336.852 3.113 20 30 EGEDHM C=CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000735416218 575664118 /nfs/dbraw/zinc/66/41/18/575664118.db2.gz FIXVFHKNHNYQRO-UHFFFAOYSA-N -1 3 336.852 3.113 20 30 EGEDHM C[C@@H](CC#N)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735976011 575746476 /nfs/dbraw/zinc/74/64/76/575746476.db2.gz SBHXOUMPQFVYDA-LBPRGKRZSA-N -1 3 349.350 3.118 20 30 EGEDHM C[C@@H](CC#N)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735976011 575746480 /nfs/dbraw/zinc/74/64/80/575746480.db2.gz SBHXOUMPQFVYDA-LBPRGKRZSA-N -1 3 349.350 3.118 20 30 EGEDHM C#CCN1CCC(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])CC1 ZINC000736080754 575894190 /nfs/dbraw/zinc/89/41/90/575894190.db2.gz XMQQRHNUGGCXQD-UHFFFAOYSA-N -1 3 348.468 3.028 20 30 EGEDHM COc1ccc(C=CC(=O)c2ccc(C)s2)cc1-c1nnn[n-]1 ZINC000737080835 576106610 /nfs/dbraw/zinc/10/66/10/576106610.db2.gz HRWQHRWVQVIXKO-XQRVVYSFSA-N -1 3 326.381 3.141 20 30 EGEDHM COc1ccc(C=CC(=O)c2ccc(C)s2)cc1-c1nn[n-]n1 ZINC000737080835 576106612 /nfs/dbraw/zinc/10/66/12/576106612.db2.gz HRWQHRWVQVIXKO-XQRVVYSFSA-N -1 3 326.381 3.141 20 30 EGEDHM COc1ccc(C=C2C(=O)c3ccccc3C2(C)C)cc1-c1nnn[n-]1 ZINC000737083864 576107955 /nfs/dbraw/zinc/10/79/55/576107955.db2.gz PVYTYLHRLOPWDH-WJDWOHSUSA-N -1 3 346.390 3.433 20 30 EGEDHM COc1ccc(C=C2C(=O)c3ccccc3C2(C)C)cc1-c1nn[n-]n1 ZINC000737083864 576107959 /nfs/dbraw/zinc/10/79/59/576107959.db2.gz PVYTYLHRLOPWDH-WJDWOHSUSA-N -1 3 346.390 3.433 20 30 EGEDHM COc1cccc([O-])c1C=Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000737443133 576230459 /nfs/dbraw/zinc/23/04/59/576230459.db2.gz HHTWNLLOAVICJB-CQSZACIVSA-N -1 3 326.396 3.377 20 30 EGEDHM O=C1C(=N[N-]c2ncccc2C(F)(F)F)CCN1Cc1ccccc1 ZINC000743435618 576809141 /nfs/dbraw/zinc/80/91/41/576809141.db2.gz LFZZGJNKQKBFMZ-UHFFFAOYSA-N -1 3 348.328 3.301 20 30 EGEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(Cl)cc1 ZINC000743448888 576809415 /nfs/dbraw/zinc/80/94/15/576809415.db2.gz FQAMOYPRTBRLHL-UHFFFAOYSA-N -1 3 336.844 3.226 20 30 EGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(F)ccc1F ZINC000823503903 599114450 /nfs/dbraw/zinc/11/44/50/599114450.db2.gz KLDJMRDWBCRUGR-FLIBITNWSA-N -1 3 338.317 3.357 20 30 EGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(F)ccc1F ZINC000823503903 599114453 /nfs/dbraw/zinc/11/44/53/599114453.db2.gz KLDJMRDWBCRUGR-FLIBITNWSA-N -1 3 338.317 3.357 20 30 EGEDHM COc1ccc(C=NNc2c(C)cc(C)cc2C)cc1-c1nnn[n-]1 ZINC000821786926 599340275 /nfs/dbraw/zinc/34/02/75/599340275.db2.gz LOPCMPLOMLOMKF-UHFFFAOYSA-N -1 3 336.399 3.247 20 30 EGEDHM COc1ccc(C=NNc2c(C)cc(C)cc2C)cc1-c1nn[n-]n1 ZINC000821786926 599340278 /nfs/dbraw/zinc/34/02/78/599340278.db2.gz LOPCMPLOMLOMKF-UHFFFAOYSA-N -1 3 336.399 3.247 20 30 EGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccncc1Cl ZINC000819745684 599566256 /nfs/dbraw/zinc/56/62/56/599566256.db2.gz PFSMMJHPSDUZTK-UHFFFAOYSA-N -1 3 340.818 3.103 20 30 EGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccncc1Cl ZINC000819745684 599566258 /nfs/dbraw/zinc/56/62/58/599566258.db2.gz PFSMMJHPSDUZTK-UHFFFAOYSA-N -1 3 340.818 3.103 20 30 EGEDHM CC(C)c1csc(C(C#N)C(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000827140103 601194441 /nfs/dbraw/zinc/19/44/41/601194441.db2.gz YMZGAPBQOLZNPG-CYBMUJFWSA-N -1 3 344.392 3.220 20 30 EGEDHM Cc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000832920799 601369006 /nfs/dbraw/zinc/36/90/06/601369006.db2.gz HQDCJHVTLKDTIA-SJKOYZFVSA-N -1 3 339.351 3.251 20 30 EGEDHM Cc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000832921620 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C[C@@H]1C[C@@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824865389 609584605 /nfs/dbraw/zinc/58/46/05/609584605.db2.gz IFQQDGVWFXPBGG-DGCLKSJQSA-N -1 3 338.415 3.139 20 30 EGEDHM C[C@@H]1C[C@@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824865389 609584607 /nfs/dbraw/zinc/58/46/07/609584607.db2.gz IFQQDGVWFXPBGG-DGCLKSJQSA-N -1 3 338.415 3.139 20 30 EGEDHM Cc1ccc([C@@H](C/N=C/c2cc(Cl)ccc2[O-])N2CCOCC2)o1 ZINC000017701065 1291183112 /nfs/dbraw/zinc/18/31/12/1291183112.db2.gz POCYONHGCSSXHC-MBTVCVBTSA-N -1 3 348.830 3.439 20 30 EGEDHM C=CCOc1ccc(/C=C2\c3ccccc3C(=O)[N-]C2=O)cc1OC ZINC000030058196 1291345872 /nfs/dbraw/zinc/34/58/72/1291345872.db2.gz WKERCVGEHVYZFL-LFIBNONCSA-N -1 3 335.359 3.071 20 30 EGEDHM CC(=NN[C@@H](C)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000834995406 1293183951 /nfs/dbraw/zinc/18/39/51/1293183951.db2.gz DPWWNRPIKCDBDZ-ZETCQYMHSA-N -1 3 325.128 3.419 20 30 EGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000130441937 1293656443 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C=C(C)C(C)(C)C(=O)N1CCCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000943106849 1332104044 /nfs/dbraw/zinc/10/40/44/1332104044.db2.gz VKNNYHWEQKIZEM-HNNXBMFYSA-N -1 3 344.455 3.105 20 30 EGEDHM C[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])CCN1CC#Cc1ccccc1 ZINC000947071377 1333002450 /nfs/dbraw/zinc/00/24/50/1333002450.db2.gz UGKIAZZHNDMHDD-MJGOQNOKSA-N -1 3 348.446 3.027 20 30 EGEDHM C[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])CN1Cc1ccc(C#N)cc1 ZINC001071355908 1354624352 /nfs/dbraw/zinc/62/43/52/1354624352.db2.gz CVRTYSXTUQAKRA-MAUKXSAKSA-N -1 3 349.434 3.047 20 30 EGEDHM C=CCC1(S(=O)(=O)[N-]c2cccnc2C#C[Si](C)(C)C)CC1 ZINC001190773116 1367346274 /nfs/dbraw/zinc/34/62/74/1367346274.db2.gz STGXRYMNBKYLEK-UHFFFAOYSA-N -1 3 334.517 3.161 20 30 EGEDHM N#Cc1cc(NC(=O)[C@H]2CC(=O)c3cc(Cl)ccc32)ccc1[O-] ZINC001186253348 1387907849 /nfs/dbraw/zinc/90/78/49/1387907849.db2.gz ZCFGPAJUCZCHOU-AWEZNQCLSA-N -1 3 326.739 3.226 20 30 EGEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccsc2C)c(C)c1[O-] ZINC001193378890 1368016040 /nfs/dbraw/zinc/01/60/40/1368016040.db2.gz IWJRSKXKNXJBMZ-UHFFFAOYSA-N -1 3 344.392 3.371 20 30 EGEDHM CCOC(=O)c1cc(C#N)c(NC(=O)OCCC(C)C)c(C)c1[O-] ZINC001194875038 1368338877 /nfs/dbraw/zinc/33/88/77/1368338877.db2.gz RPOLMPUBCUOSLT-UHFFFAOYSA-N -1 3 334.372 3.344 20 30 EGEDHM N#Cc1c(F)ccc([N-]C(=O)c2ncnc(Cl)c2Cl)c1F ZINC001195026702 1368364027 /nfs/dbraw/zinc/36/40/27/1368364027.db2.gz ULLCEIXJJDUABR-UHFFFAOYSA-N -1 3 329.093 3.186 20 30 EGEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C#N)c2)c(C)c1 ZINC001196880685 1368705823 /nfs/dbraw/zinc/70/58/23/1368705823.db2.gz PNQUFQCYXWSJHI-UHFFFAOYSA-N -1 3 330.409 3.293 20 30 EGEDHM Cn1cc2c(n1)CCC[C@H]2C(=O)N([O-])Cc1cccc2ccccc21 ZINC001119556632 1371366073 /nfs/dbraw/zinc/36/60/73/1371366073.db2.gz SPWMARBFZAVHGY-QGZVFWFLSA-N -1 3 335.407 3.411 20 30 EGEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2C)c1[O-] ZINC001121535003 1372003289 /nfs/dbraw/zinc/00/32/89/1372003289.db2.gz IXLVZXPOSQBEBT-UHFFFAOYSA-N -1 3 337.427 3.046 20 30 EGEDHM CCCCCCCCS(=O)(=O)[N-]c1ccc(F)cc1OCCO ZINC001188018104 1388216909 /nfs/dbraw/zinc/21/69/09/1388216909.db2.gz UAWHVYUUMPOZQQ-UHFFFAOYSA-N -1 3 347.452 3.299 20 30 EGEDHM CCCCCCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccccc1 ZINC001188028667 1388220862 /nfs/dbraw/zinc/22/08/62/1388220862.db2.gz GUYVGAUNTZPHOH-INIZCTEOSA-N -1 3 341.473 3.181 20 30 EGEDHM C=C[C@@H](Oc1[n-]c(=S)ncc1CC(=O)OCC)c1ccccc1 ZINC001228715934 1375649732 /nfs/dbraw/zinc/64/97/32/1375649732.db2.gz KRKKAGJVOOEIAO-CQSZACIVSA-N -1 3 330.409 3.177 20 30 EGEDHM C=C[C@H](C)Oc1c(C)cc2c(c1OC)C(=O)c1c([O-])cccc1C2=O ZINC001234127258 1376772143 /nfs/dbraw/zinc/77/21/43/1376772143.db2.gz PNFMFNUTNGPTDU-NSHDSACASA-N -1 3 338.359 3.438 20 30 EGEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc2ccccc2nc1Cl ZINC001152411170 1379929630 /nfs/dbraw/zinc/92/96/30/1379929630.db2.gz QLIPHYJQTCBEKB-UHFFFAOYSA-N -1 3 340.770 3.327 20 30 EGEDHM N#Cc1cc(NC(=O)c2cnc3cc(C(F)(F)F)ccn32)ccc1[O-] ZINC001156587499 1380597181 /nfs/dbraw/zinc/59/71/81/1380597181.db2.gz 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ZINC001175430203 1385286139 /nfs/dbraw/zinc/28/61/39/1385286139.db2.gz KLPAIQSYWDRYIP-UHFFFAOYSA-N -1 3 331.383 3.082 20 30 EGEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccccc1F ZINC001317756501 1385446389 /nfs/dbraw/zinc/44/63/89/1385446389.db2.gz MMPIJFLEIJZZRD-UHFFFAOYSA-N -1 3 343.383 3.180 20 30 EGEDHM CN1CCN(c2ccc(/C=C/C(=O)c3ccc([O-])cc3)cc2F)CC1 ZINC001317891518 1385565217 /nfs/dbraw/zinc/56/52/17/1385565217.db2.gz YAOLGSBAOGNDNM-YCRREMRBSA-N -1 3 340.398 3.179 20 30 EGEDHM C#CC1CCN(c2nnc(-c3cccc(CC(=C)C)c3[O-])n2C)CC1 ZINC001340035102 1390212606 /nfs/dbraw/zinc/21/26/06/1390212606.db2.gz BXBDGOKVANBHHS-UHFFFAOYSA-N -1 3 336.439 3.156 20 30 EGEDHM CC(C)c1c(C([O-])=C(C#N)c2nccn2C)cnn1-c1ccccc1 ZINC001342924046 1390673110 /nfs/dbraw/zinc/67/31/10/1390673110.db2.gz JDIHBFWMRYZCHE-HNNXBMFYSA-N -1 3 333.395 3.219 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(OC(F)F)cc2F)nc(C)n1 ZINC001343575716 1390723731 /nfs/dbraw/zinc/72/37/31/1390723731.db2.gz IWGQMOBMYFNDMF-GFCCVEGCSA-N -1 3 335.285 3.324 20 30 EGEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC(C(C)C)CC1 ZINC001343733473 1390733774 /nfs/dbraw/zinc/73/37/74/1390733774.db2.gz PADAOHDEBFZRJB-UHFFFAOYSA-N -1 3 331.420 3.087 20 30 EGEDHM CCc1c(C([O-])=C(C#N)c2nccn2CC)cnn1Cc1ccccc1 ZINC001344322428 1390782133 /nfs/dbraw/zinc/78/21/33/1390782133.db2.gz ONFDJXBHTDLTRX-MRXNPFEDSA-N -1 3 347.422 3.200 20 30 EGEDHM CC(C)n1cc(C([O-])=C(C#N)c2nc3c(cccc3Cl)[nH]2)cn1 ZINC001345673446 1390874672 /nfs/dbraw/zinc/87/46/72/1390874672.db2.gz QDKHGUOOFDXUBM-LLVKDONJSA-N -1 3 327.775 3.484 20 30 EGEDHM C=CCCC[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000823894055 946500818 /nfs/dbraw/zinc/50/08/18/946500818.db2.gz GGSOALBXJHAOTK-GFCCVEGCSA-N -1 3 344.419 3.132 20 30 EGEDHM C=CCCC[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000823894055 946500829 /nfs/dbraw/zinc/50/08/29/946500829.db2.gz GGSOALBXJHAOTK-GFCCVEGCSA-N -1 3 344.419 3.132 20 30 EGEDHM C=CCC1(C(=O)NCc2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC001573325516 947359741 /nfs/dbraw/zinc/35/97/41/947359741.db2.gz DADBTJFNEUZJRY-UHFFFAOYSA-N -1 3 331.445 3.071 20 30 EGEDHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(Cl)c(C#N)c1 ZINC000826170982 947535258 /nfs/dbraw/zinc/53/52/58/947535258.db2.gz XPQVRZKMDSTAKZ-UHFFFAOYSA-N -1 3 340.774 3.012 20 30 EGEDHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(Cl)c(C#N)c1 ZINC000826170982 947535264 /nfs/dbraw/zinc/53/52/64/947535264.db2.gz XPQVRZKMDSTAKZ-UHFFFAOYSA-N -1 3 340.774 3.012 20 30 EGEDHM C=CCc1cc(CNCc2ccc(C(=O)[O-])s2)cc(OC)c1OC ZINC000903678162 969583677 /nfs/dbraw/zinc/58/36/77/969583677.db2.gz JCNSZMZSZGFXNS-UHFFFAOYSA-N -1 3 347.436 3.482 20 30 EGEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC000901526517 980353194 /nfs/dbraw/zinc/35/31/94/980353194.db2.gz BSWUNNFGJVNFKM-IBGZPJMESA-N -1 3 339.391 3.102 20 30 EGEDHM CC1(C)CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC2(CCCC2)O1 ZINC001593940548 996950277 /nfs/dbraw/zinc/95/02/77/996950277.db2.gz NRKSMWLZVDGRET-INIZCTEOSA-N -1 3 328.412 3.108 20 30 EGEDHM COc1cc(CNCc2ccnc3c(C(=O)[O-])cccc23)ccc1C#N ZINC001599415711 997505254 /nfs/dbraw/zinc/50/52/54/997505254.db2.gz ZOYKTUHOKRPQDQ-UHFFFAOYSA-N -1 3 347.374 3.103 20 30 EGEDHM N#Cc1cccc(CN[C@H](Cc2cc3ccccc3o2)C(=O)[O-])c1F ZINC001601123005 1126222003 /nfs/dbraw/zinc/22/20/03/1126222003.db2.gz LHSHLVGNKDQMIB-MRXNPFEDSA-N -1 3 338.338 3.229 20 30 EGEDHM CCc1ccc(C(=O)N(CCOC)Cc2ccc(C#N)cc2)c([O-])c1 ZINC000189320527 529594398 /nfs/dbraw/zinc/59/43/98/529594398.db2.gz HTSPVNRYDFCJJS-UHFFFAOYSA-N -1 3 338.407 3.115 20 30 EGEDHM Cc1coc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc12 ZINC000187329496 236180243 /nfs/dbraw/zinc/18/02/43/236180243.db2.gz ASCHYIPICOHQCA-UHFFFAOYSA-N -1 3 349.390 3.489 20 30 EGEDHM CC(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3N2C(C)=O)c1[O-] ZINC000328596638 258042336 /nfs/dbraw/zinc/04/23/36/258042336.db2.gz KISBIVQJRJUZHE-KRWDZBQOSA-N -1 3 338.363 3.161 20 30 EGEDHM Cc1ccc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)s1 ZINC000160805747 140965102 /nfs/dbraw/zinc/96/51/02/140965102.db2.gz BIAYUYWCLSIEBU-UHFFFAOYSA-N -1 3 326.830 3.060 20 30 EGEDHM CCc1nc(C(=O)[N-]c2scc(C)c2C#N)nn1-c1ccccc1 ZINC000344887401 144237076 /nfs/dbraw/zinc/23/70/76/144237076.db2.gz FNGSYORMJJMVLG-UHFFFAOYSA-N -1 3 337.408 3.324 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cccc(F)c1F ZINC000119032016 152168616 /nfs/dbraw/zinc/16/86/16/152168616.db2.gz DPBBUNARUVJJIU-VIFPVBQESA-N -1 3 340.326 3.015 20 30 EGEDHM CC[C@@H](C)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](C)CC ZINC000180520591 286763512 /nfs/dbraw/zinc/76/35/12/286763512.db2.gz KVZMQROFRGXWIZ-BETUJISGSA-N -1 3 331.460 3.222 20 30 EGEDHM Cc1c(C#N)cccc1C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000338389815 163221443 /nfs/dbraw/zinc/22/14/43/163221443.db2.gz SQMWYCYEWBUWIE-UHFFFAOYSA-N -1 3 339.305 3.182 20 30 EGEDHM Cc1c(C#N)cccc1C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000338389815 163221447 /nfs/dbraw/zinc/22/14/47/163221447.db2.gz SQMWYCYEWBUWIE-UHFFFAOYSA-N -1 3 339.305 3.182 20 30 EGEDHM Cc1c(C#N)cccc1C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000338389815 163221450 /nfs/dbraw/zinc/22/14/50/163221450.db2.gz SQMWYCYEWBUWIE-UHFFFAOYSA-N -1 3 339.305 3.182 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000344498508 164184248 /nfs/dbraw/zinc/18/42/48/164184248.db2.gz AOEFTPRIBZKHAM-LBPRGKRZSA-N -1 3 329.444 3.103 20 30 EGEDHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)cc1F ZINC000355790406 166310468 /nfs/dbraw/zinc/31/04/68/166310468.db2.gz WSQJHSXTYMLOGR-LLVKDONJSA-N -1 3 336.363 3.184 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@@H](C)c1ccccc1 ZINC000531333916 269844679 /nfs/dbraw/zinc/84/46/79/269844679.db2.gz YAYPAJYGMKOBHA-CHWSQXEVSA-N -1 3 332.400 3.168 20 30 EGEDHM Cc1ccc(-c2nnc(NC(=O)C(C)(C)Cc3ccc(C#N)cc3)[n-]2)o1 ZINC000412200219 270046917 /nfs/dbraw/zinc/04/69/17/270046917.db2.gz XAFBXVAOTDMLRB-UHFFFAOYSA-N -1 3 349.394 3.452 20 30 EGEDHM Cc1ccc(-c2n[n-]c(NC(=O)C(C)(C)Cc3ccc(C#N)cc3)n2)o1 ZINC000412200219 270046918 /nfs/dbraw/zinc/04/69/18/270046918.db2.gz 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CC(N=Nc1nnc(-c2ccccc2)n1C)c1ccc([O-])c(F)c1 ZINC000728430157 574748935 /nfs/dbraw/zinc/74/89/35/574748935.db2.gz ZYVKJBGFUKRSGI-UHFFFAOYSA-N -1 3 325.347 3.163 20 30 EGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C(Cc1ccccc1)C1CC1 ZINC000729142603 574818066 /nfs/dbraw/zinc/81/80/66/574818066.db2.gz WFVPLLUFFJPKDO-UHFFFAOYSA-N -1 3 328.437 3.115 20 30 EGEDHM [O-]c1ccc(CN=Nc2nccnc2Cl)cc1Br ZINC000733080107 575306155 /nfs/dbraw/zinc/30/61/55/575306155.db2.gz DVYBAWIQGNPOQG-UHFFFAOYSA-N -1 3 327.569 3.044 20 30 EGEDHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)C1CCCCC1 ZINC000735975762 575745780 /nfs/dbraw/zinc/74/57/80/575745780.db2.gz OFSPIYORRIRFCX-GFCCVEGCSA-N -1 3 338.415 3.283 20 30 EGEDHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)C1CCCCC1 ZINC000735975762 575745784 /nfs/dbraw/zinc/74/57/84/575745784.db2.gz OFSPIYORRIRFCX-GFCCVEGCSA-N -1 3 338.415 3.283 20 30 EGEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000736342446 575940184 /nfs/dbraw/zinc/94/01/84/575940184.db2.gz SAZOYQUCHHPHMZ-UHFFFAOYSA-N 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CC(C)c1csc(C(C#N)C(=O)Nc2ccccc2C(=O)[O-])n1 ZINC000833511370 604625568 /nfs/dbraw/zinc/62/55/68/604625568.db2.gz NZJOUXRLHIFSSS-NSHDSACASA-N -1 3 329.381 3.211 20 30 EGEDHM C=CCC[C@@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000833373652 605144447 /nfs/dbraw/zinc/14/44/47/605144447.db2.gz WHYCQXNYNDMZKK-QGZVFWFLSA-N -1 3 344.455 3.187 20 30 EGEDHM FC(F)(F)c1ccc(C#CCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000822723286 606638118 /nfs/dbraw/zinc/63/81/18/606638118.db2.gz CPOMOYLHVOZNDZ-UHFFFAOYSA-N -1 3 344.296 3.316 20 30 EGEDHM FC(F)(F)c1ccc(C#CCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000822723286 606638119 /nfs/dbraw/zinc/63/81/19/606638119.db2.gz CPOMOYLHVOZNDZ-UHFFFAOYSA-N -1 3 344.296 3.316 20 30 EGEDHM C[C@H](CC#N)OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824385648 609384617 /nfs/dbraw/zinc/38/46/17/609384617.db2.gz YIUPEFJPWQNEDZ-GFCCVEGCSA-N -1 3 349.350 3.118 20 30 EGEDHM C[C@H](CC#N)OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824385648 609384619 /nfs/dbraw/zinc/38/46/19/609384619.db2.gz YIUPEFJPWQNEDZ-GFCCVEGCSA-N -1 3 349.350 3.118 20 30 EGEDHM Cc1nc(C)c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000826324444 609473793 /nfs/dbraw/zinc/47/37/93/609473793.db2.gz RBFIEBLWBSHIQM-UHFFFAOYSA-N -1 3 333.808 3.039 20 30 EGEDHM Cc1nc(C)c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000826324444 609473795 /nfs/dbraw/zinc/47/37/95/609473795.db2.gz RBFIEBLWBSHIQM-UHFFFAOYSA-N -1 3 333.808 3.039 20 30 EGEDHM C#CCCOc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000823844668 609484881 /nfs/dbraw/zinc/48/48/81/609484881.db2.gz FZXZTRJRZPTERG-UHFFFAOYSA-N -1 3 333.395 3.189 20 30 EGEDHM C#CCCOc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000823844668 609484884 /nfs/dbraw/zinc/48/48/84/609484884.db2.gz FZXZTRJRZPTERG-UHFFFAOYSA-N -1 3 333.395 3.189 20 30 EGEDHM N#Cc1c2c(sc1NC=C1C(=O)[N-]C(=O)c3ccccc31)CCCC2 ZINC000016719697 1291177522 /nfs/dbraw/zinc/17/75/22/1291177522.db2.gz BPCOVGNLURXTBB-XNTDXEJSSA-N -1 3 349.415 3.222 20 30 EGEDHM COc1cc(C(=O)/C=C\c2cn(C)nc2-c2ccncc2)ccc1[O-] ZINC000066406692 1292115318 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/nfs/dbraw/zinc/00/58/27/575005827.db2.gz KFFQFIPBDRHDIR-UHFFFAOYSA-N -1 3 329.335 3.309 20 30 EGEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000730996432 575042900 /nfs/dbraw/zinc/04/29/00/575042900.db2.gz PUNGMBLMXPBDHC-UHFFFAOYSA-N -1 3 341.432 3.378 20 30 EGEDHM COC(=O)N(C)Cc1ccc(N=Cc2c([O-])cccc2OC)cc1 ZINC000735229050 575619621 /nfs/dbraw/zinc/61/96/21/575619621.db2.gz PPZFLVYDEIHYJY-UHFFFAOYSA-N -1 3 328.368 3.350 20 30 EGEDHM CCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000736304220 575930998 /nfs/dbraw/zinc/93/09/98/575930998.db2.gz MDEPXDKFXLZZQW-QBFSEMIESA-N -1 3 344.378 3.170 20 30 EGEDHM CCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000736304220 575931001 /nfs/dbraw/zinc/93/10/01/575931001.db2.gz MDEPXDKFXLZZQW-QBFSEMIESA-N -1 3 344.378 3.170 20 30 EGEDHM CCc1ccc([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736687757 576005960 /nfs/dbraw/zinc/00/59/60/576005960.db2.gz OYWLXTNIXNDJBY-LBPRGKRZSA-N -1 3 346.394 3.043 20 30 EGEDHM CCc1ccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736687757 576005961 /nfs/dbraw/zinc/00/59/61/576005961.db2.gz OYWLXTNIXNDJBY-LBPRGKRZSA-N -1 3 346.394 3.043 20 30 EGEDHM CCCOCc1ccccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737027462 576083506 /nfs/dbraw/zinc/08/35/06/576083506.db2.gz CXBITSOKBNGZNV-IBGZPJMESA-N -1 3 338.407 3.400 20 30 EGEDHM N#Cc1ccc([C@@H](NCc2ccc(C(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000739105308 576378220 /nfs/dbraw/zinc/37/82/20/576378220.db2.gz GENGOBJXVJSUED-OAHLLOKOSA-N -1 3 334.297 3.493 20 30 EGEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000741656169 576708799 /nfs/dbraw/zinc/70/87/99/576708799.db2.gz JANDFVFWEARQMP-UHFFFAOYSA-N -1 3 338.388 3.048 20 30 EGEDHM COc1cccc([O-])c1/C=N\[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000741845627 576727174 /nfs/dbraw/zinc/72/71/74/576727174.db2.gz UGIAMXLOIGHHJO-WBRURWICSA-N -1 3 338.407 3.324 20 30 EGEDHM N#Cc1ccc(F)c(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000742382517 576776862 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FC(F)(F)c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822723912 607252664 /nfs/dbraw/zinc/25/26/64/607252664.db2.gz SKWLEDNQBCDQJB-UHFFFAOYSA-N -1 3 346.316 3.009 20 30 EGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504343 607460771 /nfs/dbraw/zinc/46/07/71/607460771.db2.gz PBILLVPVONAJKL-XGICHPGQSA-N -1 3 340.745 3.482 20 30 EGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504343 607460772 /nfs/dbraw/zinc/46/07/72/607460772.db2.gz PBILLVPVONAJKL-XGICHPGQSA-N -1 3 340.745 3.482 20 30 EGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cc2c(s1)CCC2 ZINC000822922974 607462183 /nfs/dbraw/zinc/46/21/83/607462183.db2.gz LSFOMRDJDXUWRM-VOTSOKGWSA-N -1 3 340.383 3.452 20 30 EGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cc2c(s1)CCC2 ZINC000822922974 607462184 /nfs/dbraw/zinc/46/21/84/607462184.db2.gz LSFOMRDJDXUWRM-VOTSOKGWSA-N -1 3 340.383 3.452 20 30 EGEDHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc2n1 ZINC000832000001 600756783 /nfs/dbraw/zinc/75/67/83/600756783.db2.gz 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ZINC000820487759 606354189 /nfs/dbraw/zinc/35/41/89/606354189.db2.gz INLLLGQWIYDAKE-NHAQELONSA-N -1 3 345.362 3.056 20 30 EGEDHM C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820487759 606354190 /nfs/dbraw/zinc/35/41/90/606354190.db2.gz INLLLGQWIYDAKE-NHAQELONSA-N -1 3 345.362 3.056 20 30 EGEDHM N#Cc1ccc(Cl)cc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822826432 606779283 /nfs/dbraw/zinc/77/92/83/606779283.db2.gz YDGPZFUPDDGOFD-UHFFFAOYSA-N -1 3 329.722 3.110 20 30 EGEDHM N#Cc1ccc(Cl)cc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822826432 606779284 /nfs/dbraw/zinc/77/92/84/606779284.db2.gz YDGPZFUPDDGOFD-UHFFFAOYSA-N -1 3 329.722 3.110 20 30 EGEDHM Cn1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000826358426 607884884 /nfs/dbraw/zinc/88/48/84/607884884.db2.gz SWMFNRRNKPVTED-ZHACJKMWSA-N -1 3 329.363 3.255 20 30 EGEDHM Cn1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000826358426 607884885 /nfs/dbraw/zinc/88/48/85/607884885.db2.gz SWMFNRRNKPVTED-ZHACJKMWSA-N -1 3 329.363 3.255 20 30 EGEDHM COc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826207855 607984089 /nfs/dbraw/zinc/98/40/89/607984089.db2.gz HTSHRVVAOJYGIO-UHFFFAOYSA-N -1 3 337.408 3.180 20 30 EGEDHM COc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826207855 607984090 /nfs/dbraw/zinc/98/40/90/607984090.db2.gz HTSHRVVAOJYGIO-UHFFFAOYSA-N -1 3 337.408 3.180 20 30 EGEDHM COc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000826210428 609449106 /nfs/dbraw/zinc/44/91/06/609449106.db2.gz RFXVARPNGKKQMV-UHFFFAOYSA-N -1 3 334.792 3.036 20 30 EGEDHM C#CCCCCCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823841999 609616849 /nfs/dbraw/zinc/61/68/49/609616849.db2.gz XDANSBDUQYMHTC-UHFFFAOYSA-N -1 3 332.791 3.147 20 30 EGEDHM C#CCCCCCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823841999 609616851 /nfs/dbraw/zinc/61/68/51/609616851.db2.gz XDANSBDUQYMHTC-UHFFFAOYSA-N -1 3 332.791 3.147 20 30 EGEDHM CC(C)(C)n1ncc2c1nc(N=NCc1c[nH]c3ccccc13)[n-]c2=O ZINC000769814081 1303179288 /nfs/dbraw/zinc/17/92/88/1303179288.db2.gz XPUSWXALWMBLQC-UHFFFAOYSA-N -1 3 349.398 3.214 20 30 EGEDHM Cc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(Cl)c1 ZINC000128591525 1293598593 /nfs/dbraw/zinc/59/85/93/1293598593.db2.gz BDYRZSHSVHEHNS-UHFFFAOYSA-N -1 3 344.798 3.363 20 30 EGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cccnc1 ZINC000193465224 1295872598 /nfs/dbraw/zinc/87/25/98/1295872598.db2.gz MZTMXGAJOWVRJD-LLVKDONJSA-N -1 3 334.162 3.350 20 30 EGEDHM O=C1[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCCN1CC(F)(F)F ZINC000255200578 1296508444 /nfs/dbraw/zinc/50/84/44/1296508444.db2.gz REGCVIJUORMSAJ-PUVJPQRFSA-N -1 3 334.725 3.018 20 30 EGEDHM O=C(C/N=C\c1cc(Br)ccc1[O-])NC1CCCCC1 ZINC000255624238 1296555494 /nfs/dbraw/zinc/55/54/94/1296555494.db2.gz HSYBHSIIWSAKRD-MFOYZWKCSA-N -1 3 339.233 3.023 20 30 EGEDHM C[S@@](=O)Cc1ccc(Cl)c(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255639732 1296556529 /nfs/dbraw/zinc/55/65/29/1296556529.db2.gz QPTYKWDLNJJZRY-JOCHJYFZSA-N -1 3 339.800 3.086 20 30 EGEDHM CCO[C@H]1CCC[C@@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000873600929 1297625772 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Cc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1[O-] ZINC000766033408 1302374395 /nfs/dbraw/zinc/37/43/95/1302374395.db2.gz LMUBSQPURTWTAV-CLTKARDFSA-N -1 3 328.280 3.413 20 30 EGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(-c2ccco2)s1 ZINC000766279072 1302419800 /nfs/dbraw/zinc/41/98/00/1302419800.db2.gz XRABRFBZDKWSDV-NSHDSACASA-N -1 3 337.360 3.364 20 30 EGEDHM CCOc1ccc(N=Cc2c([O-])c(C)ncc2CO)c2ncccc12 ZINC000767336392 1302642562 /nfs/dbraw/zinc/64/25/62/1302642562.db2.gz DJGTUAFZFBOTEV-UHFFFAOYSA-N -1 3 337.379 3.285 20 30 EGEDHM C#CCOc1ccccc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000768226341 1302859156 /nfs/dbraw/zinc/85/91/56/1302859156.db2.gz MMKIAIIDDAULSN-UHFFFAOYSA-N -1 3 349.430 3.499 20 30 EGEDHM C=CCn1c(SCc2nc(C)cc(=O)[n-]2)nnc1-c1cccs1 ZINC000768415188 1302898441 /nfs/dbraw/zinc/89/84/41/1302898441.db2.gz OUOUWBBBSJVUPI-UHFFFAOYSA-N -1 3 345.453 3.289 20 30 EGEDHM COc1ccc(NN=C(C)c2cc(Br)ccc2[O-])nc1 ZINC000780270373 1304668369 /nfs/dbraw/zinc/66/83/69/1304668369.db2.gz 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455397363 /nfs/dbraw/zinc/39/73/63/455397363.db2.gz VIWPQDLMAKBMKQ-OAHLLOKOSA-N -1 3 343.390 3.115 20 30 EGEDHM C=C(C)[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(F)c(F)c1 ZINC000184855687 455461462 /nfs/dbraw/zinc/46/14/62/455461462.db2.gz XJANJUDXMPNKKN-MRXNPFEDSA-N -1 3 328.322 3.283 20 30 EGEDHM C=CCN(CCOC)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000191976045 455537622 /nfs/dbraw/zinc/53/76/22/455537622.db2.gz UYMZMUKOMOWHKJ-UHFFFAOYSA-N -1 3 341.407 3.246 20 30 EGEDHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)cc1F ZINC000161173005 455543855 /nfs/dbraw/zinc/54/38/55/455543855.db2.gz QNDCOKYMUJIIIM-AWEZNQCLSA-N -1 3 328.384 3.024 20 30 EGEDHM N#C[C@@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1ccccc1F ZINC000161365321 455562706 /nfs/dbraw/zinc/56/27/06/455562706.db2.gz HQRRKCWKGWBXHH-LLVKDONJSA-N -1 3 326.224 3.377 20 30 EGEDHM CCC[C@H](C)C(=O)NCC/N=C/c1cc(Br)ccc1[O-] ZINC000292314488 455625796 /nfs/dbraw/zinc/62/57/96/455625796.db2.gz LSCQHSPGXHOBTI-MUOOZZNISA-N -1 3 341.249 3.126 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1[O-] ZINC000271639598 455707534 /nfs/dbraw/zinc/70/75/34/455707534.db2.gz QXDBXYQXYYIYJL-FWMUBMEISA-N -1 3 346.814 3.190 20 30 EGEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1nc(C)cs1 ZINC000277987452 455727538 /nfs/dbraw/zinc/72/75/38/455727538.db2.gz MPPDVJRKYVNRED-AWEZNQCLSA-N -1 3 335.454 3.061 20 30 EGEDHM Cc1cc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)sc1Cl ZINC000188448181 456065090 /nfs/dbraw/zinc/06/50/90/456065090.db2.gz QVPZHZFSRLOUHD-LLVKDONJSA-N -1 3 332.878 3.461 20 30 EGEDHM Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188692660 456115407 /nfs/dbraw/zinc/11/54/07/456115407.db2.gz VXLVBGHHLBJVDW-UHFFFAOYSA-N -1 3 335.407 3.420 20 30 EGEDHM C=CCSCCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189022221 456203367 /nfs/dbraw/zinc/20/33/67/456203367.db2.gz RHYLAKVYMYAFBM-UHFFFAOYSA-N -1 3 341.432 3.272 20 30 EGEDHM CCCOc1ccc(/C=N/[C@@H]2C[C@H](OCC)[C@@]23CCCO3)c([O-])c1 ZINC000273543777 456236965 /nfs/dbraw/zinc/23/69/65/456236965.db2.gz UHQUTEHTFKSUHC-MCXDRUEOSA-N -1 3 333.428 3.327 20 30 EGEDHM CCc1cc(C(=O)N(CCOC)Cc2ccc(C#N)cc2)ccc1[O-] ZINC000291498195 456661198 /nfs/dbraw/zinc/66/11/98/456661198.db2.gz OSGSLGIRAXOZSU-UHFFFAOYSA-N -1 3 338.407 3.115 20 30 EGEDHM CN(C)c1cc(Br)cc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000344749338 456854185 /nfs/dbraw/zinc/85/41/85/456854185.db2.gz UCRSEBIZUHTDQE-AWEZNQCLSA-N -1 3 344.212 3.400 20 30 EGEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000329217265 456855203 /nfs/dbraw/zinc/85/52/03/456855203.db2.gz PWMIVFBAPFNILC-MNOVXSKESA-N -1 3 337.763 3.153 20 30 EGEDHM C=CCOc1ccc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1OC ZINC000341626558 456882311 /nfs/dbraw/zinc/88/23/11/456882311.db2.gz MVYRKCWNMPSKEY-UHFFFAOYSA-N -1 3 349.390 3.324 20 30 EGEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000344996043 456891164 /nfs/dbraw/zinc/89/11/64/456891164.db2.gz MTXZKJFZVKGHLR-UHFFFAOYSA-N -1 3 349.481 3.418 20 30 EGEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000362866995 457133204 /nfs/dbraw/zinc/13/32/04/457133204.db2.gz KCYMQQCQJPDZPL-UHFFFAOYSA-N -1 3 346.717 3.430 20 30 EGEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000331228552 457149860 /nfs/dbraw/zinc/14/98/60/457149860.db2.gz FSXWMNDXSMLBKV-NVXWUHKLSA-N -1 3 334.416 3.249 20 30 EGEDHM N#Cc1c([N-]C(=O)c2ccc(C(N)=O)s2)sc2c1CCCCC2 ZINC000342287206 457214072 /nfs/dbraw/zinc/21/40/72/457214072.db2.gz VWDNVHQNMBAPPP-UHFFFAOYSA-N -1 3 345.449 3.301 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)cc1Br ZINC000354460713 457238676 /nfs/dbraw/zinc/23/86/76/457238676.db2.gz FQFKXJQRPGBEGP-LBPRGKRZSA-N -1 3 330.185 3.346 20 30 EGEDHM N#CC(=C([O-])c1ccccc1NC(=O)c1cccs1)c1ccncn1 ZINC000354473652 457246507 /nfs/dbraw/zinc/24/65/07/457246507.db2.gz VVVINLNVPSCGSR-CYBMUJFWSA-N -1 3 348.387 3.280 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)c2cnn(C)c2n1 ZINC000361522789 457768671 /nfs/dbraw/zinc/76/86/71/457768671.db2.gz BMHZDYGSGWZHRV-MRXNPFEDSA-N -1 3 341.374 3.315 20 30 EGEDHM COc1ccc(NC(=O)CCCCOc2cccc(C#N)c2)c([O-])c1 ZINC000443558197 457780414 /nfs/dbraw/zinc/78/04/14/457780414.db2.gz JVKDXIMMAMJVOL-UHFFFAOYSA-N -1 3 340.379 3.460 20 30 EGEDHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)cc2[nH]1 ZINC000358169092 457831119 /nfs/dbraw/zinc/83/11/19/457831119.db2.gz QNRJWMKVSWGJEB-UHFFFAOYSA-N -1 3 346.799 3.197 20 30 EGEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccccc1SC ZINC000444070258 457848595 /nfs/dbraw/zinc/84/85/95/457848595.db2.gz ANVXSUXPXSGEKM-UHFFFAOYSA-N -1 3 349.477 3.452 20 30 EGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(OC(F)F)cn3)nc21 ZINC000358374478 457962848 /nfs/dbraw/zinc/96/28/48/457962848.db2.gz WBMASAFTMCEIDR-LLVKDONJSA-N -1 3 342.305 3.358 20 30 EGEDHM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000434635978 458027899 /nfs/dbraw/zinc/02/78/99/458027899.db2.gz YCDDBQPQPPMDPU-UHFFFAOYSA-N -1 3 334.372 3.124 20 30 EGEDHM N#Cc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)s1 ZINC000362244058 458048756 /nfs/dbraw/zinc/04/87/56/458048756.db2.gz INUAYCCMLBQALE-UHFFFAOYSA-N -1 3 335.348 3.403 20 30 EGEDHM N#Cc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)s1 ZINC000362244058 458048761 /nfs/dbraw/zinc/04/87/61/458048761.db2.gz INUAYCCMLBQALE-UHFFFAOYSA-N -1 3 335.348 3.403 20 30 EGEDHM N#Cc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)s1 ZINC000362244058 458048766 /nfs/dbraw/zinc/04/87/66/458048766.db2.gz INUAYCCMLBQALE-UHFFFAOYSA-N -1 3 335.348 3.403 20 30 EGEDHM C=CCOCCCC(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000362244178 458049679 /nfs/dbraw/zinc/04/96/79/458049679.db2.gz KGRUKPZSMYQLTO-UHFFFAOYSA-N -1 3 326.356 3.139 20 30 EGEDHM C=CCOCCCC(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000362244178 458049682 /nfs/dbraw/zinc/04/96/82/458049682.db2.gz KGRUKPZSMYQLTO-UHFFFAOYSA-N -1 3 326.356 3.139 20 30 EGEDHM C=CCOCCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362244178 458049684 /nfs/dbraw/zinc/04/96/84/458049684.db2.gz KGRUKPZSMYQLTO-UHFFFAOYSA-N -1 3 326.356 3.139 20 30 EGEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)Cc2c(F)cccc2F)c1 ZINC000446752369 458223582 /nfs/dbraw/zinc/22/35/82/458223582.db2.gz ODCLAZIGXIKCQD-UHFFFAOYSA-N -1 3 342.754 3.432 20 30 EGEDHM C[C@H](C#N)S(=O)(=O)[N-][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000416482175 458348237 /nfs/dbraw/zinc/34/82/37/458348237.db2.gz FAXULPGVQWSYGO-AMIZOPFISA-N -1 3 333.240 3.276 20 30 EGEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420747390 458400059 /nfs/dbraw/zinc/40/00/59/458400059.db2.gz IZXHLYWZHVSYQF-UHFFFAOYSA-N -1 3 339.791 3.432 20 30 EGEDHM N#CCc1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c(Cl)c1 ZINC000451507197 458479563 /nfs/dbraw/zinc/47/95/63/458479563.db2.gz VBFBSXMJZFVZRC-NSHDSACASA-N -1 3 348.802 3.120 20 30 EGEDHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000461865530 458575918 /nfs/dbraw/zinc/57/59/18/458575918.db2.gz YYAPFKYNZGIIEH-CMPLNLGQSA-N -1 3 346.374 3.292 20 30 EGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3noc4c3C[C@@H](C)CC4)[nH]c21 ZINC000518957976 458902194 /nfs/dbraw/zinc/90/21/94/458902194.db2.gz KIUILELLTJBUPO-GXFFZTMASA-N -1 3 334.379 3.474 20 30 EGEDHM N#CCc1ccnc(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)c1 ZINC000532180449 459042333 /nfs/dbraw/zinc/04/23/33/459042333.db2.gz WLWQJLPYVBXCLQ-UHFFFAOYSA-N -1 3 337.770 3.443 20 30 EGEDHM N#CCc1ccnc(NC(=O)c2cn[n-]c2-c2cccc(Cl)c2)c1 ZINC000532180449 459042336 /nfs/dbraw/zinc/04/23/36/459042336.db2.gz WLWQJLPYVBXCLQ-UHFFFAOYSA-N -1 3 337.770 3.443 20 30 EGEDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)s1 ZINC000443109182 459088721 /nfs/dbraw/zinc/08/87/21/459088721.db2.gz OWKJBDNVIHWUQC-UHFFFAOYSA-N -1 3 326.830 3.060 20 30 EGEDHM C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000478892324 459113599 /nfs/dbraw/zinc/11/35/99/459113599.db2.gz LPTVBWCHUXYQPF-UHFFFAOYSA-N -1 3 349.390 3.180 20 30 EGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594769795 459152999 /nfs/dbraw/zinc/15/29/99/459152999.db2.gz FDPYBJWQWDRHQI-LBPRGKRZSA-N -1 3 349.412 3.166 20 30 EGEDHM CC[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000594791055 459155799 /nfs/dbraw/zinc/15/57/99/459155799.db2.gz JTSYRJKHKFSRFK-ZDUSSCGKSA-N -1 3 338.429 3.058 20 30 EGEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496451454 459198121 /nfs/dbraw/zinc/19/81/21/459198121.db2.gz BRZTWZBPMYRDDT-ZIAGYGMSSA-N -1 3 340.464 3.282 20 30 EGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3coc4c3C(=O)CCC4)nc21 ZINC000579198045 459244078 /nfs/dbraw/zinc/24/40/78/459244078.db2.gz UFBWXNODLLXSEG-NSHDSACASA-N -1 3 333.347 3.473 20 30 EGEDHM C=CCN(C(=O)c1cccc2nn[n-]c21)c1nc2c(s1)CCCC2 ZINC000525866010 459508161 /nfs/dbraw/zinc/50/81/61/459508161.db2.gz ZLGKSSUJHJTIMY-UHFFFAOYSA-N -1 3 339.424 3.126 20 30 EGEDHM C=CCN(C(=O)c1cccc2[n-]nnc21)c1nc2c(s1)CCCC2 ZINC000525866010 459508166 /nfs/dbraw/zinc/50/81/66/459508166.db2.gz ZLGKSSUJHJTIMY-UHFFFAOYSA-N -1 3 339.424 3.126 20 30 EGEDHM C=CCN(C(=O)c1cccc2n[n-]nc21)c1nc2c(s1)CCCC2 ZINC000525866010 459508169 /nfs/dbraw/zinc/50/81/69/459508169.db2.gz ZLGKSSUJHJTIMY-UHFFFAOYSA-N -1 3 339.424 3.126 20 30 EGEDHM Cc1cscc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000487391464 459529990 /nfs/dbraw/zinc/52/99/90/459529990.db2.gz JAYBZFKRIZODTE-UHFFFAOYSA-N -1 3 326.830 3.060 20 30 EGEDHM C#C[C@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(F)cc1 ZINC000491241376 459608065 /nfs/dbraw/zinc/60/80/65/459608065.db2.gz IWBWDOWWJYVCLP-LBPRGKRZSA-N -1 3 325.236 3.486 20 30 EGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1cncc([O-])c1 ZINC000493529219 459749076 /nfs/dbraw/zinc/74/90/76/459749076.db2.gz SEXYEJZQHJRNDT-FPLPWBNLSA-N -1 3 335.407 3.357 20 30 EGEDHM CCN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000589205783 460054472 /nfs/dbraw/zinc/05/44/72/460054472.db2.gz INJSQVDLDAEENT-IBGZPJMESA-N -1 3 349.434 3.000 20 30 EGEDHM C[C@H](NCCCC#N)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000599045454 460138442 /nfs/dbraw/zinc/13/84/42/460138442.db2.gz QVNICNQCINMFRO-HNNXBMFYSA-N -1 3 343.452 3.442 20 30 EGEDHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000611015764 460278999 /nfs/dbraw/zinc/27/89/99/460278999.db2.gz VBAPZVOTBMRAPY-JTQLQIEISA-N -1 3 340.857 3.183 20 30 EGEDHM CC(C)CCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000604026796 460370749 /nfs/dbraw/zinc/37/07/49/460370749.db2.gz PUNURNZRUWFBGE-UHFFFAOYSA-N -1 3 334.363 3.292 20 30 EGEDHM Cc1[nH]c(-c2ccccc2)nc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000613296527 460899853 /nfs/dbraw/zinc/89/98/53/460899853.db2.gz IXJNTVSWZHRJBC-OAHLLOKOSA-N -1 3 331.379 3.282 20 30 EGEDHM Cn1ncc(C2CC2)c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000659115048 461166990 /nfs/dbraw/zinc/16/69/90/461166990.db2.gz NWYUDJSDUWNIKI-NSHDSACASA-N -1 3 334.301 3.201 20 30 EGEDHM N#CC(=C([O-])c1cccc2ccncc21)c1nnc2n1CCCCC2 ZINC000647195396 461556699 /nfs/dbraw/zinc/55/66/99/461556699.db2.gz OJOQEMGBEVVTSH-OAHLLOKOSA-N -1 3 331.379 3.043 20 30 EGEDHM N#CC(=C([O-])c1cnc2n1CCCC2)c1nc2cc(F)ccc2s1 ZINC000651639372 462286603 /nfs/dbraw/zinc/28/66/03/462286603.db2.gz KFRSNNOTFKAZIT-NSHDSACASA-N -1 3 340.383 3.458 20 30 EGEDHM C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1[O-] ZINC000677521344 549284561 /nfs/dbraw/zinc/28/45/61/549284561.db2.gz KOUJJLMMFSYCDT-UHFFFAOYSA-N -1 3 335.363 3.395 20 30 EGEDHM Cc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1OCC(F)F ZINC000726739519 574569273 /nfs/dbraw/zinc/56/92/73/574569273.db2.gz ASBVYGPUIDZPBL-UHFFFAOYSA-N -1 3 336.338 3.291 20 30 EGEDHM C#Cc1ccc(C(=O)Nc2cccc(-c3nc(CC)cc(=O)[n-]3)c2)nc1 ZINC000728815210 574773746 /nfs/dbraw/zinc/77/37/46/574773746.db2.gz TUKNKPSYAVZLTI-UHFFFAOYSA-N -1 3 344.374 3.040 20 30 EGEDHM Cc1ccc([N-]N=C2c3ccccc3N(Cc3ccccc3)C2=O)nn1 ZINC000729935587 574897340 /nfs/dbraw/zinc/89/73/40/574897340.db2.gz FSDQTMBHEMGIBQ-UHFFFAOYSA-N -1 3 343.390 3.148 20 30 EGEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OCCC)cc2)cc1 ZINC000730995976 575042677 /nfs/dbraw/zinc/04/26/77/575042677.db2.gz FSHZVKAQANGDSJ-UHFFFAOYSA-N -1 3 345.420 3.288 20 30 EGEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc([O-])cs1 ZINC000732265565 575250418 /nfs/dbraw/zinc/25/04/18/575250418.db2.gz AIVMNZNDZXQGEU-UHFFFAOYSA-N -1 3 325.311 3.254 20 30 EGEDHM N#Cc1cccc(OCC(=O)[N-]c2cc(-c3ccccc3F)no2)c1 ZINC000732830821 575290700 /nfs/dbraw/zinc/29/07/00/575290700.db2.gz VHGWTLIUFXEBIS-UHFFFAOYSA-N -1 3 337.310 3.370 20 30 EGEDHM CC(CCc1ccccc1F)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000734095989 575439518 /nfs/dbraw/zinc/43/95/18/575439518.db2.gz GDVJPIRUSYYAGQ-UHFFFAOYSA-N -1 3 334.416 3.254 20 30 EGEDHM COc1cc(C=NNc2cc(F)c(F)cc2F)c([N+](=O)[O-])cc1[O-] ZINC000734301845 575463677 /nfs/dbraw/zinc/46/36/77/575463677.db2.gz RUHXBBBLRMRRGT-UHFFFAOYSA-N -1 3 341.245 3.172 20 30 EGEDHM COc1cccc([O-])c1/C=N/C[C@H](O)c1cccc(OC(C)C)c1 ZINC000734980307 575583135 /nfs/dbraw/zinc/58/31/35/575583135.db2.gz YWVLRJFYJFAWCI-PQFHHTBUSA-N -1 3 329.396 3.341 20 30 EGEDHM CC(C)OC(=O)NCc1ccc(N=Cc2cccc([O-])c2O)cc1 ZINC000734979500 575583221 /nfs/dbraw/zinc/58/32/21/575583221.db2.gz QUKWAOFDZGPAEJ-UHFFFAOYSA-N -1 3 328.368 3.483 20 30 EGEDHM C=C(C)COc1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735402596 575657403 /nfs/dbraw/zinc/65/74/03/575657403.db2.gz YMWCEUGIKBKQLW-UHFFFAOYSA-N -1 3 349.394 3.003 20 30 EGEDHM C=C(C)COc1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402596 575657405 /nfs/dbraw/zinc/65/74/05/575657405.db2.gz YMWCEUGIKBKQLW-UHFFFAOYSA-N -1 3 349.394 3.003 20 30 EGEDHM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc2O1 ZINC000736212820 575915571 /nfs/dbraw/zinc/91/55/71/575915571.db2.gz BTSUMJMDSWTPAX-YCRREMRBSA-N -1 3 346.390 3.476 20 30 EGEDHM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc2O1 ZINC000736212820 575915574 /nfs/dbraw/zinc/91/55/74/575915574.db2.gz BTSUMJMDSWTPAX-YCRREMRBSA-N -1 3 346.390 3.476 20 30 EGEDHM CC(C)OCc1ccccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736486361 575971325 /nfs/dbraw/zinc/97/13/25/575971325.db2.gz REQSDRZEJBMMKU-IBGZPJMESA-N -1 3 338.407 3.399 20 30 EGEDHM Cc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)s1 ZINC000737329797 576207291 /nfs/dbraw/zinc/20/72/91/576207291.db2.gz NXSFSWJKCURBRY-FPLPWBNLSA-N -1 3 339.424 3.189 20 30 EGEDHM Cc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)s1 ZINC000737329797 576207294 /nfs/dbraw/zinc/20/72/94/576207294.db2.gz NXSFSWJKCURBRY-FPLPWBNLSA-N -1 3 339.424 3.189 20 30 EGEDHM Cc1ccc(CCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737338217 576209801 /nfs/dbraw/zinc/20/98/01/576209801.db2.gz PTCKLBTUOFZBNP-UHFFFAOYSA-N -1 3 346.394 3.008 20 30 EGEDHM Cc1ccc(CCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737338217 576209802 /nfs/dbraw/zinc/20/98/02/576209802.db2.gz PTCKLBTUOFZBNP-UHFFFAOYSA-N -1 3 346.394 3.008 20 30 EGEDHM C#CCOc1ccc(F)cc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000741730326 576714949 /nfs/dbraw/zinc/71/49/49/576714949.db2.gz NJMJCVQTQLMITR-UHFFFAOYSA-N -1 3 325.299 3.073 20 30 EGEDHM C#CCOc1ccc(F)cc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000741730326 576714952 /nfs/dbraw/zinc/71/49/52/576714952.db2.gz NJMJCVQTQLMITR-UHFFFAOYSA-N -1 3 325.299 3.073 20 30 EGEDHM C/C(C=N[N-]S(=O)(=O)CCc1ccccc1)=C\c1ccccc1 ZINC000743448256 576809366 /nfs/dbraw/zinc/80/93/66/576809366.db2.gz GUKNFSZSKSRJOE-CSJGLSHJSA-N -1 3 328.437 3.238 20 30 EGEDHM Cc1cc(C)c(C=N[N-]S(=O)(=O)CCc2ccccc2)cc1C ZINC000743449168 576809450 /nfs/dbraw/zinc/80/94/50/576809450.db2.gz OYYKAAHRQJJXIO-UHFFFAOYSA-N -1 3 330.453 3.108 20 30 EGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])C=C(C)C(C)(C)C)cc1OC ZINC000744031884 576819306 /nfs/dbraw/zinc/81/93/06/576819306.db2.gz CWNBAMOBAVNOFR-FWLQQBITSA-N -1 3 344.411 3.344 20 30 EGEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1C ZINC000821786527 599113274 /nfs/dbraw/zinc/11/32/74/599113274.db2.gz FGQZISAFJHLYKA-XNTDXEJSSA-N -1 3 346.390 3.396 20 30 EGEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1C ZINC000821786527 599113277 /nfs/dbraw/zinc/11/32/77/599113277.db2.gz FGQZISAFJHLYKA-XNTDXEJSSA-N -1 3 346.390 3.396 20 30 EGEDHM O=C1C(=Cc2ccc3c(c2)CCO3)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505195 599115377 /nfs/dbraw/zinc/11/53/77/599115377.db2.gz YVNATJVDLCFWFI-XNTDXEJSSA-N -1 3 344.374 3.014 20 30 EGEDHM O=C1C(=Cc2ccc3c(c2)CCO3)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505195 599115379 /nfs/dbraw/zinc/11/53/79/599115379.db2.gz YVNATJVDLCFWFI-XNTDXEJSSA-N -1 3 344.374 3.014 20 30 EGEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000821769374 607455778 /nfs/dbraw/zinc/45/57/78/607455778.db2.gz HBIIBCQAXJPLKE-DAXSKMNVSA-N -1 3 342.305 3.050 20 30 EGEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000821769374 607455780 /nfs/dbraw/zinc/45/57/80/607455780.db2.gz HBIIBCQAXJPLKE-DAXSKMNVSA-N -1 3 342.305 3.050 20 30 EGEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000822669898 607460088 /nfs/dbraw/zinc/46/00/88/607460088.db2.gz UARDRKRQJNAGEK-CMDGGOBGSA-N -1 3 347.353 3.394 20 30 EGEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000822669898 607460090 /nfs/dbraw/zinc/46/00/90/607460090.db2.gz UARDRKRQJNAGEK-CMDGGOBGSA-N -1 3 347.353 3.394 20 30 EGEDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Cl ZINC000832342780 602179569 /nfs/dbraw/zinc/17/95/69/602179569.db2.gz YOFVJYUQSQLWLI-INIZCTEOSA-N -1 3 330.771 3.136 20 30 EGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CCO2 ZINC000822274646 606389261 /nfs/dbraw/zinc/38/92/61/606389261.db2.gz DRCNSPNOSYVESU-LUAWRHEFSA-N -1 3 338.392 3.285 20 30 EGEDHM CC(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820206581 606930450 /nfs/dbraw/zinc/93/04/50/606930450.db2.gz RBQRJXOGZWTIHF-FPLPWBNLSA-N -1 3 325.397 3.343 20 30 EGEDHM CC(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820206581 606930451 /nfs/dbraw/zinc/93/04/51/606930451.db2.gz RBQRJXOGZWTIHF-FPLPWBNLSA-N -1 3 325.397 3.343 20 30 EGEDHM C=C[C@H](CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883250 607969311 /nfs/dbraw/zinc/96/93/11/607969311.db2.gz MHTAHPQILASKPW-HUUCEWRRSA-N -1 3 347.422 3.404 20 30 EGEDHM C=C[C@H](CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883250 607969312 /nfs/dbraw/zinc/96/93/12/607969312.db2.gz MHTAHPQILASKPW-HUUCEWRRSA-N -1 3 347.422 3.404 20 30 EGEDHM C=C[C@H](CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823883007 608005925 /nfs/dbraw/zinc/00/59/25/608005925.db2.gz IIWKUSWUBLKMPU-GFCCVEGCSA-N -1 3 337.358 3.304 20 30 EGEDHM C=C[C@H](CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823883007 608005926 /nfs/dbraw/zinc/00/59/26/608005926.db2.gz IIWKUSWUBLKMPU-GFCCVEGCSA-N -1 3 337.358 3.304 20 30 EGEDHM O=C(C=Cc1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400351 609272307 /nfs/dbraw/zinc/27/23/07/609272307.db2.gz WOJSDGGAZIBWHI-DUXPYHPUSA-N -1 3 348.259 3.319 20 30 EGEDHM O=C(C=Cc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400351 609272308 /nfs/dbraw/zinc/27/23/08/609272308.db2.gz WOJSDGGAZIBWHI-DUXPYHPUSA-N -1 3 348.259 3.319 20 30 EGEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cc(C#N)cs1 ZINC000824324391 609479056 /nfs/dbraw/zinc/47/90/56/609479056.db2.gz NNXITMPZWQSPEV-UHFFFAOYSA-N -1 3 340.412 3.199 20 30 EGEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cc(C#N)cs1 ZINC000824324391 609479058 /nfs/dbraw/zinc/47/90/58/609479058.db2.gz NNXITMPZWQSPEV-UHFFFAOYSA-N -1 3 340.412 3.199 20 30 EGEDHM N#Cc1ccc(CNN=Cc2cc(Br)ccc2[O-])cc1 ZINC000769821479 1303179860 /nfs/dbraw/zinc/17/98/60/1303179860.db2.gz XTQCVINGHXJKMR-UHFFFAOYSA-N -1 3 330.185 3.150 20 30 EGEDHM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc([O-])cc2)c1C#N ZINC000018170729 1291186684 /nfs/dbraw/zinc/18/66/84/1291186684.db2.gz JNCARLRHVLGGGI-UHFFFAOYSA-N -1 3 333.347 3.115 20 30 EGEDHM [O-]c1ccc(Br)cc1/C=N/C1CCC2(CC1)OCCO2 ZINC000044011835 1291467258 /nfs/dbraw/zinc/46/72/58/1291467258.db2.gz IVXJHHLDIINEOZ-LICLKQGHSA-N -1 3 340.217 3.259 20 30 EGEDHM Cc1noc(-c2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)cc2)n1 ZINC000073974634 1292330493 /nfs/dbraw/zinc/33/04/93/1292330493.db2.gz JOZWPFSJLQYFOY-UHFFFAOYSA-N -1 3 336.311 3.059 20 30 EGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121690715 1293384574 /nfs/dbraw/zinc/38/45/74/1293384574.db2.gz QZHRESBQICEULV-OAHLLOKOSA-N -1 3 331.331 3.303 20 30 EGEDHM COc1cc(C(=O)/C=C/c2cnc3ccc(C)cn23)c(OC)cc1[O-] ZINC000151452794 1293924975 /nfs/dbraw/zinc/92/49/75/1293924975.db2.gz VVPGQKDORJPABJ-AATRIKPKSA-N -1 3 338.363 3.262 20 30 EGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2nc(C)ccc2o1 ZINC000179616868 1294807982 /nfs/dbraw/zinc/80/79/82/1294807982.db2.gz UZHYYHAPIMKDAV-GFCCVEGCSA-N -1 3 349.346 3.106 20 30 EGEDHM CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000193404101 1295862174 /nfs/dbraw/zinc/86/21/74/1295862174.db2.gz PGXQVEPDLZIDNN-CQSZACIVSA-N -1 3 344.802 3.253 20 30 EGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000193398707 1295862536 /nfs/dbraw/zinc/86/25/36/1295862536.db2.gz VGWICHSCYMLTLL-AWEZNQCLSA-N -1 3 343.726 3.209 20 30 EGEDHM COc1cc(C=C2CCc3[nH]c(=O)ccc3C2=O)cc(Cl)c1[O-] ZINC000255012992 1296488495 /nfs/dbraw/zinc/48/84/95/1296488495.db2.gz CUWBNEDMWNKXHK-UXBLZVDNSA-N -1 3 331.755 3.367 20 30 EGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H](O)COc1ccc(F)c(F)c1 ZINC000303994835 1296890817 /nfs/dbraw/zinc/89/08/17/1296890817.db2.gz OSTKOOXRALLTOL-WCRSTISQSA-N -1 3 341.741 3.183 20 30 EGEDHM CC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)c1ccccc1 ZINC000872516127 1296990102 /nfs/dbraw/zinc/99/01/02/1296990102.db2.gz NIUYIVGONDIMKZ-MRXNPFEDSA-N -1 3 348.468 3.041 20 30 EGEDHM N#CC(=C([O-])c1ccc(C#N)[nH]1)c1nc2ccccc2n1C(F)F ZINC000752475972 1299744493 /nfs/dbraw/zinc/74/44/93/1299744493.db2.gz HPHZDHZHWRNBGC-SNVBAGLBSA-N -1 3 325.278 3.121 20 30 EGEDHM CCN1C(=O)C(=NN=Cc2c([O-])cccc2Cl)c2ccccc21 ZINC000755520491 1300352336 /nfs/dbraw/zinc/35/23/36/1300352336.db2.gz ZLLGPHHTYSNNQV-UHFFFAOYSA-N -1 3 327.771 3.235 20 30 EGEDHM COCCn1cc2c(n1)[C@H](/N=C/c1cc(Cl)ccc1[O-])CCC2 ZINC000758813593 1300958221 /nfs/dbraw/zinc/95/82/21/1300958221.db2.gz AHFDVHLASAMSOZ-GDXCHIGESA-N -1 3 333.819 3.385 20 30 EGEDHM N#CC(=C([O-])C=Cc1ccc2[nH]ccc2c1)c1nnc2n1CCCCC2 ZINC000765914596 1302347442 /nfs/dbraw/zinc/34/74/42/1302347442.db2.gz DOXOIKRINISBON-BVBGJJFLSA-N -1 3 345.406 3.375 20 30 EGEDHM N#CC(=C([O-])C=Cc1ccc2[nH]ccc2c1)c1nnc2n1CCCCC2 ZINC000765914597 1302347506 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574810424 /nfs/dbraw/zinc/81/04/24/574810424.db2.gz RKIWYVRQUTZZDK-UHFFFAOYSA-N -1 3 349.383 3.359 20 30 EGEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=S)NC1CCN(C)CC1 ZINC000730954775 575040154 /nfs/dbraw/zinc/04/01/54/575040154.db2.gz KJWNUBDVNFKPMI-ZDUSSCGKSA-N -1 3 348.541 3.319 20 30 EGEDHM Cc1ccc(NC(=S)NN=C2C(=O)[N-]c3c2c(C)ccc3F)cc1 ZINC000732710183 575283858 /nfs/dbraw/zinc/28/38/58/575283858.db2.gz GWQFVNVDTOMITK-UHFFFAOYSA-N -1 3 342.399 3.085 20 30 EGEDHM CO[C@@H](C/N=C/c1cc(Br)ccc1[O-])C(F)(F)F ZINC000733205114 575319788 /nfs/dbraw/zinc/31/97/88/575319788.db2.gz KVOCCCHKEJNOTN-VIMFPOPESA-N -1 3 326.112 3.151 20 30 EGEDHM CC(C)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000733678740 575381099 /nfs/dbraw/zinc/38/10/99/575381099.db2.gz IBRYDFQUAFEFNM-NSHDSACASA-N -1 3 348.765 3.218 20 30 EGEDHM C=CCN(Cc1ncc(C(C)C)o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735426778 575659878 /nfs/dbraw/zinc/65/98/78/575659878.db2.gz WOYQIKDDIBPLCM-UHFFFAOYSA-N -1 3 338.415 3.166 20 30 EGEDHM C=CCN(Cc1ncc(C(C)C)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735426778 575659879 /nfs/dbraw/zinc/65/98/79/575659879.db2.gz WOYQIKDDIBPLCM-UHFFFAOYSA-N -1 3 338.415 3.166 20 30 EGEDHM CC(C)C[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000736414814 575953522 /nfs/dbraw/zinc/95/35/22/575953522.db2.gz JPDYCYPIBFOWIV-JQWIXIFHSA-N -1 3 349.387 3.294 20 30 EGEDHM N#CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000739089246 576377460 /nfs/dbraw/zinc/37/74/60/576377460.db2.gz ZVCZHFPZBMFLQM-INIZCTEOSA-N -1 3 330.771 3.158 20 30 EGEDHM N#Cc1ccc([C@H](N[C@@H](CN2CCCC2)c2ccccc2)C(=O)[O-])cc1 ZINC000739107690 576378306 /nfs/dbraw/zinc/37/83/06/576378306.db2.gz SIXBFEAOOCQMOM-PMACEKPBSA-N -1 3 349.434 3.111 20 30 EGEDHM N#Cc1ccc([C@H](NCCOc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000739107521 576378363 /nfs/dbraw/zinc/37/83/63/576378363.db2.gz RNYDCILSGMRUTF-INIZCTEOSA-N -1 3 330.771 3.006 20 30 EGEDHM Cc1ccc(CC(=N[N-]S(=O)(=O)Cc2ccccc2)C2CC2)cc1 ZINC000741839784 576726792 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CCO[C@@H]1CC(N=Nc2cccc(-c3nnn[n-]3)c2)C12CCCC2 ZINC000821350949 599334611 /nfs/dbraw/zinc/33/46/11/599334611.db2.gz HCZLMKWVCQODBU-OAHLLOKOSA-N -1 3 326.404 3.004 20 30 EGEDHM CCO[C@@H]1CC(N=Nc2cccc(-c3nn[n-]n3)c2)C12CCCC2 ZINC000821350949 599334614 /nfs/dbraw/zinc/33/46/14/599334614.db2.gz HCZLMKWVCQODBU-OAHLLOKOSA-N -1 3 326.404 3.004 20 30 EGEDHM CC[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000828983198 601308116 /nfs/dbraw/zinc/30/81/16/601308116.db2.gz PIZONBUVBSUDTG-IAGOWNOFSA-N -1 3 339.351 3.333 20 30 EGEDHM C=CCC[C@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000833373651 605144268 /nfs/dbraw/zinc/14/42/68/605144268.db2.gz WHYCQXNYNDMZKK-KRWDZBQOSA-N -1 3 344.455 3.187 20 30 EGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000822801460 606420227 /nfs/dbraw/zinc/42/02/27/606420227.db2.gz JQWJZYBMIPZOGI-HOCLYGCPSA-N -1 3 348.385 3.282 20 30 EGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC000822801460 606420230 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ZINC000822198624 607148820 /nfs/dbraw/zinc/14/88/20/607148820.db2.gz CNTAMGOUNHODQA-WAYWQWQTSA-N -1 3 325.759 3.120 20 30 EGEDHM CSCCCN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826228098 607887777 /nfs/dbraw/zinc/88/77/77/607887777.db2.gz DZGFJRIEVJHPLZ-UHFFFAOYSA-N -1 3 330.339 3.036 20 30 EGEDHM CSCCCN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826228098 607887778 /nfs/dbraw/zinc/88/77/78/607887778.db2.gz DZGFJRIEVJHPLZ-UHFFFAOYSA-N -1 3 330.339 3.036 20 30 EGEDHM C=C[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC000823882737 607994612 /nfs/dbraw/zinc/99/46/12/607994612.db2.gz CMOZCGXBDTVAGL-CQSZACIVSA-N -1 3 333.395 3.474 20 30 EGEDHM C=C[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC000823882737 607994613 /nfs/dbraw/zinc/99/46/13/607994613.db2.gz CMOZCGXBDTVAGL-CQSZACIVSA-N -1 3 333.395 3.474 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccccc1Cl ZINC000060943639 1291953240 /nfs/dbraw/zinc/95/32/40/1291953240.db2.gz FNJSFGGUBQVVQR-UHFFFAOYSA-N -1 3 330.771 3.055 20 30 EGEDHM N#Cc1cccc(COc2cccc(C=Cc3nccc(=O)[n-]3)c2)c1 ZINC000131781107 1293700795 /nfs/dbraw/zinc/70/07/95/1293700795.db2.gz SSLCDNFXNSKANZ-BQYQJAHWSA-N -1 3 329.359 3.391 20 30 EGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC)cs2)cc1 ZINC000177599449 1294679916 /nfs/dbraw/zinc/67/99/16/1294679916.db2.gz CAVYYHGWJHEVGQ-CQSZACIVSA-N -1 3 328.393 3.280 20 30 EGEDHM Cc1cc(C(=O)N2CCCC2)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000255505748 1296539697 /nfs/dbraw/zinc/53/96/97/1296539697.db2.gz ATMARPNCTIABGV-UHFFFAOYSA-N -1 3 340.379 3.098 20 30 EGEDHM O=C1CCCCN1c1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255591432 1296551554 /nfs/dbraw/zinc/55/15/54/1296551554.db2.gz XRFLLGZSVSRUBL-UHFFFAOYSA-N -1 3 326.352 3.071 20 30 EGEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2SCCc3ccccc32)c1[O-] ZINC000749843685 1299286224 /nfs/dbraw/zinc/28/62/24/1299286224.db2.gz DPCIEYSVRGCYNY-IFQVXRHPSA-N -1 3 328.437 3.037 20 30 EGEDHM Cc1ncc(CO)c(C=NNc2cc(C(F)(F)F)ccc2F)c1[O-] ZINC000753948069 1300050636 /nfs/dbraw/zinc/05/06/36/1300050636.db2.gz 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ZINC000783678639 1305127272 /nfs/dbraw/zinc/12/72/72/1305127272.db2.gz BPCOVGNLURXTBB-GDNBJRDFSA-N -1 3 349.415 3.222 20 30 EGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cncc(CC)c1 ZINC000789402163 1306154509 /nfs/dbraw/zinc/15/45/09/1306154509.db2.gz BUDCSGFTXNJIMU-HNNXBMFYSA-N -1 3 337.379 3.004 20 30 EGEDHM Cc1cc(F)c(F)cc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000791410378 1308986626 /nfs/dbraw/zinc/98/66/26/1308986626.db2.gz SXDUZNGYXVEQMA-UHFFFAOYSA-N -1 3 346.333 3.401 20 30 EGEDHM COc1cc(/C=C\C(=O)c2cc(C)on2)cc(Br)c1[O-] ZINC000791433903 1308994161 /nfs/dbraw/zinc/99/41/61/1308994161.db2.gz UPNDQROCAJVIHD-ARJAWSKDSA-N -1 3 338.157 3.356 20 30 EGEDHM [O-]c1ccc(Cl)cc1/C=N\CCn1cc(Br)cn1 ZINC000794676060 1309570459 /nfs/dbraw/zinc/57/04/59/1309570459.db2.gz IOPQTSBUUIAXSW-UUASQNMZSA-N -1 3 328.597 3.124 20 30 EGEDHM COc1cc(C(=O)/C=C/c2cn(C(C)C)nc2C)c(OC)cc1[O-] ZINC000798370537 1310346641 /nfs/dbraw/zinc/34/66/41/1310346641.db2.gz PWMSXYLNRWTHAK-VOTSOKGWSA-N -1 3 330.384 3.391 20 30 EGEDHM Cc1noc(CCCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n1 ZINC000900096088 1317234363 /nfs/dbraw/zinc/23/43/63/1317234363.db2.gz QWPYQMXUOOEXJB-UHFFFAOYSA-N -1 3 344.198 3.426 20 30 EGEDHM Cc1nn(CC2CC2)c(C)c1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372359 1317410840 /nfs/dbraw/zinc/41/08/40/1317410840.db2.gz CRHGQENBRIINCT-UHFFFAOYSA-N -1 3 331.391 3.010 20 30 EGEDHM CCOCCn1cc(C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC000901370975 1317411206 /nfs/dbraw/zinc/41/12/06/1317411206.db2.gz JWKUOEZMZWTKHG-UHFFFAOYSA-N -1 3 339.395 3.104 20 30 EGEDHM C[C@H](NC(=O)C1CCCC1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371057 1317411298 /nfs/dbraw/zinc/41/12/98/1317411298.db2.gz QHBKIXKAHIOJJZ-AWEZNQCLSA-N -1 3 340.423 3.253 20 30 EGEDHM O=C(c1ccnn1CCc1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC000901372617 1317411361 /nfs/dbraw/zinc/41/13/61/1317411361.db2.gz JCJBBZWDQIAWCQ-UHFFFAOYSA-N -1 3 339.370 3.297 20 30 EGEDHM C[C@@]1(CS(=O)(=O)[N-]c2ccc(C#N)cc2F)CC1(Cl)Cl ZINC000903109038 1317654685 /nfs/dbraw/zinc/65/46/85/1317654685.db2.gz 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341.842 3.235 20 30 EGEDHM N#Cc1ccccc1O[C@H]1CCCN(Cc2ccccc2C(=O)[O-])C1 ZINC001140504215 1378075145 /nfs/dbraw/zinc/07/51/45/1378075145.db2.gz ZRZLASRJUVQDMV-KRWDZBQOSA-N -1 3 336.391 3.300 20 30 EGEDHM N#Cc1cc(NC(=O)c2cn3ccc(C(F)(F)F)cc3n2)ccc1[O-] ZINC001153294024 1380050166 /nfs/dbraw/zinc/05/01/66/1380050166.db2.gz VVJLMXRVJSQELO-UHFFFAOYSA-N -1 3 346.268 3.183 20 30 EGEDHM CNc1ccc(C#N)cc1NC(=O)c1c([O-])cc2ccccc2c1O ZINC001154028122 1380184728 /nfs/dbraw/zinc/18/47/28/1380184728.db2.gz RPFLTFOBZGWVEV-UHFFFAOYSA-N -1 3 333.347 3.417 20 30 EGEDHM COc1cccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001155909081 1380504566 /nfs/dbraw/zinc/50/45/66/1380504566.db2.gz HXSWNZHVLZKFHN-UHFFFAOYSA-N -1 3 327.262 3.237 20 30 EGEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@@H](C)c2cccc(N)c2)n1 ZINC001159635677 1381854648 /nfs/dbraw/zinc/85/46/48/1381854648.db2.gz FIFLOURQPPDLLT-TXQWPAICSA-N -1 3 337.836 3.415 20 30 EGEDHM [O-]N=C(Nc1ccc2nc[nH]c2n1)c1ccc(OC(F)(F)F)cc1 ZINC001163764920 1383119730 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EGEDHM C=CCC1(CNC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC001573329393 947417908 /nfs/dbraw/zinc/41/79/08/947417908.db2.gz IVPNZQQELLOEBT-UHFFFAOYSA-N -1 3 345.834 3.386 20 30 EGEDHM C=CCC1(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC001573329393 947417910 /nfs/dbraw/zinc/41/79/10/947417910.db2.gz IVPNZQQELLOEBT-UHFFFAOYSA-N -1 3 345.834 3.386 20 30 EGEDHM C=CCC[C@@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573334976 947467374 /nfs/dbraw/zinc/46/73/74/947467374.db2.gz SMJSBZZINPHAHT-MRXNPFEDSA-N -1 3 348.410 3.007 20 30 EGEDHM C=CCC[C@@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573334976 947467377 /nfs/dbraw/zinc/46/73/77/947467377.db2.gz SMJSBZZINPHAHT-MRXNPFEDSA-N -1 3 348.410 3.007 20 30 EGEDHM O=C(C=Cc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399658 948215737 /nfs/dbraw/zinc/21/57/37/948215737.db2.gz BNRCVBAGFHSWIS-SREVYHEPSA-N -1 3 330.269 3.180 20 30 EGEDHM O=C(C=Cc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399658 948215739 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CCO[C@@H]1C[C@@H](NCc2cccc(C(=O)[O-])c2C#N)C12CCCCC2 ZINC001596837171 985491029 /nfs/dbraw/zinc/49/10/29/985491029.db2.gz HRMBZSQHAVKCDK-QZTJIDSGSA-N -1 3 342.439 3.474 20 30 EGEDHM C[C@@H](NCc1cccc(F)c1C#N)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593305161 994759632 /nfs/dbraw/zinc/75/96/32/994759632.db2.gz XMDAZFGHDCDRHZ-CZUORRHYSA-N -1 3 326.371 3.119 20 30 EGEDHM Cc1csc(C2([N-]S(=O)(=O)c3cccc(C#N)c3)CCCC2)n1 ZINC000112707310 220381022 /nfs/dbraw/zinc/38/10/22/220381022.db2.gz CAJHJWSJRQZHRV-UHFFFAOYSA-N -1 3 347.465 3.071 20 30 EGEDHM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000351849494 144316270 /nfs/dbraw/zinc/31/62/70/144316270.db2.gz QKPPVEZFTVYJPZ-UHFFFAOYSA-N -1 3 336.800 3.159 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1Cl ZINC000105389818 162055890 /nfs/dbraw/zinc/05/58/90/162055890.db2.gz YAAFFPSYLLRLJI-UHFFFAOYSA-N -1 3 346.717 3.430 20 30 EGEDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000354711701 166015353 /nfs/dbraw/zinc/01/53/53/166015353.db2.gz 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268039596 /nfs/dbraw/zinc/03/95/96/268039596.db2.gz QHTQFRSGIOWYSL-UHFFFAOYSA-N -1 3 342.424 3.018 20 30 EGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC000443078071 268182507 /nfs/dbraw/zinc/18/25/07/268182507.db2.gz MLWPEAJFHQSEFN-ZDUSSCGKSA-N -1 3 346.839 3.220 20 30 EGEDHM N#Cc1ccc(N2CCN(Cc3cc([O-])cc(F)c3)CC2)c(Cl)c1 ZINC000446916352 268234346 /nfs/dbraw/zinc/23/43/46/268234346.db2.gz LLAKCYLUAOOQQM-UHFFFAOYSA-N -1 3 345.805 3.379 20 30 EGEDHM N#Cc1cccnc1N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000301194175 268287578 /nfs/dbraw/zinc/28/75/78/268287578.db2.gz JMAVKGWVEWTOIJ-INIZCTEOSA-N -1 3 342.830 3.389 20 30 EGEDHM CCCC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCC1 ZINC000158471786 307859679 /nfs/dbraw/zinc/85/96/79/307859679.db2.gz NIISBLUWJZCACT-GOSISDBHSA-N -1 3 343.471 3.271 20 30 EGEDHM CC(C)C(C)(C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000557812893 315535714 /nfs/dbraw/zinc/53/57/14/315535714.db2.gz KJQDGYPYNAPEFV-UHFFFAOYSA-N -1 3 345.262 3.034 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3s2)s1 ZINC000563825335 316076141 /nfs/dbraw/zinc/07/61/41/316076141.db2.gz RLULDKDSAPQIMQ-UHFFFAOYSA-N -1 3 348.474 3.355 20 30 EGEDHM N#C[C@H](NC(=O)c1cccc2nn[n-]c21)c1cccc(Cl)c1Cl ZINC000183591014 455309432 /nfs/dbraw/zinc/30/94/32/455309432.db2.gz XMHOKOOMUJOYSG-LBPRGKRZSA-N -1 3 346.177 3.259 20 30 EGEDHM N#C[C@H](NC(=O)c1cccc2[n-]nnc21)c1cccc(Cl)c1Cl ZINC000183591014 455309437 /nfs/dbraw/zinc/30/94/37/455309437.db2.gz XMHOKOOMUJOYSG-LBPRGKRZSA-N -1 3 346.177 3.259 20 30 EGEDHM N#C[C@H](NC(=O)c1cccc2n[n-]nc21)c1cccc(Cl)c1Cl ZINC000183591014 455309440 /nfs/dbraw/zinc/30/94/40/455309440.db2.gz XMHOKOOMUJOYSG-LBPRGKRZSA-N -1 3 346.177 3.259 20 30 EGEDHM CCc1cccc(C)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000007286559 453055974 /nfs/dbraw/zinc/05/59/74/453055974.db2.gz SSBFUNYPNJJBJL-UHFFFAOYSA-N -1 3 337.423 3.306 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1cc2ccccc2o1 ZINC000008058419 453156549 /nfs/dbraw/zinc/15/65/49/453156549.db2.gz HRAJUENETLVDOC-GFCCVEGCSA-N -1 3 326.377 3.344 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1F ZINC000020011589 453660993 /nfs/dbraw/zinc/66/09/93/453660993.db2.gz RSMHRRIDXZMLDU-UHFFFAOYSA-N -1 3 347.777 3.227 20 30 EGEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000029201348 453827195 /nfs/dbraw/zinc/82/71/95/453827195.db2.gz HXGVLBLSMUGTCL-UHFFFAOYSA-N -1 3 325.368 3.260 20 30 EGEDHM C=CCOc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1OC ZINC000029389463 453828758 /nfs/dbraw/zinc/82/87/58/453828758.db2.gz SNJGPMNEPQMTLQ-UHFFFAOYSA-N -1 3 342.277 3.033 20 30 EGEDHM C=CCOc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1OC ZINC000029389463 453828759 /nfs/dbraw/zinc/82/87/59/453828759.db2.gz SNJGPMNEPQMTLQ-UHFFFAOYSA-N -1 3 342.277 3.033 20 30 EGEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000055320908 453976168 /nfs/dbraw/zinc/97/61/68/453976168.db2.gz PJKKAAGMNIZFCW-UHFFFAOYSA-N -1 3 342.370 3.318 20 30 EGEDHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000068220009 454009034 /nfs/dbraw/zinc/00/90/34/454009034.db2.gz LGWJIQMUUQUMGY-SECBINFHSA-N -1 3 345.309 3.200 20 30 EGEDHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000068220009 454009037 /nfs/dbraw/zinc/00/90/37/454009037.db2.gz LGWJIQMUUQUMGY-SECBINFHSA-N -1 3 345.309 3.200 20 30 EGEDHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000068220009 454009041 /nfs/dbraw/zinc/00/90/41/454009041.db2.gz LGWJIQMUUQUMGY-SECBINFHSA-N -1 3 345.309 3.200 20 30 EGEDHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cccc(OCCCC#N)c2)on1 ZINC000056199651 454044140 /nfs/dbraw/zinc/04/41/40/454044140.db2.gz BHAAHAGBUVIKOC-CYBMUJFWSA-N -1 3 328.372 3.105 20 30 EGEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190997899 455422771 /nfs/dbraw/zinc/42/27/71/455422771.db2.gz IDPZSHHVCVVUFD-ZDUSSCGKSA-N -1 3 342.848 3.099 20 30 EGEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190997914 455422901 /nfs/dbraw/zinc/42/29/01/455422901.db2.gz IDPZSHHVCVVUFD-CYBMUJFWSA-N -1 3 342.848 3.099 20 30 EGEDHM CCc1cccc(C(=O)N(CCOC)Cc2ccc(C#N)cc2)c1[O-] ZINC000093931795 454180670 /nfs/dbraw/zinc/18/06/70/454180670.db2.gz RWOCGVQTFBYNKF-UHFFFAOYSA-N -1 3 338.407 3.115 20 30 EGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000182007003 455415351 /nfs/dbraw/zinc/41/53/51/455415351.db2.gz XQDXAWRSVKOWAH-BXUZGUMPSA-N -1 3 346.374 3.456 20 30 EGEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(C)c2[O-])cc1 ZINC000078671644 454295460 /nfs/dbraw/zinc/29/54/60/454295460.db2.gz RFFAZBYUDRMLDS-UHFFFAOYSA-N -1 3 325.368 3.260 20 30 EGEDHM CCCOc1ccc(/C=N/[C@H]2CCN(c3ccccn3)C2)c([O-])c1 ZINC000133114551 454394289 /nfs/dbraw/zinc/39/42/89/454394289.db2.gz GSIZYXRLVWHQBL-REIAIGDLSA-N -1 3 325.412 3.274 20 30 EGEDHM [O-]c1c(O)ccc(/C=N/[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1O ZINC000133126173 454394924 /nfs/dbraw/zinc/39/49/24/454394924.db2.gz NBVKCUZJFKSBTM-GPARPXOISA-N -1 3 327.380 3.390 20 30 EGEDHM N#CC(=C([O-])c1cccc(-n2cccn2)n1)c1ccc2ccccc2n1 ZINC000606145674 460636614 /nfs/dbraw/zinc/63/66/14/460636614.db2.gz JALLEFMWBRLROR-OAHLLOKOSA-N -1 3 339.358 3.306 20 30 EGEDHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)C2 ZINC000079700679 454466173 /nfs/dbraw/zinc/46/61/73/454466173.db2.gz VMTJMRDAKPQKOL-SNVBAGLBSA-N -1 3 326.278 3.032 20 30 EGEDHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)C2 ZINC000079700679 454466177 /nfs/dbraw/zinc/46/61/77/454466177.db2.gz VMTJMRDAKPQKOL-SNVBAGLBSA-N -1 3 326.278 3.032 20 30 EGEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2csc([C@H]3CCCO3)n2)n1 ZINC000121906772 454492153 /nfs/dbraw/zinc/49/21/53/454492153.db2.gz DXGSDXOUJXSBLH-GFCCVEGCSA-N -1 3 345.428 3.070 20 30 EGEDHM CSc1cc(C([O-])=C(C#N)c2ccccn2)ccc1NC(C)=O ZINC000049458822 454549540 /nfs/dbraw/zinc/54/95/40/454549540.db2.gz FNTRGUOQYASTEQ-CYBMUJFWSA-N -1 3 325.393 3.252 20 30 EGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccc(F)cc1F ZINC000049457378 454549834 /nfs/dbraw/zinc/54/98/34/454549834.db2.gz GWPPVMZRMSJQAH-CYBMUJFWSA-N -1 3 338.317 3.344 20 30 EGEDHM N#CC(=C([O-])c1ccc(Cl)c(F)c1)c1nnc2n1CCCCC2 ZINC000161985158 454743403 /nfs/dbraw/zinc/74/34/03/454743403.db2.gz ONIVDCOWLJJVDA-LLVKDONJSA-N -1 3 332.766 3.287 20 30 EGEDHM COc1cc(C([O-])=C(C#N)c2ccccn2)sc1Br ZINC000136533575 454746619 /nfs/dbraw/zinc/74/66/19/454746619.db2.gz KKCOXRLJRBFTJN-MRVPVSSYSA-N -1 3 337.198 3.404 20 30 EGEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000108324771 454792662 /nfs/dbraw/zinc/79/26/62/454792662.db2.gz QCHDUSNEDMKWQP-JTQLQIEISA-N -1 3 345.449 3.351 20 30 EGEDHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCCCC#N)s2)cs1 ZINC000178332367 454949538 /nfs/dbraw/zinc/94/95/38/454949538.db2.gz FSDWTULLDLOTKG-UHFFFAOYSA-N -1 3 341.483 3.152 20 30 EGEDHM CCOC(=O)c1ccc(NC(=O)CCc2ccc(C#N)cc2)c([O-])c1 ZINC000129603687 455118987 /nfs/dbraw/zinc/11/89/87/455118987.db2.gz SDAGDEUKSWDDOZ-UHFFFAOYSA-N -1 3 338.363 3.012 20 30 EGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)c1nc(C)cs1 ZINC000277987454 455727499 /nfs/dbraw/zinc/72/74/99/455727499.db2.gz MPPDVJRKYVNRED-CQSZACIVSA-N -1 3 335.454 3.061 20 30 EGEDHM C[C@@H]1CCN(C(=O)Cc2cccc(OCC#N)c2)c2c([O-])cccc21 ZINC000186309409 455739282 /nfs/dbraw/zinc/73/92/82/455739282.db2.gz WDVIPIBDZWQHSK-CQSZACIVSA-N -1 3 336.391 3.377 20 30 EGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(F)cc2nccnc21 ZINC000193580732 455765312 /nfs/dbraw/zinc/76/53/12/455765312.db2.gz VTMUPQCZABHDEJ-CYBMUJFWSA-N -1 3 345.337 3.146 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000294605208 455821396 /nfs/dbraw/zinc/82/13/96/455821396.db2.gz GJTNVQPSCDNERQ-IRXDYDNUSA-N -1 3 341.455 3.245 20 30 EGEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000278547174 455839800 /nfs/dbraw/zinc/83/98/00/455839800.db2.gz YPELHIPHEOKJAW-CQSZACIVSA-N -1 3 332.828 3.227 20 30 EGEDHM CC(C)=CCC[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000295637834 455855604 /nfs/dbraw/zinc/85/56/04/455855604.db2.gz OODMTXZKAOEWFQ-ZDUSSCGKSA-N -1 3 329.444 3.459 20 30 EGEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000194689931 455873928 /nfs/dbraw/zinc/87/39/28/455873928.db2.gz IBYPHGWNMAEGJA-XHDPSFHLSA-N -1 3 344.839 3.371 20 30 EGEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(C)c1 ZINC000194727968 455877390 /nfs/dbraw/zinc/87/73/90/455877390.db2.gz WHROJRLWWBGWBL-UHFFFAOYSA-N -1 3 330.409 3.261 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(C1)CCCCC2 ZINC000272750659 456060760 /nfs/dbraw/zinc/06/07/60/456060760.db2.gz ODDHADWJTQAISJ-UHFFFAOYSA-N -1 3 327.428 3.001 20 30 EGEDHM N#CC1(CCCSc2n[n-]c(-c3ccccn3)n2)CCOCC1 ZINC000281073090 456126749 /nfs/dbraw/zinc/12/67/49/456126749.db2.gz VORNTVKPWKYDPQ-UHFFFAOYSA-N -1 3 329.429 3.059 20 30 EGEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000273167702 456198038 /nfs/dbraw/zinc/19/80/38/456198038.db2.gz DANBQHRCKXMKSZ-LLCZMPHRSA-N -1 3 331.343 3.282 20 30 EGEDHM C=CC[C@H](CC)NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000281348088 456209199 /nfs/dbraw/zinc/20/91/99/456209199.db2.gz MKMFFHIJJOVQOI-HNNXBMFYSA-N -1 3 345.443 3.107 20 30 EGEDHM COc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccc1Cl ZINC000340244376 456338076 /nfs/dbraw/zinc/33/80/76/456338076.db2.gz MLCZNQQTYGODTH-LLVKDONJSA-N -1 3 340.770 3.418 20 30 EGEDHM COc1cc([C@H](C)/N=C/c2ccc(O)c([O-])c2O)cc(OC)c1OC ZINC000298661341 456511039 /nfs/dbraw/zinc/51/10/39/456511039.db2.gz RLJUUDWADWCZOL-XPAGJJBOSA-N -1 3 347.367 3.009 20 30 EGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000353159292 456529650 /nfs/dbraw/zinc/52/96/50/456529650.db2.gz YLBCMGBSDRWQTB-JTQLQIEISA-N -1 3 348.827 3.071 20 30 EGEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000348252908 456572751 /nfs/dbraw/zinc/57/27/51/456572751.db2.gz BZMDGYPNTYHCPW-UHFFFAOYSA-N -1 3 339.363 3.008 20 30 EGEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1cccc(F)c1F ZINC000348257821 456576458 /nfs/dbraw/zinc/57/64/58/456576458.db2.gz SNJWWFCNTWJKSE-UHFFFAOYSA-N -1 3 339.363 3.008 20 30 EGEDHM C=CCCO[C@@H](C)C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 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Cc1nc(S(=O)(=O)Cc2ccccc2C#N)[n-]c1-c1ccccc1 ZINC000339107888 456943867 /nfs/dbraw/zinc/94/38/67/456943867.db2.gz KNEALAXDBVUWQL-UHFFFAOYSA-N -1 3 337.404 3.231 20 30 EGEDHM Cc1[n-]c(S(=O)(=O)Cc2ccccc2C#N)nc1-c1ccccc1 ZINC000339107888 456943872 /nfs/dbraw/zinc/94/38/72/456943872.db2.gz KNEALAXDBVUWQL-UHFFFAOYSA-N -1 3 337.404 3.231 20 30 EGEDHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000341884248 456985672 /nfs/dbraw/zinc/98/56/72/456985672.db2.gz GOOFTSNGPITNCO-QLJPJBMISA-N -1 3 348.811 3.012 20 30 EGEDHM N#C[C@H](NC(=O)c1csc(=O)[n-]1)c1c(Cl)cccc1Cl ZINC000349717027 457024465 /nfs/dbraw/zinc/02/44/65/457024465.db2.gz VFJMPMOTNVJMAF-QMMMGPOBSA-N -1 3 328.180 3.150 20 30 EGEDHM N#Cc1cc(C(F)(F)F)ccc1NCc1nnc(C(F)(F)F)[n-]1 ZINC000359682657 457112622 /nfs/dbraw/zinc/11/26/22/457112622.db2.gz HJSSYSYJAOLBCO-UHFFFAOYSA-N -1 3 335.211 3.326 20 30 EGEDHM N#Cc1cc(C(F)(F)F)ccc1NCc1n[n-]c(C(F)(F)F)n1 ZINC000359682657 457112628 /nfs/dbraw/zinc/11/26/28/457112628.db2.gz HJSSYSYJAOLBCO-UHFFFAOYSA-N -1 3 335.211 3.326 20 30 EGEDHM N#Cc1cc(C(F)(F)F)ccc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000359682657 457112635 /nfs/dbraw/zinc/11/26/35/457112635.db2.gz HJSSYSYJAOLBCO-UHFFFAOYSA-N -1 3 335.211 3.326 20 30 EGEDHM CC(C)C[C@@H]1CCCCN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331136898 457137015 /nfs/dbraw/zinc/13/70/15/457137015.db2.gz DCVGDLSAELKCLG-JTQLQIEISA-N -1 3 333.358 3.138 20 30 EGEDHM CC(C)C[C@@H]1CCCCN1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331136898 457137021 /nfs/dbraw/zinc/13/70/21/457137021.db2.gz DCVGDLSAELKCLG-JTQLQIEISA-N -1 3 333.358 3.138 20 30 EGEDHM CC(C)C[C@@H]1CCCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331136898 457137027 /nfs/dbraw/zinc/13/70/27/457137027.db2.gz DCVGDLSAELKCLG-JTQLQIEISA-N -1 3 333.358 3.138 20 30 EGEDHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2C(C)(C)C)c([O-])c1 ZINC000331253246 457154480 /nfs/dbraw/zinc/15/44/80/457154480.db2.gz ZYTXCNOEWHUYSU-INIZCTEOSA-N -1 3 332.444 3.432 20 30 EGEDHM C=C(C)[C@H](CC(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1)OCC 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COC(=O)c1sc([N-]C(=O)c2c(F)cc(C#N)cc2F)cc1C ZINC000445744131 458084140 /nfs/dbraw/zinc/08/41/40/458084140.db2.gz ZIUSDSZFTRAVQS-UHFFFAOYSA-N -1 3 336.319 3.245 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc2ccccc21 ZINC000428238980 458105305 /nfs/dbraw/zinc/10/53/05/458105305.db2.gz OWJNCSYMADBTOW-CYBMUJFWSA-N -1 3 337.404 3.146 20 30 EGEDHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000358806454 458229663 /nfs/dbraw/zinc/22/96/63/458229663.db2.gz WVPQUDNUKCKCMH-UHFFFAOYSA-N -1 3 346.799 3.197 20 30 EGEDHM CC1(C)Cc2ccc(C(=O)N[C@H](C#N)c3ccccc3F)c([O-])c2O1 ZINC000436567538 458333954 /nfs/dbraw/zinc/33/39/54/458333954.db2.gz OLUDIQBYCXKRBX-OAHLLOKOSA-N -1 3 340.354 3.239 20 30 EGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459360531 458344093 /nfs/dbraw/zinc/34/40/93/458344093.db2.gz OQCNXEQJRHJQEC-QZTJIDSGSA-N -1 3 334.423 3.331 20 30 EGEDHM N#Cc1csc(CN[C@@H](CSCCc2ccccc2)C(=O)[O-])c1 ZINC000417558449 458365646 /nfs/dbraw/zinc/36/56/46/458365646.db2.gz FNNDKFJAGQFXJK-INIZCTEOSA-N -1 3 346.477 3.138 20 30 EGEDHM CC1(C)C[C@]1(C#N)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436808189 458384750 /nfs/dbraw/zinc/38/47/50/458384750.db2.gz NOAPZITXVHWMIW-HXUWFJFHSA-N -1 3 336.391 3.393 20 30 EGEDHM C=C(C)CN1CCC(N=c2[n-]nc(-c3ccc(OC)cc3)s2)CC1 ZINC000420595418 458398078 /nfs/dbraw/zinc/39/80/78/458398078.db2.gz FWJYCFVMSIWIES-UHFFFAOYSA-N -1 3 344.484 3.088 20 30 EGEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OCCCC)cc1[O-] ZINC000437481168 458456802 /nfs/dbraw/zinc/45/68/02/458456802.db2.gz ZGYGMNJBLOIECI-KSSFIOAISA-N -1 3 333.428 3.282 20 30 EGEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(NC(N)=O)cc2)s1 ZINC000430622036 458473057 /nfs/dbraw/zinc/47/30/57/458473057.db2.gz FCLLNMGIOHNMSE-LBPRGKRZSA-N -1 3 342.424 3.421 20 30 EGEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000437655006 458479173 /nfs/dbraw/zinc/47/91/73/458479173.db2.gz YPBLKHCJCGEUKZ-SNVBAGLBSA-N -1 3 329.381 3.025 20 30 EGEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000451895391 458490274 /nfs/dbraw/zinc/49/02/74/458490274.db2.gz DTAWSKXRMWRIQN-NEPJUHHUSA-N -1 3 336.240 3.005 20 30 EGEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000451906127 458490741 /nfs/dbraw/zinc/49/07/41/458490741.db2.gz DZWXYNBVNNBLOY-MNOVXSKESA-N -1 3 336.240 3.005 20 30 EGEDHM C=CCC1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCC1 ZINC000456490779 458694110 /nfs/dbraw/zinc/69/41/10/458694110.db2.gz XYLCQZLTMQGBNP-UHFFFAOYSA-N -1 3 341.455 3.461 20 30 EGEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000472691217 458806311 /nfs/dbraw/zinc/80/63/11/458806311.db2.gz OBCFZRPXAHAGSY-UHFFFAOYSA-N -1 3 332.347 3.212 20 30 EGEDHM CCCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000530844983 458834709 /nfs/dbraw/zinc/83/47/09/458834709.db2.gz JDGHUUHOGAIMIY-UHFFFAOYSA-N -1 3 330.409 3.456 20 30 EGEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442237414 458998652 /nfs/dbraw/zinc/99/86/52/458998652.db2.gz OGMBPVGQSPCPFD-UHFFFAOYSA-N -1 3 342.754 3.485 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1c(F)cccc1F ZINC000443020145 459075081 /nfs/dbraw/zinc/07/50/81/459075081.db2.gz GQOYWLXJMJEDAX-VIFPVBQESA-N -1 3 340.326 3.015 20 30 EGEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496173982 459098744 /nfs/dbraw/zinc/09/87/44/459098744.db2.gz VTGBJQNDZWEFQL-HUUCEWRRSA-N -1 3 340.464 3.284 20 30 EGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)Cc2cc(F)ccc2Cl)C1 ZINC000594724868 459141695 /nfs/dbraw/zinc/14/16/95/459141695.db2.gz ZQPQITYTKJVRDD-IAQYHMDHSA-N -1 3 344.839 3.371 20 30 EGEDHM N#CC1(C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)CCCCC1 ZINC000590557022 459148228 /nfs/dbraw/zinc/14/82/28/459148228.db2.gz WNRAGOLOHJMOOD-UHFFFAOYSA-N -1 3 346.394 3.432 20 30 EGEDHM N#CC1(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)CCCCC1 ZINC000590557022 459148232 /nfs/dbraw/zinc/14/82/32/459148232.db2.gz WNRAGOLOHJMOOD-UHFFFAOYSA-N -1 3 346.394 3.432 20 30 EGEDHM N#CC1(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)CCCCC1 ZINC000590557022 459148236 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CCOc1ccc(C#N)cc1NC(=O)c1cc(C)cc(OC)c1[O-] ZINC000179468219 266336405 /nfs/dbraw/zinc/33/64/05/266336405.db2.gz TWWHSUIJDLXTNJ-UHFFFAOYSA-N -1 3 326.352 3.232 20 30 EGEDHM COc1ccc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)C[C@H](C)C3)nn1 ZINC000411013409 266871286 /nfs/dbraw/zinc/87/12/86/266871286.db2.gz OHTHKSXWCNOZTC-VHSXEESVSA-N -1 3 342.424 3.356 20 30 EGEDHM N#Cc1cc(NC([O-])=NOC2CCCC2)ccc1OC(F)(F)F ZINC000283081427 268010737 /nfs/dbraw/zinc/01/07/37/268010737.db2.gz UQMRKATWFWCRJJ-UHFFFAOYSA-N -1 3 329.278 3.453 20 30 EGEDHM N#Cc1cc(NC(=O)[N-]OC2CCCC2)ccc1OC(F)(F)F ZINC000283081427 268010739 /nfs/dbraw/zinc/01/07/39/268010739.db2.gz UQMRKATWFWCRJJ-UHFFFAOYSA-N -1 3 329.278 3.453 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C3CCC3)cc2)s1 ZINC000435442050 268256806 /nfs/dbraw/zinc/25/68/06/268256806.db2.gz JELPWGKMEARMGF-UHFFFAOYSA-N -1 3 332.450 3.366 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000435438341 268259758 /nfs/dbraw/zinc/25/97/58/268259758.db2.gz 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EGEDHM C[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)NC(=O)C1CCCCC1 ZINC000067149611 453907362 /nfs/dbraw/zinc/90/73/62/453907362.db2.gz FVZWCRLNTXRLMY-LLVKDONJSA-N -1 3 345.403 3.128 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)n1-c1ccccn1 ZINC000089599355 454165873 /nfs/dbraw/zinc/16/58/73/454165873.db2.gz KETHMSVBMDAMBA-KRWDZBQOSA-N -1 3 345.406 3.386 20 30 EGEDHM COc1ccc(OC)c(C=CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000078379922 454244423 /nfs/dbraw/zinc/24/44/23/454244423.db2.gz PKXBFBVCMKJSSO-ZZXKWVIFSA-N -1 3 342.277 3.142 20 30 EGEDHM COc1ccc(OC)c(C=CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000078379922 454244425 /nfs/dbraw/zinc/24/44/25/454244425.db2.gz PKXBFBVCMKJSSO-ZZXKWVIFSA-N -1 3 342.277 3.142 20 30 EGEDHM COc1ccccc1-c1nc(NC(=O)CSCC(F)(F)F)n[n-]1 ZINC000090394634 454299285 /nfs/dbraw/zinc/29/92/85/454299285.db2.gz MJWPKWONCWWILS-UHFFFAOYSA-N -1 3 346.334 3.364 20 30 EGEDHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000091017054 454363007 /nfs/dbraw/zinc/36/30/07/454363007.db2.gz 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C[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(C(C)(C)C)cs1 ZINC000106893312 454728215 /nfs/dbraw/zinc/72/82/15/454728215.db2.gz ORVQPABCHBSIPF-LLVKDONJSA-N -1 3 349.481 3.352 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(C)C)CC(C)(C)C ZINC000125178191 454801696 /nfs/dbraw/zinc/80/16/96/454801696.db2.gz JRFQOBWYYFJNCL-UHFFFAOYSA-N -1 3 345.487 3.327 20 30 EGEDHM N#C[C@@H]([N-]C(=O)c1cc(F)c(F)c(F)c1F)c1ccccc1F ZINC000108797632 454811799 /nfs/dbraw/zinc/81/17/99/454811799.db2.gz UFRJQKDFIJZNSB-LLVKDONJSA-N -1 3 326.224 3.377 20 30 EGEDHM C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)Cc1ccccc1[O-] ZINC000111235469 454859498 /nfs/dbraw/zinc/85/94/98/454859498.db2.gz JZBIRCKUPRKSSN-NGEICVOHSA-N -1 3 343.471 3.143 20 30 EGEDHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc3c(cc2C#N)CCCC3)n1 ZINC000151357068 454973702 /nfs/dbraw/zinc/97/37/02/454973702.db2.gz BMBDAUREQHGNIO-NSHDSACASA-N -1 3 326.425 3.489 20 30 EGEDHM N#C[C@H](NC(=O)/C=C/c1cncc([O-])c1)c1cccc(Cl)c1Cl ZINC000179488287 455051662 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CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160242148 455440507 /nfs/dbraw/zinc/44/05/07/455440507.db2.gz CFCCPXGOMPHDAC-SNVBAGLBSA-N -1 3 332.878 3.022 20 30 EGEDHM N#Cc1csc(C[N-]c2nnc([C@@H]3COc4ccccc4O3)o2)c1 ZINC000185896646 455646462 /nfs/dbraw/zinc/64/64/62/455646462.db2.gz XCJYEEHYFIRWCL-AWEZNQCLSA-N -1 3 340.364 3.127 20 30 EGEDHM CC(C)(C)OCc1cc(C(=O)[N-]c2nn(C(C)(C)C)cc2C#N)no1 ZINC000186203948 455715249 /nfs/dbraw/zinc/71/52/49/455715249.db2.gz OWXZNODKMPYNGX-UHFFFAOYSA-N -1 3 345.403 3.065 20 30 EGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1c[nH]nc1-c1ccccc1 ZINC000193264686 455750036 /nfs/dbraw/zinc/75/00/36/455750036.db2.gz PBUASYNJMUYTFV-AWEZNQCLSA-N -1 3 341.374 3.453 20 30 EGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)C1 ZINC000186579760 455798027 /nfs/dbraw/zinc/79/80/27/455798027.db2.gz JDKQCMVBEVOQRA-KDOFPFPSSA-N -1 3 346.452 3.202 20 30 EGEDHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1 ZINC000278391318 455835146 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CCOc1ccc(/C=N\[C@@H]2CCN(Cc3ccccc3)C2=O)c([O-])c1 ZINC000743538525 576811433 /nfs/dbraw/zinc/81/14/33/576811433.db2.gz MNJDYOKPYBNVRJ-LZAZYHHXSA-N -1 3 338.407 3.011 20 30 EGEDHM CC(=CC([O-])=C(C#N)C(=O)Nc1ccc2c(c1)OCCO2)C(C)(C)C ZINC000744032641 576819268 /nfs/dbraw/zinc/81/92/68/576819268.db2.gz UYGZZYFUPJFEGW-TZIYXEQSSA-N -1 3 342.395 3.098 20 30 EGEDHM N#Cc1ccc(Oc2ccc(-c3nnn[n-]3)cc2Cl)c([N+](=O)[O-])c1 ZINC000822833381 599316822 /nfs/dbraw/zinc/31/68/22/599316822.db2.gz PHPRENUGFYTEBG-UHFFFAOYSA-N -1 3 342.702 3.092 20 30 EGEDHM N#Cc1ccc(Oc2ccc(-c3nn[n-]n3)cc2Cl)c([N+](=O)[O-])c1 ZINC000822833381 599316824 /nfs/dbraw/zinc/31/68/24/599316824.db2.gz PHPRENUGFYTEBG-UHFFFAOYSA-N -1 3 342.702 3.092 20 30 EGEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1nccc2sccc21 ZINC000822741494 607465500 /nfs/dbraw/zinc/46/55/00/607465500.db2.gz XUDBTXPPJMKIQF-UHFFFAOYSA-N -1 3 339.359 3.062 20 30 EGEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(c3nccs3)CC2)c1 ZINC000833073965 601312901 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N#Cc1cccc(OCCCSc2ccccc2-c2nnn[n-]2)c1 ZINC000822837629 606869234 /nfs/dbraw/zinc/86/92/34/606869234.db2.gz PTPCBXBMCLXKDL-UHFFFAOYSA-N -1 3 337.408 3.300 20 30 EGEDHM N#Cc1cccc(OCCCSc2ccccc2-c2nn[n-]n2)c1 ZINC000822837629 606869235 /nfs/dbraw/zinc/86/92/35/606869235.db2.gz PTPCBXBMCLXKDL-UHFFFAOYSA-N -1 3 337.408 3.300 20 30 EGEDHM C[C@H](NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)c1ccccc1 ZINC000820438027 607148413 /nfs/dbraw/zinc/14/84/13/607148413.db2.gz GLLJKBHXEBMDBS-LBPRGKRZSA-N -1 3 331.383 3.033 20 30 EGEDHM C[C@H](NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)c1ccccc1 ZINC000820438027 607148415 /nfs/dbraw/zinc/14/84/15/607148415.db2.gz GLLJKBHXEBMDBS-LBPRGKRZSA-N -1 3 331.383 3.033 20 30 EGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)C(CC)CC ZINC000823910029 608059361 /nfs/dbraw/zinc/05/93/61/608059361.db2.gz WLODWAWQOJJOPC-AWEZNQCLSA-N -1 3 341.459 3.454 20 30 EGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)C(CC)CC ZINC000823910029 608059362 /nfs/dbraw/zinc/05/93/62/608059362.db2.gz WLODWAWQOJJOPC-AWEZNQCLSA-N -1 3 341.459 3.454 20 30 EGEDHM C[C@H](Nc1nc2c(cc1C#N)CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824663522 608273580 /nfs/dbraw/zinc/27/35/80/608273580.db2.gz ZZTWGZRGPZLRST-LBPRGKRZSA-N -1 3 345.410 3.185 20 30 EGEDHM C[C@H](Nc1nc2c(cc1C#N)CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824663522 608273582 /nfs/dbraw/zinc/27/35/82/608273582.db2.gz ZZTWGZRGPZLRST-LBPRGKRZSA-N -1 3 345.410 3.185 20 30 EGEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cc(F)cc(F)c1 ZINC000823953584 608535100 /nfs/dbraw/zinc/53/51/00/608535100.db2.gz HYZAPWRFLDDNAG-UHFFFAOYSA-N -1 3 349.732 3.029 20 30 EGEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cc(F)cc(F)c1 ZINC000823953584 608535101 /nfs/dbraw/zinc/53/51/01/608535101.db2.gz HYZAPWRFLDDNAG-UHFFFAOYSA-N -1 3 349.732 3.029 20 30 EGEDHM N#Cc1cccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)c1F ZINC000826386933 609477040 /nfs/dbraw/zinc/47/70/40/609477040.db2.gz YTRSQYJLQXCKQL-UHFFFAOYSA-N -1 3 328.738 3.143 20 30 EGEDHM N#Cc1cccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)c1F ZINC000826386933 609477043 /nfs/dbraw/zinc/47/70/43/609477043.db2.gz YTRSQYJLQXCKQL-UHFFFAOYSA-N -1 3 328.738 3.143 20 30 EGEDHM CC(=NN[C@H]1CCCC1(C)C)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000782286319 1304947766 /nfs/dbraw/zinc/94/77/66/1304947766.db2.gz IQFQVDFONOEGEH-IBGZPJMESA-N -1 3 345.487 3.117 20 30 EGEDHM C[C@](O)(C/N=C/c1cc(Br)ccc1[O-])c1ccccc1 ZINC000074374456 1292346755 /nfs/dbraw/zinc/34/67/55/1292346755.db2.gz ZIKOCGGBHNKYSF-HKJBKDEOSA-N -1 3 334.213 3.481 20 30 EGEDHM COc1cc(C(=O)/C=C/c2csc([N+](=O)[O-])c2)c(OC)cc1[O-] ZINC000122530156 1293416959 /nfs/dbraw/zinc/41/69/59/1293416959.db2.gz ZFJVZZPOVXQKHV-ONEGZZNKSA-N -1 3 335.337 3.275 20 30 EGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccs2)cc1Cl ZINC000130279885 1293650356 /nfs/dbraw/zinc/65/03/56/1293650356.db2.gz UVVCNZZDBYFNKD-JTQLQIEISA-N -1 3 334.784 3.371 20 30 EGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000130441327 1293656495 /nfs/dbraw/zinc/65/64/95/1293656495.db2.gz WRCKMZIBAOLVHK-NOZJJQNGSA-N -1 3 348.255 3.139 20 30 EGEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000155284220 1294091542 /nfs/dbraw/zinc/09/15/42/1294091542.db2.gz IDGCKUIGFBCAND-SFHVURJKSA-N -1 3 341.842 3.428 20 30 EGEDHM O=C(C/N=C/c1cc(Br)ccc1[O-])OC1CCCCC1 ZINC000175066663 1294537745 /nfs/dbraw/zinc/53/77/45/1294537745.db2.gz AXNIXUCBJCYUGZ-RQZCQDPDSA-N -1 3 340.217 3.450 20 30 EGEDHM COc1cc(C(=O)/C=C\c2cccc3c2OCCCO3)ccc1[O-] ZINC000221779262 1296128546 /nfs/dbraw/zinc/12/85/46/1296128546.db2.gz RRAJTKIOPPWBKX-VURMDHGXSA-N -1 3 326.348 3.458 20 30 EGEDHM Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1C(=O)NC(C)C ZINC000254976655 1296485050 /nfs/dbraw/zinc/48/50/50/1296485050.db2.gz JLDITSHRFHTPIO-UHFFFAOYSA-N -1 3 328.368 3.001 20 30 EGEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1scnc1C1CCCC1 ZINC000330146279 1297265497 /nfs/dbraw/zinc/26/54/97/1297265497.db2.gz HWWGJHZIYQMFBA-UHFFFAOYSA-N -1 3 345.350 3.442 20 30 EGEDHM Cc1ncc(CO)c(/C=N/C[C@H]2SCCc3ccccc32)c1[O-] ZINC000749843682 1299285390 /nfs/dbraw/zinc/28/53/90/1299285390.db2.gz DPCIEYSVRGCYNY-AHUIGUKZSA-N -1 3 328.437 3.037 20 30 EGEDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(C#N)ccc2F)c1 ZINC000756731631 1300555428 /nfs/dbraw/zinc/55/54/28/1300555428.db2.gz HMCMXHAHJALFPW-LLVKDONJSA-N -1 3 328.343 3.040 20 30 EGEDHM COc1ccccc1N1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1=O ZINC000756773545 1300563923 /nfs/dbraw/zinc/56/39/23/1300563923.db2.gz AJIXOCDXWGWILR-GNKPEBMXSA-N -1 3 344.798 3.279 20 30 EGEDHM CC#CCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000760273779 1301243315 /nfs/dbraw/zinc/24/33/15/1301243315.db2.gz MGVICGSWLSKKIU-UHFFFAOYSA-N -1 3 333.185 3.409 20 30 EGEDHM N#CC(=C([O-])c1ccc(C2SCCS2)cc1)c1ccncn1 ZINC000760358272 1301261478 /nfs/dbraw/zinc/26/14/78/1301261478.db2.gz OROFPHJPNXAIIP-ZDUSSCGKSA-N -1 3 327.434 3.445 20 30 EGEDHM Cc1ncc(CO)c(/C=N\CC2(c3ccc(F)cc3F)CC2)c1[O-] ZINC000761180157 1301415381 /nfs/dbraw/zinc/41/53/81/1301415381.db2.gz INZOKXHFLCSRAN-WNFQYIGGSA-N -1 3 332.350 3.017 20 30 EGEDHM O=C1CN(N=Cc2c(Cl)cccc2Oc2ccccc2)C(=O)[N-]1 ZINC000769569892 1303142438 /nfs/dbraw/zinc/14/24/38/1303142438.db2.gz LSDXVXINKYVEPE-UHFFFAOYSA-N -1 3 329.743 3.018 20 30 EGEDHM COc1ccc(C#N)cc1COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000772261069 1303510133 /nfs/dbraw/zinc/51/01/33/1303510133.db2.gz DGDKWNHEUHZAEY-UHFFFAOYSA-N -1 3 337.335 3.215 20 30 EGEDHM COc1ccc(C#N)cc1COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000772261069 1303510137 /nfs/dbraw/zinc/51/01/37/1303510137.db2.gz DGDKWNHEUHZAEY-UHFFFAOYSA-N -1 3 337.335 3.215 20 30 EGEDHM [O-]c1c(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc(Cl)c2ccccc12 ZINC000774584723 1303831683 /nfs/dbraw/zinc/83/16/83/1303831683.db2.gz APHIAHAAIICHOX-HZPDHXFCSA-N -1 3 342.830 3.393 20 30 EGEDHM CC(C)(C)c1ccc(C(F)(F)C(=O)[N-]C2(C#N)CCOCC2)cc1 ZINC000889657100 1304552313 /nfs/dbraw/zinc/55/23/13/1304552313.db2.gz QVDSFHNCFBVAOM-UHFFFAOYSA-N -1 3 336.382 3.265 20 30 EGEDHM CC(CCc1n[nH]c2ccccc12)=NNc1cnnc([O-])c1Cl ZINC000782225390 1304935817 /nfs/dbraw/zinc/93/58/17/1304935817.db2.gz MZPZMPZKLBYHHN-UHFFFAOYSA-N -1 3 330.779 3.133 20 30 EGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@@H](C(F)(F)F)C1 ZINC000783513187 1305101053 /nfs/dbraw/zinc/10/10/53/1305101053.db2.gz NKFBCTUHFOWTGN-GFCCVEGCSA-N -1 3 334.363 3.215 20 30 EGEDHM C#CCOc1ccccc1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000786985309 1305672853 /nfs/dbraw/zinc/67/28/53/1305672853.db2.gz SEXYQAMZSOSDLC-UHFFFAOYSA-N -1 3 341.382 3.182 20 30 EGEDHM N#Cc1ccc(OCCOC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787847078 1305812558 /nfs/dbraw/zinc/81/25/58/1305812558.db2.gz CINUTODOBZWMJI-UHFFFAOYSA-N -1 3 343.354 3.348 20 30 EGEDHM CCC(=NOC[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000788037987 1305853443 /nfs/dbraw/zinc/85/34/43/1305853443.db2.gz AQGVWFJOBAQGAD-SNVBAGLBSA-N -1 3 328.206 3.322 20 30 EGEDHM N#CCCN(Cc1cc(Br)cc(F)c1[O-])CC1CC1 ZINC000894004102 1306172625 /nfs/dbraw/zinc/17/26/25/1306172625.db2.gz XFIBYPXFQJWHIB-UHFFFAOYSA-N -1 3 327.197 3.419 20 30 EGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC[C@H](c3cccc(F)c3)C2)c1[O-] ZINC000794848469 1309608896 /nfs/dbraw/zinc/60/88/96/1309608896.db2.gz OOZZCFQSPDVKOB-OOPCHKLYSA-N -1 3 328.387 3.482 20 30 EGEDHM CC(C)CCN(CCC#N)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000896240783 1309764780 /nfs/dbraw/zinc/76/47/80/1309764780.db2.gz KKFHWEBJNAWATP-UHFFFAOYSA-N -1 3 347.365 3.208 20 30 EGEDHM Cc1cccnc1C(F)(F)C(=O)[N-]Cc1ccc(C#N)c(Cl)c1 ZINC000801072084 1310863078 /nfs/dbraw/zinc/86/30/78/1310863078.db2.gz FWMJPDQEKHWQAM-UHFFFAOYSA-N -1 3 335.741 3.323 20 30 EGEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC000825836153 1320365277 /nfs/dbraw/zinc/36/52/77/1320365277.db2.gz UZQHJONLUNJMDD-HNNXBMFYSA-N -1 3 342.370 3.071 20 30 EGEDHM Cc1cc(C)nc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000802042801 1316975474 /nfs/dbraw/zinc/97/54/74/1316975474.db2.gz XHCNJNCOQWXMFL-GFCCVEGCSA-N -1 3 345.761 3.452 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CCCCS1 ZINC000802924004 1317056453 /nfs/dbraw/zinc/05/64/53/1317056453.db2.gz TVFWAAYSRPSWBJ-ZDUSSCGKSA-N -1 3 334.441 3.037 20 30 EGEDHM CC(C)(C(=O)N([O-])Cc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000901374684 1317412146 /nfs/dbraw/zinc/41/21/46/1317412146.db2.gz QZRPFGQJPWPGHQ-UHFFFAOYSA-N -1 3 345.370 3.293 20 30 EGEDHM Cc1nc2c(cnn2C(C)C)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376350 1317413511 /nfs/dbraw/zinc/41/35/11/1317413511.db2.gz TYOWSTMEDNIHSO-UHFFFAOYSA-N -1 3 342.374 3.491 20 30 EGEDHM C[C@H](C#N)Oc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000806562483 1317501341 /nfs/dbraw/zinc/50/13/41/1317501341.db2.gz JLRXJRPEGYWKRT-FWWGQDLDSA-N -1 3 344.374 3.293 20 30 EGEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cccc(-n2ccnn2)c1 ZINC000806575898 1317505255 /nfs/dbraw/zinc/50/52/55/1317505255.db2.gz PEXQAENJPOYICV-GQCTYLIASA-N -1 3 327.290 3.147 20 30 EGEDHM CCSCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000807965967 1317605265 /nfs/dbraw/zinc/60/52/65/1317605265.db2.gz DGQIXEGWNLPCAP-UHFFFAOYSA-N -1 3 348.493 3.263 20 30 EGEDHM C[C@@H]1CC(=N[N-]S(=O)(=O)CCc2ccccc2)c2ccccc21 ZINC000807974776 1317606466 /nfs/dbraw/zinc/60/64/66/1317606466.db2.gz UGTHQAPAFFUYBU-CQSZACIVSA-N -1 3 328.437 3.060 20 30 EGEDHM O=C(CCCCN1CCOCC1)N([O-])Cc1cccc2ccccc21 ZINC000904170430 1317802393 /nfs/dbraw/zinc/80/23/93/1317802393.db2.gz CHKVCWMJVVRFCO-UHFFFAOYSA-N -1 3 342.439 3.060 20 30 EGEDHM COc1ccc2c(c1)OC[C@@H]2CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174207 1317803791 /nfs/dbraw/zinc/80/37/91/1317803791.db2.gz WSZNIFKOIOHMCX-ZDUSSCGKSA-N -1 3 331.343 3.118 20 30 EGEDHM O=C([C@@H]1C[C@H]2CC(=O)[C@@H]1C2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180023 1317804904 /nfs/dbraw/zinc/80/49/04/1317804904.db2.gz HGJDOZWMBQRFKJ-ZEGGKSINSA-N -1 3 328.195 3.326 20 30 EGEDHM NC(=O)[C@H]1CCC[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000904180686 1317806048 /nfs/dbraw/zinc/80/60/48/1317806048.db2.gz NJKQZTYBTYXAGE-WDEREUQCSA-N -1 3 345.226 3.003 20 30 EGEDHM CCCCN([O-])C(=O)Cn1c(=O)sc(C)c1-c1ccc(F)cc1 ZINC000904208581 1317811166 /nfs/dbraw/zinc/81/11/66/1317811166.db2.gz BHINJRFUWQCJFM-UHFFFAOYSA-N -1 3 338.404 3.042 20 30 EGEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)c2ccc(F)c(Cl)c2)c1 ZINC000811186099 1318120295 /nfs/dbraw/zinc/12/02/95/1318120295.db2.gz BZGKPNNARZMOSE-UHFFFAOYSA-N -1 3 333.702 3.096 20 30 EGEDHM C=CCN(CCC#N)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000908343977 1318329497 /nfs/dbraw/zinc/32/94/97/1318329497.db2.gz TWKGQIPHKFXYPX-UHFFFAOYSA-N -1 3 336.417 3.032 20 30 EGEDHM O=C1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])CN1c1ccccc1F ZINC000812444480 1318394376 /nfs/dbraw/zinc/39/43/76/1318394376.db2.gz AMGYCCKMNBGNRZ-HHGUGQKFSA-N -1 3 332.762 3.409 20 30 EGEDHM Cc1ncc(CO)c(C=NN=C(c2ccccc2)c2ccccc2)c1[O-] ZINC000916264143 1319626176 /nfs/dbraw/zinc/62/61/76/1319626176.db2.gz YWAJQPDMJSBKJR-UHFFFAOYSA-N -1 3 345.402 3.459 20 30 EGEDHM Cc1sc2ncn(N=Cc3cc(Cl)ccc3[O-])c(=O)c2c1C ZINC000916310761 1319637907 /nfs/dbraw/zinc/63/79/07/1319637907.db2.gz INPWSMLISWGKKP-UHFFFAOYSA-N -1 3 333.800 3.316 20 30 EGEDHM CC#CCSc1nc2c(c(-c3ccco3)c1-c1nnn[n-]1)CCC2 ZINC000819766401 1319782896 /nfs/dbraw/zinc/78/28/96/1319782896.db2.gz YHKDPARLHKDKLO-UHFFFAOYSA-N -1 3 337.408 3.126 20 30 EGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCc3c(F)cc(F)cc32)c1[O-] ZINC000840707160 1321131496 /nfs/dbraw/zinc/13/14/96/1321131496.db2.gz OBIUSKPPWXPZDK-OPSNJCDOSA-N -1 3 332.350 3.363 20 30 EGEDHM CC[C@@]1(C)Oc2ccc(N=Cc3c([O-])c(C)ncc3CO)cc2O1 ZINC000840707184 1321131550 /nfs/dbraw/zinc/13/15/50/1321131550.db2.gz SVEPVGSHCBOPPM-SFHVURJKSA-N -1 3 328.368 3.236 20 30 EGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ncc(Cc2cccc(OC)c2)s1 ZINC000844490443 1321612056 /nfs/dbraw/zinc/61/20/56/1321612056.db2.gz NZOKURSFSLVDCA-LLVKDONJSA-N -1 3 333.413 3.370 20 30 EGEDHM C=C(C)CO[N-]C(=O)CCOc1ccc(C)cc1Br ZINC000846540183 1321791495 /nfs/dbraw/zinc/79/14/95/1321791495.db2.gz WCEMEXVQZKPSQW-UHFFFAOYSA-N -1 3 328.206 3.150 20 30 EGEDHM C=C[C@H](C)O[N-]C(=O)CCCOc1cccc(Br)c1 ZINC000846541376 1321791586 /nfs/dbraw/zinc/79/15/86/1321791586.db2.gz GQDKWVBHIWPTIS-NSHDSACASA-N -1 3 328.206 3.230 20 30 EGEDHM C=C(C)CO[N-]C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000846539609 1321791679 /nfs/dbraw/zinc/79/16/79/1321791679.db2.gz JXKHAGOYRXLJRE-MRXNPFEDSA-N -1 3 342.361 3.065 20 30 EGEDHM C=C[C@H](C)O[N-]C(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000846555323 1321793289 /nfs/dbraw/zinc/79/32/89/1321793289.db2.gz PKEJCYMYUIBJMT-NSHDSACASA-N -1 3 340.217 3.424 20 30 EGEDHM Cc1ccc(-c2cc(C(=O)OCc3ccc(C#N)cc3F)n[n-]2)o1 ZINC000919329268 1322056928 /nfs/dbraw/zinc/05/69/28/1322056928.db2.gz MRXJROJMFYNTLL-UHFFFAOYSA-N -1 3 325.299 3.346 20 30 EGEDHM Cc1ccc(-c2cc(C(=O)OCc3ccc(C#N)cc3F)[n-]n2)o1 ZINC000919329268 1322056933 /nfs/dbraw/zinc/05/69/33/1322056933.db2.gz MRXJROJMFYNTLL-UHFFFAOYSA-N -1 3 325.299 3.346 20 30 EGEDHM COC(=O)c1cc(C/N=C/c2cc(Cl)ccc2[O-])ccc1OC ZINC000920942214 1322238158 /nfs/dbraw/zinc/23/81/58/1322238158.db2.gz RXVNDOQWTGRUPB-VXLYETTFSA-N -1 3 333.771 3.460 20 30 EGEDHM C=CCCO[N-]C(=O)CCc1ccc(Br)cc1OC ZINC000856033884 1325441034 /nfs/dbraw/zinc/44/10/34/1325441034.db2.gz VGJOPDFXEKKBSJ-UHFFFAOYSA-N -1 3 328.206 3.014 20 30 EGEDHM CC1(C)C[C@@H](NN=Cc2c([O-])cccc2Br)CCO1 ZINC000863108296 1329528928 /nfs/dbraw/zinc/52/89/28/1329528928.db2.gz KFAKQLNLHSUKSI-JTQLQIEISA-N -1 3 327.222 3.036 20 30 EGEDHM C=C(C)CCC(=O)N1CCC(CC)(NC(=O)c2ccccc2[O-])CC1 ZINC001069408479 1354044322 /nfs/dbraw/zinc/04/43/22/1354044322.db2.gz FJPHXMFOROVZHB-UHFFFAOYSA-N -1 3 344.455 3.250 20 30 EGEDHM C=CCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001073477362 1355812205 /nfs/dbraw/zinc/81/22/05/1355812205.db2.gz IQCDRQQZHDBKIR-KRWDZBQOSA-N -1 3 344.455 3.105 20 30 EGEDHM C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001074995280 1356283588 /nfs/dbraw/zinc/28/35/88/1356283588.db2.gz MQBRAOKAJJLYLU-GJZGRUSLSA-N -1 3 344.455 3.104 20 30 EGEDHM C=C(Cl)CN1CCC[C@@H]2[C@H](NC(=O)c3ccccc3[O-])C(C)(C)[C@H]21 ZINC001087270678 1359343597 /nfs/dbraw/zinc/34/35/97/1359343597.db2.gz DVPAINBUAYWTFU-PVAVHDDUSA-N -1 3 348.874 3.364 20 30 EGEDHM Cc1nsc(N[C@H](C)C[C@H](C)NC(=O)c2ccccc2[O-])c1C#N ZINC001089244567 1360278967 /nfs/dbraw/zinc/27/89/67/1360278967.db2.gz PZPJCSKZNOGFRX-WDEREUQCSA-N -1 3 344.440 3.038 20 30 EGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2cccc(F)c2F)cc1Cl ZINC001189417487 1367016554 /nfs/dbraw/zinc/01/65/54/1367016554.db2.gz PJKSHBGXFZNHPC-UHFFFAOYSA-N -1 3 342.754 3.432 20 30 EGEDHM C[C@H]1CCCN(c2cc(C(=O)Nc3ccc([O-])c(C#N)c3)ccn2)C1 ZINC001189631175 1367073086 /nfs/dbraw/zinc/07/30/86/1367073086.db2.gz NSQUSVZCASQZBR-ZDUSSCGKSA-N -1 3 336.395 3.147 20 30 EGEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001190665501 1367322184 /nfs/dbraw/zinc/32/21/84/1367322184.db2.gz NPTBFBHPPIWHJH-IIAWOOMASA-N -1 3 336.432 3.335 20 30 EGEDHM C=CCC1(S(=O)(=O)[N-]c2ccccc2-c2ccc(C#N)cn2)CC1 ZINC001190815792 1367357110 /nfs/dbraw/zinc/35/71/10/1367357110.db2.gz WRQKZMMCYHPGII-UHFFFAOYSA-N -1 3 339.420 3.471 20 30 EGEDHM CCCCCCC[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001196326130 1368589357 /nfs/dbraw/zinc/58/93/57/1368589357.db2.gz CEDGYJOLAAAAJP-UHFFFAOYSA-N -1 3 335.267 3.093 20 30 EGEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197773579 1368892778 /nfs/dbraw/zinc/89/27/78/1368892778.db2.gz XSIJKPQKEZMZPO-LLVKDONJSA-N -1 3 335.256 3.351 20 30 EGEDHM CCCCCCCCCCNC(=S)NCCCc1c[n-][nH]c1=O ZINC001200217434 1369330747 /nfs/dbraw/zinc/33/07/47/1369330747.db2.gz KWGMZAIWEOMLSG-HNNXBMFYSA-N -1 3 340.537 3.103 20 30 EGEDHM C=CCc1c(F)c(F)c(C(=O)[N-]c2cc(OC)ncn2)c(F)c1F ZINC001186714190 1387999922 /nfs/dbraw/zinc/99/99/22/1387999922.db2.gz XQIDVEGXTRAQQD-UHFFFAOYSA-N -1 3 341.264 3.022 20 30 EGEDHM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001186869305 1388019006 /nfs/dbraw/zinc/01/90/06/1388019006.db2.gz OUZOLYMSBYPBJQ-UHFFFAOYSA-N -1 3 338.363 3.471 20 30 EGEDHM N#CCc1nn(-c2ccccc2)c(Nc2cccc(F)c2[O-])c1C#N ZINC001210197344 1372292791 /nfs/dbraw/zinc/29/27/91/1372292791.db2.gz SNAJAPQRQVKWLV-UHFFFAOYSA-N -1 3 333.326 3.398 20 30 EGEDHM N#Cc1cc(-n2c3ccccc3cc3c(=O)c(N)ccc2-3)ccc1[O-] ZINC001210534615 1372373871 /nfs/dbraw/zinc/37/38/71/1372373871.db2.gz PCROTDYULUAIJT-UHFFFAOYSA-N -1 3 327.343 3.255 20 30 EGEDHM CCOC(Cc1c(Nc2ccc(C)cc2C#N)nc[n-]c1=O)OCC ZINC001210563627 1372379806 /nfs/dbraw/zinc/37/98/06/1372379806.db2.gz OOECZWUNWGTGLN-UHFFFAOYSA-N -1 3 342.399 3.048 20 30 EGEDHM CCCCCCCCS(=O)(=O)[N-]c1cccc2c1NC(=O)NC2 ZINC001188017917 1388216932 /nfs/dbraw/zinc/21/69/32/1388216932.db2.gz KOCPUEZBLNKICI-UHFFFAOYSA-N -1 3 339.461 3.424 20 30 EGEDHM N#Cc1ncc(Br)cc1Nc1cc(F)cc(F)c1[O-] ZINC001212477660 1372713113 /nfs/dbraw/zinc/71/31/13/1372713113.db2.gz KYNAFHOPMOSYHX-UHFFFAOYSA-N -1 3 326.100 3.443 20 30 EGEDHM COc1ncc(Nc2c(C#N)cnn2-c2cccc(Cl)c2)cc1[O-] ZINC001216206337 1373279814 /nfs/dbraw/zinc/27/98/14/1373279814.db2.gz KKGKZEQKZPIOLH-UHFFFAOYSA-N -1 3 341.758 3.250 20 30 EGEDHM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2Oc1cccc(/C=N/[O-])c1 ZINC001226110014 1375204609 /nfs/dbraw/zinc/20/46/09/1375204609.db2.gz MJBCMJLGKHEVCB-MKCIOSGOSA-N -1 3 332.400 3.129 20 30 EGEDHM CC(C)(C)OC(=O)N1CC2(CC[C@@H]2Oc2cccc(/C=N/[O-])c2)C1 ZINC001226113903 1375205602 /nfs/dbraw/zinc/20/56/02/1375205602.db2.gz BHXSTLFCUYPJAR-RPJLVFAOSA-N -1 3 332.400 3.273 20 30 EGEDHM C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2ccc([O-])c(C#N)c2C#N)C1 ZINC001227623153 1375455819 /nfs/dbraw/zinc/45/58/19/1375455819.db2.gz PNFZZADXBAOBAR-LSDHHAIUSA-N -1 3 348.406 3.135 20 30 EGEDHM Cc1cc(O[C@@H](C)CS)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229543153 1375853188 /nfs/dbraw/zinc/85/31/88/1375853188.db2.gz WEWBVPVVXSVRSY-JTQLQIEISA-N -1 3 328.389 3.173 20 30 EGEDHM COc1cc([O-])c2c(cc(C)c(C(C)=O)c2O[C@@H]2C=CC(=O)C2)c1 ZINC001229811651 1375897682 /nfs/dbraw/zinc/89/76/82/1375897682.db2.gz SWWDDLWKXHWUOK-CQSZACIVSA-N -1 3 326.348 3.341 20 30 EGEDHM C=CC[C@@H](C=C)Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2 ZINC001230186010 1375959186 /nfs/dbraw/zinc/95/91/86/1375959186.db2.gz JTPKVJCUTNAGHH-MRXNPFEDSA-N -1 3 337.423 3.250 20 30 EGEDHM C=CC[C@H](Oc1nc[n-]c(=O)c1CC(=O)OC)c1ccc(Cl)cc1 ZINC001230501110 1376043254 /nfs/dbraw/zinc/04/32/54/1376043254.db2.gz VENRKCZYMRSVIZ-AWEZNQCLSA-N -1 3 348.786 3.247 20 30 EGEDHM C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccc(Cl)c([O-])c1)C2 ZINC001231739183 1376312629 /nfs/dbraw/zinc/31/26/29/1376312629.db2.gz YCIZJDXFSNDYBF-CRAIPNDOSA-N -1 3 337.847 3.372 20 30 EGEDHM N#Cc1ccc([O-])c(CN2CC[C@H](Oc3cc(F)ccc3F)C2)c1 ZINC001232679818 1376500840 /nfs/dbraw/zinc/50/08/40/1376500840.db2.gz SKBMAAONOROKJD-HNNXBMFYSA-N -1 3 330.334 3.195 20 30 EGEDHM CCOC(=O)c1cc2c(s1)CCN(Cc1ccc(C#N)cc1[O-])C2 ZINC001233386469 1376633628 /nfs/dbraw/zinc/63/36/28/1376633628.db2.gz VHJOWQVJHZIWDG-UHFFFAOYSA-N -1 3 342.420 3.060 20 30 EGEDHM CC(C)(C)OC(=O)N1CC2(CC[C@@H]2Oc2cc([O-])cc(C#N)c2)C1 ZINC001234141468 1376776417 /nfs/dbraw/zinc/77/64/17/1376776417.db2.gz OZJJIPBPNNGGKZ-HNNXBMFYSA-N -1 3 330.384 3.042 20 30 EGEDHM C=CCOCc1ncn2c1CN(Cc1c([O-])cccc1Cl)CCC2 ZINC001140338346 1378048625 /nfs/dbraw/zinc/04/86/25/1378048625.db2.gz GJWFUMJHHRVKPO-UHFFFAOYSA-N -1 3 347.846 3.351 20 30 EGEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cc(=O)[n-]cn3)cc2)cc1 ZINC001142569741 1378460273 /nfs/dbraw/zinc/46/02/73/1378460273.db2.gz QQCXPZFFDXZPQD-UHFFFAOYSA-N -1 3 332.319 3.098 20 30 EGEDHM CC(C)(C)OC(=O)c1ccc(NC(=O)C#Cc2ccccc2)c([O-])c1 ZINC001142861286 1378497609 /nfs/dbraw/zinc/49/76/09/1378497609.db2.gz HHDHXZZKFQGHLG-UHFFFAOYSA-N -1 3 337.375 3.338 20 30 EGEDHM N#CCCN(Cc1cccnc1)C(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154023762 1380183118 /nfs/dbraw/zinc/18/31/18/1380183118.db2.gz ZZZDDIMSCANWRN-UHFFFAOYSA-N -1 3 347.374 3.202 20 30 EGEDHM COC(=O)c1cccc2c1n[n-]c2C(=O)Nc1ccc([C@@H](C)C#N)cc1 ZINC001154146951 1380216551 /nfs/dbraw/zinc/21/65/51/1380216551.db2.gz MHKJACUUDXIPDJ-NSHDSACASA-N -1 3 348.362 3.229 20 30 EGEDHM COC(=O)c1cccc2c(C(=O)Nc3ccc([C@@H](C)C#N)cc3)n[n-]c21 ZINC001154146951 1380216554 /nfs/dbraw/zinc/21/65/54/1380216554.db2.gz MHKJACUUDXIPDJ-NSHDSACASA-N -1 3 348.362 3.229 20 30 EGEDHM CC(C)CCC[C@H](C)NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154558937 1380305426 /nfs/dbraw/zinc/30/54/26/1380305426.db2.gz DREVHGXTQREWHD-ZDUSSCGKSA-N -1 3 325.412 3.344 20 30 EGEDHM C[C@@H](C#N)c1ccc(NC(=O)c2nc3nc(Cl)ccc3[n-]2)cc1 ZINC001155178765 1380420135 /nfs/dbraw/zinc/42/01/35/1380420135.db2.gz MVRNOQXVSUACCC-VIFPVBQESA-N -1 3 325.759 3.491 20 30 EGEDHM C[C@@H](C#N)c1ccc(NC(=O)c2nc3ccc(Cl)[n-]c-3n2)cc1 ZINC001155178765 1380420136 /nfs/dbraw/zinc/42/01/36/1380420136.db2.gz MVRNOQXVSUACCC-VIFPVBQESA-N -1 3 325.759 3.491 20 30 EGEDHM C[C@@H](C#N)c1ccc(NC(=O)c2nc3ccc(Cl)nc3[n-]2)cc1 ZINC001155178765 1380420137 /nfs/dbraw/zinc/42/01/37/1380420137.db2.gz MVRNOQXVSUACCC-VIFPVBQESA-N -1 3 325.759 3.491 20 30 EGEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCCc2ccsc2)n1 ZINC001156521120 1380587656 /nfs/dbraw/zinc/58/76/56/1380587656.db2.gz LVCKFUKBYOFGCA-GIDUJCDVSA-N -1 3 328.850 3.376 20 30 EGEDHM CSc1nc(Cl)c(/C=N/[O-])c(N(C)Cc2ccc(C#N)cc2)n1 ZINC001166537758 1383434633 /nfs/dbraw/zinc/43/46/33/1383434633.db2.gz CQBVNTKFURMBDV-QGMBQPNBSA-N -1 3 347.831 3.168 20 30 EGEDHM COC(C)(C)[C@H]1CCCN1c1nc(SC)nc(Cl)c1/C=N/[O-] ZINC001166792845 1383477979 /nfs/dbraw/zinc/47/79/79/1383477979.db2.gz VZHVHHITJDDHNX-LYQMGENXSA-N -1 3 344.868 3.054 20 30 EGEDHM CC[C@H](CCc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001328805037 1388871424 /nfs/dbraw/zinc/87/14/24/1388871424.db2.gz YPOFSEJDLYFGEK-OAHLLOKOSA-N -1 3 328.437 3.137 20 30 EGEDHM C[Si](C)(C)C#Cc1ncccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175425280 1385283984 /nfs/dbraw/zinc/28/39/84/1385283984.db2.gz QGFSYCKTXYPHOR-UHFFFAOYSA-N -1 3 334.459 3.234 20 30 EGEDHM CS(=O)(=O)Nc1ccccc1C/N=C/c1cc(Cl)ccc1[O-] ZINC001317903937 1385565704 /nfs/dbraw/zinc/56/57/04/1385565704.db2.gz UDKONWAZUHMGPW-LICLKQGHSA-N -1 3 338.816 3.036 20 30 EGEDHM C=C(C)Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C)c1[O-] ZINC001340142985 1390235543 /nfs/dbraw/zinc/23/55/43/1390235543.db2.gz NGLBHTGOLQFKHU-CYBMUJFWSA-N -1 3 325.416 3.045 20 30 EGEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(CC(C)C)CC1 ZINC001340502440 1390300652 /nfs/dbraw/zinc/30/06/52/1390300652.db2.gz UDUOCSACDBNCDJ-UHFFFAOYSA-N -1 3 331.420 3.087 20 30 EGEDHM COC(=O)c1cc(Cl)cc(NC(=O)c2cccc(C#N)c2C)c1[O-] ZINC001341898534 1390546884 /nfs/dbraw/zinc/54/68/84/1390546884.db2.gz LVPJBBCZGICDBC-UHFFFAOYSA-N -1 3 344.754 3.265 20 30 EGEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCCCCC1 ZINC001342521378 1390621932 /nfs/dbraw/zinc/62/19/32/1390621932.db2.gz FCEGVKLHNVKEHG-UHFFFAOYSA-N -1 3 342.447 3.096 20 30 EGEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=Cc1cc(Cl)cc(Cl)c1 ZINC001344595220 1390801996 /nfs/dbraw/zinc/80/19/96/1390801996.db2.gz IQLLSKGTOOJYNH-IBUXWKBASA-N -1 3 348.189 3.332 20 30 EGEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@](C)(CC)C1 ZINC001346355321 1390925012 /nfs/dbraw/zinc/92/50/12/1390925012.db2.gz JCSPRYHXZMDPLD-SFHVURJKSA-N -1 3 342.447 3.033 20 30 EGEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001347849772 1391135106 /nfs/dbraw/zinc/13/51/06/1391135106.db2.gz BOKVRDNWHUVRIC-UHFFFAOYSA-N -1 3 342.770 3.244 20 30 EGEDHM C=C(C)C[C@@H](C)C(=O)NCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001756278962 1441000221 /nfs/dbraw/zinc/00/02/21/1441000221.db2.gz HFMPPWZEAPDDSO-HUUCEWRRSA-N -1 3 332.444 3.009 20 30 EGEDHM c1ccc([C@@H]2CCCC2=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823774045 946478738 /nfs/dbraw/zinc/47/87/38/946478738.db2.gz YEERQAPKHLVPMF-KRWDZBQOSA-N -1 3 332.411 3.280 20 30 EGEDHM c1ccc([C@@H]2CCCC2=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823774045 946478743 /nfs/dbraw/zinc/47/87/43/946478743.db2.gz YEERQAPKHLVPMF-KRWDZBQOSA-N -1 3 332.411 3.280 20 30 EGEDHM C=CCCC1(CNC(=O)c2csc(-c3nnn[n-]3)c2)CCCC1 ZINC001573334553 947456219 /nfs/dbraw/zinc/45/62/19/947456219.db2.gz NUEYFYHCCLOBPN-UHFFFAOYSA-N -1 3 331.445 3.185 20 30 EGEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2ccc(Cl)cc21 ZINC000826475554 948376202 /nfs/dbraw/zinc/37/62/02/948376202.db2.gz JRTARELMGCGKBR-YVMONPNESA-N -1 3 344.783 3.240 20 30 EGEDHM CC(C)c1[nH]c(CNCc2ccc(OCC#N)cc2)cc1C(=O)[O-] ZINC001591917747 976377187 /nfs/dbraw/zinc/37/71/87/976377187.db2.gz APENEYVODJLZCS-UHFFFAOYSA-N -1 3 327.384 3.028 20 30 EGEDHM CCC1(CC)[C@H](NCc2cccc(C(=O)[O-])c2C#N)[C@@H](C)[C@H]1OC ZINC001595374462 980884325 /nfs/dbraw/zinc/88/43/25/980884325.db2.gz ZAUDZIGHEUWVNY-CSMYWGQOSA-N -1 3 330.428 3.186 20 30 EGEDHM N#Cc1ccc(OC2CCN(Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC000903673015 981011034 /nfs/dbraw/zinc/01/10/34/981011034.db2.gz XLGRLGKNZUXEPP-UHFFFAOYSA-N -1 3 342.420 3.361 20 30 EGEDHM C=C(C)C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC001588552893 983626945 /nfs/dbraw/zinc/62/69/45/983626945.db2.gz FFJNEFZKHJCDGF-CQSZACIVSA-N -1 3 347.396 3.227 20 30 EGEDHM CCO[C@@H]1C[C@H](NCc2cccc(C(=O)[O-])c2C#N)C12CCCC2 ZINC001596838621 985509354 /nfs/dbraw/zinc/50/93/54/985509354.db2.gz ORVXFMXCZLENGK-DLBZAZTESA-N -1 3 328.412 3.084 20 30 EGEDHM N#Cc1ccc(OCc2ccc(C(=O)Nc3ncccc3[O-])o2)cc1 ZINC000102783284 283183213 /nfs/dbraw/zinc/18/32/13/283183213.db2.gz BJQVTORPHZDIIQ-UHFFFAOYSA-N -1 3 335.319 3.083 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2CC[C@H]1C ZINC000072704607 216295920 /nfs/dbraw/zinc/29/59/20/216295920.db2.gz UEVFPSMBWGAGMJ-CYBMUJFWSA-N -1 3 349.434 3.164 20 30 EGEDHM COc1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)nn1 ZINC000078081453 217019424 /nfs/dbraw/zinc/01/94/24/217019424.db2.gz JTVACVROZKGBLH-UHFFFAOYSA-N -1 3 342.424 3.330 20 30 EGEDHM N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c(F)c1 ZINC000263717530 245576314 /nfs/dbraw/zinc/57/63/14/245576314.db2.gz OBZZPGAXANZUPB-UHFFFAOYSA-N -1 3 339.370 3.258 20 30 EGEDHM N#Cc1ccc(OC2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000263500541 141053403 /nfs/dbraw/zinc/05/34/03/141053403.db2.gz VHJSNJOHTYSDAB-UHFFFAOYSA-N -1 3 336.391 3.300 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CCC(F)(F)C2)no1 ZINC000343186847 144191163 /nfs/dbraw/zinc/19/11/63/144191163.db2.gz XQYGWXBTQYZXDM-NSHDSACASA-N -1 3 348.353 3.347 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)CC(C)(C)C1 ZINC000341425471 155286262 /nfs/dbraw/zinc/28/62/62/155286262.db2.gz AIDUYNLDAQYWIO-UHFFFAOYSA-N -1 3 343.471 3.493 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1 ZINC000176727706 152935131 /nfs/dbraw/zinc/93/51/31/152935131.db2.gz CHOPXTGHULRILT-UHFFFAOYSA-N -1 3 328.727 3.291 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c(Cl)c1 ZINC000355612320 166261000 /nfs/dbraw/zinc/26/10/00/166261000.db2.gz BXGRSDTYHURDDX-UHFFFAOYSA-N -1 3 345.811 3.171 20 30 EGEDHM Cc1c(C#N)cccc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000507950810 269904625 /nfs/dbraw/zinc/90/46/25/269904625.db2.gz RQRDWVKBXRLPKC-UHFFFAOYSA-N -1 3 333.413 3.094 20 30 EGEDHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)C(F)(F)F ZINC000443944975 270052393 /nfs/dbraw/zinc/05/23/93/270052393.db2.gz ONTFDUYSJUWWTL-NOZJJQNGSA-N -1 3 334.363 3.122 20 30 EGEDHM CCc1ccc([O-])c(C(=O)NCCSCc2ccccc2C#N)c1 ZINC000500426921 270058876 /nfs/dbraw/zinc/05/88/76/270058876.db2.gz WLTKYSFFOTVPFZ-UHFFFAOYSA-N -1 3 340.448 3.489 20 30 EGEDHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443356384 267181513 /nfs/dbraw/zinc/18/15/13/267181513.db2.gz CZXNLQPTCTXZRS-KGLIPLIRSA-N -1 3 342.461 3.040 20 30 EGEDHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCC1 ZINC000456714706 267189276 /nfs/dbraw/zinc/18/92/76/267189276.db2.gz ZCTMUIIEWJOEMS-QGZVFWFLSA-N -1 3 329.444 3.293 20 30 EGEDHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1 ZINC000428251501 267196446 /nfs/dbraw/zinc/19/64/46/267196446.db2.gz VMIAWGPCPKKPGP-CYBMUJFWSA-N -1 3 335.816 3.036 20 30 EGEDHM CC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)s1 ZINC000428258708 267223321 /nfs/dbraw/zinc/22/33/21/267223321.db2.gz GNSAELMIONLPSL-VIFPVBQESA-N -1 3 341.845 3.098 20 30 EGEDHM Cc1cccc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000316115360 267467040 /nfs/dbraw/zinc/46/70/40/267467040.db2.gz DNQBZRYMUHGFMY-UHFFFAOYSA-N -1 3 334.828 3.041 20 30 EGEDHM Cc1cc(C)cc(-c2cc(=NC(=O)Cc3c(F)cccc3C#N)[nH][n-]2)c1 ZINC000494003205 267989572 /nfs/dbraw/zinc/98/95/72/267989572.db2.gz GJNFZEXBMMQYST-UHFFFAOYSA-N -1 3 348.381 3.307 20 30 EGEDHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)ccc1C#N ZINC000431616447 268017612 /nfs/dbraw/zinc/01/76/12/268017612.db2.gz GKTGRMQGQHPTDQ-OAHLLOKOSA-N -1 3 336.363 3.151 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCc3ccccc32)s1 ZINC000331825407 268203528 /nfs/dbraw/zinc/20/35/28/268203528.db2.gz ZBKGQFIHGDUDAG-CYBMUJFWSA-N -1 3 332.450 3.018 20 30 EGEDHM N#Cc1ccc(CNCC[C@@H](Cc2ccccc2)C(=O)[O-])c(F)c1 ZINC000417565324 268232464 /nfs/dbraw/zinc/23/24/64/268232464.db2.gz LWWACHNVCKXRNH-INIZCTEOSA-N -1 3 326.371 3.121 20 30 EGEDHM N#Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(Cl)c1 ZINC000494584183 268247459 /nfs/dbraw/zinc/24/74/59/268247459.db2.gz USVCGJXZOLAIOG-UHFFFAOYSA-N -1 3 341.714 3.248 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)c(Cl)c1 ZINC000503482305 268259042 /nfs/dbraw/zinc/25/90/42/268259042.db2.gz CCSOPNPJDAVWCN-GDBMZVCRSA-N -1 3 346.839 3.121 20 30 EGEDHM C[C@H]1CCCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344698877 278355305 /nfs/dbraw/zinc/35/53/05/278355305.db2.gz IUNYCUPBKRJJRR-YVEFUNNKSA-N -1 3 330.409 3.143 20 30 EGEDHM Cn1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)nn1 ZINC000361019899 294227082 /nfs/dbraw/zinc/22/70/82/294227082.db2.gz DUUQEALQSPQGCV-SNVBAGLBSA-N -1 3 343.456 3.152 20 30 EGEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000536552798 314123515 /nfs/dbraw/zinc/12/35/15/314123515.db2.gz KXEBTPGSCJBVLO-UHFFFAOYSA-N -1 3 332.347 3.044 20 30 EGEDHM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F ZINC000539766445 314335240 /nfs/dbraw/zinc/33/52/40/314335240.db2.gz STPIACNZJGOPTK-LBPRGKRZSA-N -1 3 334.363 3.204 20 30 EGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F ZINC000541825348 314491636 /nfs/dbraw/zinc/49/16/36/314491636.db2.gz DUUSEWIPDHXLOB-GFCCVEGCSA-N -1 3 334.363 3.122 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cccc(Cl)c1Cl ZINC000553493682 315266592 /nfs/dbraw/zinc/26/65/92/315266592.db2.gz RBEMMZXYTLSJQE-MRVPVSSYSA-N -1 3 345.207 3.498 20 30 EGEDHM C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000564861996 316221144 /nfs/dbraw/zinc/22/11/44/316221144.db2.gz DBCOFJQBXCSUGC-JTQLQIEISA-N -1 3 332.323 3.020 20 30 EGEDHM O=C(COCC(F)(F)F)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000118244985 455101325 /nfs/dbraw/zinc/10/13/25/455101325.db2.gz KGDOIQHDAUCUDN-JTQLQIEISA-N -1 3 333.203 3.124 20 30 EGEDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000157697934 455221415 /nfs/dbraw/zinc/22/14/15/455221415.db2.gz OHVRPWPTTYRKOE-OLZOCXBDSA-N -1 3 344.889 3.164 20 30 EGEDHM CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000183902264 455337667 /nfs/dbraw/zinc/33/76/67/455337667.db2.gz AZPSDHQPPXUJRO-UHFFFAOYSA-N -1 3 325.416 3.186 20 30 EGEDHM COc1ccc(C#N)cc1[N-]C(=O)c1noc(-c2cccc(F)c2)n1 ZINC000081306100 453858432 /nfs/dbraw/zinc/85/84/32/453858432.db2.gz SFMXTKGIRNWICN-UHFFFAOYSA-N -1 3 338.298 3.008 20 30 EGEDHM Cc1ccc([C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])N(C)C)cc1 ZINC000067005678 453893563 /nfs/dbraw/zinc/89/35/63/453893563.db2.gz DTFPMVDUYIGAJD-HDZGYNCQSA-N -1 3 327.384 3.331 20 30 EGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000041521741 453969815 /nfs/dbraw/zinc/96/98/15/453969815.db2.gz PWJOAKGQNJKFJV-HOTGVXAUSA-N -1 3 342.420 3.499 20 30 EGEDHM CC1=NN(c2ccc(C(=O)Nc3nnc(-c4ccco4)[n-]3)cc2)CC1 ZINC000076462128 454002874 /nfs/dbraw/zinc/00/28/74/454002874.db2.gz POJSLJDNDNANSZ-UHFFFAOYSA-N -1 3 336.355 3.287 20 30 EGEDHM CC1=NN(c2ccc(C(=O)Nc3nc(-c4ccco4)n[n-]3)cc2)CC1 ZINC000076462128 454002875 /nfs/dbraw/zinc/00/28/75/454002875.db2.gz POJSLJDNDNANSZ-UHFFFAOYSA-N -1 3 336.355 3.287 20 30 EGEDHM CC1=NN(c2ccc(C(=O)Nc3n[n-]c(-c4ccco4)n3)cc2)CC1 ZINC000076462128 454002876 /nfs/dbraw/zinc/00/28/76/454002876.db2.gz POJSLJDNDNANSZ-UHFFFAOYSA-N -1 3 336.355 3.287 20 30 EGEDHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055949662 454028508 /nfs/dbraw/zinc/02/85/08/454028508.db2.gz NIZNYHGUASHMJI-ZWNOBZJWSA-N -1 3 346.374 3.434 20 30 EGEDHM Cc1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c(=O)[nH]1 ZINC000068723270 454047501 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N#CC(=C([O-])c1cc(-c2ccccc2)[nH]n1)c1nc2ccccc2[nH]1 ZINC000078733609 454308350 /nfs/dbraw/zinc/30/83/50/454308350.db2.gz NGOAQPAELVTZKN-CYBMUJFWSA-N -1 3 327.347 3.443 20 30 EGEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1COc2ccc(F)cc2C1 ZINC000090525385 454316294 /nfs/dbraw/zinc/31/62/94/454316294.db2.gz XSHWHACBPFGASB-SNVBAGLBSA-N -1 3 328.303 3.043 20 30 EGEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1COc2ccc(F)cc2C1 ZINC000090525385 454316297 /nfs/dbraw/zinc/31/62/97/454316297.db2.gz XSHWHACBPFGASB-SNVBAGLBSA-N -1 3 328.303 3.043 20 30 EGEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1COc2ccc(F)cc2C1 ZINC000090525385 454316298 /nfs/dbraw/zinc/31/62/98/454316298.db2.gz XSHWHACBPFGASB-SNVBAGLBSA-N -1 3 328.303 3.043 20 30 EGEDHM COc1cc(CN2CC[C@H](/N=C/c3ccccc3[O-])C2)cc(OC)c1 ZINC000132444171 454338760 /nfs/dbraw/zinc/33/87/60/454338760.db2.gz PPCWYNUSKZDIGE-RHLNUJDMSA-N -1 3 340.423 3.103 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCc2ccccc21 ZINC000047975620 454427000 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EGEDHM CCn1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c(C2CC2)n1 ZINC000633914955 461330429 /nfs/dbraw/zinc/33/04/29/461330429.db2.gz ITOUUFMEXGYIAT-CYBMUJFWSA-N -1 3 333.395 3.455 20 30 EGEDHM N#Cc1ccc(CCN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000660024337 461550467 /nfs/dbraw/zinc/55/04/67/461550467.db2.gz RCSKDSXATBXXGV-UHFFFAOYSA-N -1 3 334.419 3.401 20 30 EGEDHM C=CCOc1cccc([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)c1 ZINC000656618158 461808172 /nfs/dbraw/zinc/80/81/72/461808172.db2.gz AVYCKSQNJYKELZ-KRWDZBQOSA-N -1 3 339.457 3.198 20 30 EGEDHM C=CCC[C@@H](C(=O)N=c1[n-]n(C)cc1Br)c1ccccc1 ZINC000648439801 462119605 /nfs/dbraw/zinc/11/96/05/462119605.db2.gz NGOLXFQDXKNKLT-CYBMUJFWSA-N -1 3 348.244 3.293 20 30 EGEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645597116 462377215 /nfs/dbraw/zinc/37/72/15/462377215.db2.gz FMSBCWZRPWWHFH-ZETCQYMHSA-N -1 3 329.727 3.091 20 30 EGEDHM CCC(CC)N(CC(C)C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000178018190 528769327 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C=CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734330 607404892 /nfs/dbraw/zinc/40/48/92/607404892.db2.gz MBILVCCNKYEBNU-QGZVFWFLSA-N -1 3 333.395 3.304 20 30 EGEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000821770091 607457650 /nfs/dbraw/zinc/45/76/50/607457650.db2.gz OOSJMZWCORNUQJ-XQRVVYSFSA-N -1 3 342.305 3.050 20 30 EGEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000821770091 607457652 /nfs/dbraw/zinc/45/76/52/607457652.db2.gz OOSJMZWCORNUQJ-XQRVVYSFSA-N -1 3 342.305 3.050 20 30 EGEDHM N#Cc1cccc([C@@H](NCc2ccccc2C(F)(F)F)C(=O)[O-])c1 ZINC000833075883 601303669 /nfs/dbraw/zinc/30/36/69/601303669.db2.gz NXVORKCDMGPVRS-OAHLLOKOSA-N -1 3 334.297 3.493 20 30 EGEDHM N#Cc1nc(Oc2ccc(-c3nnn[n-]3)cc2Cl)ccc1Cl ZINC000822846404 606443930 /nfs/dbraw/zinc/44/39/30/606443930.db2.gz ZUTAREFRGOXSFN-UHFFFAOYSA-N -1 3 333.138 3.232 20 30 EGEDHM N#Cc1nc(Oc2ccc(-c3nn[n-]n3)cc2Cl)ccc1Cl ZINC000822846404 606443931 /nfs/dbraw/zinc/44/39/31/606443931.db2.gz ZUTAREFRGOXSFN-UHFFFAOYSA-N -1 3 333.138 3.232 20 30 EGEDHM CC(C)CC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCCC1 ZINC000820062163 606680719 /nfs/dbraw/zinc/68/07/19/606680719.db2.gz IJYATKVVLPHZIM-UHFFFAOYSA-N -1 3 338.415 3.283 20 30 EGEDHM CC(C)CC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCCC1 ZINC000820062163 606680720 /nfs/dbraw/zinc/68/07/20/606680720.db2.gz IJYATKVVLPHZIM-UHFFFAOYSA-N -1 3 338.415 3.283 20 30 EGEDHM N#Cc1ccc(F)c(COc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822830090 606787462 /nfs/dbraw/zinc/78/74/62/606787462.db2.gz UMYZTIXXXGNONT-UHFFFAOYSA-N -1 3 329.722 3.110 20 30 EGEDHM N#Cc1ccc(F)c(COc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822830090 606787463 /nfs/dbraw/zinc/78/74/63/606787463.db2.gz UMYZTIXXXGNONT-UHFFFAOYSA-N -1 3 329.722 3.110 20 30 EGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccsc1 ZINC000819745485 606829302 /nfs/dbraw/zinc/82/93/02/606829302.db2.gz FZBFJXMSBNYVMO-UHFFFAOYSA-N -1 3 340.412 3.148 20 30 EGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccsc1 ZINC000819745485 606829304 /nfs/dbraw/zinc/82/93/04/606829304.db2.gz FZBFJXMSBNYVMO-UHFFFAOYSA-N -1 3 340.412 3.148 20 30 EGEDHM O=C1c2cccc(F)c2SCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823503018 607149188 /nfs/dbraw/zinc/14/91/88/607149188.db2.gz AHBVUFWFZYZLAC-XYOKQWHBSA-N -1 3 338.367 3.378 20 30 EGEDHM O=C1c2cccc(F)c2SCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823503018 607149190 /nfs/dbraw/zinc/14/91/90/607149190.db2.gz AHBVUFWFZYZLAC-XYOKQWHBSA-N -1 3 338.367 3.378 20 30 EGEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000826187126 607915866 /nfs/dbraw/zinc/91/58/66/607915866.db2.gz AZNDAPHLRFBTNB-UTCJRWHESA-N -1 3 342.305 3.050 20 30 EGEDHM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000826187126 607915867 /nfs/dbraw/zinc/91/58/67/607915867.db2.gz AZNDAPHLRFBTNB-UTCJRWHESA-N -1 3 342.305 3.050 20 30 EGEDHM Cc1c(NCc2ccc(O[C@@H](C)C#N)cc2)cccc1-c1nnn[n-]1 ZINC000826242261 609486203 /nfs/dbraw/zinc/48/62/03/609486203.db2.gz HLMUKFULZDYBHC-LBPRGKRZSA-N -1 3 334.383 3.078 20 30 EGEDHM Cc1c(NCc2ccc(O[C@@H](C)C#N)cc2)cccc1-c1nn[n-]n1 ZINC000826242261 609486205 /nfs/dbraw/zinc/48/62/05/609486205.db2.gz HLMUKFULZDYBHC-LBPRGKRZSA-N -1 3 334.383 3.078 20 30 EGEDHM COc1ccc2cc(C/N=C/c3c([O-])c(C)ncc3CO)ccc2c1 ZINC000011114830 1291124070 /nfs/dbraw/zinc/12/40/70/1291124070.db2.gz YHYSNURKWKYKDN-SRZZPIQSSA-N -1 3 336.391 3.369 20 30 EGEDHM CCCc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000011870306 1291129340 /nfs/dbraw/zinc/12/93/40/1291129340.db2.gz HYOJGYHNJFZQQJ-UHFFFAOYSA-N -1 3 337.423 3.387 20 30 EGEDHM C=C(C)COc1cc(/C=C2/c3ccccc3C(=O)[N-]C2=O)ccc1OC ZINC000060822180 1291945046 /nfs/dbraw/zinc/94/50/46/1291945046.db2.gz KESTVSVDAZZWAY-YVLHZVERSA-N -1 3 349.386 3.461 20 30 EGEDHM CC(C)(C)OC(=O)NCc1ccc(C([O-])=C(C#N)c2ccccn2)o1 ZINC000076824481 1292444467 /nfs/dbraw/zinc/44/44/67/1292444467.db2.gz UXTRARDJBZQUSF-CYBMUJFWSA-N -1 3 341.367 3.189 20 30 EGEDHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000077687760 1292481744 /nfs/dbraw/zinc/48/17/44/1292481744.db2.gz WZFLHWRMEOBHCS-UHFFFAOYSA-N -1 3 335.816 3.078 20 30 EGEDHM Cc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000100949168 1292966200 /nfs/dbraw/zinc/96/62/00/1292966200.db2.gz ZRUBJGCOCRKYMB-GFCCVEGCSA-N -1 3 333.800 3.375 20 30 EGEDHM C=CCC(F)(F)C(=O)[N-][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000833720310 1293065339 /nfs/dbraw/zinc/06/53/39/1293065339.db2.gz YHMXWWIOLJZYIT-GFCCVEGCSA-N -1 3 337.288 3.457 20 30 EGEDHM N#CCCSc1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000108249855 1293079055 /nfs/dbraw/zinc/07/90/55/1293079055.db2.gz ZEYUGGYPHCPZGD-NTCAYCPXSA-N -1 3 349.415 3.415 20 30 EGEDHM CC[C@H]1CCC[C@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000115919324 1293197761 /nfs/dbraw/zinc/19/77/61/1293197761.db2.gz MGUGULLTXYWSIP-GJZGRUSLSA-N -1 3 330.428 3.308 20 30 EGEDHM COc1cc(C(=O)C=Cc2c[nH]nc2C(C)(C)C)c(OC)cc1[O-] ZINC000122482600 1293414801 /nfs/dbraw/zinc/41/48/01/1293414801.db2.gz DQEGJCZRDRDUAG-VOTSOKGWSA-N -1 3 330.384 3.326 20 30 EGEDHM COc1cc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(OC)cc1[O-] ZINC000122519895 1293415717 /nfs/dbraw/zinc/41/57/17/1293415717.db2.gz ZJADMSDGUWJPHT-JXMROGBWSA-N -1 3 327.380 3.372 20 30 EGEDHM COc1cc(C(=O)/C=C/c2cnc3c(C)cccn23)c(OC)cc1[O-] ZINC000122518851 1293415871 /nfs/dbraw/zinc/41/58/71/1293415871.db2.gz ONPJRRQDEUHASL-VOTSOKGWSA-N -1 3 338.363 3.262 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(Cl)c(F)c1 ZINC000133954415 1293758294 /nfs/dbraw/zinc/75/82/94/1293758294.db2.gz XTQLAPGMJXYFMT-UHFFFAOYSA-N -1 3 348.761 3.194 20 30 EGEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cncc(F)c1 ZINC000151606215 1293932343 /nfs/dbraw/zinc/93/23/43/1293932343.db2.gz JUILYQLJOLMACL-INIZCTEOSA-N -1 3 333.322 3.335 20 30 EGEDHM N#Cc1c(CO[N-]C(=O)CCCc2ccccc2)cn2ccccc12 ZINC000177586674 1294678425 /nfs/dbraw/zinc/67/84/25/1294678425.db2.gz UBZVGTTWVBEMJO-UHFFFAOYSA-N -1 3 333.391 3.382 20 30 EGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc3nc(C)ccc3o2)c1 ZINC000179612816 1294808041 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C=CCC[C@H](NC(=O)CCc1c(C)nc[n-]c1=O)c1ccccc1 ZINC001340766326 1390362161 /nfs/dbraw/zinc/36/21/61/1390362161.db2.gz QABDODVPQSHYRW-KRWDZBQOSA-N -1 3 325.412 3.247 20 30 EGEDHM C=C(C)Cc1cccc(-c2nnc(N3CCCC3)n2CCOC)c1[O-] ZINC001342667114 1390639047 /nfs/dbraw/zinc/63/90/47/1390639047.db2.gz XIGGHKPSTZZSFF-UHFFFAOYSA-N -1 3 342.443 3.016 20 30 EGEDHM CCCc1c(C([O-])=C(C#N)c2nccn2C)cnn1-c1ccccc1C ZINC001343705420 1390732164 /nfs/dbraw/zinc/73/21/64/1390732164.db2.gz RDIFXZDKDUPIOB-OAHLLOKOSA-N -1 3 347.422 3.357 20 30 EGEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](CCC)C1 ZINC001343730771 1390733570 /nfs/dbraw/zinc/73/35/70/1390733570.db2.gz CYMFKSFLUKKWDP-CYBMUJFWSA-N -1 3 331.420 3.231 20 30 EGEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(C(C)C)nc2onc(C)c21 ZINC001346095780 1390906924 /nfs/dbraw/zinc/90/69/24/1390906924.db2.gz IZJHIMCVDCZDGR-CYBMUJFWSA-N -1 3 337.383 3.361 20 30 EGEDHM N#Cc1ccc(C2=CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826384586 1425976125 /nfs/dbraw/zinc/97/61/25/1425976125.db2.gz BGQIQXSDNFXJLK-UHFFFAOYSA-N -1 3 342.406 3.028 20 30 EGEDHM N#Cc1ccc(C2=CCN(Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826384586 1425976127 /nfs/dbraw/zinc/97/61/27/1425976127.db2.gz BGQIQXSDNFXJLK-UHFFFAOYSA-N -1 3 342.406 3.028 20 30 EGEDHM C=CC[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccncc1 ZINC000823888870 1441963678 /nfs/dbraw/zinc/96/36/78/1441963678.db2.gz ZDVATLPVBSIOOG-SJKOYZFVSA-N -1 3 338.390 3.369 20 30 EGEDHM C=CC[C@@H](N[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1)c1ccncc1 ZINC000823888870 1441963681 /nfs/dbraw/zinc/96/36/81/1441963681.db2.gz ZDVATLPVBSIOOG-SJKOYZFVSA-N -1 3 338.390 3.369 20 30 EGEDHM C=CCCC[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823894474 946503024 /nfs/dbraw/zinc/50/30/24/946503024.db2.gz QZJKTYMMFWRRRZ-SNVBAGLBSA-N -1 3 334.811 3.386 20 30 EGEDHM C=CCCC[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823894474 946503031 /nfs/dbraw/zinc/50/30/31/946503031.db2.gz QZJKTYMMFWRRRZ-SNVBAGLBSA-N -1 3 334.811 3.386 20 30 EGEDHM C#Cc1ccc(NCc2ccc(-c3nnn[n-]3)c(F)c2)c(Cl)c1 ZINC001573290572 946907229 /nfs/dbraw/zinc/90/72/29/946907229.db2.gz LRLPETNTAZILNT-UHFFFAOYSA-N -1 3 327.750 3.253 20 30 EGEDHM C#Cc1ccc(NCc2ccc(-c3nn[n-]n3)c(F)c2)c(Cl)c1 ZINC001573290572 946907233 /nfs/dbraw/zinc/90/72/33/946907233.db2.gz LRLPETNTAZILNT-UHFFFAOYSA-N -1 3 327.750 3.253 20 30 EGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001573341104 947523825 /nfs/dbraw/zinc/52/38/25/947523825.db2.gz GZLGEXYJGGFVSH-IAGOWNOFSA-N -1 3 339.443 3.064 20 30 EGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001573341104 947523838 /nfs/dbraw/zinc/52/38/38/947523838.db2.gz GZLGEXYJGGFVSH-IAGOWNOFSA-N -1 3 339.443 3.064 20 30 EGEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cnc1Cl ZINC000826266107 947769213 /nfs/dbraw/zinc/76/92/13/947769213.db2.gz CFOSYQHBXFSRIF-DJWKRKHSSA-N -1 3 343.749 3.259 20 30 EGEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cnc1Cl ZINC000826266107 947769222 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CCc1nc2ccccc2n1CC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053525091 214187845 /nfs/dbraw/zinc/18/78/45/214187845.db2.gz XVLOBHMBYYQHEV-UHFFFAOYSA-N -1 3 347.382 3.067 20 30 EGEDHM CCc1nc2ccccc2n1CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053525091 214187849 /nfs/dbraw/zinc/18/78/49/214187849.db2.gz XVLOBHMBYYQHEV-UHFFFAOYSA-N -1 3 347.382 3.067 20 30 EGEDHM COc1ccc(/C=C2\Cc3c(cccc3[O-])C2=O)c(OC)c1OC ZINC000011335929 211211813 /nfs/dbraw/zinc/21/18/13/211211813.db2.gz LGFJBJQIUJPQEC-FMIVXFBMSA-N -1 3 326.348 3.240 20 30 EGEDHM CCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1ccncc1C#N ZINC000344470088 141159198 /nfs/dbraw/zinc/15/91/98/141159198.db2.gz VGPFAWQZMDCEEA-UHFFFAOYSA-N -1 3 347.378 3.180 20 30 EGEDHM Cc1cc(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)sc1Cl ZINC000188060216 144168332 /nfs/dbraw/zinc/16/83/32/144168332.db2.gz QKZUGRUGRDKYHV-UHFFFAOYSA-N -1 3 344.820 3.199 20 30 EGEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000337425253 154347305 /nfs/dbraw/zinc/34/73/05/154347305.db2.gz AIDGLJCUJBKCMJ-UHFFFAOYSA-N -1 3 337.358 3.019 20 30 EGEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000337425253 154347309 /nfs/dbraw/zinc/34/73/09/154347309.db2.gz AIDGLJCUJBKCMJ-UHFFFAOYSA-N -1 3 337.358 3.019 20 30 EGEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000337425253 154347311 /nfs/dbraw/zinc/34/73/11/154347311.db2.gz AIDGLJCUJBKCMJ-UHFFFAOYSA-N -1 3 337.358 3.019 20 30 EGEDHM CCCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](C)CC ZINC000071873906 161645660 /nfs/dbraw/zinc/64/56/60/161645660.db2.gz OLJRESUKSRHWEJ-ZDUSSCGKSA-N -1 3 331.460 3.223 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)c(Cl)c1 ZINC000355639862 166268806 /nfs/dbraw/zinc/26/88/06/166268806.db2.gz XOMDTOZAHIVSAI-UHFFFAOYSA-N -1 3 346.839 3.222 20 30 EGEDHM N#Cc1cc(NCc2nnc(C(F)(F)F)[n-]2)ccc1C(F)(F)F ZINC000359708487 167212481 /nfs/dbraw/zinc/21/24/81/167212481.db2.gz VEDRWWJUXWPTIA-UHFFFAOYSA-N -1 3 335.211 3.326 20 30 EGEDHM N#Cc1cc(NCc2n[n-]c(C(F)(F)F)n2)ccc1C(F)(F)F ZINC000359708487 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EGEDHM [O-]c1c(O)ccc(C=NNc2ccc(OCC(F)(F)F)cc2)c1O ZINC000727262456 574656930 /nfs/dbraw/zinc/65/69/30/574656930.db2.gz QZYAFHKXHBIHLU-UHFFFAOYSA-N -1 3 342.273 3.191 20 30 EGEDHM [O-]c1cc(O)ccc1C=NNc1ccc(OCC(F)(F)F)cc1 ZINC000727262541 574656967 /nfs/dbraw/zinc/65/69/67/574656967.db2.gz SZUXOTHTMASDSK-UHFFFAOYSA-N -1 3 326.274 3.485 20 30 EGEDHM CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc([O-])c(C)c2)cs1 ZINC000728231612 574732004 /nfs/dbraw/zinc/73/20/04/574732004.db2.gz MCHGBKUKCHQZEH-VURMDHGXSA-N -1 3 330.409 3.426 20 30 EGEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)CO[N-]C(=O)C(C)(C)C ZINC000732805688 575289293 /nfs/dbraw/zinc/28/92/93/575289293.db2.gz GQEREFOMFVHODO-LBPRGKRZSA-N -1 3 349.456 3.113 20 30 EGEDHM Cc1ncc(C=CC([O-])=C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000732900485 575295165 /nfs/dbraw/zinc/29/51/65/575295165.db2.gz PCKSPSLDJFWGQF-NNNHXZLVSA-N -1 3 345.811 3.466 20 30 EGEDHM COc1cc(CN=Nc2cc(Cl)nc(C)n2)cc(Cl)c1[O-] ZINC000741764326 575376969 /nfs/dbraw/zinc/37/69/69/575376969.db2.gz 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ZINC000737316750 576203724 /nfs/dbraw/zinc/20/37/24/576203724.db2.gz MYJXMTDMIGBVIQ-GFCCVEGCSA-N -1 3 340.360 3.464 20 30 EGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2occc2s1 ZINC000737323630 576205605 /nfs/dbraw/zinc/20/56/05/576205605.db2.gz WCJDJDODGSNSAA-SNVBAGLBSA-N -1 3 340.360 3.464 20 30 EGEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCS[C@H](c3ccccc3)C2)cc1 ZINC000739105352 576378207 /nfs/dbraw/zinc/37/82/07/576378207.db2.gz KWSSCPMQXVKARO-ROUUACIJSA-N -1 3 338.432 3.474 20 30 EGEDHM CCOc1ccc(/C=N\[C@@H]2CCN(c3ccc(C)cc3)C2=O)c([O-])c1 ZINC000741465897 576688242 /nfs/dbraw/zinc/68/82/42/576688242.db2.gz ZGQZMJMMZNWINP-LZAZYHHXSA-N -1 3 338.407 3.324 20 30 EGEDHM Cc1nc(Cl)cc(N=NCc2ccc([O-])c(Br)c2)n1 ZINC000741767181 576718789 /nfs/dbraw/zinc/71/87/89/576718789.db2.gz RLXKLBQJGYNOOB-UHFFFAOYSA-N -1 3 341.596 3.353 20 30 EGEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc(C)sc1C ZINC000743448275 576809336 /nfs/dbraw/zinc/80/93/36/576809336.db2.gz HVHWDTFOAOSWTP-UHFFFAOYSA-N -1 3 336.482 3.251 20 30 EGEDHM C[C@H](CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CC1)C(=O)[O-] ZINC000827450354 601446940 /nfs/dbraw/zinc/44/69/40/601446940.db2.gz WADJUIQLEPIHDD-GFCCVEGCSA-N -1 3 325.330 3.242 20 30 EGEDHM COc1ccc([C@@H](NCc2ccccc2C(C)(C)C#N)C(=O)[O-])cc1 ZINC000832252012 604673364 /nfs/dbraw/zinc/67/33/64/604673364.db2.gz FTDHOJFQYUDGIZ-GOSISDBHSA-N -1 3 338.407 3.412 20 30 EGEDHM CC[C@@H](C#N)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820842041 606613707 /nfs/dbraw/zinc/61/37/07/606613707.db2.gz ISUIZPNQJZDIDN-INIZCTEOSA-N -1 3 348.366 3.069 20 30 EGEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cccc1[N+](=O)[O-] ZINC000822016281 606763314 /nfs/dbraw/zinc/76/33/14/606763314.db2.gz WVGGYBBMSFPGTF-WAYWQWQTSA-N -1 3 341.352 3.041 20 30 EGEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cccc1[N+](=O)[O-] ZINC000822016281 606763315 /nfs/dbraw/zinc/76/33/15/606763315.db2.gz WVGGYBBMSFPGTF-WAYWQWQTSA-N -1 3 341.352 3.041 20 30 EGEDHM N#Cc1c(CSc2cccc(-c3nnn[n-]3)c2)cn2ccccc12 ZINC000822819475 607010850 /nfs/dbraw/zinc/01/08/50/607010850.db2.gz SXLHRLDPCSHDHM-UHFFFAOYSA-N -1 3 332.392 3.283 20 30 EGEDHM N#Cc1c(CSc2cccc(-c3nn[n-]n3)c2)cn2ccccc12 ZINC000822819475 607010852 /nfs/dbraw/zinc/01/08/52/607010852.db2.gz SXLHRLDPCSHDHM-UHFFFAOYSA-N -1 3 332.392 3.283 20 30 EGEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cccc(-c2cccnc2)c1 ZINC000819718822 607170911 /nfs/dbraw/zinc/17/09/11/607170911.db2.gz RQBQRDKWOZKMAS-UHFFFAOYSA-N -1 3 341.378 3.375 20 30 EGEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cccc(-c2cccnc2)c1 ZINC000819718822 607170912 /nfs/dbraw/zinc/17/09/12/607170912.db2.gz RQBQRDKWOZKMAS-UHFFFAOYSA-N -1 3 341.378 3.375 20 30 EGEDHM CCCCCCCCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000825270819 607854502 /nfs/dbraw/zinc/85/45/02/607854502.db2.gz DVUXSVMYGYGFRN-UHFFFAOYSA-N -1 3 330.436 3.026 20 30 EGEDHM CCCCCCCCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000825270819 607854503 /nfs/dbraw/zinc/85/45/03/607854503.db2.gz DVUXSVMYGYGFRN-UHFFFAOYSA-N -1 3 330.436 3.026 20 30 EGEDHM C[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccc(C#N)c1 ZINC000824662025 608229475 /nfs/dbraw/zinc/22/94/75/608229475.db2.gz ALFSCGMNSJDEIB-GFCCVEGCSA-N -1 3 341.378 3.460 20 30 EGEDHM C[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1cccc(C#N)c1 ZINC000824662025 608229477 /nfs/dbraw/zinc/22/94/77/608229477.db2.gz ALFSCGMNSJDEIB-GFCCVEGCSA-N -1 3 341.378 3.460 20 30 EGEDHM C#CCN(Cc1cccc(-c2nnn[n-]2)c1F)[C@@H]1CCc2ccccc21 ZINC000823850350 608387955 /nfs/dbraw/zinc/38/79/55/608387955.db2.gz OHRKKSZVUBKHPM-GOSISDBHSA-N -1 3 347.397 3.129 20 30 EGEDHM C#CCN(Cc1cccc(-c2nn[n-]n2)c1F)[C@@H]1CCc2ccccc21 ZINC000823850350 608387958 /nfs/dbraw/zinc/38/79/58/608387958.db2.gz OHRKKSZVUBKHPM-GOSISDBHSA-N -1 3 347.397 3.129 20 30 EGEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(F)cc1 ZINC000825029477 608538584 /nfs/dbraw/zinc/53/85/84/608538584.db2.gz UAPUSZTZVTWBDO-UHFFFAOYSA-N -1 3 345.769 3.280 20 30 EGEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)cc1 ZINC000825029477 608538586 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ZINC001148218770 1379134768 /nfs/dbraw/zinc/13/47/68/1379134768.db2.gz KOYHNHFFHLNAEK-UHFFFAOYSA-N -1 3 330.771 3.307 20 30 EGEDHM C[C@H](C#N)c1cccc(C(=O)Nc2ncc([O-])cc2Br)c1 ZINC001148610625 1379224746 /nfs/dbraw/zinc/22/47/46/1379224746.db2.gz QRAYWCKXXXYUIV-SECBINFHSA-N -1 3 346.184 3.429 20 30 EGEDHM CC(C)(C)CC(C)(C)NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154559545 1380305401 /nfs/dbraw/zinc/30/54/01/1380305401.db2.gz OKGZYWUDONSOFX-UHFFFAOYSA-N -1 3 325.412 3.344 20 30 EGEDHM [O-]N=C(Nc1nccc2nc[nH]c21)c1ccc(OC(F)(F)F)cc1 ZINC001163765349 1383120107 /nfs/dbraw/zinc/12/01/07/1383120107.db2.gz QMTIVAIWXIIQQS-UHFFFAOYSA-N -1 3 337.261 3.104 20 30 EGEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC3(CC(F)C3)CC2)n1 ZINC001165308599 1383270831 /nfs/dbraw/zinc/27/08/31/1383270831.db2.gz AJPYQSDYFDLSQQ-CAOOACKPSA-N -1 3 344.843 3.379 20 30 EGEDHM N#Cc1cc([N-]c2nonc2-c2cn3ccncc3n2)ccc1Cl ZINC001174402370 1385105639 /nfs/dbraw/zinc/10/56/39/1385105639.db2.gz FYSKAZZDAPHJOU-UHFFFAOYSA-N -1 3 337.730 3.048 20 30 EGEDHM COc1ccc2[nH]c(C)c(CC(=O)Nc3ccc([O-])c(C#N)c3)c2c1 ZINC001181198511 1386957842 /nfs/dbraw/zinc/95/78/42/1386957842.db2.gz JFHPAUZDTSUGNG-UHFFFAOYSA-N -1 3 335.363 3.243 20 30 EGEDHM N#Cc1cc(NC(=O)CCC(=O)c2ccc(F)cc2F)ccc1[O-] ZINC001181466571 1386999100 /nfs/dbraw/zinc/99/91/00/1386999100.db2.gz NYWDUBUNARABLS-UHFFFAOYSA-N -1 3 330.290 3.144 20 30 EGEDHM CCCN(CCCSCC#N)Cc1nc(=O)c2sccc2[n-]1 ZINC001340897508 1390400000 /nfs/dbraw/zinc/40/00/00/1390400000.db2.gz HCCBEUGPDCRSCL-UHFFFAOYSA-N -1 3 336.486 3.256 20 30 EGEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)c(C)c2)n1 ZINC001343125890 1390693136 /nfs/dbraw/zinc/69/31/36/1390693136.db2.gz IHOIXJLYINOGGH-GFCCVEGCSA-N -1 3 344.392 3.127 20 30 EGEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC001345647321 1390871750 /nfs/dbraw/zinc/87/17/50/1390871750.db2.gz WGQFHZFXSOINLQ-HNNXBMFYSA-N -1 3 333.395 3.400 20 30 EGEDHM CCn1ccnc1C(C#N)=C([O-])c1cn(CC(C)C)nc1C(F)F ZINC001346096163 1390907332 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CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825639464 947268929 /nfs/dbraw/zinc/26/89/29/947268929.db2.gz WTBIAZFOARDIPE-YHYXMXQVSA-N -1 3 338.342 3.301 20 30 EGEDHM C=CC[C@@H]1N(C(=O)c2cc(-c3nnn[n-]3)ccc2C)CCCC1(C)C ZINC001573329348 947417964 /nfs/dbraw/zinc/41/79/64/947417964.db2.gz HZAIQLBEGPWENX-INIZCTEOSA-N -1 3 339.443 3.382 20 30 EGEDHM C=CC[C@@H]1N(C(=O)c2cc(-c3nn[n-]n3)ccc2C)CCCC1(C)C ZINC001573329348 947417972 /nfs/dbraw/zinc/41/79/72/947417972.db2.gz HZAIQLBEGPWENX-INIZCTEOSA-N -1 3 339.443 3.382 20 30 EGEDHM C=CCCCCCCCNC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573335523 947480517 /nfs/dbraw/zinc/48/05/17/947480517.db2.gz QJZRKVSURWTSFB-UHFFFAOYSA-N -1 3 331.395 3.262 20 30 EGEDHM C=CCCCCCCCNC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573335523 947480522 /nfs/dbraw/zinc/48/05/22/947480522.db2.gz QJZRKVSURWTSFB-UHFFFAOYSA-N -1 3 331.395 3.262 20 30 EGEDHM C[C@@H](CC#N)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001574471439 949537656 /nfs/dbraw/zinc/53/76/56/949537656.db2.gz MUELAPDGRHMWDB-LBPRGKRZSA-N -1 3 348.366 3.147 20 30 EGEDHM C[C@@H](CC#N)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001574471439 949537678 /nfs/dbraw/zinc/53/76/78/949537678.db2.gz MUELAPDGRHMWDB-LBPRGKRZSA-N -1 3 348.366 3.147 20 30 EGEDHM C=CCOc1cccc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000901786318 980516781 /nfs/dbraw/zinc/51/67/81/980516781.db2.gz KMBYFUNDJPHTOK-OAHLLOKOSA-N -1 3 329.318 3.090 20 30 EGEDHM C=C[C@H](C(=O)[O-])N1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001588663701 983796146 /nfs/dbraw/zinc/79/61/46/983796146.db2.gz JPUAEMNWCQKJGD-ZIAGYGMSSA-N -1 3 343.345 3.497 20 30 EGEDHM CC1=NN(c2ccc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)cc2)CC1 ZINC000053527578 214187514 /nfs/dbraw/zinc/18/75/14/214187514.db2.gz VPHANPSVPIKELC-UHFFFAOYSA-N -1 3 347.382 3.089 20 30 EGEDHM CC1=NN(c2ccc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)cc2)CC1 ZINC000053527578 214187516 /nfs/dbraw/zinc/18/75/16/214187516.db2.gz VPHANPSVPIKELC-UHFFFAOYSA-N -1 3 347.382 3.089 20 30 EGEDHM CC1=NN(c2ccc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)cc2)CC1 ZINC000053527578 214187518 /nfs/dbraw/zinc/18/75/18/214187518.db2.gz VPHANPSVPIKELC-UHFFFAOYSA-N -1 3 347.382 3.089 20 30 EGEDHM COC(=O)Nc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1[O-] ZINC000495954537 269702199 /nfs/dbraw/zinc/70/21/99/269702199.db2.gz RFPGGFMURGRWDP-NSHDSACASA-N -1 3 340.335 3.360 20 30 EGEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2C)C2CC2)s1 ZINC000173490939 144043393 /nfs/dbraw/zinc/04/33/93/144043393.db2.gz AUEPZFVNZVNBOA-HNNXBMFYSA-N -1 3 347.465 3.061 20 30 EGEDHM Cc1cc(Cl)c([N-]S(=O)(=O)c2cncc(C#N)c2)cc1Cl ZINC000315067974 154156577 /nfs/dbraw/zinc/15/65/77/154156577.db2.gz ASDUHAWXVVBTKK-UHFFFAOYSA-N -1 3 342.207 3.369 20 30 EGEDHM COC(=O)c1scc(C)c1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000336875080 154226703 /nfs/dbraw/zinc/22/67/03/154226703.db2.gz AEZVQQFDWLLPEB-UHFFFAOYSA-N -1 3 336.319 3.245 20 30 EGEDHM C[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000112708034 162185829 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N#Cc1ccc(NCc2nc(C(F)(F)F)n[n-]2)c(C(F)(F)F)c1 ZINC000359691689 167211708 /nfs/dbraw/zinc/21/17/08/167211708.db2.gz ZZMPAHIVCDWNDQ-UHFFFAOYSA-N -1 3 335.211 3.326 20 30 EGEDHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000360350662 167308661 /nfs/dbraw/zinc/30/86/61/167308661.db2.gz BAZAIYQUJAFMLU-PWSUYJOCSA-N -1 3 346.374 3.292 20 30 EGEDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443312090 267180210 /nfs/dbraw/zinc/18/02/10/267180210.db2.gz MZWOAZYGYHPIQR-JTQLQIEISA-N -1 3 332.878 3.022 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccco1)C(C)C ZINC000298343170 267620586 /nfs/dbraw/zinc/62/05/86/267620586.db2.gz DADXFTRMFAMUFA-UHFFFAOYSA-N -1 3 341.411 3.239 20 30 EGEDHM N#Cc1ccnc(NCc2ccc([O-])c(Br)c2)c1Cl ZINC000436645297 268194421 /nfs/dbraw/zinc/19/44/21/268194421.db2.gz AERAFSQAALJTIX-UHFFFAOYSA-N -1 3 338.592 3.109 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCCC2)s1 ZINC000435426952 268255176 /nfs/dbraw/zinc/25/51/76/268255176.db2.gz 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Cc1ncc(CO)c(/C=N/C[C@@H]2CCCO[C@@H]2c2ccccc2)c1[O-] ZINC000299204493 456631046 /nfs/dbraw/zinc/63/10/46/456631046.db2.gz CCOHIQOSOZVTPU-YYSLLMGBSA-N -1 3 340.423 3.175 20 30 EGEDHM CCc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)ccc1[O-] ZINC000291487740 456658886 /nfs/dbraw/zinc/65/88/86/456658886.db2.gz NPYDGHGKSRDSSN-UHFFFAOYSA-N -1 3 349.434 3.179 20 30 EGEDHM C#CC[C@@]1(C(=O)Nc2ccccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000277463849 456835042 /nfs/dbraw/zinc/83/50/42/456835042.db2.gz PBQYRQSNKBHVIH-IBGZPJMESA-N -1 3 344.411 3.124 20 30 EGEDHM Cc1c(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccn1C(C)C ZINC000344922712 456872008 /nfs/dbraw/zinc/87/20/08/456872008.db2.gz SOJNMMCQXUSDPO-OAHLLOKOSA-N -1 3 325.416 3.185 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c(C(F)(F)F)c1 ZINC000341703979 456907673 /nfs/dbraw/zinc/90/76/73/456907673.db2.gz DAQNUSMQGWPUDC-NSHDSACASA-N -1 3 344.358 3.212 20 30 EGEDHM C[C@@]1(c2cccc(NC(=O)C3CCC(=O)CC3)c2)NC(=O)[N-]C1=O ZINC000329815119 456944898 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C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000383882526 457425316 /nfs/dbraw/zinc/42/53/16/457425316.db2.gz RWFFFBDOZVSCLS-UHFFFAOYSA-N -1 3 338.292 3.391 20 30 EGEDHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CC(F)(F)C(F)(F)C1 ZINC000457925942 457870671 /nfs/dbraw/zinc/87/06/71/457870671.db2.gz KBEFYRCBNSUKIA-UHFFFAOYSA-N -1 3 331.187 3.137 20 30 EGEDHM C=CCc1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc(OC)c1O ZINC000426804637 457905496 /nfs/dbraw/zinc/90/54/96/457905496.db2.gz VLIMGTQJBKEWHN-QGZVFWFLSA-N -1 3 345.370 3.184 20 30 EGEDHM C=CC[C@@H]1N(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)CCCC1(C)C ZINC000445164394 458021896 /nfs/dbraw/zinc/02/18/96/458021896.db2.gz LMUWFVMBYLUXPP-NSHDSACASA-N -1 3 342.390 3.042 20 30 EGEDHM C=CC[C@H]1N(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)CCCC1(C)C ZINC000445164377 458022089 /nfs/dbraw/zinc/02/20/89/458022089.db2.gz LMUWFVMBYLUXPP-LLVKDONJSA-N -1 3 342.390 3.042 20 30 EGEDHM N#CC(=C([O-])c1ccc2oc(=O)[nH]c2c1)c1cc(C(F)(F)F)ccn1 ZINC000362127999 458032606 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C[C@@H](CC#N)NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430560684 458462619 /nfs/dbraw/zinc/46/26/19/458462619.db2.gz XEZRCRUDOSBVMI-ZDUSSCGKSA-N -1 3 347.374 3.352 20 30 EGEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000452023598 458492843 /nfs/dbraw/zinc/49/28/43/458492843.db2.gz OEVUJOFJKAKDCQ-LBPRGKRZSA-N -1 3 345.873 3.160 20 30 EGEDHM Cc1oc(C#N)cc1C(=O)N=c1cc(-c2cc(C)c(C)cc2C)[n-][nH]1 ZINC000438255655 458553794 /nfs/dbraw/zinc/55/37/94/458553794.db2.gz HJDRNQRNRANHGH-UHFFFAOYSA-N -1 3 334.379 3.449 20 30 EGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCc2ccc(Cl)cc2)C1 ZINC000424206088 458584102 /nfs/dbraw/zinc/58/41/02/458584102.db2.gz GOKJPBCUEHCDDQ-CZUORRHYSA-N -1 3 340.876 3.274 20 30 EGEDHM CCOC(=O)c1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC000462124135 458596341 /nfs/dbraw/zinc/59/63/41/458596341.db2.gz YZPRJIYUZUMGPO-GFCCVEGCSA-N -1 3 338.363 3.183 20 30 EGEDHM Cc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c([O-])c1C ZINC000548812531 458874182 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C=CCN(C)CCN(CC)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001573360255 963034961 /nfs/dbraw/zinc/03/49/61/963034961.db2.gz KSZMTWOOLSBYNG-HNNXBMFYSA-N -1 3 328.815 3.045 20 30 EGEDHM C[C@H](C#N)Oc1ccc(CN[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001589335459 986211292 /nfs/dbraw/zinc/21/12/92/986211292.db2.gz RFUCUOJDBFUXIS-BFUOFWGJSA-N -1 3 342.370 3.206 20 30 EGEDHM CC(C)(C)c1cccc(OCCCN2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001590498966 990111181 /nfs/dbraw/zinc/11/11/81/990111181.db2.gz NIZDEUCJFZJKTP-UHFFFAOYSA-N -1 3 344.455 3.443 20 30 EGEDHM COc1cccc([C@H](NCc2cc(Cl)cc(C#N)c2)C(=O)[O-])c1 ZINC001599687760 991014116 /nfs/dbraw/zinc/01/41/16/991014116.db2.gz BABAHZIOLNGUDS-INIZCTEOSA-N -1 3 330.771 3.136 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2CC[C@@H]1C ZINC000072704606 216296040 /nfs/dbraw/zinc/29/60/40/216296040.db2.gz UEVFPSMBWGAGMJ-ZDUSSCGKSA-N -1 3 349.434 3.164 20 30 EGEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000328596712 258042288 /nfs/dbraw/zinc/04/22/88/258042288.db2.gz RXSMITDTKMTUQZ-UHFFFAOYSA-N -1 3 325.339 3.010 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cc2cccc(F)c2o1 ZINC000344753375 144220455 /nfs/dbraw/zinc/22/04/55/144220455.db2.gz MUQPREULWCDNRY-VIFPVBQESA-N -1 3 334.328 3.076 20 30 EGEDHM COCc1ccccc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000351827917 144312554 /nfs/dbraw/zinc/31/25/54/144312554.db2.gz SLYHGIARYSPVST-UHFFFAOYSA-N -1 3 336.800 3.159 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000171517368 227120040 /nfs/dbraw/zinc/12/00/40/227120040.db2.gz QRMFXGVJXAYJLW-HZPDHXFCSA-N -1 3 343.471 3.127 20 30 EGEDHM Cc1csc([C@H]([N-]S(=O)(=O)c2cccc(C)c2C#N)C2CC2)n1 ZINC000122272531 222051118 /nfs/dbraw/zinc/05/11/18/222051118.db2.gz MFSPWBNLXMEMMR-OAHLLOKOSA-N -1 3 347.465 3.061 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000525672067 270059530 /nfs/dbraw/zinc/05/95/30/270059530.db2.gz HVPOINCCFIJCGR-ARFHVFGLSA-N -1 3 341.455 3.293 20 30 EGEDHM COc1ccc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)nn1 ZINC000297996366 266871581 /nfs/dbraw/zinc/87/15/81/266871581.db2.gz YEZHPTVCYCJEOR-ZJUUUORDSA-N -1 3 342.424 3.356 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000271451828 267622978 /nfs/dbraw/zinc/62/29/78/267622978.db2.gz YYYZPRFXMQCCSG-ZDUSSCGKSA-N -1 3 341.455 3.247 20 30 EGEDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)ccc1C#N ZINC000443892424 268017602 /nfs/dbraw/zinc/01/76/02/268017602.db2.gz VNCHQMHMJWARPM-CQSZACIVSA-N -1 3 346.374 3.266 20 30 EGEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(/C=C\c2ccco2)s1 ZINC000436162693 268103518 /nfs/dbraw/zinc/10/35/18/268103518.db2.gz PBZPONYUCPGEIX-PLNGDYQASA-N -1 3 326.337 3.327 20 30 EGEDHM Cc1ccc(-c2nsc([N-]C(=O)c3ccc(C#N)cn3)n2)s1 ZINC000107473595 275172600 /nfs/dbraw/zinc/17/26/00/275172600.db2.gz JMEZHWNOHBEOKW-UHFFFAOYSA-N -1 3 327.394 3.094 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cc2ccccc2o1 ZINC000156225301 307828973 /nfs/dbraw/zinc/82/89/73/307828973.db2.gz ILCZZJNKRNNPHY-NSHDSACASA-N -1 3 344.367 3.483 20 30 EGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000092865397 454647094 /nfs/dbraw/zinc/64/70/94/454647094.db2.gz ZQHUNGSBGZDSFI-UHFFFAOYSA-N -1 3 330.400 3.247 20 30 EGEDHM Cc1cc(S(=O)(=O)[N-]CCc2cccc(C#N)c2)sc1Cl ZINC000564514173 316160206 /nfs/dbraw/zinc/16/02/06/316160206.db2.gz QJVZTYIAVNDDCA-UHFFFAOYSA-N -1 3 340.857 3.103 20 30 EGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCc2cccs2)c1 ZINC000564696472 316188877 /nfs/dbraw/zinc/18/88/77/316188877.db2.gz MDKIQKVVFCSDKC-UHFFFAOYSA-N -1 3 340.857 3.184 20 30 EGEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC000424214074 458584983 /nfs/dbraw/zinc/58/49/83/458584983.db2.gz WKUCLUYBBFURGG-OAHLLOKOSA-N -1 3 328.865 3.130 20 30 EGEDHM CC(C)OC(=O)C[C@@H](/N=C/c1ccc(O)c([O-])c1O)c1ccccc1 ZINC000016937064 453624464 /nfs/dbraw/zinc/62/44/64/453624464.db2.gz IVEWTUVELAWALW-PZUDMAOCSA-N -1 3 343.379 3.305 20 30 EGEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCCC[C@H]1C ZINC000066416079 453843394 /nfs/dbraw/zinc/84/33/94/453843394.db2.gz ACEOKABPSLIYRX-ACJLOTCBSA-N -1 3 343.471 3.223 20 30 EGEDHM COc1cccc(SCC(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000075138031 453865737 /nfs/dbraw/zinc/86/57/37/453865737.db2.gz TUIQZMQIJBKGQN-UHFFFAOYSA-N -1 3 330.369 3.454 20 30 EGEDHM COc1cccc(SCC(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000075138031 453865741 /nfs/dbraw/zinc/86/57/41/453865741.db2.gz TUIQZMQIJBKGQN-UHFFFAOYSA-N -1 3 330.369 3.454 20 30 EGEDHM COc1cccc(SCC(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000075138031 453865745 /nfs/dbraw/zinc/86/57/45/453865745.db2.gz TUIQZMQIJBKGQN-UHFFFAOYSA-N -1 3 330.369 3.454 20 30 EGEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cnc(-c2ccccc2)nc1 ZINC000066899895 453884434 /nfs/dbraw/zinc/88/44/34/453884434.db2.gz OTTBCSQQOPGDQF-UHFFFAOYSA-N -1 3 332.323 3.158 20 30 EGEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cnc(-c2ccccc2)nc1 ZINC000066899895 453884438 /nfs/dbraw/zinc/88/44/38/453884438.db2.gz OTTBCSQQOPGDQF-UHFFFAOYSA-N -1 3 332.323 3.158 20 30 EGEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cnc(-c2ccccc2)nc1 ZINC000066899895 453884440 /nfs/dbraw/zinc/88/44/40/453884440.db2.gz OTTBCSQQOPGDQF-UHFFFAOYSA-N -1 3 332.323 3.158 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2csc(Br)c2)nc(C)n1 ZINC000041560387 453972137 /nfs/dbraw/zinc/97/21/37/453972137.db2.gz JMCAECKGTLNWDT-JTQLQIEISA-N -1 3 336.214 3.408 20 30 EGEDHM CC(C)(C)CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000056052667 454035049 /nfs/dbraw/zinc/03/50/49/454035049.db2.gz RHQCXYYSMXCQTN-UHFFFAOYSA-N -1 3 334.363 3.292 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(F)c(Br)c2)nc(C)n1 ZINC000076822001 454040833 /nfs/dbraw/zinc/04/08/33/454040833.db2.gz RNWOHHNJVASQSK-LLVKDONJSA-N -1 3 348.175 3.485 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC/C=C\c1ccccc1 ZINC000072709544 454332068 /nfs/dbraw/zinc/33/20/68/454332068.db2.gz PXIXMWROIVBCBU-TWGQIWQCSA-N -1 3 336.391 3.053 20 30 EGEDHM C=CCOc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000133150745 454397848 /nfs/dbraw/zinc/39/78/48/454397848.db2.gz KJHSYMCRKNUXBJ-UHFFFAOYSA-N -1 3 331.343 3.035 20 30 EGEDHM COc1cc(/C=C2/COc3c(C)cccc3C2=O)cc(OC)c1[O-] ZINC000063279339 454400754 /nfs/dbraw/zinc/40/07/54/454400754.db2.gz QDTPNBXPTBTTPC-QPEQYQDCSA-N -1 3 326.348 3.377 20 30 EGEDHM N#Cc1ccccc1OCc1ccc(C(=O)Nc2ncccc2[O-])o1 ZINC000048268751 454464927 /nfs/dbraw/zinc/46/49/27/454464927.db2.gz KEWXKKMMJSFPJV-UHFFFAOYSA-N -1 3 335.319 3.083 20 30 EGEDHM N#Cc1cc2c(nc1[N-]C(=O)c1noc3c1CCCCC3)CCCC2 ZINC000134028255 454494315 /nfs/dbraw/zinc/49/43/15/454494315.db2.gz XBZMMHZTLHGTCQ-UHFFFAOYSA-N -1 3 336.395 3.341 20 30 EGEDHM C=CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000123047196 454595448 /nfs/dbraw/zinc/59/54/48/454595448.db2.gz OGLAJWRKIAFCGW-KRWDZBQOSA-N -1 3 334.375 3.008 20 30 EGEDHM N#CCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000124423035 454731451 /nfs/dbraw/zinc/73/14/51/454731451.db2.gz KXFCLQPQOZSNIX-HNNXBMFYSA-N -1 3 336.363 3.288 20 30 EGEDHM C=CCN(Cc1ccccc1F)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000162142989 454754479 /nfs/dbraw/zinc/75/44/79/454754479.db2.gz UUKRWYNWGNKYIV-UHFFFAOYSA-N -1 3 345.370 3.377 20 30 EGEDHM Cc1nc(S(=O)(=O)CCCC(C)(C)C#N)[n-]c1Cc1ccccc1 ZINC000176953768 454803665 /nfs/dbraw/zinc/80/36/65/454803665.db2.gz KHGLVDATVDELME-UHFFFAOYSA-N -1 3 345.468 3.413 20 30 EGEDHM Cc1[n-]c(S(=O)(=O)CCCC(C)(C)C#N)nc1Cc1ccccc1 ZINC000176953768 454803669 /nfs/dbraw/zinc/80/36/69/454803669.db2.gz KHGLVDATVDELME-UHFFFAOYSA-N -1 3 345.468 3.413 20 30 EGEDHM N#Cc1cccc(NCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000153676140 454819757 /nfs/dbraw/zinc/81/97/57/454819757.db2.gz HUSDCPRNUKDBRO-UHFFFAOYSA-N -1 3 335.285 3.333 20 30 EGEDHM Cc1ccc(Cl)cc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000126305995 454884433 /nfs/dbraw/zinc/88/44/33/454884433.db2.gz XCXJXJPGYKDOOT-AWEZNQCLSA-N -1 3 328.803 3.456 20 30 EGEDHM C=CCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175768931 455494902 /nfs/dbraw/zinc/49/49/02/455494902.db2.gz CVHVLSNTRTYBMH-UHFFFAOYSA-N -1 3 336.819 3.189 20 30 EGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000178497941 454957840 /nfs/dbraw/zinc/95/78/40/454957840.db2.gz WYIBPOJJJDFVGT-CQSZACIVSA-N -1 3 348.424 3.213 20 30 EGEDHM N#CC1(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])CCOCC1 ZINC000179810442 455082603 /nfs/dbraw/zinc/08/26/03/455082603.db2.gz KQZAYFIQNASOFE-UHFFFAOYSA-N -1 3 336.391 3.242 20 30 EGEDHM COc1cc(/C=C\C(=O)Nc2c(C)cccc2[O-])ccc1OCC#N ZINC000255332301 455865621 /nfs/dbraw/zinc/86/56/21/455865621.db2.gz OPOREGHTOFYNSS-CLFYSBASSA-N -1 3 338.363 3.264 20 30 EGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000194689969 455874051 /nfs/dbraw/zinc/87/40/51/455874051.db2.gz IBYPHGWNMAEGJA-NHYWBVRUSA-N -1 3 344.839 3.371 20 30 EGEDHM C=C(C)[C@@H](CC(=O)NCc1ccc([O-])c(Br)c1)OCC ZINC000270196656 455899980 /nfs/dbraw/zinc/89/99/80/455899980.db2.gz IQSNYHGQILQMBO-CQSZACIVSA-N -1 3 342.233 3.142 20 30 EGEDHM Cc1ccc([C@H](CNC(=O)c2ccc(C#N)c([O-])c2)N2CCCC2)cc1 ZINC000187673758 455936906 /nfs/dbraw/zinc/93/69/06/455936906.db2.gz KLMUYINNSGKKCA-IBGZPJMESA-N -1 3 349.434 3.139 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2cnc3c(F)ccc(F)c3c2)nc(C)n1 ZINC000344727764 456852620 /nfs/dbraw/zinc/85/26/20/456852620.db2.gz MBHOBGXLDRMXJB-ZDUSSCGKSA-N -1 3 338.317 3.410 20 30 EGEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H]1c1ccccc1 ZINC000339008976 456898781 /nfs/dbraw/zinc/89/87/81/456898781.db2.gz OUUMHIJIEUDGNQ-SJLPKXTDSA-N -1 3 344.411 3.169 20 30 EGEDHM C[C@@]1(c2ccc(CNC(=O)C3CCC(=O)CC3)cc2)NC(=O)[N-]C1=O ZINC000329836861 456948597 /nfs/dbraw/zinc/94/85/97/456948597.db2.gz HZMILHZPPKSVNU-SFHVURJKSA-N -1 3 343.383 3.002 20 30 EGEDHM O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1csc(=O)[n-]1 ZINC000329923455 456961307 /nfs/dbraw/zinc/96/13/07/456961307.db2.gz UKVDXGWFLGOOCN-UHFFFAOYSA-N -1 3 340.351 3.137 20 30 EGEDHM N#C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1F ZINC000345371261 456976739 /nfs/dbraw/zinc/97/67/39/456976739.db2.gz AQBLUAUATOHUAP-MRXNPFEDSA-N -1 3 330.334 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C=C(C)Cc1cccc(-c2nnc(Nc3cnn(C)c3)n2CC)c1[O-] ZINC001339799241 1390151214 /nfs/dbraw/zinc/15/12/14/1390151214.db2.gz KZBRSCYYOXPZNP-UHFFFAOYSA-N -1 3 338.415 3.266 20 30 EGEDHM CC1CCN(c2ccc(C([O-])=C(C#N)c3cccc(F)n3)cn2)CC1 ZINC001342660041 1390637823 /nfs/dbraw/zinc/63/78/23/1390637823.db2.gz RUWXGYAZDCXBBI-OAHLLOKOSA-N -1 3 338.386 3.342 20 30 EGEDHM Cn1ccnc1C(C#N)=C([O-])c1c(Cl)cccc1OCC1CC1 ZINC001343705300 1390732196 /nfs/dbraw/zinc/73/21/96/1390732196.db2.gz QJBPMLXDDYIXHE-GFCCVEGCSA-N -1 3 329.787 3.352 20 30 EGEDHM N#CC(=C([O-])c1ccc2c(c1)CCC2)c1nc(N)c2ccccc2n1 ZINC001343983905 1390748289 /nfs/dbraw/zinc/74/82/89/1390748289.db2.gz ZPYPPAFAMKLXNT-INIZCTEOSA-N -1 3 328.375 3.191 20 30 EGEDHM CCn1ccnc1C(C#N)=C([O-])c1cnn(CC(C)C)c1C(F)F ZINC001345645923 1390872019 /nfs/dbraw/zinc/87/20/19/1390872019.db2.gz CIICEQXXZMVYCM-LLVKDONJSA-N -1 3 335.358 3.183 20 30 EGEDHM CCn1ncc(C([O-])=C(C#N)c2nc3c(cccc3Cl)[nH]2)c1C ZINC001345673344 1390874639 /nfs/dbraw/zinc/87/46/39/1390874639.db2.gz MDNILMWNYYBUOD-JTQLQIEISA-N -1 3 327.775 3.231 20 30 EGEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CC)C[C@@H](C)CC ZINC001345973831 1390898312 /nfs/dbraw/zinc/89/83/12/1390898312.db2.gz LKSDZGBTQJYORO-ZDUSSCGKSA-N -1 3 344.463 3.198 20 30 EGEDHM C=C(C)Cc1cccc(-c2nnc(N(C)OC)n2CC(=C)C)c1[O-] ZINC001346635708 1390964491 /nfs/dbraw/zinc/96/44/91/1390964491.db2.gz DALLSRHVQNJDTB-UHFFFAOYSA-N -1 3 328.416 3.343 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCc1ccsc1 ZINC001347534088 1391088738 /nfs/dbraw/zinc/08/87/38/1391088738.db2.gz FOMUZFDBIJYIAH-UHFFFAOYSA-N -1 3 343.452 3.019 20 30 EGEDHM C=C(Cl)CNCc1ccc(CNC(=O)c2ccccc2[O-])c(F)c1 ZINC001725831554 1426510003 /nfs/dbraw/zinc/51/00/03/1426510003.db2.gz PWAUCXUSJRGEKR-UHFFFAOYSA-N -1 3 348.805 3.303 20 30 EGEDHM C=CCC1(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573329507 947420961 /nfs/dbraw/zinc/42/09/61/947420961.db2.gz KKDWFPWHWSWNKJ-MDZDMXLPSA-N -1 3 337.427 3.133 20 30 EGEDHM C=CCC1(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573329507 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C[C@H](C#N)Oc1ccc(CN2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC001589335422 986210178 /nfs/dbraw/zinc/21/01/78/986210178.db2.gz QLVVFAJXGVNOBF-CQSZACIVSA-N -1 3 336.391 3.234 20 30 EGEDHM N#Cc1ccc(CN[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])c(F)c1 ZINC001601101916 1126222023 /nfs/dbraw/zinc/22/20/23/1126222023.db2.gz QKTAAVBPRJUJFM-KRWDZBQOSA-N -1 3 338.338 3.229 20 30 EGEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3cccc4c[nH]nc43)on2)c1 ZINC000344350155 164161878 /nfs/dbraw/zinc/16/18/78/164161878.db2.gz QJAHXVFGGVZOET-UHFFFAOYSA-N -1 3 329.319 3.342 20 30 EGEDHM N#Cc1cnccc1[N-]C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000344374543 164166404 /nfs/dbraw/zinc/16/64/04/164166404.db2.gz NWHLAIVMJJLBFN-UHFFFAOYSA-N -1 3 340.795 3.404 20 30 EGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc32)c1 ZINC000355847568 166326437 /nfs/dbraw/zinc/32/64/37/166326437.db2.gz UZIRGYQNKZLYRD-AWEZNQCLSA-N -1 3 346.839 3.220 20 30 EGEDHM N#Cc1ccc(NCc2nnc(C(F)(F)F)[n-]2)cc1C(F)(F)F ZINC000359688055 167209610 /nfs/dbraw/zinc/20/96/10/167209610.db2.gz QQRKGKTXZVEHLH-UHFFFAOYSA-N -1 3 335.211 3.326 20 30 EGEDHM N#Cc1ccc(NCc2n[n-]c(C(F)(F)F)n2)cc1C(F)(F)F ZINC000359688055 167209614 /nfs/dbraw/zinc/20/96/14/167209614.db2.gz QQRKGKTXZVEHLH-UHFFFAOYSA-N -1 3 335.211 3.326 20 30 EGEDHM N#Cc1ccc(NCc2nc(C(F)(F)F)n[n-]2)cc1C(F)(F)F ZINC000359688055 167209619 /nfs/dbraw/zinc/20/96/19/167209619.db2.gz QQRKGKTXZVEHLH-UHFFFAOYSA-N -1 3 335.211 3.326 20 30 EGEDHM N#Cc1c([N-]C(=O)c2ncoc2-c2ccc(F)cc2)n[nH]c1C1CC1 ZINC000359719830 167213738 /nfs/dbraw/zinc/21/37/38/167213738.db2.gz SZWDGZKQAFUOPH-UHFFFAOYSA-N -1 3 337.314 3.205 20 30 EGEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3cccc([N+](=O)[O-])c3)on2)c1 ZINC000436275743 269970365 /nfs/dbraw/zinc/97/03/65/269970365.db2.gz QBKYAERCZYANDS-UHFFFAOYSA-N -1 3 334.291 3.374 20 30 EGEDHM CCN(c1cccc([O-])c1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000190359356 266142436 /nfs/dbraw/zinc/14/24/36/266142436.db2.gz JXUNQUHAPORYNS-UHFFFAOYSA-N -1 3 336.800 3.132 20 30 EGEDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180085368 266347985 /nfs/dbraw/zinc/34/79/85/266347985.db2.gz WIEAEVRZBISQCK-STQMWFEESA-N -1 3 344.889 3.164 20 30 EGEDHM CCCNc1ccc(C#N)cc1NC(=O)c1cc(OC)ccc1[O-] ZINC000436591346 267025427 /nfs/dbraw/zinc/02/54/27/267025427.db2.gz PVGBVFUTGQWCAB-UHFFFAOYSA-N -1 3 325.368 3.347 20 30 EGEDHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443356388 267179912 /nfs/dbraw/zinc/17/99/12/267179912.db2.gz CZXNLQPTCTXZRS-ZIAGYGMSSA-N -1 3 342.461 3.040 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)cc1Cl ZINC000499653373 268256321 /nfs/dbraw/zinc/25/63/21/268256321.db2.gz LUQSIYBTNSAEJO-SNVBAGLBSA-N -1 3 348.802 3.315 20 30 EGEDHM Cc1ccc2c(c1)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2 ZINC000110395386 281075259 /nfs/dbraw/zinc/07/52/59/281075259.db2.gz GJCVVKMTCAPJSI-UHFFFAOYSA-N -1 3 349.434 3.084 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cc(Cl)ccc1Cl ZINC000553517517 315267695 /nfs/dbraw/zinc/26/76/95/315267695.db2.gz OZQAYKVXEGSDFO-QMMMGPOBSA-N -1 3 345.207 3.498 20 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N#Cc1cccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1 ZINC000075789611 453926756 /nfs/dbraw/zinc/92/67/56/453926756.db2.gz IDKWTZMLJUASPX-CQSZACIVSA-N -1 3 340.326 3.140 20 30 EGEDHM C=C(C)CN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000075938805 453940555 /nfs/dbraw/zinc/94/05/55/453940555.db2.gz HEIKDEVMXBCNGU-UHFFFAOYSA-N -1 3 330.453 3.495 20 30 EGEDHM CSc1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000120306194 454284948 /nfs/dbraw/zinc/28/49/48/454284948.db2.gz RUBQMIMCYCNQNM-UHFFFAOYSA-N -1 3 341.436 3.157 20 30 EGEDHM COc1cccc(CO[C@@H](C)C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000079034243 454359206 /nfs/dbraw/zinc/35/92/06/454359206.db2.gz NLWNMRASPRYTGV-NSHDSACASA-N -1 3 342.355 3.267 20 30 EGEDHM COc1cccc(CO[C@@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000079034243 454359210 /nfs/dbraw/zinc/35/92/10/454359210.db2.gz NLWNMRASPRYTGV-NSHDSACASA-N -1 3 342.355 3.267 20 30 EGEDHM COc1cccc(CO[C@@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000079034243 454359216 /nfs/dbraw/zinc/35/92/16/454359216.db2.gz NLWNMRASPRYTGV-NSHDSACASA-N -1 3 342.355 3.267 20 30 EGEDHM O=C(Cc1ccc(-n2cccc2)cc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000048290619 454468870 /nfs/dbraw/zinc/46/88/70/454468870.db2.gz GWXOFZHUAXYBPF-UHFFFAOYSA-N -1 3 344.378 3.488 20 30 EGEDHM O=C(Cc1ccc(-n2cccc2)cc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000048290619 454468874 /nfs/dbraw/zinc/46/88/74/454468874.db2.gz GWXOFZHUAXYBPF-UHFFFAOYSA-N -1 3 344.378 3.488 20 30 EGEDHM O=C(Cc1ccc(-n2cccc2)cc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000048290619 454468877 /nfs/dbraw/zinc/46/88/77/454468877.db2.gz GWXOFZHUAXYBPF-UHFFFAOYSA-N -1 3 344.378 3.488 20 30 EGEDHM CCN(CC)c1ccc(/C=N/c2ccc3oc(=O)n(C)c3c2)c([O-])c1 ZINC000102200128 454495252 /nfs/dbraw/zinc/49/52/52/454495252.db2.gz ZQXJPSSZCSJUEO-UDWIEESQSA-N -1 3 339.395 3.434 20 30 EGEDHM Cc1nn(Cc2ccccc2)c(C)c1C([O-])=C(C#N)c1ccccn1 ZINC000049456919 454549664 /nfs/dbraw/zinc/54/96/64/454549664.db2.gz DGPRJOOJRZHWHC-KRWDZBQOSA-N -1 3 330.391 3.433 20 30 EGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(C(F)(F)F)nc1 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Cc1cc(F)cc2c1[n-]cc(C(=O)N(C)Cc1ccc(C#N)cc1)c2=O ZINC000155378043 454993516 /nfs/dbraw/zinc/99/35/16/454993516.db2.gz FGUZPZFMELRMRU-UHFFFAOYSA-N -1 3 349.365 3.120 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccc(F)cc1F ZINC000152262900 455093753 /nfs/dbraw/zinc/09/37/53/455093753.db2.gz PNNFQQJRXXASMY-ZDUSSCGKSA-N -1 3 338.317 3.344 20 30 EGEDHM CC(C)Oc1ccc(C#N)cc1NC([O-])=NOCCC(F)(F)F ZINC000156852889 455153259 /nfs/dbraw/zinc/15/32/59/455153259.db2.gz NFSOEHSWKVTNHI-UHFFFAOYSA-N -1 3 331.294 3.351 20 30 EGEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)[N-]OCCC(F)(F)F ZINC000156852889 455153260 /nfs/dbraw/zinc/15/32/60/455153260.db2.gz NFSOEHSWKVTNHI-UHFFFAOYSA-N -1 3 331.294 3.351 20 30 EGEDHM N#CCCn1ccc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000173698090 455328254 /nfs/dbraw/zinc/32/82/54/455328254.db2.gz UXYKSGISUHZVLP-UHFFFAOYSA-N -1 3 346.390 3.345 20 30 EGEDHM N#CC(=C([O-])c1cnc(OCC2CC2)c(Cl)c1)c1ccccn1 ZINC000181484784 455341881 /nfs/dbraw/zinc/34/18/81/455341881.db2.gz XQBLVJNEMXXRDL-CYBMUJFWSA-N -1 3 327.771 3.409 20 30 EGEDHM Cc1oc2ccccc2c1C[N-]S(=O)(=O)c1ccccc1C#N ZINC000184330222 455370680 /nfs/dbraw/zinc/37/06/80/455370680.db2.gz JHACSWPLJFTARO-UHFFFAOYSA-N -1 3 326.377 3.091 20 30 EGEDHM O=C(/C=C/c1cc([O-])cc(F)c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000184758439 455443952 /nfs/dbraw/zinc/44/39/52/455443952.db2.gz TWPWCDFEPRLLDH-LZCJLJQNSA-N -1 3 341.382 3.389 20 30 EGEDHM C=CCOc1cccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000184816674 455453394 /nfs/dbraw/zinc/45/33/94/455453394.db2.gz UHCOKRJVZSYWFT-UHFFFAOYSA-N -1 3 348.380 3.102 20 30 EGEDHM Cc1cc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c(F)cc1F ZINC000161108002 455534887 /nfs/dbraw/zinc/53/48/87/455534887.db2.gz OLHCEZXNOVLFLE-AWEZNQCLSA-N -1 3 328.384 3.024 20 30 EGEDHM N#C[C@@H]1CSCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000271712434 455730073 /nfs/dbraw/zinc/73/00/73/455730073.db2.gz JHJIQAXADIZRJC-MRXNPFEDSA-N -1 3 338.432 3.064 20 30 EGEDHM C[C@H]1CCN(C(=O)Cc2ccc(OCC#N)cc2)c2c([O-])cccc21 ZINC000186306658 455739798 /nfs/dbraw/zinc/73/97/98/455739798.db2.gz IAVRAYHDGDXMOQ-AWEZNQCLSA-N -1 3 336.391 3.377 20 30 EGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000186438171 455769012 /nfs/dbraw/zinc/76/90/12/455769012.db2.gz LXKBFXBASGCIQX-VIFPVBQESA-N -1 3 340.754 3.329 20 30 EGEDHM N#CC1([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)CCCCC1 ZINC000194653701 455869119 /nfs/dbraw/zinc/86/91/19/455869119.db2.gz SFJCAHCKKVRSNV-UHFFFAOYSA-N -1 3 330.812 3.125 20 30 EGEDHM C=C(C)[C@@H](CC(=O)Nc1cc(Br)ccc1[O-])OCC ZINC000270518638 455974743 /nfs/dbraw/zinc/97/47/43/455974743.db2.gz YLAVQBBUINSDLZ-CYBMUJFWSA-N -1 3 328.206 3.465 20 30 EGEDHM COc1ccc([C@@H](C)/N=C/c2ccc(O)c([O-])c2O)c(C)c1OC ZINC000287039609 456060338 /nfs/dbraw/zinc/06/03/38/456060338.db2.gz HTEPIBJRFFWCSQ-YXZFXQPTSA-N -1 3 331.368 3.309 20 30 EGEDHM C[C@@H](c1cccc(C#N)c1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281263935 456182832 /nfs/dbraw/zinc/18/28/32/456182832.db2.gz HQISENHJYMBJQC-LBPRGKRZSA-N -1 3 339.361 3.010 20 30 EGEDHM CSCCON=C([O-])Nc1ccccc1SC[C@H](C)C#N ZINC000281335816 456205161 /nfs/dbraw/zinc/20/51/61/456205161.db2.gz JXNKIZVIWMVQCP-LLVKDONJSA-N -1 3 325.459 3.354 20 30 EGEDHM CSCCO[N-]C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000281335816 456205169 /nfs/dbraw/zinc/20/51/69/456205169.db2.gz JXNKIZVIWMVQCP-LLVKDONJSA-N -1 3 325.459 3.354 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000273239979 456220850 /nfs/dbraw/zinc/22/08/50/456220850.db2.gz TXKSHJFQFCCTAI-QTSCZPSSSA-N -1 3 344.386 3.066 20 30 EGEDHM C=CCCCCNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000274696254 456264160 /nfs/dbraw/zinc/26/41/60/456264160.db2.gz WRQNTPPWFDESBN-UHFFFAOYSA-N -1 3 345.443 3.109 20 30 EGEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1csc(CO)n1 ZINC000601134540 460724913 /nfs/dbraw/zinc/72/49/13/460724913.db2.gz IORJVXPFYMVJNA-JTQLQIEISA-N -1 3 333.438 3.282 20 30 EGEDHM CCn1nc(C)c(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)n1 ZINC000297848234 456308401 /nfs/dbraw/zinc/30/84/01/456308401.db2.gz NQLFLNBDLRJDFL-ZJUUUORDSA-N -1 3 343.456 3.478 20 30 EGEDHM Cn1nc(C(F)F)c2cc(C(=O)[N-]c3ccncc3C#N)sc21 ZINC000348192628 456526943 /nfs/dbraw/zinc/52/69/43/456526943.db2.gz IJIHKOVMSSDBJU-UHFFFAOYSA-N -1 3 333.323 3.091 20 30 EGEDHM COc1cncc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)n1 ZINC000277296911 456766023 /nfs/dbraw/zinc/76/60/23/456766023.db2.gz ROPKLFPXZIXANY-NSHDSACASA-N -1 3 328.397 3.132 20 30 EGEDHM COc1ccccc1-c1nc(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)n[n-]1 ZINC000328905253 456788338 /nfs/dbraw/zinc/78/83/38/456788338.db2.gz AQAXUNDMWBHTSZ-WDEREUQCSA-N -1 3 328.372 3.074 20 30 EGEDHM CN(Cc1cccc(C#N)c1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344526552 456834590 /nfs/dbraw/zinc/83/45/90/456834590.db2.gz VLNXJTKUJXNVIX-UHFFFAOYSA-N -1 3 326.371 3.384 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2cnc3c(F)ccc(F)c3c2)nc(C)n1 ZINC000344727763 456852374 /nfs/dbraw/zinc/85/23/74/456852374.db2.gz MBHOBGXLDRMXJB-CYBMUJFWSA-N -1 3 338.317 3.410 20 30 EGEDHM C[C@]1(C[C@@H]2CCCN2C(=O)NC2CCCCCC2)NC(=O)[N-]C1=O ZINC000329352337 456877185 /nfs/dbraw/zinc/87/71/85/456877185.db2.gz FQSMGHHJPAYBSR-SUMWQHHRSA-N -1 3 336.436 3.121 20 30 EGEDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000329528057 456904860 /nfs/dbraw/zinc/90/48/60/456904860.db2.gz SKYCOLSDMZHMLK-DFAYQTQMSA-N -1 3 331.290 3.051 20 30 EGEDHM C=CCSCCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000339132390 456956118 /nfs/dbraw/zinc/95/61/18/456956118.db2.gz JKLWGAYCBKTXJT-UHFFFAOYSA-N -1 3 344.440 3.198 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1c(F)cccc1F ZINC000345629799 456986112 /nfs/dbraw/zinc/98/61/12/456986112.db2.gz AAONPPGOWDSBAW-GFCCVEGCSA-N -1 3 338.317 3.344 20 30 EGEDHM N#CC(=C([O-])c1cccc(C(=O)Nc2ccccc2)c1)c1ccncn1 ZINC000354053928 457034265 /nfs/dbraw/zinc/03/42/65/457034265.db2.gz PYTHSAYMPNZQAD-KRWDZBQOSA-N -1 3 342.358 3.219 20 30 EGEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)c1 ZINC000331228553 457150307 /nfs/dbraw/zinc/15/03/07/457150307.db2.gz FSXWMNDXSMLBKV-WBVHZDCISA-N -1 3 334.416 3.249 20 30 EGEDHM COc1cc(C([O-])=C(C#N)c2ccncn2)cc(OC)c1C(C)C ZINC000354459555 457236636 /nfs/dbraw/zinc/23/66/36/457236636.db2.gz DZNDHLKMGYOMPJ-CYBMUJFWSA-N -1 3 325.368 3.107 20 30 EGEDHM CCOc1c(Cl)cc(C([O-])=C(C#N)c2ccncn2)cc1OC ZINC000354458528 457237020 /nfs/dbraw/zinc/23/70/20/457237020.db2.gz BOULOBFYBLEIQM-LLVKDONJSA-N -1 3 331.759 3.027 20 30 EGEDHM CC(C)n1cc(Br)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354466908 457241772 /nfs/dbraw/zinc/24/17/72/457241772.db2.gz NKKRQPSBYJNMFZ-NSHDSACASA-N -1 3 333.189 3.112 20 30 EGEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000352142371 457341578 /nfs/dbraw/zinc/34/15/78/457341578.db2.gz JNJHIQJXDYKAKC-UHFFFAOYSA-N -1 3 340.754 3.187 20 30 EGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000360794787 457357064 /nfs/dbraw/zinc/35/70/64/457357064.db2.gz DVMLUPQSVVRBQM-UHFFFAOYSA-N -1 3 348.811 3.256 20 30 EGEDHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c2cnn(C(C)C)c2n1 ZINC000347347573 457366799 /nfs/dbraw/zinc/36/67/99/457366799.db2.gz UNZVNXSCBIHPAU-OAHLLOKOSA-N -1 3 348.410 3.218 20 30 EGEDHM N#Cc1ccccc1OC1CCC(NC(=O)c2cccc([O-])c2)CC1 ZINC000357352648 457466968 /nfs/dbraw/zinc/46/69/68/457466968.db2.gz JHEOJBLWEWIELQ-UHFFFAOYSA-N -1 3 336.391 3.384 20 30 EGEDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c([O-])c1O ZINC000364696386 457675640 /nfs/dbraw/zinc/67/56/40/457675640.db2.gz BPWGBNAHWDXKKK-DLBZAZTESA-N -1 3 336.391 3.318 20 30 EGEDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000444212263 457868848 /nfs/dbraw/zinc/86/88/48/457868848.db2.gz KJHJSLVNFAGASW-ONGXEEELSA-N -1 3 332.347 3.044 20 30 EGEDHM N#CCCCOc1cccc(CNCc2ccccc2CC(=O)[O-])c1 ZINC000426713330 457883245 /nfs/dbraw/zinc/88/32/45/457883245.db2.gz DZFPHYSMKFFSJD-UHFFFAOYSA-N -1 3 338.407 3.286 20 30 EGEDHM N#CC(=C([O-])c1ccnn1CC(F)F)c1ccc(C(F)(F)F)cn1 ZINC000434617424 458021965 /nfs/dbraw/zinc/02/19/65/458021965.db2.gz TYVNKCXEQNBASS-SECBINFHSA-N -1 3 344.243 3.052 20 30 EGEDHM N#CC(=C([O-])c1cn2ccccc2n1)c1nc(-c2ccncc2)cs1 ZINC000358626608 458116428 /nfs/dbraw/zinc/11/64/28/458116428.db2.gz LZZKIOKABINYJQ-ZDUSSCGKSA-N -1 3 345.387 3.343 20 30 EGEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3ccnc4ccncc34)on2)c1 ZINC000447498787 458300969 /nfs/dbraw/zinc/30/09/69/458300969.db2.gz NBPLUCUFMMKEKL-UHFFFAOYSA-N -1 3 341.330 3.409 20 30 EGEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(OC)c1[O-] ZINC000436629675 458347962 /nfs/dbraw/zinc/34/79/62/458347962.db2.gz WSQHNURIHLBBPD-UHFFFAOYSA-N -1 3 343.427 3.397 20 30 EGEDHM C=CC[C@@H]1N(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CCCC1(C)C ZINC000447833490 458351436 /nfs/dbraw/zinc/35/14/36/458351436.db2.gz ONJMZBNIRLCHHV-JTQLQIEISA-N -1 3 345.369 3.100 20 30 EGEDHM C=CC[C@@H]1N(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CCCC1(C)C ZINC000447833490 458351438 /nfs/dbraw/zinc/35/14/38/458351438.db2.gz ONJMZBNIRLCHHV-JTQLQIEISA-N -1 3 345.369 3.100 20 30 EGEDHM C=CC[C@@H]1N(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CCCC1(C)C ZINC000447833490 458351443 /nfs/dbraw/zinc/35/14/43/458351443.db2.gz ONJMZBNIRLCHHV-JTQLQIEISA-N -1 3 345.369 3.100 20 30 EGEDHM C=C[C@H](CCC(=O)[O-])NCc1cnc(CCc2ccccc2)s1 ZINC000417605740 458366457 /nfs/dbraw/zinc/36/64/57/458366457.db2.gz CETYASNFUFGOKO-OAHLLOKOSA-N -1 3 330.453 3.437 20 30 EGEDHM C=C(C)[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccc(F)c(F)c1 ZINC000506037147 458749870 /nfs/dbraw/zinc/74/98/70/458749870.db2.gz FZYKSFBRLXFCNQ-OAHLLOKOSA-N -1 3 346.312 3.422 20 30 EGEDHM C=C(C)[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccc(F)c(F)c1 ZINC000506037147 458749880 /nfs/dbraw/zinc/74/98/80/458749880.db2.gz FZYKSFBRLXFCNQ-OAHLLOKOSA-N -1 3 346.312 3.422 20 30 EGEDHM C=C(C)[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(F)c(F)c1 ZINC000506037147 458749883 /nfs/dbraw/zinc/74/98/83/458749883.db2.gz FZYKSFBRLXFCNQ-OAHLLOKOSA-N -1 3 346.312 3.422 20 30 EGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C#N)c(Cl)c3)nc1-2 ZINC000548631706 458873503 /nfs/dbraw/zinc/87/35/03/458873503.db2.gz LMPUZLCSPGGXFJ-GFCCVEGCSA-N -1 3 335.754 3.281 20 30 EGEDHM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1CCC(C)C ZINC000442041378 458988984 /nfs/dbraw/zinc/98/89/84/458988984.db2.gz HFLFDTIFKKBDJG-HNNXBMFYSA-N -1 3 325.416 3.135 20 30 EGEDHM Cc1ccccc1CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443109324 459089344 /nfs/dbraw/zinc/08/93/44/459089344.db2.gz YHZAKESNAKQXPA-UHFFFAOYSA-N -1 3 334.828 3.041 20 30 EGEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1)C1CCCC1 ZINC000594696945 459132253 /nfs/dbraw/zinc/13/22/53/459132253.db2.gz UFOIVYWGZOMKCB-HNNXBMFYSA-N -1 3 342.848 3.159 20 30 EGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594769371 459153598 /nfs/dbraw/zinc/15/35/98/459153598.db2.gz VZVOJEOAWSTPAW-LBPRGKRZSA-N -1 3 333.438 3.052 20 30 EGEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496451449 459198213 /nfs/dbraw/zinc/19/82/13/459198213.db2.gz BRZTWZBPMYRDDT-KGLIPLIRSA-N -1 3 340.464 3.282 20 30 EGEDHM Cn1nnc2cc(C([O-])=C(C#N)c3ccc4ccccc4n3)ccc21 ZINC000591020051 459294712 /nfs/dbraw/zinc/29/47/12/459294712.db2.gz HEAWFFJSDICZHN-CQSZACIVSA-N -1 3 327.347 3.007 20 30 EGEDHM N#CC(=C([O-])c1ccc2c(c1)CCCC2=O)c1nnc2n1CCCCC2 ZINC000560350007 459328314 /nfs/dbraw/zinc/32/83/14/459328314.db2.gz DXOFDNKGGLGJLX-MRXNPFEDSA-N -1 3 348.406 3.014 20 30 EGEDHM C=CCCOCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000534512255 459330136 /nfs/dbraw/zinc/33/01/36/459330136.db2.gz VZTMLSSGSLIMDG-UHFFFAOYSA-N -1 3 338.256 3.173 20 30 EGEDHM CC(C)(C#N)c1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000562321970 459537503 /nfs/dbraw/zinc/53/75/03/459537503.db2.gz KJMXBFCJNFTHNX-UHFFFAOYSA-N -1 3 330.351 3.476 20 30 EGEDHM C#C[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1ccc(Cl)cc1 ZINC000491640200 459644241 /nfs/dbraw/zinc/64/42/41/459644241.db2.gz XSHITWYWMJIJFK-OAHLLOKOSA-N -1 3 336.782 3.229 20 30 EGEDHM C#C[C@@H](NC(=O)c1cn[n-]c1-c1ccccn1)c1ccc(Cl)cc1 ZINC000491640200 459644254 /nfs/dbraw/zinc/64/42/54/459644254.db2.gz XSHITWYWMJIJFK-OAHLLOKOSA-N -1 3 336.782 3.229 20 30 EGEDHM N#CC(=C([O-])c1cnc2n1CCCCC2)c1cnc2ccccc2n1 ZINC000621717331 460021755 /nfs/dbraw/zinc/02/17/55/460021755.db2.gz ARUJDKQIUVUBHP-CYBMUJFWSA-N -1 3 331.379 3.043 20 30 EGEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc3n2CCCC3)s1 ZINC000576110814 460073049 /nfs/dbraw/zinc/07/30/49/460073049.db2.gz NTIPZVOPGUWWAF-NSHDSACASA-N -1 3 328.441 3.463 20 30 EGEDHM COc1cccc2c1O[C@H](c1ccc(F)c(C#N)c1Cl)[N-]C2=O ZINC000602759616 460110146 /nfs/dbraw/zinc/11/01/46/460110146.db2.gz OGAQIZHLNDCQSV-MRXNPFEDSA-N -1 3 332.718 3.180 20 30 EGEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000611114300 460290691 /nfs/dbraw/zinc/29/06/91/460290691.db2.gz GEGOIQSAGSAIJP-CYBMUJFWSA-N -1 3 335.454 3.027 20 30 EGEDHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccccc2CC#N)on1 ZINC000601357254 460793839 /nfs/dbraw/zinc/79/38/39/460793839.db2.gz PBIPKDYPEBEQCH-UHFFFAOYSA-N -1 3 347.440 3.123 20 30 EGEDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(C)cc(F)cc1C#N ZINC000601392965 460803610 /nfs/dbraw/zinc/80/36/10/460803610.db2.gz XMPMCERKEOSLGW-NSHDSACASA-N -1 3 338.326 3.015 20 30 EGEDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000601713693 460881359 /nfs/dbraw/zinc/88/13/59/460881359.db2.gz FZGHCJCYSXFNGD-UHFFFAOYSA-N -1 3 328.347 3.051 20 30 EGEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000660142508 461607177 /nfs/dbraw/zinc/60/71/77/461607177.db2.gz GHRAAGCQKLDVRZ-UHFFFAOYSA-N -1 3 337.363 3.450 20 30 EGEDHM C=C[C@@H](CCC(=O)[O-])NCc1cnn(Cc2ccccc2Cl)c1 ZINC000669477895 461695865 /nfs/dbraw/zinc/69/58/65/461695865.db2.gz FIRLPXJUVNGOCM-HNNXBMFYSA-N -1 3 333.819 3.094 20 30 EGEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1OCCC ZINC000656932610 461941346 /nfs/dbraw/zinc/94/13/46/461941346.db2.gz VXCKIUVBKHDQQN-JTQLQIEISA-N -1 3 348.262 3.091 20 30 EGEDHM N#CC(=C([O-])c1ccc2ncccc2c1)c1nnc2n1CCCCC2 ZINC000179000209 547042057 /nfs/dbraw/zinc/04/20/57/547042057.db2.gz INRKPBFXSODZPH-OAHLLOKOSA-N -1 3 331.379 3.043 20 30 EGEDHM O=C(C/N=C\c1cc(Cl)ccc1[O-])N1CCc2ccccc2C1 ZINC000726428397 574552734 /nfs/dbraw/zinc/55/27/34/574552734.db2.gz AGXCVELRTMXQKH-JMIUGGIZSA-N -1 3 328.799 3.049 20 30 EGEDHM CCN1c2ccc(C)cc2C(=N[N-]c2cnc3ccccc3n2)C1=O ZINC000727256857 574655840 /nfs/dbraw/zinc/65/58/40/574655840.db2.gz WXTSUJJTFGIDFW-UHFFFAOYSA-N -1 3 331.379 3.121 20 30 EGEDHM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([O-])cc1F ZINC000729931589 574897290 /nfs/dbraw/zinc/89/72/90/574897290.db2.gz NKZWGJVSQBSWHP-UHFFFAOYSA-N -1 3 334.263 3.184 20 30 EGEDHM CCC(N=Nc1ccc(C)nn1)c1cc(Br)ccc1[O-] ZINC000729935564 574897380 /nfs/dbraw/zinc/89/73/80/574897380.db2.gz DYXUHQYQGXBMMD-UHFFFAOYSA-N -1 3 335.205 3.479 20 30 EGEDHM COc1cc(OC)c(CC/N=C/c2c([O-])cccc2OC)c(OC)c1 ZINC000730952124 575037246 /nfs/dbraw/zinc/03/72/46/575037246.db2.gz SKIWWTVUZAIXJD-UDWIEESQSA-N -1 3 345.395 3.088 20 30 EGEDHM CC1(C)Cc2cccc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)c2O1 ZINC000736215094 575917444 /nfs/dbraw/zinc/91/74/44/575917444.db2.gz UEIMXFUHSJWURI-MDZDMXLPSA-N -1 3 346.390 3.476 20 30 EGEDHM CC1(C)Cc2cccc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)c2O1 ZINC000736215094 575917446 /nfs/dbraw/zinc/91/74/46/575917446.db2.gz UEIMXFUHSJWURI-MDZDMXLPSA-N -1 3 346.390 3.476 20 30 EGEDHM CC(C)c1ccc(OCCN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736520413 575977007 /nfs/dbraw/zinc/97/70/07/575977007.db2.gz GSSCACRKNQETRX-LJQANCHMSA-N -1 3 338.407 3.476 20 30 EGEDHM CCn1c(C)cc2c1CCC[C@H]2N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737294485 576200446 /nfs/dbraw/zinc/20/04/46/576200446.db2.gz SOLKIYCKQSVLCG-IEBWSBKVSA-N -1 3 337.423 3.481 20 30 EGEDHM Cc1c(C(=O)C=Cc2cc(C)ccc2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737322226 576205646 /nfs/dbraw/zinc/20/56/46/576205646.db2.gz KMESENLRMDLMNU-CMDGGOBGSA-N -1 3 347.422 3.436 20 30 EGEDHM Cc1c(C(=O)C=Cc2cc(C)ccc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737322226 576205648 /nfs/dbraw/zinc/20/56/48/576205648.db2.gz KMESENLRMDLMNU-CMDGGOBGSA-N -1 3 347.422 3.436 20 30 EGEDHM COC(=O)[C@H](C/N=C\c1cc(Br)ccc1[O-])CC(C)C ZINC000741464070 576688344 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CCN(C)c1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821165839 606306714 /nfs/dbraw/zinc/30/67/14/606306714.db2.gz XAGVDDTWOPARJJ-CMDGGOBGSA-N -1 3 339.424 3.280 20 30 EGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(-n2cccn2)cc1 ZINC000822923763 606391728 /nfs/dbraw/zinc/39/17/28/606391728.db2.gz UBYSZMNCXRYYQI-VURMDHGXSA-N -1 3 348.391 3.010 20 30 EGEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000826177188 608231033 /nfs/dbraw/zinc/23/10/33/608231033.db2.gz VYPQESMHELBTNW-ALCCZGGFSA-N -1 3 342.305 3.050 20 30 EGEDHM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000826177188 608231035 /nfs/dbraw/zinc/23/10/35/608231035.db2.gz VYPQESMHELBTNW-ALCCZGGFSA-N -1 3 342.305 3.050 20 30 EGEDHM Cc1cc(F)ccc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000823953593 608538039 /nfs/dbraw/zinc/53/80/39/608538039.db2.gz ILEUBBUYESAIHQ-UHFFFAOYSA-N -1 3 345.769 3.199 20 30 EGEDHM Cc1cc(F)ccc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000823953593 608538040 /nfs/dbraw/zinc/53/80/40/608538040.db2.gz 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/nfs/dbraw/zinc/88/15/54/608881554.db2.gz ONGRMILGBHNDMI-MKMNVTDBSA-N -1 3 342.717 3.275 20 30 EGEDHM C#CCCCCCC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823840998 609523081 /nfs/dbraw/zinc/52/30/81/609523081.db2.gz HLZRPAADQBYRCO-OAHLLOKOSA-N -1 3 339.443 3.360 20 30 EGEDHM C#CCCCCCC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823840998 609523083 /nfs/dbraw/zinc/52/30/83/609523083.db2.gz HLZRPAADQBYRCO-OAHLLOKOSA-N -1 3 339.443 3.360 20 30 EGEDHM Cc1cc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)ccc1F ZINC000769812094 1303179301 /nfs/dbraw/zinc/17/93/01/1303179301.db2.gz KXMDQIJRWKHPIN-UHFFFAOYSA-N -1 3 342.378 3.180 20 30 EGEDHM CN(C)C(=O)COc1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000044012479 1291467229 /nfs/dbraw/zinc/46/72/29/1291467229.db2.gz LIDAVURQRWTPBD-RGVLZGJSSA-N -1 3 346.814 3.132 20 30 EGEDHM COc1cc(C(=O)/C=C/c2ccc3c(c2)CCO3)c(OC)cc1[O-] ZINC000122501078 1293415568 /nfs/dbraw/zinc/41/55/68/1293415568.db2.gz ZVBNMZDMJSKORJ-HWKANZROSA-N -1 3 326.348 3.240 20 30 EGEDHM C=CCC[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CC1 ZINC000159698217 1294244828 /nfs/dbraw/zinc/24/48/28/1294244828.db2.gz GRKVJWKYGBONMK-QGZVFWFLSA-N -1 3 328.412 3.084 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCC1CCCCC1 ZINC000174652784 1294513362 /nfs/dbraw/zinc/51/33/62/1294513362.db2.gz KCKHFJODPURLGH-UHFFFAOYSA-N -1 3 330.428 3.310 20 30 EGEDHM COCc1cccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC000177906995 1294702028 /nfs/dbraw/zinc/70/20/28/1294702028.db2.gz IRBMWIOASPGHAY-BQYQJAHWSA-N -1 3 328.364 3.452 20 30 EGEDHM CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cs1 ZINC000205708324 1296093107 /nfs/dbraw/zinc/09/31/07/1296093107.db2.gz DQSWXMJTJJEDCK-VURMDHGXSA-N -1 3 346.408 3.126 20 30 EGEDHM COc1cc(/C=C\C(=O)c2cccc([O-])c2)c([N+](=O)[O-])cc1OC ZINC000213697434 1296110238 /nfs/dbraw/zinc/11/02/38/1296110238.db2.gz LQLHCDZUUVAQES-SREVYHEPSA-N -1 3 329.308 3.214 20 30 EGEDHM C=C[C@H](CCC(=O)[O-])NCc1c(C)ccc(Br)c1F ZINC000871878263 1296586695 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CCc1nc2ccccc2n1N=Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000767372535 1302653340 /nfs/dbraw/zinc/65/33/40/1302653340.db2.gz FVGKPCWHFDYSTG-UHFFFAOYSA-N -1 3 340.339 3.103 20 30 EGEDHM O=C1c2ccccc2CCN1N=Cc1cc(Br)ccc1[O-] ZINC000769591550 1303144365 /nfs/dbraw/zinc/14/43/65/1303144365.db2.gz AOKNBMJBIUMXNM-UHFFFAOYSA-N -1 3 345.196 3.187 20 30 EGEDHM N#Cc1cc(Cl)ccc1CO[N-]C(=O)CCOc1ccccc1 ZINC000774761267 1303856783 /nfs/dbraw/zinc/85/67/83/1303856783.db2.gz JKBZMJQKICHYAJ-UHFFFAOYSA-N -1 3 330.771 3.229 20 30 EGEDHM CCOc1ccc(C#N)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775055163 1303895774 /nfs/dbraw/zinc/89/57/74/1303895774.db2.gz AFEWDOJVCKHMOQ-UHFFFAOYSA-N -1 3 343.339 3.191 20 30 EGEDHM Cc1ncc(CO)c(/C=N/C[C@H](c2ccccc2)C(F)(F)F)c1[O-] ZINC000776722464 1304187933 /nfs/dbraw/zinc/18/79/33/1304187933.db2.gz QKKIIVWHOWAZHQ-JURJYWISSA-N -1 3 338.329 3.353 20 30 EGEDHM COc1ccc(NN=C(C)c2ccc(Br)cc2[O-])nc1 ZINC000780268221 1304668475 /nfs/dbraw/zinc/66/84/75/1304668475.db2.gz GKISCLBCJQPACF-UHFFFAOYSA-N -1 3 336.189 3.394 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC1(c2ccccc2)CC1 ZINC000781751539 1304868796 /nfs/dbraw/zinc/86/87/96/1304868796.db2.gz QTBNHZVSXHLSGE-UHFFFAOYSA-N -1 3 336.391 3.441 20 30 EGEDHM CC(C)Cn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000781767684 1304872459 /nfs/dbraw/zinc/87/24/59/1304872459.db2.gz WQDNZOOSAKVFQB-ZDUSSCGKSA-N -1 3 344.802 3.154 20 30 EGEDHM Cc1cccc(C/N=C\c2c([O-])c(C)ncc2CO)c1Br ZINC000787139414 1305696483 /nfs/dbraw/zinc/69/64/83/1305696483.db2.gz SKJFUAWWPXWZGO-LSCVHKIXSA-N -1 3 349.228 3.278 20 30 EGEDHM Cc1nn(C)c(/C=C/C(=O)c2ccc([O-])c(C)c2)c1Br ZINC000790600990 1306358344 /nfs/dbraw/zinc/35/83/44/1306358344.db2.gz PSQALEHBSLFKBW-FNORWQNLSA-N -1 3 335.201 3.401 20 30 EGEDHM C=CCC1(O)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895828765 1309542315 /nfs/dbraw/zinc/54/23/15/1309542315.db2.gz YCFLGCHLFIGCCM-UHFFFAOYSA-N -1 3 344.224 3.197 20 30 EGEDHM O=C1c2ccccc2C(=O)N1CCC/N=C/c1cc(Cl)ccc1[O-] ZINC000794676624 1309571543 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COc1ncccc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379687 1317413947 /nfs/dbraw/zinc/41/39/47/1317413947.db2.gz CBJUFNSOSOKWSO-UHFFFAOYSA-N -1 3 327.167 3.429 20 30 EGEDHM C[C@H](C#N)Oc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000806562487 1317501990 /nfs/dbraw/zinc/50/19/90/1317501990.db2.gz JLRXJRPEGYWKRT-JBQRSBCVSA-N -1 3 344.374 3.293 20 30 EGEDHM C#CCCOc1ccc(CN[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000904004949 1317766950 /nfs/dbraw/zinc/76/69/50/1317766950.db2.gz IAORIBANMUXDBA-MRXNPFEDSA-N -1 3 329.421 3.456 20 30 EGEDHM C[C@@]1(CCC(=O)N([O-])Cc2cccc3ccccc32)CCC(=O)N1 ZINC000904171548 1317802590 /nfs/dbraw/zinc/80/25/90/1317802590.db2.gz PIOZPEHKHSTNOJ-IBGZPJMESA-N -1 3 326.396 3.007 20 30 EGEDHM Cn1cc([C@@H]2C[C@H]2C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cn1 ZINC000904179673 1317805074 /nfs/dbraw/zinc/80/50/74/1317805074.db2.gz ALAKLTOHQWVBSA-UONOGXRCSA-N -1 3 340.210 3.248 20 30 EGEDHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181266 1317806176 /nfs/dbraw/zinc/80/61/76/1317806176.db2.gz RZSAPSDMMONKAN-CHWSQXEVSA-N -1 3 340.210 3.248 20 30 EGEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)c2ccc3ccccc3c2)c1 ZINC000811187578 1318120236 /nfs/dbraw/zinc/12/02/36/1318120236.db2.gz JFYXIWVTLWQWRI-UHFFFAOYSA-N -1 3 331.327 3.457 20 30 EGEDHM Cc1ncc(CO)c(/C=N\CCOc2ccc3ccccc3c2)c1[O-] ZINC000839387079 1320912101 /nfs/dbraw/zinc/91/21/01/1320912101.db2.gz HAGDYIRVWIJRCK-MTJSOVHGSA-N -1 3 336.391 3.239 20 30 EGEDHM CC(C)(C)CC(=O)[N-]OCc1ccc(Br)cc1C#N ZINC000842062148 1321342021 /nfs/dbraw/zinc/34/20/21/1321342021.db2.gz YZCIHWQVWBISEZ-UHFFFAOYSA-N -1 3 325.206 3.305 20 30 EGEDHM COc1cc(C(=O)/C=C/c2ccc(-n3cncn3)c(F)c2)ccc1[O-] ZINC000844240127 1321582001 /nfs/dbraw/zinc/58/20/01/1321582001.db2.gz PAERBQMANZTLGP-ZZXKWVIFSA-N -1 3 339.326 3.017 20 30 EGEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000846549989 1321793132 /nfs/dbraw/zinc/79/31/32/1321793132.db2.gz MWLWVYRBCAFPDX-LLVKDONJSA-N -1 3 335.791 3.335 20 30 EGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC000920382803 1322170030 /nfs/dbraw/zinc/17/00/30/1322170030.db2.gz AEMKPSSVHRMXHD-UHFFFAOYSA-N -1 3 328.437 3.019 20 30 EGEDHM N#Cc1ccccc1CN1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001024337879 1323325260 /nfs/dbraw/zinc/32/52/60/1323325260.db2.gz UAVALUFVRRYZBV-GOSISDBHSA-N -1 3 349.434 3.048 20 30 EGEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cc(Br)[nH]n1 ZINC001193285729 1367988907 /nfs/dbraw/zinc/98/89/07/1367988907.db2.gz SQTRLMBYWSEWDH-UHFFFAOYSA-N -1 3 331.129 3.042 20 30 EGEDHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1ccc(OC)c(C#N)c1 ZINC000864529745 1329623315 /nfs/dbraw/zinc/62/33/15/1329623315.db2.gz ZCBRNYDUIHCUMN-GOSISDBHSA-N -1 3 338.407 3.435 20 30 EGEDHM N#Cc1c(F)cccc1NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001063428781 1351866799 /nfs/dbraw/zinc/86/67/99/1351866799.db2.gz VHDCVSUYZDQPMD-CYBMUJFWSA-N -1 3 339.370 3.120 20 30 EGEDHM C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001062015536 1351425448 /nfs/dbraw/zinc/42/54/48/1351425448.db2.gz QNUMOWRTTFCSPY-HZPDHXFCSA-N -1 3 344.455 3.105 20 30 EGEDHM C=C[C@@H](CC)CC(=O)N1CCC(C)(NC(=O)c2ccccc2[O-])CC1 ZINC001073205662 1355655876 /nfs/dbraw/zinc/65/58/76/1355655876.db2.gz OLWQVERAAIXBOR-HNNXBMFYSA-N -1 3 344.455 3.105 20 30 EGEDHM C=CCC(C)(C)C(=O)NC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001081892430 1357888558 /nfs/dbraw/zinc/88/85/58/1357888558.db2.gz BHPLLMRJKHJQKM-HNNXBMFYSA-N -1 3 344.455 3.105 20 30 EGEDHM Cc1ccc(O)c2c1[C@H](C)CC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC001324231083 1387562360 /nfs/dbraw/zinc/56/23/60/1387562360.db2.gz NLFIWWYECHXTRO-CYBMUJFWSA-N -1 3 344.436 3.032 20 30 EGEDHM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1cccc(C#N)c1 ZINC001190404691 1367256078 /nfs/dbraw/zinc/25/60/78/1367256078.db2.gz YBKODBINCZXUMI-VIFPVBQESA-N -1 3 340.326 3.015 20 30 EGEDHM Cc1nc(C#N)c([N-]C(=O)c2ccc(Cl)nc2C(F)(F)F)o1 ZINC001192465970 1367790872 /nfs/dbraw/zinc/79/08/72/1367790872.db2.gz LNWMLUIUOFVGCK-UHFFFAOYSA-N -1 3 330.653 3.174 20 30 EGEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC001193679808 1368092826 /nfs/dbraw/zinc/09/28/26/1368092826.db2.gz NVLKMBAKQHPUPJ-UHFFFAOYSA-N -1 3 340.763 3.160 20 30 EGEDHM CCOC(=O)c1cc(C#N)c(NC(=O)OC[C@@H](C)CC)c(C)c1[O-] ZINC001194807878 1368328566 /nfs/dbraw/zinc/32/85/66/1368328566.db2.gz UXMQWFYYJWMVAP-JTQLQIEISA-N -1 3 334.372 3.344 20 30 EGEDHM Cc1cc(OC(C)C)ccc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001196771584 1368680867 /nfs/dbraw/zinc/68/08/67/1368680867.db2.gz WFDBBHHKAKKYGP-UHFFFAOYSA-N -1 3 327.384 3.221 20 30 EGEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc3occc3c2)cc1F ZINC001198862306 1369133148 /nfs/dbraw/zinc/13/31/48/1369133148.db2.gz QKWMAHXFUVXOJV-UHFFFAOYSA-N -1 3 334.303 3.383 20 30 EGEDHM CC(C)CNc1cc(C(=O)[N-]c2c(C#N)oc3ccccc32)ncn1 ZINC001199443581 1369225307 /nfs/dbraw/zinc/22/53/07/1369225307.db2.gz QQKKNXVPGQHMBU-UHFFFAOYSA-N -1 3 335.367 3.415 20 30 EGEDHM CC(C)(C)NS(=O)(=O)c1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001201242822 1369503352 /nfs/dbraw/zinc/50/33/52/1369503352.db2.gz GFQCISBZZFPPAE-UHFFFAOYSA-N -1 3 345.424 3.084 20 30 EGEDHM CCc1nc(-c2ccc(C([O-])=C(C#N)c3cccc(F)n3)cc2)n[nH]1 ZINC001122721651 1372306281 /nfs/dbraw/zinc/30/62/81/1372306281.db2.gz XWEQAIOUTDZFQM-CYBMUJFWSA-N -1 3 335.342 3.058 20 30 EGEDHM CCOC(Cc1c(Nc2ccc(C#N)c(C)c2)nc[n-]c1=O)OCC ZINC001210806191 1372430614 /nfs/dbraw/zinc/43/06/14/1372430614.db2.gz UCWOSVWFXSPGLX-UHFFFAOYSA-N -1 3 342.399 3.048 20 30 EGEDHM COc1cc(-c2nc(-c3ccc(C#N)c(C)c3)no2)cc(OC)c1[O-] ZINC001215208325 1373187629 /nfs/dbraw/zinc/18/76/29/1373187629.db2.gz QANYTHCCDGKRDO-UHFFFAOYSA-N -1 3 337.335 3.307 20 30 EGEDHM Cc1cc(=O)c(C#N)c(O[C@H]2Cc3ccc(Br)cc3C2)[n-]1 ZINC001225467532 1375114470 /nfs/dbraw/zinc/11/44/70/1375114470.db2.gz SMRCNQPZNBMAHN-ZDUSSCGKSA-N -1 3 345.196 3.276 20 30 EGEDHM [O-]/N=C/c1ccnc(O[C@H]2CCc3ccc(Br)cc32)n1 ZINC001226255616 1375228285 /nfs/dbraw/zinc/22/82/85/1375228285.db2.gz KQJBEBKCCDMBLS-TVYFDWKESA-N -1 3 334.173 3.114 20 30 EGEDHM C[Si](C)(C)C#C[C@@H](Oc1[n-]c(=O)nc2cnccc21)c1ccccc1 ZINC001226973730 1375375784 /nfs/dbraw/zinc/37/57/84/1375375784.db2.gz JDMHRUQHWACPDZ-QGZVFWFLSA-N -1 3 349.466 3.319 20 30 EGEDHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1O[C@H](C)C#C[Si](C)(C)C ZINC001231087991 1376201834 /nfs/dbraw/zinc/20/18/34/1376201834.db2.gz LRINFXUAOFOTCZ-SNVBAGLBSA-N -1 3 341.867 3.265 20 30 EGEDHM CCOC(=O)C1(C#N)CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001231869945 1376330881 /nfs/dbraw/zinc/33/08/81/1376330881.db2.gz BIKIETXIEIJFNR-UHFFFAOYSA-N -1 3 336.819 3.023 20 30 EGEDHM N#CC=C([O-])c1ccccc1OC1CCN(c2cc(C#N)ccn2)CC1 ZINC001233529763 1376662967 /nfs/dbraw/zinc/66/29/67/1376662967.db2.gz GUQQUDKYUASJCJ-UHFFFAOYSA-N -1 3 346.390 3.097 20 30 EGEDHM C[C@@H]1C[C@H](Oc2cc([O-])cc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001234142593 1376776564 /nfs/dbraw/zinc/77/65/64/1376776564.db2.gz WKSLGXMSVSILAK-IUODEOHRSA-N -1 3 332.400 3.431 20 30 EGEDHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C(F)(F)F)cc1C#N ZINC001238845458 1377002386 /nfs/dbraw/zinc/00/23/86/1377002386.db2.gz LJJCGGBLAUWZFS-UHFFFAOYSA-N -1 3 345.284 3.433 20 30 EGEDHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C(F)(F)F)cc1C#N ZINC001238845458 1377002392 /nfs/dbraw/zinc/00/23/92/1377002392.db2.gz LJJCGGBLAUWZFS-UHFFFAOYSA-N -1 3 345.284 3.433 20 30 EGEDHM CN(Cc1cn(CC(=O)[O-])c2ccccc12)Cc1cccc(C#N)c1 ZINC001138197490 1377689581 /nfs/dbraw/zinc/68/95/81/1377689581.db2.gz WQIXBZQLZBYNIW-UHFFFAOYSA-N -1 3 333.391 3.230 20 30 EGEDHM CC(=O)c1cc(C(=O)N2CCC(C#Cc3ccccc3)CC2)ccc1[O-] ZINC001148662519 1379235648 /nfs/dbraw/zinc/23/56/48/1379235648.db2.gz NWMDCCYIXNZKCV-UHFFFAOYSA-N -1 3 347.414 3.499 20 30 EGEDHM C=CCOc1ccccc1[C@H](C)NC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC001154212126 1380228946 /nfs/dbraw/zinc/22/89/46/1380228946.db2.gz KDXBBQXHTUHYDW-LBPRGKRZSA-N -1 3 337.379 3.324 20 30 EGEDHM Cc1ccc([C@@H](C#N)c2ccc(NCc3ncccc3[O-])nn2)cc1 ZINC001158770542 1381391117 /nfs/dbraw/zinc/39/11/17/1381391117.db2.gz FZXUBHTYUDEESJ-OAHLLOKOSA-N -1 3 331.379 3.153 20 30 EGEDHM N#Cc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)ccc1[O-] ZINC001177029265 1385778108 /nfs/dbraw/zinc/77/81/08/1385778108.db2.gz QMCLIDCWFMMHNP-UHFFFAOYSA-N -1 3 333.347 3.490 20 30 EGEDHM N#CCOc1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC001318936128 1385887569 /nfs/dbraw/zinc/88/75/69/1385887569.db2.gz RDDHGTIWEXVYCQ-UHFFFAOYSA-N -1 3 342.420 3.269 20 30 EGEDHM CC(C)Oc1ccccc1[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001319269227 1386033030 /nfs/dbraw/zinc/03/30/30/1386033030.db2.gz FQRXBFRBPBHEGR-ZDUSSCGKSA-N -1 3 344.436 3.274 20 30 EGEDHM N#Cc1cc(NC(=O)[C@@H]2CCc3c([nH]c4ccccc43)C2)ccc1[O-] ZINC001182716743 1387212969 /nfs/dbraw/zinc/21/29/69/1387212969.db2.gz RQBRBUNIKNONRR-GFCCVEGCSA-N -1 3 331.375 3.489 20 30 EGEDHM C[C@H](C(=O)Nc1ncc([O-])cc1Br)c1ccc(C#N)cc1 ZINC001182786253 1387224314 /nfs/dbraw/zinc/22/43/14/1387224314.db2.gz DGFTXGYIPBBCBA-VIFPVBQESA-N -1 3 346.184 3.164 20 30 EGEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](C(C)C)C1 ZINC001342853058 1390663131 /nfs/dbraw/zinc/66/31/31/1390663131.db2.gz OPCSUQFMDDUIAQ-ZDUSSCGKSA-N -1 3 331.420 3.087 20 30 EGEDHM C=C(C)Cc1cccc(-c2nnc(N(C)OC)n2CC2CC2)c1[O-] ZINC001346791175 1390979123 /nfs/dbraw/zinc/97/91/23/1390979123.db2.gz WOCSPYUASFKELE-UHFFFAOYSA-N -1 3 328.416 3.177 20 30 EGEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCCC[C@H]1CC(C)C ZINC001351722675 1391679227 /nfs/dbraw/zinc/67/92/27/1391679227.db2.gz FMKYRDYEYNTBQM-AWEZNQCLSA-N -1 3 342.447 3.032 20 30 EGEDHM C[C@@H](NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cccc(C#N)c1 ZINC000824539827 1428010249 /nfs/dbraw/zinc/01/02/49/1428010249.db2.gz PUGSJVMHJLUPIG-CYBMUJFWSA-N -1 3 330.395 3.078 20 30 EGEDHM C[C@@H](NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cccc(C#N)c1 ZINC000824539827 1428010254 /nfs/dbraw/zinc/01/02/54/1428010254.db2.gz PUGSJVMHJLUPIG-CYBMUJFWSA-N -1 3 330.395 3.078 20 30 EGEDHM COc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826201800 1430244882 /nfs/dbraw/zinc/24/48/82/1430244882.db2.gz DWDVBQBDKRGQDX-QGZVFWFLSA-N -1 3 348.410 3.010 20 30 EGEDHM COc1ccc(CN[C@H](CCC#N)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826201800 1430244883 /nfs/dbraw/zinc/24/48/83/1430244883.db2.gz DWDVBQBDKRGQDX-QGZVFWFLSA-N -1 3 348.410 3.010 20 30 EGEDHM C#CCN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C1CCCCC1 ZINC001602700959 971324213 /nfs/dbraw/zinc/32/42/13/971324213.db2.gz PUMIZQMUIGCHMZ-MRXNPFEDSA-N -1 3 344.455 3.349 20 30 EGEDHM CCCCC[C@H](CC)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000825266391 947136509 /nfs/dbraw/zinc/13/65/09/947136509.db2.gz FQRBKLUZKRPGHK-LBPRGKRZSA-N -1 3 326.404 3.283 20 30 EGEDHM CCCCC[C@H](CC)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000825266391 947136520 /nfs/dbraw/zinc/13/65/20/947136520.db2.gz FQRBKLUZKRPGHK-LBPRGKRZSA-N -1 3 326.404 3.283 20 30 EGEDHM C=CCCC1(CNC(=O)c2ccc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573333616 947438299 /nfs/dbraw/zinc/43/82/99/947438299.db2.gz BLTCJMPABLBKMT-UHFFFAOYSA-N -1 3 343.406 3.262 20 30 EGEDHM C=CCCC1(CNC(=O)c2ccc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573333616 947438304 /nfs/dbraw/zinc/43/83/04/947438304.db2.gz BLTCJMPABLBKMT-UHFFFAOYSA-N -1 3 343.406 3.262 20 30 EGEDHM Fc1ccc(NCC#Cc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000826375432 948162902 /nfs/dbraw/zinc/16/29/02/948162902.db2.gz NJLIUNMTOPQELL-UHFFFAOYSA-N -1 3 327.750 3.123 20 30 EGEDHM Fc1ccc(NCC#Cc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000826375432 948162907 /nfs/dbraw/zinc/16/29/07/948162907.db2.gz NJLIUNMTOPQELL-UHFFFAOYSA-N -1 3 327.750 3.123 20 30 EGEDHM C[C@@H](CC#N)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001574470523 949506712 /nfs/dbraw/zinc/50/67/12/949506712.db2.gz DGWWNPCKOOBIEB-LBPRGKRZSA-N -1 3 348.366 3.147 20 30 EGEDHM C[C@@H](CC#N)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001574470523 949506734 /nfs/dbraw/zinc/50/67/34/949506734.db2.gz DGWWNPCKOOBIEB-LBPRGKRZSA-N -1 3 348.366 3.147 20 30 EGEDHM C#C[C@H](N[C@@H]1C[C@@H]2C[C@H](C(=O)[O-])C[C@H]12)c1ccc(Br)cc1 ZINC001588376004 983349370 /nfs/dbraw/zinc/34/93/70/983349370.db2.gz AMTVXYVGGPPHSW-YERCRUGSSA-N -1 3 348.240 3.212 20 30 EGEDHM C#Cc1ccc(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1 ZINC001588516806 983562266 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CCN(C(=O)c1cc(F)cc2nn[n-]c21)[C@@H](C)c1ccc(C#N)cc1 ZINC000337436151 154351454 /nfs/dbraw/zinc/35/14/54/154351454.db2.gz HRHPMTVQTKFDQM-NSHDSACASA-N -1 3 337.358 3.192 20 30 EGEDHM CCN(C(=O)c1cc(F)cc2n[n-]nc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000337436151 154351457 /nfs/dbraw/zinc/35/14/57/154351457.db2.gz HRHPMTVQTKFDQM-NSHDSACASA-N -1 3 337.358 3.192 20 30 EGEDHM CCC(CC)[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1cccs1 ZINC000352326624 165345570 /nfs/dbraw/zinc/34/55/70/165345570.db2.gz KVEGJWSBYXEVHT-INIZCTEOSA-N -1 3 349.481 3.471 20 30 EGEDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000360468600 167335578 /nfs/dbraw/zinc/33/55/78/167335578.db2.gz MYBKSDQKFAJKLT-OLZOCXBDSA-N -1 3 344.889 3.164 20 30 EGEDHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000157697637 264840899 /nfs/dbraw/zinc/84/08/99/264840899.db2.gz OHVRPWPTTYRKOE-STQMWFEESA-N -1 3 344.889 3.164 20 30 EGEDHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccs1 ZINC000428241595 270049901 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COc1ccc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)c(C)c1OC ZINC000287189135 456063951 /nfs/dbraw/zinc/06/39/51/456063951.db2.gz KVOJYOIXQPJNAY-NLTBIBMSSA-N -1 3 344.411 3.094 20 30 EGEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1csc(CO)n1 ZINC000601128879 460722811 /nfs/dbraw/zinc/72/28/11/460722811.db2.gz GAVPPXJHVKTVPF-JTQLQIEISA-N -1 3 333.438 3.139 20 30 EGEDHM N#Cc1ccc(NCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000340313813 456381729 /nfs/dbraw/zinc/38/17/29/456381729.db2.gz RLFMCMFVESKRPM-UHFFFAOYSA-N -1 3 346.184 3.077 20 30 EGEDHM N#CCc1cccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000343821457 456775928 /nfs/dbraw/zinc/77/59/28/456775928.db2.gz GLNWIYBYVPDKAG-UHFFFAOYSA-N -1 3 338.317 3.095 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(OC(F)F)c(F)c2)nc(C)n1 ZINC000344725553 456852611 /nfs/dbraw/zinc/85/26/11/456852611.db2.gz LEVJWWKAWOHASM-NSHDSACASA-N -1 3 335.285 3.324 20 30 EGEDHM Cc1cc(C(C#N)=C([O-])c2ccc([C@@H]3CCCOC3)cc2)nc(C)n1 ZINC000329250922 456860725 /nfs/dbraw/zinc/86/07/25/456860725.db2.gz 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Cc1cc(C)c(C#N)c(SCc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000826263220 608669479 /nfs/dbraw/zinc/66/94/79/608669479.db2.gz QIIJHVHVLRSHRC-UHFFFAOYSA-N -1 3 340.387 3.182 20 30 EGEDHM Cc1cc(C)c(C#N)c(SCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000826263220 608669480 /nfs/dbraw/zinc/66/94/80/608669480.db2.gz QIIJHVHVLRSHRC-UHFFFAOYSA-N -1 3 340.387 3.182 20 30 EGEDHM FC(F)C(Cc1ccccc1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000826369996 608752242 /nfs/dbraw/zinc/75/22/42/608752242.db2.gz ZFVLFXZKZCESDC-UHFFFAOYSA-N -1 3 328.326 3.142 20 30 EGEDHM FC(F)C(Cc1ccccc1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000826369996 608752244 /nfs/dbraw/zinc/75/22/44/608752244.db2.gz ZFVLFXZKZCESDC-UHFFFAOYSA-N -1 3 328.326 3.142 20 30 EGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475738 608881378 /nfs/dbraw/zinc/88/13/78/608881378.db2.gz OPWAXTBDLJIYDF-VZUCSPMQSA-N -1 3 340.745 3.482 20 30 EGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475738 608881380 /nfs/dbraw/zinc/88/13/80/608881380.db2.gz OPWAXTBDLJIYDF-VZUCSPMQSA-N -1 3 340.745 3.482 20 30 EGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(F)c1 ZINC000823958385 609470174 /nfs/dbraw/zinc/47/01/74/609470174.db2.gz LXHJDMXUFJDVNZ-UHFFFAOYSA-N -1 3 330.754 3.495 20 30 EGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(F)c1 ZINC000823958385 609470177 /nfs/dbraw/zinc/47/01/77/609470177.db2.gz LXHJDMXUFJDVNZ-UHFFFAOYSA-N -1 3 330.754 3.495 20 30 EGEDHM C#CC1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000831307386 1292838341 /nfs/dbraw/zinc/83/83/41/1292838341.db2.gz YANJZDWSMKUATO-UHFFFAOYSA-N -1 3 336.395 3.035 20 30 EGEDHM COc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(OC)cc1[O-] ZINC000122493113 1293414522 /nfs/dbraw/zinc/41/45/22/1293414522.db2.gz FKAVEDGETNAJIM-VMPITWQZSA-N -1 3 329.308 3.214 20 30 EGEDHM CN(C)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000126919516 1293547856 /nfs/dbraw/zinc/54/78/56/1293547856.db2.gz GOKLASXWXHAMNE-JJLFXSABSA-N -1 3 331.347 3.161 20 30 EGEDHM CN(C)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000126919781 1293548064 /nfs/dbraw/zinc/54/80/64/1293548064.db2.gz GOKLASXWXHAMNE-MWJIIQFGSA-N -1 3 331.347 3.161 20 30 EGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cccc3c[nH]nc32)cc1 ZINC000128516506 1293596366 /nfs/dbraw/zinc/59/63/66/1293596366.db2.gz MUHKSYYMPWBPTM-MRXNPFEDSA-N -1 3 332.363 3.086 20 30 EGEDHM C=CCOC(=O)c1sc2[n-]c([C@H]3CCCS3)nc(=O)c2c1C ZINC000129491130 1293624673 /nfs/dbraw/zinc/62/46/73/1293624673.db2.gz HTPCGUIXFFZIRU-SECBINFHSA-N -1 3 336.438 3.204 20 30 EGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Cl)c(F)c1 ZINC000161953241 1294302473 /nfs/dbraw/zinc/30/24/73/1294302473.db2.gz GVPWQWZWFJIWOP-NSHDSACASA-N -1 3 346.745 3.449 20 30 EGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Cl)c(F)c1 ZINC000161953337 1294302939 /nfs/dbraw/zinc/30/29/39/1294302939.db2.gz GVPWQWZWFJIWOP-LLVKDONJSA-N -1 3 346.745 3.449 20 30 EGEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1N(C)C ZINC000172675154 1294441362 /nfs/dbraw/zinc/44/13/62/1294441362.db2.gz RNOWUXZAQBSGMP-UHFFFAOYSA-N -1 3 329.425 3.042 20 30 EGEDHM COc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1Br ZINC000255292863 1296515768 /nfs/dbraw/zinc/51/57/68/1296515768.db2.gz ANEWBPOLWKKHIV-UHFFFAOYSA-N -1 3 338.157 3.325 20 30 EGEDHM COc1ccc(Br)c(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255519848 1296543361 /nfs/dbraw/zinc/54/33/61/1296543361.db2.gz WKFVGGZTNCHQQN-UHFFFAOYSA-N -1 3 338.157 3.325 20 30 EGEDHM CCO[C@H]1CCC[C@H](OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000873600927 1297625674 /nfs/dbraw/zinc/62/56/74/1297625674.db2.gz MGLQTVSKHOMMHO-GJZGRUSLSA-N -1 3 346.427 3.099 20 30 EGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(Cl)cs2)cc1 ZINC000759438641 1301092480 /nfs/dbraw/zinc/09/24/80/1301092480.db2.gz UKOLJWFVQRPWJK-GFCCVEGCSA-N -1 3 334.784 3.371 20 30 EGEDHM C=CCCCOC(=O)c1ccc(I)c([O-])c1 ZINC000760812426 1301343038 /nfs/dbraw/zinc/34/30/38/1301343038.db2.gz MMRFGSQBMMLLIG-UHFFFAOYSA-N -1 3 332.137 3.120 20 30 EGEDHM CCOc1cc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)ccc1O ZINC000763104595 1301822515 /nfs/dbraw/zinc/82/25/15/1301822515.db2.gz MYSJEIUMXYTQFD-ALCCZGGFSA-N -1 3 344.363 3.410 20 30 EGEDHM COc1cc(C(=O)/C=C\c2cnc3cccc(C)n23)c(OC)cc1[O-] ZINC000763105577 1301825255 /nfs/dbraw/zinc/82/52/55/1301825255.db2.gz MSNGRSSNUKOSMD-FPLPWBNLSA-N -1 3 338.363 3.262 20 30 EGEDHM COc1cc(C=NN=c2[nH]c3ccccc3s2)c([N+](=O)[O-])cc1[O-] ZINC000767012940 1302563212 /nfs/dbraw/zinc/56/32/12/1302563212.db2.gz WOIQTAQOUAUDFR-UHFFFAOYSA-N -1 3 344.352 3.365 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C#N)C1CCCCC1 ZINC000776370308 1304141799 /nfs/dbraw/zinc/14/17/99/1304141799.db2.gz WQHRGFNCEYGZQP-KRWDZBQOSA-N -1 3 341.411 3.224 20 30 EGEDHM COc1cc(C=NOCCC(F)(F)F)cc(Br)c1[O-] ZINC000777463067 1304301243 /nfs/dbraw/zinc/30/12/43/1304301243.db2.gz YINFVQXNQFJWRU-UHFFFAOYSA-N -1 3 342.111 3.466 20 30 EGEDHM COc1cccc([N-][NH+]=C(C)c2ccc(N3CCCC3)cc2[O-])n1 ZINC000779819978 1304610006 /nfs/dbraw/zinc/61/00/06/1304610006.db2.gz ZFICMRAOXWIMBT-UHFFFAOYSA-N -1 3 326.400 3.232 20 30 EGEDHM N#Cc1ccc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])nc1 ZINC000782028873 1304904732 /nfs/dbraw/zinc/90/47/32/1304904732.db2.gz IZLQDCLDPKRAKW-UHFFFAOYSA-N -1 3 345.358 3.381 20 30 EGEDHM N#Cc1cccc(OCCOC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787851264 1305813544 /nfs/dbraw/zinc/81/35/44/1305813544.db2.gz VJYOHCMBKDYVDU-UHFFFAOYSA-N -1 3 343.354 3.348 20 30 EGEDHM CCNC(=O)Nc1cccc(N=Cc2ccc(O)c([O-])c2O)c1C ZINC000788316983 1305920872 /nfs/dbraw/zinc/92/08/72/1305920872.db2.gz FDIRCEPHIOWNKQ-UHFFFAOYSA-N -1 3 329.356 3.004 20 30 EGEDHM C#CCn1ccc(CN(CC)C(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000790118443 1306262748 /nfs/dbraw/zinc/26/27/48/1306262748.db2.gz ZTGYACXQUJNTAB-UHFFFAOYSA-N -1 3 325.412 3.008 20 30 EGEDHM O=C(N1CCCC1)N1CCC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000794675687 1309569992 /nfs/dbraw/zinc/56/99/92/1309569992.db2.gz FEGVBGMSQFYNCQ-BKQORJHRSA-N -1 3 335.835 3.145 20 30 EGEDHM CCc1cccc(C)c1NN=C1C(=O)[N-]c2c1cc([N+](=O)[O-])cc2F ZINC000799495233 1310562200 /nfs/dbraw/zinc/56/22/00/1310562200.db2.gz PQAIZEQINPBEJD-UHFFFAOYSA-N -1 3 342.330 3.373 20 30 EGEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2nccs2)cc1Cl ZINC000801072223 1310863237 /nfs/dbraw/zinc/86/32/37/1310863237.db2.gz JYBDXEPUAZNWIS-UHFFFAOYSA-N -1 3 327.743 3.076 20 30 EGEDHM C=CCC(F)(F)C(=O)Nc1nc(CCCC)[n-]c1C(=O)OCC ZINC000839333965 1320905284 /nfs/dbraw/zinc/90/52/84/1320905284.db2.gz NQRRNKLGTRSELX-UHFFFAOYSA-N -1 3 329.347 3.079 20 30 EGEDHM CC(C)Cn1cccc(C(=O)N([O-])Cc2ccccc2Cl)c1=O ZINC000900678467 1317322939 /nfs/dbraw/zinc/32/29/39/1317322939.db2.gz ILCIECZGIBGREP-UHFFFAOYSA-N -1 3 334.803 3.189 20 30 EGEDHM COCCCn1cc(C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC000901370576 1317410568 /nfs/dbraw/zinc/41/05/68/1317410568.db2.gz AFHLVISVXBOLRK-UHFFFAOYSA-N -1 3 339.395 3.104 20 30 EGEDHM Cc1nnc2ccc(C(=O)N([O-])Cc3cccc4ccccc43)cn12 ZINC000901369706 1317410768 /nfs/dbraw/zinc/41/07/68/1317410768.db2.gz GLHLIADVMWWTIY-UHFFFAOYSA-N -1 3 332.363 3.223 20 30 EGEDHM Cc1cn(-c2ccc(F)cc2)nc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901373048 1317411177 /nfs/dbraw/zinc/41/11/77/1317411177.db2.gz RWUMSQGUBOOGJM-UHFFFAOYSA-N -1 3 343.333 3.491 20 30 EGEDHM CC(C)CCC(=O)NCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369940 1317411393 /nfs/dbraw/zinc/41/13/93/1317411393.db2.gz LOWTUTNDBAOFHH-UHFFFAOYSA-N -1 3 328.412 3.110 20 30 EGEDHM COc1cc(CCC(=O)N([O-])Cc2ccc(F)cc2)cc(OC)c1 ZINC000901375623 1317412596 /nfs/dbraw/zinc/41/25/96/1317412596.db2.gz HZHGODAPVLQPTE-UHFFFAOYSA-N -1 3 333.359 3.194 20 30 EGEDHM CCOc1cc(/C=C/C(=O)c2cc3n(n2)CCC3)cc(Cl)c1[O-] ZINC000901561624 1317447117 /nfs/dbraw/zinc/44/71/17/1317447117.db2.gz QUIXBJXHOLMEHD-AATRIKPKSA-N -1 3 332.787 3.483 20 30 EGEDHM O=C(c1ccc(N2CCCC2)nn1)N([O-])Cc1cccc2ccccc21 ZINC000904170676 1317801649 /nfs/dbraw/zinc/80/16/49/1317801649.db2.gz NCSFTPCMMVDSAN-UHFFFAOYSA-N -1 3 348.406 3.262 20 30 EGEDHM O=C([C@@H]1CCCC12OCCO2)N([O-])Cc1cccc2ccccc21 ZINC000904170945 1317802328 /nfs/dbraw/zinc/80/23/28/1317802328.db2.gz HGCVNMBIVOHSDK-KRWDZBQOSA-N -1 3 327.380 3.101 20 30 EGEDHM Cn1ncc2c1C[C@@H](C(=O)N([O-])Cc1cccc3ccccc31)CC2 ZINC000904172081 1317803354 /nfs/dbraw/zinc/80/33/54/1317803354.db2.gz YNUUTGPZUVCQDU-HNNXBMFYSA-N -1 3 335.407 3.096 20 30 EGEDHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1C ZINC000811183963 1318118517 /nfs/dbraw/zinc/11/85/17/1318118517.db2.gz CRECDGLLQNAVHR-CYBMUJFWSA-N -1 3 338.363 3.065 20 30 EGEDHM C[C@H](CCOC(=O)c1cc([O-])cc(C#N)c1)OCc1ccccc1 ZINC000811187850 1318120070 /nfs/dbraw/zinc/12/00/70/1318120070.db2.gz NKZJFSFMTJARCK-CQSZACIVSA-N -1 3 325.364 3.416 20 30 EGEDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187501 1318120464 /nfs/dbraw/zinc/12/04/64/1318120464.db2.gz HUTBPDLYSNGRMJ-NSHDSACASA-N -1 3 326.308 3.399 20 30 EGEDHM C=C(C)[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(F)c(F)c1 ZINC000907461322 1318227226 /nfs/dbraw/zinc/22/72/26/1318227226.db2.gz NZLHLOJBLNITBR-OAHLLOKOSA-N -1 3 345.349 3.385 20 30 EGEDHM COc1ccc(F)cc1/C=C\C(=O)c1cc(OC)c([O-])cc1OC ZINC000812243569 1318351132 /nfs/dbraw/zinc/35/11/32/1318351132.db2.gz OQVQYEJTHQHMNW-XQRVVYSFSA-N -1 3 332.327 3.453 20 30 EGEDHM COc1cc(C=NN2C(=S)N=NC2C(C)(C)C)cc(Cl)c1[O-] ZINC000916308710 1319636553 /nfs/dbraw/zinc/63/65/53/1319636553.db2.gz RPPZPEGWQLSYSU-UHFFFAOYSA-N -1 3 340.836 3.114 20 30 EGEDHM C=CCC[C@H](/N=C\c1cc(Br)ccc1[O-])C(=O)OCC ZINC000840711494 1321132522 /nfs/dbraw/zinc/13/25/22/1321132522.db2.gz ZFQYVCNBQGDBMX-NWRYFCBHSA-N -1 3 340.217 3.472 20 30 EGEDHM CCCCCCCS(=O)(=O)[N-][C@@H](C(C)=O)c1ccccc1F ZINC000841570156 1321284357 /nfs/dbraw/zinc/28/43/57/1321284357.db2.gz KTNYEAWXNGDWHA-INIZCTEOSA-N -1 3 329.437 3.346 20 30 EGEDHM COc1cc(N=Cc2c([O-])c(C)ncc2CO)cc(Cl)c1OC ZINC000844270673 1321583841 /nfs/dbraw/zinc/58/38/41/1321583841.db2.gz JEULJRRVHQIZIF-UHFFFAOYSA-N -1 3 336.775 3.009 20 30 EGEDHM C=C(C)CO[N-]C(=O)CCc1ccc(Br)cc1OC ZINC000846536000 1321791930 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C=C(C)CCC(=O)N(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001078976612 1357142305 /nfs/dbraw/zinc/14/23/05/1357142305.db2.gz XQUCNCJHDVCVQK-MRXNPFEDSA-N -1 3 344.455 3.202 20 30 EGEDHM C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066428676 1353108092 /nfs/dbraw/zinc/10/80/92/1353108092.db2.gz KDLHHMCTLZEPTJ-HZPDHXFCSA-N -1 3 344.455 3.105 20 30 EGEDHM N#Cc1cc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)ccc1[O-] ZINC001183276954 1387289532 /nfs/dbraw/zinc/28/95/32/1387289532.db2.gz YRXIPOIHTHYYTP-LBPRGKRZSA-N -1 3 328.755 3.107 20 30 EGEDHM COc1cc(C=NOC(C)(C)C)cc(I)c1[O-] ZINC001323133394 1387299191 /nfs/dbraw/zinc/29/91/91/1387299191.db2.gz VVLCCPMRORRTHL-UHFFFAOYSA-N -1 3 349.168 3.154 20 30 EGEDHM COc1cccc(-c2cc(C(=O)Nc3ccc([O-])c(C#N)c3)no2)c1 ZINC001189983727 1367146139 /nfs/dbraw/zinc/14/61/39/1367146139.db2.gz FNNGFLUXVHIICX-UHFFFAOYSA-N -1 3 335.319 3.180 20 30 EGEDHM CC1(c2cccc(C(=O)[N-]c3c(C#N)oc4ccccc43)n2)OCCO1 ZINC001190838360 1367364660 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CC#CC[C@H](NCc1cccc(Cl)c1Br)C(=O)[O-] ZINC001334852959 1390605873 /nfs/dbraw/zinc/60/58/73/1390605873.db2.gz LLGZNQVAYJLPER-NSHDSACASA-N -1 3 330.609 3.059 20 30 EGEDHM CCCc1c(C([O-])=C(C#N)c2nccn2C)cnn1-c1ccccc1 ZINC001342924295 1390673074 /nfs/dbraw/zinc/67/30/74/1390673074.db2.gz LHEKZQVCQBOSBF-HNNXBMFYSA-N -1 3 333.395 3.048 20 30 EGEDHM CCn1nc(C)c(C([O-])=C(C#N)c2nccn2Cc2ccccc2)c1C ZINC001346537130 1390950900 /nfs/dbraw/zinc/95/09/00/1390950900.db2.gz GLZGLDNWIBUQEJ-KRWDZBQOSA-N -1 3 347.422 3.255 20 30 EGEDHM C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824528786 1443824412 /nfs/dbraw/zinc/82/44/12/1443824412.db2.gz CEMRCMRCNURVHP-NWDGAFQWSA-N -1 3 336.374 3.289 20 30 EGEDHM C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824528786 1443824414 /nfs/dbraw/zinc/82/44/14/1443824414.db2.gz CEMRCMRCNURVHP-NWDGAFQWSA-N -1 3 336.374 3.289 20 30 EGEDHM Clc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000822585676 946131279 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N#CC(=C([O-])c1ccc(OC(F)F)cc1)c1nnc2n1CCCCC2 ZINC000072678729 454327003 /nfs/dbraw/zinc/32/70/03/454327003.db2.gz ZHDLWISLHDIIQH-CYBMUJFWSA-N -1 3 346.337 3.096 20 30 EGEDHM [O-]c1c(O)ccc(/C=N/[C@@H](C[C@H]2CCOC2)c2ccccc2)c1O ZINC000133126562 454395618 /nfs/dbraw/zinc/39/56/18/454395618.db2.gz NBVKCUZJFKSBTM-JZSWGUKPSA-N -1 3 327.380 3.390 20 30 EGEDHM CC(C)C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000073719173 454472319 /nfs/dbraw/zinc/47/23/19/454472319.db2.gz BKRDIVHAJMKNEC-UHFFFAOYSA-N -1 3 339.355 3.296 20 30 EGEDHM CC(C)C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000073719173 454472323 /nfs/dbraw/zinc/47/23/23/454472323.db2.gz BKRDIVHAJMKNEC-UHFFFAOYSA-N -1 3 339.355 3.296 20 30 EGEDHM CC(C)C(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000073719173 454472325 /nfs/dbraw/zinc/47/23/25/454472325.db2.gz BKRDIVHAJMKNEC-UHFFFAOYSA-N -1 3 339.355 3.296 20 30 EGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(F)cc1 ZINC000103504656 454560876 /nfs/dbraw/zinc/56/08/76/454560876.db2.gz 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ZINC000124423269 454731350 /nfs/dbraw/zinc/73/13/50/454731350.db2.gz FFKXEKAJXWNKRP-UHFFFAOYSA-N -1 3 327.380 3.238 20 30 EGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000108821380 454813201 /nfs/dbraw/zinc/81/32/01/454813201.db2.gz YBMXYLGUFDOORE-KRWDZBQOSA-N -1 3 333.395 3.250 20 30 EGEDHM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1CC(C)C ZINC000165260785 454896945 /nfs/dbraw/zinc/89/69/45/454896945.db2.gz YOYYFEYCOMMFIY-AWEZNQCLSA-N -1 3 349.438 3.478 20 30 EGEDHM CC[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000113471564 454927354 /nfs/dbraw/zinc/92/73/54/454927354.db2.gz WZPRNEPTBUWDGH-GOSISDBHSA-N -1 3 338.407 3.491 20 30 EGEDHM N#Cc1c(COC(=O)c2cc(-c3ccco3)n[n-]2)cn2ccccc12 ZINC000170595263 454937801 /nfs/dbraw/zinc/93/78/01/454937801.db2.gz FBTHPLOHZSQQTD-UHFFFAOYSA-N -1 3 332.319 3.151 20 30 EGEDHM N#Cc1c(COC(=O)c2cc(-c3ccco3)[n-]n2)cn2ccccc12 ZINC000170595263 454937802 /nfs/dbraw/zinc/93/78/02/454937802.db2.gz FBTHPLOHZSQQTD-UHFFFAOYSA-N -1 3 332.319 3.151 20 30 EGEDHM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160788007 455498529 /nfs/dbraw/zinc/49/85/29/455498529.db2.gz SAUKBUSUHPOUJU-JTQLQIEISA-N -1 3 340.857 3.183 20 30 EGEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)N[C@@H](C)c1ccc(C#N)cc1)c2=O ZINC000155469820 455005610 /nfs/dbraw/zinc/00/56/10/455005610.db2.gz WFHHCEHFVAJOQA-LBPRGKRZSA-N -1 3 349.365 3.338 20 30 EGEDHM CCCCCCCS(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155980560 455068451 /nfs/dbraw/zinc/06/84/51/455068451.db2.gz FIGRTIRUSSTJND-UHFFFAOYSA-N -1 3 340.367 3.086 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)c(F)c1 ZINC000161003741 455523469 /nfs/dbraw/zinc/52/34/69/455523469.db2.gz CMDPZHNXNHGYDS-UHFFFAOYSA-N -1 3 348.252 3.055 20 30 EGEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000186424065 455765782 /nfs/dbraw/zinc/76/57/82/455765782.db2.gz PKROJKICOQIEQK-SNVBAGLBSA-N -1 3 341.483 3.151 20 30 EGEDHM C=CCN(CCc1ccco1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278502807 455837611 /nfs/dbraw/zinc/83/76/11/455837611.db2.gz OEDDVEVFPALTGJ-UHFFFAOYSA-N -1 3 332.356 3.133 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000253543795 455851466 /nfs/dbraw/zinc/85/14/66/455851466.db2.gz QDMALYOMSUJUFA-JYAVWHMHSA-N -1 3 329.444 3.149 20 30 EGEDHM C=CCOCCCC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000296203183 455878779 /nfs/dbraw/zinc/87/87/79/455878779.db2.gz VMNBEXYWFFNYPU-UHFFFAOYSA-N -1 3 328.206 3.384 20 30 EGEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccc(OC)cc1 ZINC000187475216 455915525 /nfs/dbraw/zinc/91/55/25/455915525.db2.gz WHQWGIAWFAMOQH-INIZCTEOSA-N -1 3 346.390 3.328 20 30 EGEDHM C=CC[C@@H](CC)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000281575097 456268860 /nfs/dbraw/zinc/26/88/60/456268860.db2.gz BAXSQCFIZJAJBQ-GFCCVEGCSA-N -1 3 343.383 3.025 20 30 EGEDHM CCc1ccc([C@@H](C#N)[N-]C(=O)C(F)(F)c2ncccc2C)cc1 ZINC000290242914 456272955 /nfs/dbraw/zinc/27/29/55/456272955.db2.gz SCSMDEJDCDKRJA-OAHLLOKOSA-N -1 3 329.350 3.425 20 30 EGEDHM CC(C)([N-]S(=O)(=O)CC1(C#N)CCCCC1)C(=O)c1ccccc1 ZINC000632353840 460728096 /nfs/dbraw/zinc/72/80/96/460728096.db2.gz SZBQCXMNBHXJFY-UHFFFAOYSA-N -1 3 348.468 3.041 20 30 EGEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccc(OC(F)F)cc2)c1[O-] ZINC000298243346 456402468 /nfs/dbraw/zinc/40/24/68/456402468.db2.gz PFXMDBOZLDZZLF-DNQBHLINSA-N -1 3 336.338 3.369 20 30 EGEDHM Cc1cccc(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000298878228 456560951 /nfs/dbraw/zinc/56/09/51/456560951.db2.gz ZQCOIVCBISDDLG-UHFFFAOYSA-N -1 3 337.423 3.488 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1c(F)cccc1F ZINC000299019027 456586672 /nfs/dbraw/zinc/58/66/72/456586672.db2.gz ICBZZAYRYNYVQG-UHFFFAOYSA-N -1 3 345.349 3.150 20 30 EGEDHM CCOc1nc2cc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)ccc2[n-]1 ZINC000328766049 456755651 /nfs/dbraw/zinc/75/56/51/456755651.db2.gz HAWQEHALQCQRIW-MAZHCROVSA-N -1 3 341.411 3.224 20 30 EGEDHM CCOc1nc2ccc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2[n-]1 ZINC000328766049 456755658 /nfs/dbraw/zinc/75/56/58/456755658.db2.gz HAWQEHALQCQRIW-MAZHCROVSA-N -1 3 341.411 3.224 20 30 EGEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000329217266 456854990 /nfs/dbraw/zinc/85/49/90/456854990.db2.gz PWMIVFBAPFNILC-QWRGUYRKSA-N -1 3 337.763 3.153 20 30 EGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3C[C@@]34CCOC4)c2)n1 ZINC000329613092 456915419 /nfs/dbraw/zinc/91/54/19/456915419.db2.gz OSTPNNLSSBMZSL-DNVCBOLYSA-N -1 3 339.395 3.426 20 30 EGEDHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC000330194242 456999244 /nfs/dbraw/zinc/99/92/44/456999244.db2.gz AXPSNASVYSDZBD-OAHLLOKOSA-N -1 3 346.427 3.036 20 30 EGEDHM CC(C)c1cc(C(=O)N[C@@]2(CCO)CCOC2)c([O-])c(C(C)C)c1 ZINC000331331030 457168165 /nfs/dbraw/zinc/16/81/65/457168165.db2.gz HREDASBKRRCAKR-IBGZPJMESA-N -1 3 335.444 3.485 20 30 EGEDHM N#CC(=C([O-])c1ccnc(SCC(F)(F)F)c1)c1ccncn1 ZINC000354467387 457241584 /nfs/dbraw/zinc/24/15/84/457241584.db2.gz LJBWXBAUAFFWBU-SNVBAGLBSA-N -1 3 338.314 3.016 20 30 EGEDHM Cc1ccc(OCc2cccc(C([O-])=C(C#N)c3ccncn3)c2)cn1 ZINC000354481162 457250199 /nfs/dbraw/zinc/25/01/99/457250199.db2.gz XWPNZCYCPHKEAR-SFHVURJKSA-N -1 3 344.374 3.249 20 30 EGEDHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1c(F)cccc1F ZINC000355617873 457395042 /nfs/dbraw/zinc/39/50/42/457395042.db2.gz FCUMLFFCQRUZCZ-GFCCVEGCSA-N -1 3 342.411 3.419 20 30 EGEDHM Cn1nc2ccccc2c1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000357777171 457686171 /nfs/dbraw/zinc/68/61/71/457686171.db2.gz DEIALQOPVIQIFE-LBPRGKRZSA-N -1 3 344.296 3.477 20 30 EGEDHM N#CC1(CCN2CCN(C(=O)c3cccc([O-])c3)CC2)CCCCC1 ZINC000411388840 457870854 /nfs/dbraw/zinc/87/08/54/457870854.db2.gz MNAJQIODENNXLT-UHFFFAOYSA-N -1 3 341.455 3.014 20 30 EGEDHM N#CC(=C([O-])c1ccnn1CC(F)F)c1ccc(C(F)(F)F)cn1 ZINC000434617434 458023066 /nfs/dbraw/zinc/02/30/66/458023066.db2.gz TYVNKCXEQNBASS-VIFPVBQESA-N -1 3 344.243 3.052 20 30 EGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1c[nH]nc1-c1ccoc1 ZINC000434620559 458024680 /nfs/dbraw/zinc/02/46/80/458024680.db2.gz YKGFYTDEHSGTNT-GFCCVEGCSA-N -1 3 331.335 3.046 20 30 EGEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(F)c1 ZINC000435426104 458143039 /nfs/dbraw/zinc/14/30/39/458143039.db2.gz GLVYWHHUSZFEPK-UHFFFAOYSA-N -1 3 338.429 3.015 20 30 EGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2cccc(Cl)c2)s1 ZINC000435435517 458147093 /nfs/dbraw/zinc/14/70/93/458147093.db2.gz YHGUIDMAYJEOCS-UHFFFAOYSA-N -1 3 340.857 3.184 20 30 EGEDHM C#CCC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000372088832 458189735 /nfs/dbraw/zinc/18/97/35/458189735.db2.gz PWJVVKSWBXFZPT-MRXNPFEDSA-N -1 3 348.874 3.176 20 30 EGEDHM COC(=O)c1ccnc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)c1 ZINC000415746654 458334765 /nfs/dbraw/zinc/33/47/65/458334765.db2.gz VOVAZOLRBPTYTD-UHFFFAOYSA-N -1 3 343.408 3.351 20 30 EGEDHM COc1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000436573324 458334849 /nfs/dbraw/zinc/33/48/49/458334849.db2.gz HBOJLPSSJVJQCJ-UHFFFAOYSA-N -1 3 349.308 3.201 20 30 EGEDHM CCCOc1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc1OCCC ZINC000416937626 458356927 /nfs/dbraw/zinc/35/69/27/458356927.db2.gz DDYFLPSPYJZHNB-CQSZACIVSA-N -1 3 340.445 3.308 20 30 EGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000416947522 458357605 /nfs/dbraw/zinc/35/76/05/458357605.db2.gz GWOVJPHNJIIULV-CYBMUJFWSA-N -1 3 337.445 3.024 20 30 EGEDHM C=CCOc1cccc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1 ZINC000420696015 458400592 /nfs/dbraw/zinc/40/05/92/458400592.db2.gz XNUBEZWLLASZDC-INIZCTEOSA-N -1 3 327.446 3.054 20 30 EGEDHM C=CCC1(C(=O)NCCCNC(=O)c2cccc([O-])c2)CCCCC1 ZINC000449832722 458432294 /nfs/dbraw/zinc/43/22/94/458432294.db2.gz CIWQHJZWUPFECS-UHFFFAOYSA-N -1 3 344.455 3.155 20 30 EGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000450003452 458437304 /nfs/dbraw/zinc/43/73/04/458437304.db2.gz MSKMIOUWDOEKGL-WMZOPIPTSA-N -1 3 338.382 3.372 20 30 EGEDHM CCc1cccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1[O-] ZINC000547744495 458784892 /nfs/dbraw/zinc/78/48/92/458784892.db2.gz CHOPPMGJVLABLS-LPHOPBHVSA-N -1 3 328.412 3.022 20 30 EGEDHM COC(=O)Nc1ccc(C(=O)OCCCCC(C)(C)C#N)cc1[O-] ZINC000495857444 458981694 /nfs/dbraw/zinc/98/16/94/458981694.db2.gz HZJJGQSWYZBJDC-UHFFFAOYSA-N -1 3 334.372 3.447 20 30 EGEDHM Cc1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443105444 459088898 /nfs/dbraw/zinc/08/88/98/459088898.db2.gz PKRIYWSJYXXPNE-UHFFFAOYSA-N -1 3 334.828 3.041 20 30 EGEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000595399493 459291025 /nfs/dbraw/zinc/29/10/25/459291025.db2.gz LHNNWJBGELYEJZ-UHFFFAOYSA-N -1 3 349.412 3.166 20 30 EGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000536131199 459358889 /nfs/dbraw/zinc/35/88/89/459358889.db2.gz YUQBUFXJEACVEC-UHFFFAOYSA-N -1 3 330.400 3.414 20 30 EGEDHM C=CCOc1cccnc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000539338751 459376093 /nfs/dbraw/zinc/37/60/93/459376093.db2.gz KOKHMXJRHHFCOC-UHFFFAOYSA-N -1 3 349.184 3.367 20 30 EGEDHM C=CCOc1cccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC000539471959 459377248 /nfs/dbraw/zinc/37/72/48/459377248.db2.gz WMPDBSOSJJNNDN-UHFFFAOYSA-N -1 3 339.363 3.472 20 30 EGEDHM CCOc1ccc(C=Nc2ccc(N3CCOC3=O)cc2)c([O-])c1 ZINC000490672977 459583909 /nfs/dbraw/zinc/58/39/09/459583909.db2.gz BPAZYLHIOUFRDG-UHFFFAOYSA-N -1 3 326.352 3.498 20 30 EGEDHM C#CCN(Cc1ccccc1)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000491180138 459602680 /nfs/dbraw/zinc/60/26/80/459602680.db2.gz KBSOAYGDMXUFJU-UHFFFAOYSA-N -1 3 348.377 3.251 20 30 EGEDHM N#C[C@@H](NC(=O)/C=C\c1cncc([O-])c1)c1c(Cl)cccc1Cl ZINC000492394152 459703668 /nfs/dbraw/zinc/70/36/68/459703668.db2.gz FMUCLWXKVYDQIB-ZRUQZJFASA-N -1 3 348.189 3.488 20 30 EGEDHM N#CCCn1cc(/C=C\C(=O)[N-]OC/C=C\Cl)c2ccccc21 ZINC000493024160 459730072 /nfs/dbraw/zinc/73/00/72/459730072.db2.gz NCMCWDQCZPMEHT-KKRGOGOASA-N -1 3 329.787 3.368 20 30 EGEDHM CC(C)OCCO[N-]C(=O)/C=C\c1cn(CCC#N)c2ccccc12 ZINC000493235276 459738318 /nfs/dbraw/zinc/73/83/18/459738318.db2.gz QJMHSUIRNYRNQG-HJWRWDBZSA-N -1 3 341.411 3.041 20 30 EGEDHM C=C(C)CCNC(=O)/C=C\c1cc(Br)c([O-])c(OC)c1 ZINC000493477570 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N#CCc1cc(Cl)ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000594364816 460195801 /nfs/dbraw/zinc/19/58/01/460195801.db2.gz GDEWXQUYNSLJBA-UHFFFAOYSA-N -1 3 328.759 3.031 20 30 EGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000611028988 460279658 /nfs/dbraw/zinc/27/96/58/460279658.db2.gz SBLBJXXNTOMSIV-SECBINFHSA-N -1 3 340.754 3.329 20 30 EGEDHM COCCN(CCC#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000611280319 460328079 /nfs/dbraw/zinc/32/80/79/460328079.db2.gz JCDCFONITQTMCL-UHFFFAOYSA-N -1 3 340.379 3.187 20 30 EGEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000601417033 460808261 /nfs/dbraw/zinc/80/82/61/460808261.db2.gz IMRSJBISOQFHQP-UHFFFAOYSA-N -1 3 349.481 3.418 20 30 EGEDHM C=CCCO[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1cccc(Cl)c1 ZINC000608469570 461068679 /nfs/dbraw/zinc/06/86/79/461068679.db2.gz IAAUWNLDOVDYEE-LBPRGKRZSA-N -1 3 333.819 3.380 20 30 EGEDHM C=CCC1([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)CCOCC1 ZINC000657129045 461971066 /nfs/dbraw/zinc/97/10/66/461971066.db2.gz 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EGEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2s1 ZINC000819718577 607252450 /nfs/dbraw/zinc/25/24/50/607252450.db2.gz KPOGLDBHZAZCNU-UHFFFAOYSA-N -1 3 334.408 3.205 20 30 EGEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2s1 ZINC000819718577 607252451 /nfs/dbraw/zinc/25/24/51/607252451.db2.gz KPOGLDBHZAZCNU-UHFFFAOYSA-N -1 3 334.408 3.205 20 30 EGEDHM CC(C)[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820016240 599631593 /nfs/dbraw/zinc/63/15/93/599631593.db2.gz KULXYMYBIQQARD-QGZVFWFLSA-N -1 3 346.394 3.117 20 30 EGEDHM CC(C)[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820016240 599631594 /nfs/dbraw/zinc/63/15/94/599631594.db2.gz KULXYMYBIQQARD-QGZVFWFLSA-N -1 3 346.394 3.117 20 30 EGEDHM COc1cc(OC)cc([C@H](N[C@H](C)c2cccc(C#N)c2)C(=O)[O-])c1 ZINC000832049803 602176241 /nfs/dbraw/zinc/17/62/41/602176241.db2.gz KHTNJNDVKCSBRC-XIKOKIGWSA-N -1 3 340.379 3.052 20 30 EGEDHM CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000819773137 606165553 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N#Cc1cccc(OCCCSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822836984 606869418 /nfs/dbraw/zinc/86/94/18/606869418.db2.gz CYEQLYWRWBVFHT-UHFFFAOYSA-N -1 3 337.408 3.300 20 30 EGEDHM N#Cc1cccc(OCCCSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822836984 606869419 /nfs/dbraw/zinc/86/94/19/606869419.db2.gz CYEQLYWRWBVFHT-UHFFFAOYSA-N -1 3 337.408 3.300 20 30 EGEDHM C=C[C@@H](CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883028 607986032 /nfs/dbraw/zinc/98/60/32/607986032.db2.gz IXCBGESPVPZZRH-CABCVRRESA-N -1 3 347.422 3.404 20 30 EGEDHM C=C[C@@H](CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883028 607986033 /nfs/dbraw/zinc/98/60/33/607986033.db2.gz IXCBGESPVPZZRH-CABCVRRESA-N -1 3 347.422 3.404 20 30 EGEDHM N#Cc1cccc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1F ZINC000826386878 608389869 /nfs/dbraw/zinc/38/98/69/608389869.db2.gz WNARVZSKLCQTFJ-UHFFFAOYSA-N -1 3 348.385 3.042 20 30 EGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCCc3ccccc32)n1 ZINC000826350161 608540800 /nfs/dbraw/zinc/54/08/00/608540800.db2.gz 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PJRXZDHMUMPCGN-UHFFFAOYSA-N -1 3 341.842 3.235 20 30 EGEDHM N#Cc1c(F)cccc1N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768842069 1302992848 /nfs/dbraw/zinc/99/28/48/1302992848.db2.gz QBVPIOAGQXNTOU-UHFFFAOYSA-N -1 3 345.805 3.379 20 30 EGEDHM [O-]c1c(O)ccc(C=Nc2cc3c(cc2Cl)OCCCO3)c1O ZINC000769729359 1303166657 /nfs/dbraw/zinc/16/66/57/1303166657.db2.gz ONUZQYXGTWATAJ-UHFFFAOYSA-N -1 3 335.743 3.369 20 30 EGEDHM C=CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774839596 1303866060 /nfs/dbraw/zinc/86/60/60/1303866060.db2.gz MWQOGQFJIWLWIH-UHFFFAOYSA-N -1 3 328.368 3.497 20 30 EGEDHM Cc1ccc2[nH]c3c(c2c1)C[C@H](/N=C\c1c([O-])c(C)ncc1CO)CC3 ZINC000778517907 1304458462 /nfs/dbraw/zinc/45/84/62/1304458462.db2.gz MVHRBJBNVIQYDK-VEKQOBIDSA-N -1 3 349.434 3.354 20 30 EGEDHM CSc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)ccn1 ZINC000779197000 1304540640 /nfs/dbraw/zinc/54/06/40/1304540640.db2.gz KLMUCMBPAHFINI-NSHDSACASA-N -1 3 345.811 3.418 20 30 EGEDHM O=C1[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCCN1Cc1ccccn1 ZINC000783682765 1305128504 /nfs/dbraw/zinc/12/85/04/1305128504.db2.gz ZUFNVVPBCSLOGX-SJJOQSKNSA-N -1 3 343.814 3.051 20 30 EGEDHM CC(=NN[C@H](CO)c1ccccc1)c1cc(Br)ccc1[O-] ZINC000788469777 1305949592 /nfs/dbraw/zinc/94/95/92/1305949592.db2.gz RRQGINCXTYATMX-OAHLLOKOSA-N -1 3 349.228 3.202 20 30 EGEDHM N#Cc1cc(NC([O-])=NO[C@@H]2CCCCO2)ccc1OC(F)(F)F ZINC000799456707 1310555796 /nfs/dbraw/zinc/55/57/96/1310555796.db2.gz RKMKTHVRMLAJMD-GFCCVEGCSA-N -1 3 345.277 3.037 20 30 EGEDHM N#Cc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)ccc1OC(F)(F)F ZINC000799456707 1310555801 /nfs/dbraw/zinc/55/58/01/1310555801.db2.gz RKMKTHVRMLAJMD-GFCCVEGCSA-N -1 3 345.277 3.037 20 30 EGEDHM Cc1ncc(CO)c(C=NN[C@H](C)c2ccc(C(C)C)cc2)c1[O-] ZINC000917552287 1319834759 /nfs/dbraw/zinc/83/47/59/1319834759.db2.gz PPMRLAAGAPRYBL-CYBMUJFWSA-N -1 3 327.428 3.396 20 30 EGEDHM COc1ccc(CCC(=O)N([O-])Cc2ccc(F)cc2)cc1OC ZINC000901375499 1317412249 /nfs/dbraw/zinc/41/22/49/1317412249.db2.gz GMGOXUMDCCOAJR-UHFFFAOYSA-N -1 3 333.359 3.194 20 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CCn1ccnc1[C@@H]1OCC[C@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000849172053 1322093297 /nfs/dbraw/zinc/09/32/97/1322093297.db2.gz LIKYLAPNXLEGJE-WINXLAHZSA-N -1 3 333.819 3.459 20 30 EGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCc2ccccc21 ZINC000921241177 1322279700 /nfs/dbraw/zinc/27/97/00/1322279700.db2.gz OVOHQFHOIPTCOJ-GOSISDBHSA-N -1 3 336.391 3.439 20 30 EGEDHM CC(C)(C)OC(=O)C1(C([O-])=C(C#N)c2ccncn2)CCCCCC1 ZINC000850948589 1322314323 /nfs/dbraw/zinc/31/43/23/1322314323.db2.gz ULPPRQBDSGODDJ-AWEZNQCLSA-N -1 3 343.427 3.335 20 30 EGEDHM CC(C)(C)OC(=O)Nc1ccc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000860467266 1329320592 /nfs/dbraw/zinc/32/05/92/1329320592.db2.gz IFHOMLNBWMUYKF-CYBMUJFWSA-N -1 3 338.367 3.314 20 30 EGEDHM CC1(C)C[C@H](NN=Cc2c([O-])cccc2Br)CCO1 ZINC000863108297 1329528892 /nfs/dbraw/zinc/52/88/92/1329528892.db2.gz KFAKQLNLHSUKSI-SNVBAGLBSA-N -1 3 327.222 3.036 20 30 EGEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CC2(C)CCC2)c(C)c1[O-] ZINC001185103213 1387618887 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Cc1nc(C#N)c(NC(=O)c2cc(-n3c(C)ccc3C)ccc2[O-])o1 ZINC001186828405 1388011931 /nfs/dbraw/zinc/01/19/31/1388011931.db2.gz BFQINFAIGNYVCU-UHFFFAOYSA-N -1 3 336.351 3.220 20 30 EGEDHM N#Cc1ncc(Nc2cc(Br)cc(F)c2[O-])cc1F ZINC001203061945 1369970011 /nfs/dbraw/zinc/97/00/11/1369970011.db2.gz CSUUFUJSOSTZON-UHFFFAOYSA-N -1 3 326.100 3.443 20 30 EGEDHM CCOC(=O)c1cc(C#N)c(NC2=CC(=O)CC(C)(C)C2)c(C)c1[O-] ZINC001210153023 1372282514 /nfs/dbraw/zinc/28/25/14/1372282514.db2.gz HTTBLNYEVGXRPW-UHFFFAOYSA-N -1 3 342.395 3.434 20 30 EGEDHM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2nccn2CC)c1C1CC1 ZINC001123233819 1372403173 /nfs/dbraw/zinc/40/31/73/1372403173.db2.gz ODCUDXWICMXTJD-JSGCOSHPSA-N -1 3 325.416 3.438 20 30 EGEDHM CCCCCCCCS(=O)(=O)[N-]c1ccc(C(=O)OC)c(O)c1 ZINC001188013388 1388214409 /nfs/dbraw/zinc/21/44/09/1388214409.db2.gz WGJMYISYEPYJRY-UHFFFAOYSA-N -1 3 343.445 3.281 20 30 EGEDHM N#Cc1ccc(Oc2ccc(-c3noc(-c4cnn[n-]4)n3)cc2)cc1 ZINC001212799510 1372774283 /nfs/dbraw/zinc/77/42/83/1372774283.db2.gz YNUDCHSOPKABBR-UHFFFAOYSA-N -1 3 330.307 3.186 20 30 EGEDHM N#Cc1ccc(Oc2ccc(-c3noc(-c4c[n-]nn4)n3)cc2)cc1 ZINC001212799510 1372774284 /nfs/dbraw/zinc/77/42/84/1372774284.db2.gz YNUDCHSOPKABBR-UHFFFAOYSA-N -1 3 330.307 3.186 20 30 EGEDHM CC(C)(C)c1ccc(-c2noc(-c3ccc([O-])c(=O)[nH]3)n2)c(C#N)c1 ZINC001214536021 1373075890 /nfs/dbraw/zinc/07/58/90/1373075890.db2.gz SVVMPFUTXFAKHI-UHFFFAOYSA-N -1 3 336.351 3.379 20 30 EGEDHM Cc1nc(NC(=O)c2ccc(-c3ccc(C#N)c(F)c3)cc2)cc(=O)[n-]1 ZINC001188696522 1388362649 /nfs/dbraw/zinc/36/26/49/1388362649.db2.gz NHNQPRGOYBSDGH-UHFFFAOYSA-N -1 3 348.337 3.421 20 30 EGEDHM N#CC[C@@H](Oc1[n-]c(=O)nc2nc(Cl)ccc21)c1ccccc1 ZINC001226556124 1375281391 /nfs/dbraw/zinc/28/13/91/1375281391.db2.gz IODUJLAQNJVRDM-GFCCVEGCSA-N -1 3 326.743 3.418 20 30 EGEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cc(C)nc(=S)[n-]1 ZINC001226799893 1375338574 /nfs/dbraw/zinc/33/85/74/1375338574.db2.gz CLCBINYQBHMZGV-LBPRGKRZSA-N -1 3 337.445 3.018 20 30 EGEDHM COc1cc(O[C@H](C)CS)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227641771 1375458354 /nfs/dbraw/zinc/45/83/54/1375458354.db2.gz QKWWEDPLKBMVKY-MRVPVSSYSA-N -1 3 348.376 3.063 20 30 EGEDHM CC[C@@H]1OC(C)=C(Oc2nc3c(cccc3Br)[n-]2)C1=O ZINC001228681427 1375638813 /nfs/dbraw/zinc/63/88/13/1375638813.db2.gz IFYYZUNIIXMWES-JTQLQIEISA-N -1 3 337.173 3.314 20 30 EGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCCN(c2ccc(C)cn2)C1 ZINC001233804393 1376721629 /nfs/dbraw/zinc/72/16/29/1376721629.db2.gz YZIGXYKKSUENCF-SVZNOHIVSA-N -1 3 341.411 3.255 20 30 EGEDHM N#Cc1cc([O-])cc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001234142063 1376777214 /nfs/dbraw/zinc/77/72/14/1376777214.db2.gz SPMUPZJYKLWSKA-UHFFFAOYSA-N -1 3 339.351 3.220 20 30 EGEDHM C=CCNC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nc1 ZINC001244458223 1377037041 /nfs/dbraw/zinc/03/70/41/1377037041.db2.gz CZAZCCYSHHLJGC-UHFFFAOYSA-N -1 3 338.285 3.269 20 30 EGEDHM Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001147954029 1379101574 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N#Cc1c[nH]nc1[N-]C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC001299776058 1383626902 /nfs/dbraw/zinc/62/69/02/1383626902.db2.gz KTOVBMIIMIOAFI-UHFFFAOYSA-N -1 3 347.256 3.207 20 30 EGEDHM N#Cc1cccc(Br)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430290 1385286106 /nfs/dbraw/zinc/28/61/06/1385286106.db2.gz OIYJMNPMUNKWSY-UHFFFAOYSA-N -1 3 341.172 3.244 20 30 EGEDHM CCN1CCN(c2ccc(Nc3scc([O-])c3C#N)cc2)CC1 ZINC001175783233 1385404607 /nfs/dbraw/zinc/40/46/07/1385404607.db2.gz HNHOJGRQJIAHII-UHFFFAOYSA-N -1 3 328.441 3.211 20 30 EGEDHM C=CCn1c(=O)[n-]nc1SCCc1ccc(OC(F)(F)F)cc1 ZINC001319909712 1386383068 /nfs/dbraw/zinc/38/30/68/1386383068.db2.gz QTKDQHBMBNILQS-UHFFFAOYSA-N -1 3 345.346 3.403 20 30 EGEDHM N#Cc1cc(NC(=O)Cc2ccc(F)cc2Br)ccc1[O-] ZINC001179627697 1386534816 /nfs/dbraw/zinc/53/48/16/1386534816.db2.gz SFOYISDLKCABIG-UHFFFAOYSA-N -1 3 349.159 3.347 20 30 EGEDHM Cc1cc(C)n2ncc(C([O-])=C(C#N)c3nc4cccc(C)c4[nH]3)c2n1 ZINC001343348848 1390708690 /nfs/dbraw/zinc/70/86/90/1390708690.db2.gz STMSQAXPVRYCCK-ZDUSSCGKSA-N -1 3 344.378 3.021 20 30 EGEDHM N#CCc1cccc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)c1 ZINC001343991827 1390748919 /nfs/dbraw/zinc/74/89/19/1390748919.db2.gz YIADZLGAKXIVNY-LJQANCHMSA-N -1 3 340.386 3.488 20 30 EGEDHM Cc1nc(CSCC(=O)N([O-])Cc2ccc(F)cc2)cs1 ZINC001353964019 1392110304 /nfs/dbraw/zinc/11/03/04/1392110304.db2.gz WBAXXDFXGJBZQZ-UHFFFAOYSA-N -1 3 326.418 3.242 20 30 EGEDHM C=CC(C)(C)CC(=O)N[C@H](C)CCCNC(=O)c1ccccc1[O-] ZINC001756308032 1441002089 /nfs/dbraw/zinc/00/20/89/1441002089.db2.gz DUZSLFZSXFSABT-CQSZACIVSA-N -1 3 332.444 3.009 20 30 EGEDHM C=CC(C)(C)CCCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001573308134 947184792 /nfs/dbraw/zinc/18/47/92/947184792.db2.gz YCVFOYOFYGBFOR-JKSUJKDBSA-N -1 3 339.443 3.079 20 30 EGEDHM C=CC(C)(C)CCCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001573308134 947184796 /nfs/dbraw/zinc/18/47/96/947184796.db2.gz YCVFOYOFYGBFOR-JKSUJKDBSA-N -1 3 339.443 3.079 20 30 EGEDHM C=CCC1(NC(=O)c2cccc(-c3nnn[n-]3)c2C)CCCCC1 ZINC001573328851 947414365 /nfs/dbraw/zinc/41/43/65/947414365.db2.gz CYYWNBZRCKBUNT-UHFFFAOYSA-N -1 3 325.416 3.184 20 30 EGEDHM C=CCC1(NC(=O)c2cccc(-c3nn[n-]n3)c2C)CCCCC1 ZINC001573328851 947414369 /nfs/dbraw/zinc/41/43/69/947414369.db2.gz CYYWNBZRCKBUNT-UHFFFAOYSA-N -1 3 325.416 3.184 20 30 EGEDHM C=CC[C@@H]1CCCN(c2cc(Br)ccc2-c2nnn[n-]2)C1 ZINC001573328925 947415835 /nfs/dbraw/zinc/41/58/35/947415835.db2.gz DYWVLIVINVVXLW-LLVKDONJSA-N -1 3 348.248 3.422 20 30 EGEDHM C=CC[C@@H]1CCCN(c2cc(Br)ccc2-c2nn[n-]n2)C1 ZINC001573328925 947415843 /nfs/dbraw/zinc/41/58/43/947415843.db2.gz DYWVLIVINVVXLW-LLVKDONJSA-N -1 3 348.248 3.422 20 30 EGEDHM C=CCCCCCCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001573334927 947466947 /nfs/dbraw/zinc/46/69/47/947466947.db2.gz JRPYMADDPVWFKR-UHFFFAOYSA-N -1 3 345.407 3.296 20 30 EGEDHM C=CCCCCCCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001573334927 947466954 /nfs/dbraw/zinc/46/69/54/947466954.db2.gz JRPYMADDPVWFKR-UHFFFAOYSA-N -1 3 345.407 3.296 20 30 EGEDHM C=CCC[C@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573334975 947467324 /nfs/dbraw/zinc/46/73/24/947467324.db2.gz SMJSBZZINPHAHT-INIZCTEOSA-N -1 3 348.410 3.007 20 30 EGEDHM C=CCC[C@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573334975 947467328 /nfs/dbraw/zinc/46/73/28/947467328.db2.gz SMJSBZZINPHAHT-INIZCTEOSA-N -1 3 348.410 3.007 20 30 EGEDHM C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001573335083 947472266 /nfs/dbraw/zinc/47/22/66/947472266.db2.gz KYEOTPXHYUSJPO-DLBZAZTESA-N -1 3 339.443 3.175 20 30 EGEDHM C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001573335083 947472271 /nfs/dbraw/zinc/47/22/71/947472271.db2.gz KYEOTPXHYUSJPO-DLBZAZTESA-N -1 3 339.443 3.175 20 30 EGEDHM N#Cc1cccnc1Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826387487 948190635 /nfs/dbraw/zinc/19/06/35/948190635.db2.gz XNIHPRJGJAQLKP-UHFFFAOYSA-N -1 3 348.313 3.303 20 30 EGEDHM N#Cc1cccnc1Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826387487 948190639 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