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COc1cccc2c(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCC3)[n-]nc21 ZINC000808674289 593279053 /nfs/dbraw/zinc/27/90/53/593279053.db2.gz PUHKVSDVPJGNJA-JTQLQIEISA-N -1 3 342.355 1.679 20 30 EDEDHM COc1cccc2c(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCC3)n[n-]c21 ZINC000808674289 593279054 /nfs/dbraw/zinc/27/90/54/593279054.db2.gz PUHKVSDVPJGNJA-JTQLQIEISA-N -1 3 342.355 1.679 20 30 EDEDHM C=CCN(CC=C)C(=O)COC(=O)c1[n-]nc2c1cccc2OC ZINC000808674380 593279603 /nfs/dbraw/zinc/27/96/03/593279603.db2.gz RMWYCNGYUINWNM-UHFFFAOYSA-N -1 3 329.356 1.929 20 30 EDEDHM C=CCN(CC=C)C(=O)COC(=O)c1n[n-]c2c1cccc2OC ZINC000808674380 593279606 /nfs/dbraw/zinc/27/96/06/593279606.db2.gz RMWYCNGYUINWNM-UHFFFAOYSA-N -1 3 329.356 1.929 20 30 EDEDHM C#C[C@@H](NC(=O)C(=O)[N-]c1nccn1-c1ccccc1)[C@H]1CCCO1 ZINC000839516531 593309208 /nfs/dbraw/zinc/30/92/08/593309208.db2.gz INPNPYZILGXTTL-HUUCEWRRSA-N -1 3 338.367 1.108 20 30 EDEDHM C=CCN1CCC(NC(=O)C(=O)[N-]OCc2ccccc2OC)CC1 ZINC000804894193 593316186 /nfs/dbraw/zinc/31/61/86/593316186.db2.gz 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C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C#N)cn1C ZINC000819745659 593766761 /nfs/dbraw/zinc/76/67/61/593766761.db2.gz OHCRFYNZRHIWGJ-UHFFFAOYSA-N -1 3 347.382 1.905 20 30 EDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C#N)cn1C ZINC000819745659 593766762 /nfs/dbraw/zinc/76/67/62/593766762.db2.gz OHCRFYNZRHIWGJ-UHFFFAOYSA-N -1 3 347.382 1.905 20 30 EDEDHM C=CCOCCCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000819758792 593767242 /nfs/dbraw/zinc/76/72/42/593767242.db2.gz HKAQLLTYTMMEBW-UHFFFAOYSA-N -1 3 335.393 1.090 20 30 EDEDHM C=CCOCCCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000819758792 593767243 /nfs/dbraw/zinc/76/72/43/593767243.db2.gz HKAQLLTYTMMEBW-UHFFFAOYSA-N -1 3 335.393 1.090 20 30 EDEDHM C[C@H](C#N)CN(C)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819844895 593771889 /nfs/dbraw/zinc/77/18/89/593771889.db2.gz NQTQALGQPBBJPC-LLVKDONJSA-N -1 3 328.376 1.642 20 30 EDEDHM C[C@H](C#N)CN(C)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819844895 593771890 /nfs/dbraw/zinc/77/18/90/593771890.db2.gz 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335.323 1.609 20 30 EDEDHM C#Cc1ccc(C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)nc1 ZINC000823861418 593874404 /nfs/dbraw/zinc/87/44/04/593874404.db2.gz HQTLRELORVOPDL-UHFFFAOYSA-N -1 3 335.323 1.609 20 30 EDEDHM C=C(C)[C@H](CO)N1CCN(c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000823872751 593876275 /nfs/dbraw/zinc/87/62/75/593876275.db2.gz DEUXONVIWXTPLI-HNNXBMFYSA-N -1 3 332.383 1.065 20 30 EDEDHM C=C(C)[C@H](CO)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000823872751 593876278 /nfs/dbraw/zinc/87/62/78/593876278.db2.gz DEUXONVIWXTPLI-HNNXBMFYSA-N -1 3 332.383 1.065 20 30 EDEDHM CC(=NOCCOc1ccccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC000823962478 593895405 /nfs/dbraw/zinc/89/54/05/593895405.db2.gz KONLFZYYZGSUFC-UHFFFAOYSA-N -1 3 327.348 1.420 20 30 EDEDHM CC(=NOCCOc1ccccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC000823962478 593895407 /nfs/dbraw/zinc/89/54/07/593895407.db2.gz KONLFZYYZGSUFC-UHFFFAOYSA-N -1 3 327.348 1.420 20 30 EDEDHM CC(C)(C#N)CCOC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824059417 593920828 /nfs/dbraw/zinc/92/08/28/593920828.db2.gz UFCLTGIUQIBKTR-UHFFFAOYSA-N -1 3 342.359 1.080 20 30 EDEDHM CC(C)(C#N)CCOC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824059417 593920829 /nfs/dbraw/zinc/92/08/29/593920829.db2.gz UFCLTGIUQIBKTR-UHFFFAOYSA-N -1 3 342.359 1.080 20 30 EDEDHM C=C[C@H](C)ON=C([O-])Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC000824227428 593961673 /nfs/dbraw/zinc/96/16/73/593961673.db2.gz ACVNHCRMZYPSPB-LBPRGKRZSA-N -1 3 339.417 1.850 20 30 EDEDHM C=C[C@H](C)O[N-]C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC000824227428 593961675 /nfs/dbraw/zinc/96/16/75/593961675.db2.gz ACVNHCRMZYPSPB-LBPRGKRZSA-N -1 3 339.417 1.850 20 30 EDEDHM Cc1c(NCC(=O)N(CCC#N)CCC#N)cccc1-c1nnn[n-]1 ZINC000822116710 593996094 /nfs/dbraw/zinc/99/60/94/593996094.db2.gz WRLXLFCEMAGWFT-UHFFFAOYSA-N -1 3 338.375 1.243 20 30 EDEDHM Cc1c(NCC(=O)N(CCC#N)CCC#N)cccc1-c1nn[n-]n1 ZINC000822116710 593996097 /nfs/dbraw/zinc/99/60/97/593996097.db2.gz WRLXLFCEMAGWFT-UHFFFAOYSA-N -1 3 338.375 1.243 20 30 EDEDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1cccc(C#N)c1 ZINC000822222549 594013767 /nfs/dbraw/zinc/01/37/67/594013767.db2.gz LLIASMGQMPBDTB-UHFFFAOYSA-N -1 3 341.352 1.815 20 30 EDEDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1cccc(C#N)c1 ZINC000822222549 594013770 /nfs/dbraw/zinc/01/37/70/594013770.db2.gz LLIASMGQMPBDTB-UHFFFAOYSA-N -1 3 341.352 1.815 20 30 EDEDHM Cc1ncc(CO)c(C=NCc2cc(-c3nnn[n-]3)ccc2F)c1O ZINC000822471783 594053521 /nfs/dbraw/zinc/05/35/21/594053521.db2.gz JTLDTKKFOVNIPT-CNHKJKLMSA-N -1 3 342.334 1.526 20 30 EDEDHM Cc1sc(NC(=O)CN(C)[C@@H](C)CC#N)c(-c2nnn[n-]2)c1C ZINC000822558548 594066885 /nfs/dbraw/zinc/06/68/85/594066885.db2.gz QSOQACJPAQOXFT-QMMMGPOBSA-N -1 3 333.421 1.718 20 30 EDEDHM Cc1sc(NC(=O)CN(C)[C@@H](C)CC#N)c(-c2nn[n-]n2)c1C ZINC000822558548 594066887 /nfs/dbraw/zinc/06/68/87/594066887.db2.gz QSOQACJPAQOXFT-QMMMGPOBSA-N -1 3 333.421 1.718 20 30 EDEDHM CC1(C#N)CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824777609 594073130 /nfs/dbraw/zinc/07/31/30/594073130.db2.gz KQJDJGAHEIDSSH-ZDUSSCGKSA-N -1 3 326.360 1.052 20 30 EDEDHM CC1(C#N)CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824777609 594073132 /nfs/dbraw/zinc/07/31/32/594073132.db2.gz KQJDJGAHEIDSSH-ZDUSSCGKSA-N -1 3 326.360 1.052 20 30 EDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1 ZINC000822623205 594075355 /nfs/dbraw/zinc/07/53/55/594075355.db2.gz RGRCPESJTKEKJU-LBPRGKRZSA-N -1 3 335.327 1.166 20 30 EDEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1 ZINC000822623205 594075357 /nfs/dbraw/zinc/07/53/57/594075357.db2.gz RGRCPESJTKEKJU-LBPRGKRZSA-N -1 3 335.327 1.166 20 30 EDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000822631616 594076703 /nfs/dbraw/zinc/07/67/03/594076703.db2.gz BIOPDDSOEQBAKV-GFCCVEGCSA-N -1 3 325.307 1.339 20 30 EDEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000822631616 594076704 /nfs/dbraw/zinc/07/67/04/594076704.db2.gz BIOPDDSOEQBAKV-GFCCVEGCSA-N -1 3 325.307 1.339 20 30 EDEDHM 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/nfs/dbraw/zinc/18/25/66/268182566.db2.gz QFSLRZOGWIEULU-LLVKDONJSA-N -1 3 349.790 1.829 20 30 EDEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)[N-]c1cnns1 ZINC000277547223 268560967 /nfs/dbraw/zinc/56/09/67/268560967.db2.gz SQHXMSVCDQJSFX-UHFFFAOYSA-N -1 3 345.384 1.023 20 30 EDEDHM N#Cc1ccc(C(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)nc1 ZINC000107766041 272921738 /nfs/dbraw/zinc/92/17/38/272921738.db2.gz GKTOHBWYLMESIZ-UHFFFAOYSA-N -1 3 336.351 1.257 20 30 EDEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@@H]1CO ZINC000373799234 295002707 /nfs/dbraw/zinc/00/27/07/295002707.db2.gz HONCPWDLWIGFKO-CXAGYDPISA-N -1 3 343.408 1.528 20 30 EDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCN1CCC[C@@H](C)C1 ZINC000047148026 441160521 /nfs/dbraw/zinc/16/05/21/441160521.db2.gz IKTIQYZIPWOMKP-CYBMUJFWSA-N -1 3 344.459 1.644 20 30 EDEDHM N#Cc1ccc(NCC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000064725214 441389682 /nfs/dbraw/zinc/38/96/82/441389682.db2.gz GLLLJLCDZSYJGJ-UHFFFAOYSA-N -1 3 338.367 1.222 20 30 EDEDHM COCCN(C)CCCNC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000063744327 441349572 /nfs/dbraw/zinc/34/95/72/441349572.db2.gz VREAJKRCSGOFNG-UHFFFAOYSA-N -1 3 338.433 1.079 20 30 EDEDHM Cn1cnnc1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000056034415 441683733 /nfs/dbraw/zinc/68/37/33/441683733.db2.gz VOSBLHUNJJRBRD-UHFFFAOYSA-N -1 3 345.306 1.184 20 30 EDEDHM N#CCc1ccc(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)cc1 ZINC000091750551 441735086 /nfs/dbraw/zinc/73/50/86/441735086.db2.gz YWUABSXQUSXUDI-INIZCTEOSA-N -1 3 348.362 1.755 20 30 EDEDHM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCN(CC3CC3)C2)c(F)c1 ZINC000125268920 442004672 /nfs/dbraw/zinc/00/46/72/442004672.db2.gz ZRNJBWNEUQRKQJ-LBPRGKRZSA-N -1 3 341.383 1.599 20 30 EDEDHM CC(C)[C@@H](O)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000120672178 442114407 /nfs/dbraw/zinc/11/44/07/442114407.db2.gz PCGUEWMHOCAUNN-NSHDSACASA-N -1 3 336.335 1.872 20 30 EDEDHM N#CC1(CS(=O)(=O)[N-]CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000164803461 442202751 /nfs/dbraw/zinc/20/27/51/442202751.db2.gz MEMKFGDYRFBAJW-UHFFFAOYSA-N -1 3 327.793 1.502 20 30 EDEDHM CC1(C)CC(=O)C(C=Nc2cccc3c(=O)[nH][n-]c(=O)c23)C(=O)C1 ZINC000121016957 442165500 /nfs/dbraw/zinc/16/55/00/442165500.db2.gz YCSQCAXNFFFNOT-UHFFFAOYSA-N -1 3 327.340 1.470 20 30 EDEDHM CC1(C)CC(=O)C(=CNc2cccc3c(=O)[n-][nH]c(=O)c23)C(=O)C1 ZINC000121016957 442165504 /nfs/dbraw/zinc/16/55/04/442165504.db2.gz YCSQCAXNFFFNOT-UHFFFAOYSA-N -1 3 327.340 1.470 20 30 EDEDHM COC(=O)[C@@](C)(NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CC1 ZINC000130310503 442343169 /nfs/dbraw/zinc/34/31/69/442343169.db2.gz HXRRVSGXZJHVJQ-SFHVURJKSA-N -1 3 345.399 1.254 20 30 EDEDHM N#Cc1ccc(N2CCC([N-]S(=O)(=O)c3ccccn3)CC2)nc1 ZINC000131696219 442378049 /nfs/dbraw/zinc/37/80/49/442378049.db2.gz QLJVGXDXPBASHP-UHFFFAOYSA-N -1 3 343.412 1.296 20 30 EDEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCN1CCCCC1 ZINC000156499151 442486670 /nfs/dbraw/zinc/48/66/70/442486670.db2.gz ZOGYYNPKRVUKMA-UHFFFAOYSA-N -1 3 338.389 1.231 20 30 EDEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCO[C@H]2CCOC2)c(Cl)c1 ZINC000180129131 442546656 /nfs/dbraw/zinc/54/66/56/442546656.db2.gz OBQSMMQWGDQCTJ-LBPRGKRZSA-N -1 3 344.820 1.686 20 30 EDEDHM CC(C)C[C@H]([N-]S(=O)(=O)CCCC#N)C(=O)Nc1nccs1 ZINC000179410018 442643458 /nfs/dbraw/zinc/64/34/58/442643458.db2.gz DGWARKUNQLKHID-NSHDSACASA-N -1 3 344.462 1.719 20 30 EDEDHM CN1CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1=O ZINC000192655569 442673032 /nfs/dbraw/zinc/67/30/32/442673032.db2.gz YAAZZQDEPUQQIN-SECBINFHSA-N -1 3 327.793 1.111 20 30 EDEDHM N#CCCCOc1cccc(CN2CCC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000193466702 442745441 /nfs/dbraw/zinc/74/54/41/442745441.db2.gz UPTFHNKALFJKAV-SFHVURJKSA-N -1 3 342.399 1.543 20 30 EDEDHM Cc1nc(C#N)c(N2CCC(C(=O)Nc3ncccc3[O-])CC2)o1 ZINC000188890472 442836200 /nfs/dbraw/zinc/83/62/00/442836200.db2.gz HEPKQRXFKIGYFB-UHFFFAOYSA-N -1 3 327.344 1.810 20 30 EDEDHM C=CCCCCCN(C)S(=O)(=O)c1[n-]ncc1C(=O)OCC ZINC000265841508 442941353 /nfs/dbraw/zinc/94/13/53/442941353.db2.gz WRQZFNCPOUECAN-UHFFFAOYSA-N -1 3 329.422 1.953 20 30 EDEDHM C=CCCCCCN(C)S(=O)(=O)c1n[n-]cc1C(=O)OCC ZINC000265841508 442941357 /nfs/dbraw/zinc/94/13/57/442941357.db2.gz WRQZFNCPOUECAN-UHFFFAOYSA-N -1 3 329.422 1.953 20 30 EDEDHM Cc1ncc(CO)c(/C=N/c2ccc3c(c2)S(=O)(=O)CC3)c1[O-] ZINC000268627372 443057029 /nfs/dbraw/zinc/05/70/29/443057029.db2.gz WSHDJPZXBOLUQT-QGMBQPNBSA-N -1 3 332.381 1.668 20 30 EDEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1CCCO1 ZINC000278789899 443440075 /nfs/dbraw/zinc/44/00/75/443440075.db2.gz QKJNZMJFDSRBKE-STQMWFEESA-N -1 3 344.820 1.684 20 30 EDEDHM CC[C@H](C#N)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000271867811 443516720 /nfs/dbraw/zinc/51/67/20/443516720.db2.gz JKBMEEHQZVAWCG-SECBINFHSA-N -1 3 349.409 1.168 20 30 EDEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCC(=O)NC12CCC2 ZINC000283287995 443589722 /nfs/dbraw/zinc/58/97/22/443589722.db2.gz UTENELCMNVFWMC-CYBMUJFWSA-N -1 3 337.376 1.177 20 30 EDEDHM COC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(F)c(C)c1 ZINC000274287469 443602305 /nfs/dbraw/zinc/60/23/05/443602305.db2.gz YRQXKEOXRWXSSJ-AWEZNQCLSA-N -1 3 342.392 1.962 20 30 EDEDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@]1(C#N)CC1(C)C ZINC000292569072 443801430 /nfs/dbraw/zinc/80/14/30/443801430.db2.gz UOLDOPMAQMEQLR-TVQRCGJNSA-N -1 3 327.431 1.223 20 30 EDEDHM COC(=O)c1cc(S(=O)(=O)N[C@](C)(C#N)CSC)ccc1[O-] ZINC000285103144 443857034 /nfs/dbraw/zinc/85/70/34/443857034.db2.gz NPLSYYMQWQARCC-CYBMUJFWSA-N -1 3 344.414 1.102 20 30 EDEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)C(=O)N1CCCC[C@@H]1C ZINC000277110582 443915534 /nfs/dbraw/zinc/91/55/34/443915534.db2.gz XVWOAAVASBZDFJ-NWDGAFQWSA-N -1 3 336.417 1.021 20 30 EDEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000281609444 443957774 /nfs/dbraw/zinc/95/77/74/443957774.db2.gz SKWYXLZJKUSTRV-LBPRGKRZSA-N -1 3 346.474 1.570 20 30 EDEDHM C=CCSCC[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000299286675 444007016 /nfs/dbraw/zinc/00/70/16/444007016.db2.gz AQJXDWLIJKVGOF-UHFFFAOYSA-N -1 3 334.488 1.582 20 30 EDEDHM C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000282198764 444113095 /nfs/dbraw/zinc/11/30/95/444113095.db2.gz OKGAGXLWWZOVTH-QMMMGPOBSA-N -1 3 340.796 1.443 20 30 EDEDHM C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000282198764 444113098 /nfs/dbraw/zinc/11/30/98/444113098.db2.gz OKGAGXLWWZOVTH-QMMMGPOBSA-N -1 3 340.796 1.443 20 30 EDEDHM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)C2 ZINC000289462658 444150927 /nfs/dbraw/zinc/15/09/27/444150927.db2.gz HBUNFRPPPSEQTI-CYBMUJFWSA-N -1 3 329.381 1.544 20 30 EDEDHM N#C[C@@]1(C(=O)NCCNC(=O)c2ccc([O-])cc2)CC12CCCC2 ZINC000294990058 444163616 /nfs/dbraw/zinc/16/36/16/444163616.db2.gz YZJRZAFEBIEUKM-GOSISDBHSA-N -1 3 327.384 1.712 20 30 EDEDHM CCN1CCO[C@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000318401547 444319231 /nfs/dbraw/zinc/31/92/31/444319231.db2.gz GQJHHIDPONSNDO-GFCCVEGCSA-N -1 3 343.836 1.211 20 30 EDEDHM CC(=O)N1CC[C@H](NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1 ZINC000330982210 444345294 /nfs/dbraw/zinc/34/52/94/444345294.db2.gz FKIKKYNFNYAKPE-NSHDSACASA-N -1 3 343.380 1.123 20 30 EDEDHM C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000328928211 444408074 /nfs/dbraw/zinc/40/80/74/444408074.db2.gz XSMPZBMHYSKZEV-WPRPVWTQSA-N -1 3 337.767 1.788 20 30 EDEDHM N#CC1(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CCCC1 ZINC000331755162 444486408 /nfs/dbraw/zinc/48/64/08/444486408.db2.gz BRQOTISDTRHQTF-UHFFFAOYSA-N -1 3 349.412 1.955 20 30 EDEDHM N#Cc1c([N-]C(=O)c2coc(C3CCOCC3)n2)n[nH]c1C1CC1 ZINC000329294608 444524582 /nfs/dbraw/zinc/52/45/82/444524582.db2.gz JSQGYPVVKQEVCU-UHFFFAOYSA-N -1 3 327.344 2.293 20 30 EDEDHM C=CC[C@H](CC)NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000343765840 444575271 /nfs/dbraw/zinc/57/52/71/444575271.db2.gz KIMBVCJFVZWNOO-JQWIXIFHSA-N -1 3 329.422 1.429 20 30 EDEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000611028903 450414484 /nfs/dbraw/zinc/41/44/84/450414484.db2.gz GSKUKGUPNBEDIR-ONGXEEELSA-N -1 3 329.447 1.916 20 30 EDEDHM O=C(CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)NC[C@H]1Cc2ccccc2O1 ZINC000329470689 444592933 /nfs/dbraw/zinc/59/29/33/444592933.db2.gz YZZGPGAYDRISCF-OLZOCXBDSA-N -1 3 344.371 1.023 20 30 EDEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000333088436 444636600 /nfs/dbraw/zinc/63/66/00/444636600.db2.gz AMILVRNCSDOXIB-UPJWGTAASA-N -1 3 325.434 1.792 20 30 EDEDHM C=CCN1CCC([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)CC1 ZINC000333132397 444641592 /nfs/dbraw/zinc/64/15/92/444641592.db2.gz IBPLFLRPNSPWIO-ZDUSSCGKSA-N -1 3 338.477 1.709 20 30 EDEDHM CC(C)(C)c1n[n-]c(S(=O)(=O)CCCC2(C#N)CCOCC2)n1 ZINC000341202613 444726231 /nfs/dbraw/zinc/72/62/31/444726231.db2.gz XUWSIUNHDGBJOS-UHFFFAOYSA-N -1 3 340.449 1.976 20 30 EDEDHM CC(C)(C)c1nnc(S(=O)(=O)CCCC2(C#N)CCOCC2)[n-]1 ZINC000341202613 444726235 /nfs/dbraw/zinc/72/62/35/444726235.db2.gz XUWSIUNHDGBJOS-UHFFFAOYSA-N -1 3 340.449 1.976 20 30 EDEDHM Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2csc(=O)[n-]2)cn1 ZINC000329988954 444800846 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O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCCCCCCC1 ZINC000836926700 595015136 /nfs/dbraw/zinc/01/51/36/595015136.db2.gz HNUFLKSPBOBROS-UHFFFAOYSA-N -1 3 349.456 1.908 20 30 EDEDHM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000846151855 595158245 /nfs/dbraw/zinc/15/82/45/595158245.db2.gz IMWMSLCUPXQFNM-AWEZNQCLSA-N -1 3 346.431 1.389 20 30 EDEDHM Cc1nc(C)c(CC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c(=O)[n-]1 ZINC000846339738 595210654 /nfs/dbraw/zinc/21/06/54/595210654.db2.gz ZPHPEWWPIUDFSI-MRXNPFEDSA-N -1 3 340.383 1.405 20 30 EDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](F)C2)ccc1F ZINC000846629650 595289153 /nfs/dbraw/zinc/28/91/53/595289153.db2.gz HEAVNIKSHMVONQ-LBPRGKRZSA-N -1 3 344.383 1.864 20 30 EDEDHM N#Cc1nc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)[n-]c1C#N ZINC000846632149 595289584 /nfs/dbraw/zinc/28/95/84/595289584.db2.gz WGFKDZYQMHBMNJ-HTQZYQBOSA-N -1 3 327.266 1.839 20 30 EDEDHM C[C@@H](CC(=O)N[C@@H]1CCCN([O-])C1=O)n1cc(Br)cn1 ZINC000848130473 595323075 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CCc1c(C(=O)N[C@@H]2CCCN([O-])C2=O)cnn1-c1ccc(C)cc1 ZINC000848138119 595326451 /nfs/dbraw/zinc/32/64/51/595326451.db2.gz MNPIWWMEBRHJQI-OAHLLOKOSA-N -1 3 342.399 1.853 20 30 EDEDHM C#CCOc1ccc(C[N-]S(=O)(=O)N=S2(=O)CCCC2)cc1 ZINC000867355014 595334308 /nfs/dbraw/zinc/33/43/08/595334308.db2.gz ONKMXNZBMGBETO-UHFFFAOYSA-N -1 3 342.442 1.295 20 30 EDEDHM C#CCOc1ccc(C[N-]S(=O)(=O)N=S(=O)(CC)CC)cc1 ZINC000867355642 595336383 /nfs/dbraw/zinc/33/63/83/595336383.db2.gz ZDNZVCIEMGUIIX-UHFFFAOYSA-N -1 3 344.458 1.541 20 30 EDEDHM C=C[C@@H](C)ON=C([O-])Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000844554298 595358434 /nfs/dbraw/zinc/35/84/34/595358434.db2.gz IWIFOQOOYMRNEU-CYBMUJFWSA-N -1 3 349.387 1.552 20 30 EDEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000844554298 595358436 /nfs/dbraw/zinc/35/84/36/595358436.db2.gz IWIFOQOOYMRNEU-CYBMUJFWSA-N -1 3 349.387 1.552 20 30 EDEDHM COc1cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)ccc1C#N ZINC000847182408 595373238 /nfs/dbraw/zinc/37/32/38/595373238.db2.gz RGDKOVNGLWZQBH-LBPRGKRZSA-N -1 3 326.360 1.085 20 30 EDEDHM C#C[C@@H]1CCCN(C(=O)C(=O)[N-]c2sccc2C(=O)OCC)C1 ZINC000847559108 595447324 /nfs/dbraw/zinc/44/73/24/595447324.db2.gz DXPJGPNPEQUVCP-LLVKDONJSA-N -1 3 334.397 1.735 20 30 EDEDHM COC(=O)N(C)CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000849470266 595543642 /nfs/dbraw/zinc/54/36/42/595543642.db2.gz HPPFTCLAIVLVIR-UHFFFAOYSA-N -1 3 331.781 1.188 20 30 EDEDHM C#CCC1(OC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CCC1 ZINC000850994131 595697118 /nfs/dbraw/zinc/69/71/18/595697118.db2.gz AYPVMYJRNFQTFX-KRWDZBQOSA-N -1 3 326.352 1.844 20 30 EDEDHM C[C@H](CC(=O)N[C@H]1C=CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000855427667 595708786 /nfs/dbraw/zinc/70/87/86/595708786.db2.gz IZIOSYIGKVJHAG-NEPJUHHUSA-N -1 3 333.413 1.339 20 30 EDEDHM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1nnc2ccccc2c1[O-] ZINC000855493626 595728461 /nfs/dbraw/zinc/72/84/61/595728461.db2.gz HAKXZXLRBGZHHJ-UHFFFAOYSA-N -1 3 341.367 1.753 20 30 EDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@]2(C)OC)ccc1F 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C[C@@H]1CCC[C@@](C#N)(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000824928139 594099020 /nfs/dbraw/zinc/09/90/20/594099020.db2.gz RKYAOYSCVVXLSW-BDJLRTHQSA-N -1 3 340.391 1.262 20 30 EDEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000824928139 594099021 /nfs/dbraw/zinc/09/90/21/594099021.db2.gz RKYAOYSCVVXLSW-BDJLRTHQSA-N -1 3 340.391 1.262 20 30 EDEDHM N#CCCN(C[C@H](O)COc1ccc(-c2nnn[n-]2)cc1)CC1CC1 ZINC000822805849 594103373 /nfs/dbraw/zinc/10/33/73/594103373.db2.gz FNVYWDZOUACUDT-HNNXBMFYSA-N -1 3 342.403 1.232 20 30 EDEDHM N#CCCN(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)CC1CC1 ZINC000822805849 594103375 /nfs/dbraw/zinc/10/33/75/594103375.db2.gz FNVYWDZOUACUDT-HNNXBMFYSA-N -1 3 342.403 1.232 20 30 EDEDHM N#Cc1ccc(CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822826446 594107267 /nfs/dbraw/zinc/10/72/67/594107267.db2.gz YUXUOBXCKYTFTN-UHFFFAOYSA-N -1 3 336.330 1.736 20 30 EDEDHM N#Cc1ccc(CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822826446 594107269 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Cc1nc(CCSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cs1 ZINC000826325699 594426294 /nfs/dbraw/zinc/42/62/94/594426294.db2.gz ISFYVCSVXRPSAH-UHFFFAOYSA-N -1 3 344.429 1.815 20 30 EDEDHM Cc1nc(CCSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cs1 ZINC000826325699 594426296 /nfs/dbraw/zinc/42/62/96/594426296.db2.gz ISFYVCSVXRPSAH-UHFFFAOYSA-N -1 3 344.429 1.815 20 30 EDEDHM N#C[C@H]1CSCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826380881 594451970 /nfs/dbraw/zinc/45/19/70/594451970.db2.gz PCCSWCRTVVUBAP-NSHDSACASA-N -1 3 346.441 1.426 20 30 EDEDHM N#C[C@H]1CSCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826380881 594451972 /nfs/dbraw/zinc/45/19/72/594451972.db2.gz PCCSWCRTVVUBAP-NSHDSACASA-N -1 3 346.441 1.426 20 30 EDEDHM N#CCC1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826380742 594452060 /nfs/dbraw/zinc/45/20/60/594452060.db2.gz LDZBOEGHAOPNOP-UHFFFAOYSA-N -1 3 325.376 1.702 20 30 EDEDHM N#CCC1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826380742 594452062 /nfs/dbraw/zinc/45/20/62/594452062.db2.gz LDZBOEGHAOPNOP-UHFFFAOYSA-N -1 3 325.376 1.702 20 30 EDEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2cnoc2C2CC2)nc1N ZINC000826383837 594453666 /nfs/dbraw/zinc/45/36/66/594453666.db2.gz SNMVNIAVAPIBML-UHFFFAOYSA-N -1 3 340.372 1.873 20 30 EDEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2cnoc2C2CC2)nc1N ZINC000826383837 594453669 /nfs/dbraw/zinc/45/36/69/594453669.db2.gz SNMVNIAVAPIBML-UHFFFAOYSA-N -1 3 340.372 1.873 20 30 EDEDHM N#Cc1ccc2c(c1)N(C(=O)CNc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826385802 594454241 /nfs/dbraw/zinc/45/42/41/594454241.db2.gz BJFPPFFWCRSVNN-UHFFFAOYSA-N -1 3 345.366 1.740 20 30 EDEDHM N#Cc1ccc2c(c1)N(C(=O)CNc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826385802 594454242 /nfs/dbraw/zinc/45/42/42/594454242.db2.gz BJFPPFFWCRSVNN-UHFFFAOYSA-N -1 3 345.366 1.740 20 30 EDEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc(O)cc(O)c1 ZINC000826403334 594462180 /nfs/dbraw/zinc/46/21/80/594462180.db2.gz PEAYFCNPLPOICG-IHWYPQMZSA-N -1 3 348.322 1.822 20 30 EDEDHM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000831087396 594552615 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C=CCO[N-]C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000837043950 595027452 /nfs/dbraw/zinc/02/74/52/595027452.db2.gz HPDHOLTVVYGDNZ-UHFFFAOYSA-N -1 3 328.162 1.997 20 30 EDEDHM Cn1nccc1COCC([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845845874 595079217 /nfs/dbraw/zinc/07/92/17/595079217.db2.gz PPEGMUUWZNSYRA-INIZCTEOSA-N -1 3 337.379 1.946 20 30 EDEDHM Cn1nccc1COCC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845845874 595079222 /nfs/dbraw/zinc/07/92/22/595079222.db2.gz PPEGMUUWZNSYRA-INIZCTEOSA-N -1 3 337.379 1.946 20 30 EDEDHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)c1 ZINC000845965649 595108156 /nfs/dbraw/zinc/10/81/56/595108156.db2.gz NMJVTKYAOFVMDO-UHFFFAOYSA-N -1 3 340.376 1.975 20 30 EDEDHM CCOC(=O)c1cc(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)[n-]c1C ZINC000837877521 595218070 /nfs/dbraw/zinc/21/80/70/595218070.db2.gz VAYZFRLSCHTLBD-NSHDSACASA-N -1 3 335.360 1.417 20 30 EDEDHM C#C[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000867340989 595245137 /nfs/dbraw/zinc/24/51/37/595245137.db2.gz HBVORJBDXCXDNS-QMMMGPOBSA-N -1 3 336.182 1.169 20 30 EDEDHM O=C(Cc1ccc(Br)s1)N[C@@H]1CCCN([O-])C1=O ZINC000848135593 595325219 /nfs/dbraw/zinc/32/52/19/595325219.db2.gz FVWIOADFLXBJKD-MRVPVSSYSA-N -1 3 333.207 1.550 20 30 EDEDHM Cc1ccc(-c2ccc(C(=O)N[C@H]3CCCN([O-])C3=O)cc2)nn1 ZINC000848130769 595323742 /nfs/dbraw/zinc/32/37/42/595323742.db2.gz QNVUHHRLDTZZGX-HNNXBMFYSA-N -1 3 326.356 1.562 20 30 EDEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(Cc2ccccc2)CCOCC1 ZINC000848132533 595324078 /nfs/dbraw/zinc/32/40/78/595324078.db2.gz RXZMPXHFMTUFFO-HNNXBMFYSA-N -1 3 332.400 1.522 20 30 EDEDHM CC(C)(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cn1 ZINC000848132542 595324163 /nfs/dbraw/zinc/32/41/63/595324163.db2.gz SBGLJDIWXPCGJZ-LLVKDONJSA-N -1 3 334.376 1.176 20 30 EDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000848134357 595324577 /nfs/dbraw/zinc/32/45/77/595324577.db2.gz SMEKWWDLKXUQPU-SNVBAGLBSA-N -1 3 334.706 1.965 20 30 EDEDHM COc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1Br ZINC000848137686 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C=C[C@](C)(O)CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000280772623 443744332 /nfs/dbraw/zinc/74/43/32/443744332.db2.gz BXRBHHYSWDLGGT-HNNXBMFYSA-N -1 3 342.392 1.532 20 30 EDEDHM C=CCNC(=O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000291713607 443765018 /nfs/dbraw/zinc/76/50/18/443765018.db2.gz OWANHSYCRLGOHN-UHFFFAOYSA-N -1 3 328.337 1.347 20 30 EDEDHM C=C(C)CS(=O)(=O)[N-][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000276639257 443774369 /nfs/dbraw/zinc/77/43/69/443774369.db2.gz XLTUWMQQWFNHHJ-HNNXBMFYSA-N -1 3 333.413 1.549 20 30 EDEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCOC[C@H]1CCOC1 ZINC000611017792 450408925 /nfs/dbraw/zinc/40/89/25/450408925.db2.gz ZFJGEOJRWHGVFU-NSHDSACASA-N -1 3 328.365 1.029 20 30 EDEDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1cccnc1 ZINC000293202019 443950895 /nfs/dbraw/zinc/95/08/95/443950895.db2.gz ULSUYRVFRPPSBE-MRXNPFEDSA-N -1 3 345.424 1.991 20 30 EDEDHM CCCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)OC ZINC000545471618 320801625 /nfs/dbraw/zinc/80/16/25/320801625.db2.gz MNAXRORDVYRJSY-LBPRGKRZSA-N -1 3 328.365 1.707 20 30 EDEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)C(=O)NCc2ccccc2)c1[O-] ZINC000299167887 443972925 /nfs/dbraw/zinc/97/29/25/443972925.db2.gz PUFMABDHAMUZKM-NPNVKNKFSA-N -1 3 327.384 1.712 20 30 EDEDHM CN(CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000299266781 444001497 /nfs/dbraw/zinc/00/14/97/444001497.db2.gz LFJXCNJTEPDWAS-UHFFFAOYSA-N -1 3 347.362 1.950 20 30 EDEDHM C=CCn1c(=O)c2ccc(C(=O)N3CCNC[C@@H]3C)cc2[n-]c1=S ZINC000285608283 444046462 /nfs/dbraw/zinc/04/64/62/444046462.db2.gz CDQVGJSPQSSALZ-NSHDSACASA-N -1 3 344.440 1.305 20 30 EDEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1[O-] ZINC000285610547 444047393 /nfs/dbraw/zinc/04/73/93/444047393.db2.gz VAGVQHOQQWFCEJ-IXJMWADBSA-N -1 3 346.431 1.687 20 30 EDEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCO[C@H]2c2ccnn2C)c1[O-] ZINC000285678954 444069895 /nfs/dbraw/zinc/06/98/95/444069895.db2.gz YXXDJBDBCJOQPD-GHUIZGIVSA-N -1 3 330.388 1.518 20 30 EDEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(CS(C)(=O)=O)c2)c1[O-] 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338.408 1.619 20 30 EDEDHM O=C(CN1CCN2C(=O)[N-]C(=O)[C@H]2C1)Nc1nc2ccccc2s1 ZINC000328926022 444405712 /nfs/dbraw/zinc/40/57/12/444405712.db2.gz WFPVCNSUPSSEAW-SNVBAGLBSA-N -1 3 345.384 1.961 20 30 EDEDHM O=C(CCNC(=O)C1CCCCC1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000328964350 444426165 /nfs/dbraw/zinc/42/61/65/444426165.db2.gz RQUUKWFNSBHTFA-LBPRGKRZSA-N -1 3 336.392 1.516 20 30 EDEDHM Cc1c([C@H]2OCC[C@@H]2NC(=O)c2cc(F)cc3nn[n-]c32)cnn1C ZINC000328643186 444411246 /nfs/dbraw/zinc/41/12/46/444411246.db2.gz FHIXEFICHATVQH-SWLSCSKDSA-N -1 3 344.350 1.974 20 30 EDEDHM Cc1c([C@H]2OCC[C@@H]2NC(=O)c2cc(F)cc3[n-]nnc32)cnn1C ZINC000328643186 444411251 /nfs/dbraw/zinc/41/12/51/444411251.db2.gz FHIXEFICHATVQH-SWLSCSKDSA-N -1 3 344.350 1.974 20 30 EDEDHM Cc1c([C@H]2OCC[C@@H]2NC(=O)c2cc(F)cc3n[n-]nc32)cnn1C ZINC000328643186 444411255 /nfs/dbraw/zinc/41/12/55/444411255.db2.gz FHIXEFICHATVQH-SWLSCSKDSA-N -1 3 344.350 1.974 20 30 EDEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](CO)CC1CCCC1 ZINC000338028266 444491217 /nfs/dbraw/zinc/49/12/17/444491217.db2.gz IAEMKFSFAHPHKU-CQSZACIVSA-N -1 3 326.393 1.917 20 30 EDEDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)CC2(CC#N)CC2)C(=O)N1c1ccccc1 ZINC000333452792 444672968 /nfs/dbraw/zinc/67/29/68/444672968.db2.gz SDOVJFNNHOLJIE-HIFRSBDPSA-N -1 3 347.440 1.794 20 30 EDEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1nc2ccccc2s1 ZINC000341343398 444787317 /nfs/dbraw/zinc/78/73/17/444787317.db2.gz HAXAEHADCRGYBH-UHFFFAOYSA-N -1 3 336.398 1.753 20 30 EDEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000344227980 444851187 /nfs/dbraw/zinc/85/11/87/444851187.db2.gz ZYQIHOGIMKREGJ-CYBMUJFWSA-N -1 3 334.353 1.734 20 30 EDEDHM CCCC[C@H]([N-]S(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)OC(C)(C)C ZINC000336937158 444863089 /nfs/dbraw/zinc/86/30/89/444863089.db2.gz GRSNCWYFDDCGFJ-STQMWFEESA-N -1 3 347.481 1.813 20 30 EDEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)C ZINC000337100376 444943733 /nfs/dbraw/zinc/94/37/33/444943733.db2.gz VHESJVSNQPBIRY-KBPBESRZSA-N -1 3 347.481 1.669 20 30 EDEDHM N#Cc1ccc(CS(=O)(=O)[N-]CC(=O)c2ccc(C#N)cc2)cc1 ZINC000341891974 445056450 /nfs/dbraw/zinc/05/64/50/445056450.db2.gz ABWXZMIXSIGTOQ-UHFFFAOYSA-N -1 3 339.376 1.732 20 30 EDEDHM C=CCn1c(=O)[n-]nc1SCC(=O)NCc1cccc(C#N)c1 ZINC000348133564 445286052 /nfs/dbraw/zinc/28/60/52/445286052.db2.gz VWPYDNQZVVOYSY-UHFFFAOYSA-N -1 3 329.385 1.450 20 30 EDEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)N1CCCC1 ZINC000354544269 445288432 /nfs/dbraw/zinc/28/84/32/445288432.db2.gz MLKZDIAPZUZPOA-SNVBAGLBSA-N -1 3 341.820 1.501 20 30 EDEDHM CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000359989904 445517345 /nfs/dbraw/zinc/51/73/45/445517345.db2.gz ZVFGSQLOLXMZHG-CABCVRRESA-N -1 3 342.392 1.311 20 30 EDEDHM C=CCCS(=O)(=O)[N-]C1(c2noc(CN(C)C)n2)CCCC1 ZINC000360203182 445626514 /nfs/dbraw/zinc/62/65/14/445626514.db2.gz NZSQVEIJKFFSLO-UHFFFAOYSA-N -1 3 328.438 1.396 20 30 EDEDHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)C(=O)N1CCCC[C@@H]1C ZINC000354104593 445906247 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C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2cc(=O)[n-]c(N)n2)C1 ZINC000435039684 446673671 /nfs/dbraw/zinc/67/36/71/446673671.db2.gz BATYUGGKYYKCPA-OCCSQVGLSA-N -1 3 333.436 1.399 20 30 EDEDHM Cc1nn(C)c(N2CCN(C(=O)c3ccc(C)cc3[O-])CC2)c1C#N ZINC000436885011 446738577 /nfs/dbraw/zinc/73/85/77/446738577.db2.gz MFBMRVIOWKTGHV-UHFFFAOYSA-N -1 3 339.399 1.577 20 30 EDEDHM C[C@@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1cccc(C#N)c1 ZINC000436637427 446734554 /nfs/dbraw/zinc/73/45/54/446734554.db2.gz WGLUWPKKIOKRLA-CYBMUJFWSA-N -1 3 337.379 1.914 20 30 EDEDHM C=CCCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000441405602 446867450 /nfs/dbraw/zinc/86/74/50/446867450.db2.gz CKNPWICDQAOOJV-UHFFFAOYSA-N -1 3 334.800 1.840 20 30 EDEDHM C=CCC[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)C(=O)OCC ZINC000412402451 446950445 /nfs/dbraw/zinc/95/04/45/446950445.db2.gz ZGBUCOPXYBINNE-CQSZACIVSA-N -1 3 335.404 1.746 20 30 EDEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000425176913 447043669 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CCN(CC(=O)C(C#N)C(=O)Nc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000739384415 579198658 /nfs/dbraw/zinc/19/86/58/579198658.db2.gz FYFXGZPNFVEPSW-LLVKDONJSA-N -1 3 347.327 1.105 20 30 EDEDHM CCN(C[C@H](C)C#N)C(=O)CN[C@]1(CNC(=O)[O-])CCCC[C@H]1C ZINC000739404865 579201346 /nfs/dbraw/zinc/20/13/46/579201346.db2.gz SEZMCWVFQYZGGY-CPUCHLNUSA-N -1 3 338.452 1.801 20 30 EDEDHM C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000744727054 579521896 /nfs/dbraw/zinc/52/18/96/579521896.db2.gz XOSPJDAHXYBNIO-JSGCOSHPSA-N -1 3 346.383 1.231 20 30 EDEDHM C=CCOCC(=O)OCC(=O)N=c1cc[n-]n1Cc1cccc(C)c1 ZINC000744967713 579532111 /nfs/dbraw/zinc/53/21/11/579532111.db2.gz CHQWRJDFIOSXMV-UHFFFAOYSA-N -1 3 343.383 1.346 20 30 EDEDHM C[C@@H](CC(=O)OCCCC#N)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498268 579551611 /nfs/dbraw/zinc/55/16/11/579551611.db2.gz ZZTOCXAFXZRARW-NSHDSACASA-N -1 3 335.385 1.351 20 30 EDEDHM N#Cc1ccc(C(=O)COC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000748274981 579678091 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CCOC(=O)CCCCCC[N-]S(=O)(=O)c1cccnc1C#N ZINC000758096866 579975354 /nfs/dbraw/zinc/97/53/54/579975354.db2.gz OSKWMLXDHMSZNP-UHFFFAOYSA-N -1 3 339.417 1.745 20 30 EDEDHM Cc1ncc(CO)c(C=NNc2ccc(-n3ccnc3)nn2)c1[O-] ZINC000761857991 580062651 /nfs/dbraw/zinc/06/26/51/580062651.db2.gz PZEIHMFDGKHLLQ-UHFFFAOYSA-N -1 3 325.332 1.010 20 30 EDEDHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2C#N)n[nH]1 ZINC000762531799 580076821 /nfs/dbraw/zinc/07/68/21/580076821.db2.gz BQTVNXDQOSCJQE-VIFPVBQESA-N -1 3 337.380 1.978 20 30 EDEDHM COc1ccc(C=NN2CC(=O)[N-]C2=O)c(OCc2cccnc2)c1 ZINC000766433017 580166792 /nfs/dbraw/zinc/16/67/92/580166792.db2.gz XAPPTUPELHZVBO-UHFFFAOYSA-N -1 3 340.339 1.555 20 30 EDEDHM O=C(CCNC(=O)C1N=CC=CC1=O)NCc1ccc([O-])c(F)c1 ZINC000769559970 580240080 /nfs/dbraw/zinc/24/00/80/580240080.db2.gz QROBMSOJPIVOMM-NXVVXOECSA-N -1 3 333.319 1.064 20 30 EDEDHM CCOc1ccc(C=NNc2nc3c(cnn3C)c(=O)[nH]2)c([O-])c1 ZINC000769818948 580246092 /nfs/dbraw/zinc/24/60/92/580246092.db2.gz XTWOCXNNYJIEJR-UHFFFAOYSA-N -1 3 328.332 1.619 20 30 EDEDHM Cn1cc(S(=O)(=O)[N-]Cc2ccc(OCC#N)cc2)nc1Cl ZINC000769902015 580248067 /nfs/dbraw/zinc/24/80/67/580248067.db2.gz XEVOIWBJFQDDOL-UHFFFAOYSA-N -1 3 340.792 1.454 20 30 EDEDHM C#Cc1ccc(C(=O)Nc2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)cn1 ZINC000770169452 580254769 /nfs/dbraw/zinc/25/47/69/580254769.db2.gz MCAWCRSFELVYIJ-OAHLLOKOSA-N -1 3 334.335 1.066 20 30 EDEDHM C=CCCCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000770276791 580257138 /nfs/dbraw/zinc/25/71/38/580257138.db2.gz RLPZIYZWMDOJSD-ZDUSSCGKSA-N -1 3 349.456 1.976 20 30 EDEDHM Cc1ccc(-c2noc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)n2)o1 ZINC000771189229 580282092 /nfs/dbraw/zinc/28/20/92/580282092.db2.gz ZYXTVAORXLGISH-UHFFFAOYSA-N -1 3 344.352 1.877 20 30 EDEDHM C=CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C)nc1)c1ccncc1 ZINC000771350042 580284722 /nfs/dbraw/zinc/28/47/22/580284722.db2.gz KSBVEIVTMGYZPQ-AWEZNQCLSA-N -1 3 346.412 1.432 20 30 EDEDHM COc1cccc([O-])c1/C=N/Cc1ccc(S(N)(=O)=O)c(C)c1 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327.275 1.437 20 30 EDEDHM N#Cc1ccc(N2CCC[C@H](n3ccc(C=N[O-])nc3=O)C2=O)cc1 ZINC000778593540 580468250 /nfs/dbraw/zinc/46/82/50/580468250.db2.gz UQLLMAPPMNHBQW-HNNXBMFYSA-N -1 3 337.339 1.291 20 30 EDEDHM C=CCOCC[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000779953051 580504282 /nfs/dbraw/zinc/50/42/82/580504282.db2.gz CFKVZDDZKSYMOL-UHFFFAOYSA-N -1 3 333.793 1.608 20 30 EDEDHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2ccc(C#N)cn2)c1 ZINC000780885928 580536526 /nfs/dbraw/zinc/53/65/26/580536526.db2.gz DQHMVSMCKLMORN-UHFFFAOYSA-N -1 3 349.343 1.357 20 30 EDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C#N)ccc1F ZINC000782102036 580566334 /nfs/dbraw/zinc/56/63/34/580566334.db2.gz VGSKIZSMHMEPBP-UHFFFAOYSA-N -1 3 339.392 1.570 20 30 EDEDHM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000784480986 580621978 /nfs/dbraw/zinc/62/19/78/580621978.db2.gz WNNGWYRPUONWSW-NXEZZACHSA-N -1 3 328.365 1.563 20 30 EDEDHM N#Cc1ccc(C(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[n-]1 ZINC000786090486 580660911 /nfs/dbraw/zinc/66/09/11/580660911.db2.gz GZFRERPCGGHKRM-UHFFFAOYSA-N -1 3 340.295 1.541 20 30 EDEDHM CC[C@]1(c2ccc(OC(=O)CC(C)(C)C#N)cc2)NC(=O)[N-]C1=O ZINC000786449303 580670868 /nfs/dbraw/zinc/67/08/68/580670868.db2.gz UYDKAVLDMSADTN-QGZVFWFLSA-N -1 3 329.356 1.977 20 30 EDEDHM CCOC(CC[N-]S(=O)(=O)c1ccc(C#N)cc1F)OCC ZINC000786897987 580683197 /nfs/dbraw/zinc/68/31/97/580683197.db2.gz GUHDAHLRIMQLSL-UHFFFAOYSA-N -1 3 330.381 1.765 20 30 EDEDHM COC(=O)CCN1CCC(=NNc2nc(=O)c3ccccc3[n-]2)CC1 ZINC000788718697 580728541 /nfs/dbraw/zinc/72/85/41/580728541.db2.gz WBHPTYCICRUTAG-UHFFFAOYSA-N -1 3 343.387 1.762 20 30 EDEDHM C[C@@H](CC(=O)OCC1(F)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000789598243 580750269 /nfs/dbraw/zinc/75/02/69/580750269.db2.gz GJFUDOFDQLDJLG-JTQLQIEISA-N -1 3 340.376 1.549 20 30 EDEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cn(-c3ccccc3)nn2)s1 ZINC000797828292 580981861 /nfs/dbraw/zinc/98/18/61/580981861.db2.gz PRWFIFSPLYBLOU-UHFFFAOYSA-N -1 3 345.409 1.679 20 30 EDEDHM Cc1ccc([O-])c(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 ZINC000798274521 580992775 /nfs/dbraw/zinc/99/27/75/580992775.db2.gz GEELNAWKRKPOET-TZMCWYRMSA-N -1 3 332.404 1.944 20 30 EDEDHM C#C[C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000801050811 581064763 /nfs/dbraw/zinc/06/47/63/581064763.db2.gz KNQJHAXLZIJZAU-SECBINFHSA-N -1 3 347.799 1.078 20 30 EDEDHM C#C[C@H]1CCCCN1C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000890652649 590692885 /nfs/dbraw/zinc/69/28/85/590692885.db2.gz VDXXRHMXGVMTQH-KSSFIOAISA-N -1 3 325.368 1.369 20 30 EDEDHM C=C1CCN(C(=O)NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000892656530 591112660 /nfs/dbraw/zinc/11/26/60/591112660.db2.gz CYCWBAVPAQIPSV-GOSISDBHSA-N -1 3 342.399 1.603 20 30 EDEDHM N#Cc1ccc(N2CCN(C(=O)c3ccccc3[O-])CC2)c(CO)c1 ZINC000891793353 591226620 /nfs/dbraw/zinc/22/66/20/591226620.db2.gz KNPSDHASCXXLGA-UHFFFAOYSA-N -1 3 337.379 1.719 20 30 EDEDHM COc1c(F)cccc1S(=O)(=O)[N-]CC1CCN(CC#N)CC1 ZINC000866960768 591403802 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COc1c(F)cc(S(=O)(=O)[N-][C@](C)(C#N)CSC)cc1F ZINC000903630184 592254682 /nfs/dbraw/zinc/25/46/82/592254682.db2.gz NPXLHALXCPKCOZ-GFCCVEGCSA-N -1 3 336.385 1.897 20 30 EDEDHM COC(=O)C1CC2(C1)CN(Cc1ccc(C#N)cc1F)C[C@@H]2C(=O)[O-] ZINC000903694996 592277347 /nfs/dbraw/zinc/27/73/47/592277347.db2.gz LWQCXGSBMXXUES-TXKKKEFDSA-N -1 3 346.358 1.783 20 30 EDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc[nH]c2=O)no1 ZINC000904754056 592316940 /nfs/dbraw/zinc/31/69/40/592316940.db2.gz SEVWUTDYVBOXPQ-LBPRGKRZSA-N -1 3 337.339 1.695 20 30 EDEDHM Cc1nn(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c(=O)n1C ZINC000904179019 592443208 /nfs/dbraw/zinc/44/32/08/592443208.db2.gz ZCRSONOBNMKRFL-UHFFFAOYSA-N -1 3 345.186 1.615 20 30 EDEDHM Cn1cc([C@@H]2[C@H](C(=O)N([O-])Cc3ccccc3)CC(=O)N2C)cn1 ZINC000904165871 592447973 /nfs/dbraw/zinc/44/79/73/592447973.db2.gz VSIMSRUJWYPATN-GDBMZVCRSA-N -1 3 328.372 1.358 20 30 EDEDHM O=C([C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)N([O-])Cc1ccccc1 ZINC000904164488 592447997 /nfs/dbraw/zinc/44/79/97/592447997.db2.gz XKHZEAZYUXIFIN-IAGOWNOFSA-N -1 3 344.411 1.846 20 30 EDEDHM CCCCCCN([O-])C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 ZINC000904207267 592452510 /nfs/dbraw/zinc/45/25/10/592452510.db2.gz XMXCEMIELIUVKS-UHFFFAOYSA-N -1 3 329.422 1.303 20 30 EDEDHM NC(=O)[C@@H]1CC[C@H](CCC(=O)N([O-])Cc2ccccc2Cl)O1 ZINC000904192864 592455444 /nfs/dbraw/zinc/45/54/44/592455444.db2.gz YOKSERBFYQBLKV-YPMHNXCESA-N -1 3 326.780 1.871 20 30 EDEDHM COC(=O)c1cnn(CC(=O)N([O-])CCCCc2ccccc2)c1 ZINC000904195511 592455922 /nfs/dbraw/zinc/45/59/22/592455922.db2.gz GLGQBRBDHQWDCM-UHFFFAOYSA-N -1 3 331.372 1.910 20 30 EDEDHM C=CCOC[C@@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)C(=O)[O-] ZINC000908741155 592590943 /nfs/dbraw/zinc/59/09/43/592590943.db2.gz XTKGZGYSAGQMRA-CABCVRRESA-N -1 3 335.404 1.244 20 30 EDEDHM C#CCN(C)CCCNC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000909037785 592710865 /nfs/dbraw/zinc/71/08/65/592710865.db2.gz MNZDXLIWWWCMRM-HNNXBMFYSA-N -1 3 331.416 1.626 20 30 EDEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)[N-]Cc1nc(C(C)(C)C)co1 ZINC000907954110 592855404 /nfs/dbraw/zinc/85/54/04/592855404.db2.gz WYBBUSMBHBVEFC-NSHDSACASA-N -1 3 328.438 1.788 20 30 EDEDHM C#CCN(C)CCCNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000911404972 592913503 /nfs/dbraw/zinc/91/35/03/592913503.db2.gz MEHIGPPRRWTDQZ-CYBMUJFWSA-N -1 3 334.441 1.937 20 30 EDEDHM C#CCCCC(=O)Nc1ccc(N2CCN(CC(=O)[O-])CC2)cc1 ZINC000911338896 593008169 /nfs/dbraw/zinc/00/81/69/593008169.db2.gz IWYONCYLGALRTI-UHFFFAOYSA-N -1 3 329.400 1.635 20 30 EDEDHM C=CCN1CCN(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C1=O ZINC000840077297 593118944 /nfs/dbraw/zinc/11/89/44/593118944.db2.gz QKQSLQOIQJSZEX-GFCCVEGCSA-N -1 3 348.369 1.258 20 30 EDEDHM N#CC1(CS(=O)(=O)[N-]C(=O)C2CCN(C3CC3)CC2)CCC1 ZINC000805919861 593166352 /nfs/dbraw/zinc/16/63/52/593166352.db2.gz OMBKBJGFXJDKSU-UHFFFAOYSA-N -1 3 325.434 1.001 20 30 EDEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2F)s1 ZINC000797826532 593196795 /nfs/dbraw/zinc/19/67/95/593196795.db2.gz CMANZASNWHCOFO-GFCCVEGCSA-N -1 3 326.374 1.771 20 30 EDEDHM COC(=O)CCCON=C([O-])Nc1cnn(-c2ncccc2C#N)c1 ZINC000808844595 593291170 /nfs/dbraw/zinc/29/11/70/593291170.db2.gz VALBZOSXSNOCLY-UHFFFAOYSA-N -1 3 344.331 1.145 20 30 EDEDHM COC(=O)CCCO[N-]C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000808844595 593291171 /nfs/dbraw/zinc/29/11/71/593291171.db2.gz VALBZOSXSNOCLY-UHFFFAOYSA-N -1 3 344.331 1.145 20 30 EDEDHM C[C@@H]1CCC(C)(C)N1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000839436598 593300635 /nfs/dbraw/zinc/30/06/35/593300635.db2.gz IPRNPYDKVNHRQX-LLVKDONJSA-N -1 3 335.429 1.515 20 30 EDEDHM C=CCN1CC[C@H](O[N-]C(=O)Cc2ccc(OC)c(OC)c2)C1=O ZINC000809996154 593374295 /nfs/dbraw/zinc/37/42/95/593374295.db2.gz VBXMCYCLYFSANA-AWEZNQCLSA-N -1 3 334.372 1.081 20 30 EDEDHM CC(C)(C)c1noc(C=N[N-]S(=O)(=O)CCc2ccccc2)n1 ZINC000758126325 593393313 /nfs/dbraw/zinc/39/33/13/593393313.db2.gz YTEURYCKZZORLE-UHFFFAOYSA-N -1 3 336.417 1.863 20 30 EDEDHM C[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)CCC#N)ccc1F ZINC000805281147 593430039 /nfs/dbraw/zinc/43/00/39/593430039.db2.gz SOYDUIKBZOSIQL-UHFFFAOYSA-N -1 3 341.408 1.794 20 30 EDEDHM C[N-]S(=O)(=O)c1cc(C(=O)OCCCSCC#N)c(C)o1 ZINC000805487565 593460276 /nfs/dbraw/zinc/46/02/76/593460276.db2.gz SVNKWHUIYDWTRT-UHFFFAOYSA-N -1 3 332.403 1.300 20 30 EDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000816691628 593540663 /nfs/dbraw/zinc/54/06/63/593540663.db2.gz VTZDAKZPYFNHHE-ZDUSSCGKSA-N -1 3 326.356 1.081 20 30 EDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccccc1I ZINC000816690588 593540749 /nfs/dbraw/zinc/54/07/49/593540749.db2.gz WSYGRVQTLCMFIL-VIFPVBQESA-N -1 3 346.124 1.011 20 30 EDEDHM Cc1nc(C(=O)N[C@@H]2CCN([O-])C2=O)nn1-c1ccccc1C(C)C ZINC000816691082 593540954 /nfs/dbraw/zinc/54/09/54/593540954.db2.gz KPGMWGGKEFPFOK-CYBMUJFWSA-N -1 3 343.387 1.419 20 30 EDEDHM CC(=O)Nc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)cc(C(F)(F)F)c1 ZINC000816693212 593541256 /nfs/dbraw/zinc/54/12/56/593541256.db2.gz FUHGSTSKKCAYNZ-LLVKDONJSA-N -1 3 345.277 1.384 20 30 EDEDHM O=C(CCNC(=O)c1ccc2ccccc2c1)N[C@@H]1CCN([O-])C1=O ZINC000816695123 593541956 /nfs/dbraw/zinc/54/19/56/593541956.db2.gz VWMTWSVYIRCUND-OAHLLOKOSA-N -1 3 341.367 1.066 20 30 EDEDHM COc1ccc2nc(C3CC3)cc(C(=O)N[C@H]3CCN([O-])C3=O)c2c1 ZINC000816696518 593542249 /nfs/dbraw/zinc/54/22/49/593542249.db2.gz AALQKHVWVVNCDY-HNNXBMFYSA-N -1 3 341.367 1.841 20 30 EDEDHM O=C(CCc1ccccc1Br)N[C@H]1CCCN([O-])C1=O ZINC000816753857 593547878 /nfs/dbraw/zinc/54/78/78/593547878.db2.gz QMARZHOQNDVYFL-LBPRGKRZSA-N -1 3 341.205 1.878 20 30 EDEDHM CC(C)Cn1ncc2cc(C(=O)N[C@H]3CCCN([O-])C3=O)cnc21 ZINC000816756478 593548496 /nfs/dbraw/zinc/54/84/96/593548496.db2.gz YEFSNRGCPNJSLI-ZDUSSCGKSA-N -1 3 331.376 1.197 20 30 EDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(F)cc(Br)c1 ZINC000816758933 593548989 /nfs/dbraw/zinc/54/89/89/593548989.db2.gz AQZMQNVFWHRGPN-JTQLQIEISA-N -1 3 331.141 1.698 20 30 EDEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000816759013 593549288 /nfs/dbraw/zinc/54/92/88/593549288.db2.gz CFKWXZHDAPFZQY-HOTGVXAUSA-N -1 3 331.416 1.538 20 30 EDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000816759786 593549356 /nfs/dbraw/zinc/54/93/56/593549356.db2.gz UXRYOICMTICATG-LLVKDONJSA-N -1 3 338.795 1.445 20 30 EDEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)[C@H]1CCCO1 ZINC000814391675 593585120 /nfs/dbraw/zinc/58/51/20/593585120.db2.gz OBBMMDUIUDASNX-NXEZZACHSA-N -1 3 341.776 1.335 20 30 EDEDHM COCc1cnc(C=N[N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000814816834 593603928 /nfs/dbraw/zinc/60/39/28/593603928.db2.gz YFSDNVXKJUPAQR-UHFFFAOYSA-N -1 3 325.415 1.743 20 30 EDEDHM C[C@H](Oc1ccccc1C#N)C(=O)OC[C@H]1CCCN1CC(=O)[O-] ZINC000818065692 593663408 /nfs/dbraw/zinc/66/34/08/593663408.db2.gz LNXQGDSDTRDECC-GXTWGEPZSA-N -1 3 332.356 1.418 20 30 EDEDHM O=C(CCC/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@H]1CC12CC2 ZINC000819624934 593761570 /nfs/dbraw/zinc/76/15/70/593761570.db2.gz KKINVRJJMCQHMR-ZDUSSCGKSA-N -1 3 333.413 1.174 20 30 EDEDHM C#CCSCCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819710021 593764520 /nfs/dbraw/zinc/76/45/20/593764520.db2.gz VXUMVDJDYJHHRD-NSHDSACASA-N -1 3 330.417 1.593 20 30 EDEDHM C#CCSCCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819710021 593764521 /nfs/dbraw/zinc/76/45/21/593764521.db2.gz VXUMVDJDYJHHRD-NSHDSACASA-N -1 3 330.417 1.593 20 30 EDEDHM C=C(C)CN(CC)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819722232 593765318 /nfs/dbraw/zinc/76/53/18/593765318.db2.gz DQSHZJFWCOHBMN-UHFFFAOYSA-N -1 3 343.359 1.732 20 30 EDEDHM C=C(C)CN(CC)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819722232 593765319 /nfs/dbraw/zinc/76/53/19/593765319.db2.gz DQSHZJFWCOHBMN-UHFFFAOYSA-N -1 3 343.359 1.732 20 30 EDEDHM C=CCNC(=O)NC(=O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000819751056 593766979 /nfs/dbraw/zinc/76/69/79/593766979.db2.gz NUCZVOWYMSJFNJ-SECBINFHSA-N -1 3 332.389 1.359 20 30 EDEDHM C=CCNC(=O)NC(=O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000819751056 593766980 /nfs/dbraw/zinc/76/69/80/593766980.db2.gz NUCZVOWYMSJFNJ-SECBINFHSA-N -1 3 332.389 1.359 20 30 EDEDHM C[C@@H](C#N)CNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000819845228 593772067 /nfs/dbraw/zinc/77/20/67/593772067.db2.gz RUNPZTZFHIKYFF-NSHDSACASA-N -1 3 341.375 1.251 20 30 EDEDHM C[C@@H](C#N)CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000819845228 593772068 /nfs/dbraw/zinc/77/20/68/593772068.db2.gz RUNPZTZFHIKYFF-NSHDSACASA-N -1 3 341.375 1.251 20 30 EDEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)OC[C@@H]1CCCN1CC(=O)[O-] ZINC000819948400 593778842 /nfs/dbraw/zinc/77/88/42/593778842.db2.gz UAUXHXDUYVNVKB-AWEZNQCLSA-N -1 3 346.383 1.808 20 30 EDEDHM COc1cccc(OC(F)(F)F)c1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820127327 593793222 /nfs/dbraw/zinc/79/32/22/593793222.db2.gz LJSGOQPHIVKZGO-SSDOTTSWSA-N -1 3 334.250 1.314 20 30 EDEDHM COc1ccc(OC(F)(F)F)c(C(=O)N[C@H]2CCN([O-])C2=O)c1 ZINC000820137227 593794464 /nfs/dbraw/zinc/79/44/64/593794464.db2.gz LCVOZWAQBGYKRG-VIFPVBQESA-N -1 3 334.250 1.314 20 30 EDEDHM CC(C)(C)c1ccc([C@H](O)CCC(=O)N[C@H]2CCN([O-])C2=O)cc1 ZINC000820144799 593795001 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C=CCOCCCC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000819759043 593767349 /nfs/dbraw/zinc/76/73/49/593767349.db2.gz MGVLGHKUQZKQQE-UHFFFAOYSA-N -1 3 345.359 1.331 20 30 EDEDHM C[C@H](C(=O)N[C@H]1CCN([O-])C1=O)c1ccc(Br)cc1 ZINC000820148410 593795420 /nfs/dbraw/zinc/79/54/20/593795420.db2.gz FLRFJPRKHBQSPK-KWQFWETISA-N -1 3 327.178 1.659 20 30 EDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(F)c(F)cc1Br ZINC000820149745 593795620 /nfs/dbraw/zinc/79/56/20/593795620.db2.gz ROSXPZASFLQBSA-VIFPVBQESA-N -1 3 335.104 1.447 20 30 EDEDHM CCCc1c(C(=O)N[C@@H]2CCN([O-])C2=O)cnn1-c1ccc(F)cc1 ZINC000820149719 593795656 /nfs/dbraw/zinc/79/56/56/593795656.db2.gz REQOWIPZQVEZBB-CQSZACIVSA-N -1 3 346.362 1.684 20 30 EDEDHM COCCc1ccc(OCCCC(=O)N[C@H]2CCN([O-])C2=O)cc1 ZINC000820156417 593795999 /nfs/dbraw/zinc/79/59/99/593795999.db2.gz IDLLDNZLPMGWCO-HNNXBMFYSA-N -1 3 336.388 1.141 20 30 EDEDHM C=CC[N-]S(=O)(=O)c1ccc(CC(=O)N[C@@H](CC)COC)s1 ZINC000820166817 593796565 /nfs/dbraw/zinc/79/65/65/593796565.db2.gz 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C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C#N)C(C)(C)C ZINC000820542888 593828262 /nfs/dbraw/zinc/82/82/62/593828262.db2.gz RXLRDHKIQPASLB-MFKMUULPSA-N -1 3 328.376 1.688 20 30 EDEDHM C#CCN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000823844993 593871201 /nfs/dbraw/zinc/87/12/01/593871201.db2.gz MJJZLELLDJDNMY-INIZCTEOSA-N -1 3 339.399 1.695 20 30 EDEDHM C#CCN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000823844993 593871203 /nfs/dbraw/zinc/87/12/03/593871203.db2.gz MJJZLELLDJDNMY-INIZCTEOSA-N -1 3 339.399 1.695 20 30 EDEDHM C#CCOCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823856737 593873814 /nfs/dbraw/zinc/87/38/14/593873814.db2.gz XHDFXGRHFYGZSQ-UHFFFAOYSA-N -1 3 337.286 1.447 20 30 EDEDHM C#CCOCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823856737 593873816 /nfs/dbraw/zinc/87/38/16/593873816.db2.gz XHDFXGRHFYGZSQ-UHFFFAOYSA-N -1 3 337.286 1.447 20 30 EDEDHM CN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821613659 593880914 /nfs/dbraw/zinc/88/09/14/593880914.db2.gz XDJLSRPTMBICGY-UHFFFAOYSA-N -1 3 332.367 1.939 20 30 EDEDHM CN(Cc1cccc(C#N)c1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821613659 593880917 /nfs/dbraw/zinc/88/09/17/593880917.db2.gz XDJLSRPTMBICGY-UHFFFAOYSA-N -1 3 332.367 1.939 20 30 EDEDHM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823894429 593881550 /nfs/dbraw/zinc/88/15/50/593881550.db2.gz QDLPHZKMGMQPSI-LLVKDONJSA-N -1 3 328.376 1.666 20 30 EDEDHM C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823894429 593881551 /nfs/dbraw/zinc/88/15/51/593881551.db2.gz QDLPHZKMGMQPSI-LLVKDONJSA-N -1 3 328.376 1.666 20 30 EDEDHM C=CCCC(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823894643 593881789 /nfs/dbraw/zinc/88/17/89/593881789.db2.gz VKGZSGTXBGKHBP-CQSZACIVSA-N -1 3 341.371 1.872 20 30 EDEDHM C=CCCC(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823894643 593881792 /nfs/dbraw/zinc/88/17/92/593881792.db2.gz VKGZSGTXBGKHBP-CQSZACIVSA-N -1 3 341.371 1.872 20 30 EDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCO[C@@H]1C ZINC000823910208 593885594 /nfs/dbraw/zinc/88/55/94/593885594.db2.gz ZAMICQCDPUBVDU-IUODEOHRSA-N -1 3 327.388 1.806 20 30 EDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCO[C@@H]1C ZINC000823910208 593885597 /nfs/dbraw/zinc/88/55/97/593885597.db2.gz ZAMICQCDPUBVDU-IUODEOHRSA-N -1 3 327.388 1.806 20 30 EDEDHM C=CCSCCN[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000823937225 593891024 /nfs/dbraw/zinc/89/10/24/593891024.db2.gz NEYDGCXFYLODRN-CYBMUJFWSA-N -1 3 333.417 1.590 20 30 EDEDHM C=CCSCCN[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000823937225 593891026 /nfs/dbraw/zinc/89/10/26/593891026.db2.gz NEYDGCXFYLODRN-CYBMUJFWSA-N -1 3 333.417 1.590 20 30 EDEDHM C[C@@H](C#N)C(=O)Nc1ccn(-c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000824035263 593914056 /nfs/dbraw/zinc/91/40/56/593914056.db2.gz VGVGMUWWHLLLKE-QMMMGPOBSA-N -1 3 342.750 1.804 20 30 EDEDHM C[C@@H](C#N)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824035263 593914059 /nfs/dbraw/zinc/91/40/59/593914059.db2.gz VGVGMUWWHLLLKE-QMMMGPOBSA-N -1 3 342.750 1.804 20 30 EDEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C#N)C(C)(C)C ZINC000822144481 594000017 /nfs/dbraw/zinc/00/00/17/594000017.db2.gz MMNQTZQGLFFWTC-LBPRGKRZSA-N -1 3 334.405 1.392 20 30 EDEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C#N)C(C)(C)C ZINC000822144481 594000020 /nfs/dbraw/zinc/00/00/20/594000020.db2.gz MMNQTZQGLFFWTC-LBPRGKRZSA-N -1 3 334.405 1.392 20 30 EDEDHM CCOc1cc(C#N)ccc1OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821393858 594036132 /nfs/dbraw/zinc/03/61/32/594036132.db2.gz DIZQPECERCKUSF-UHFFFAOYSA-N -1 3 338.327 1.695 20 30 EDEDHM CCOc1cc(C#N)ccc1OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821393858 594036133 /nfs/dbraw/zinc/03/61/33/594036133.db2.gz DIZQPECERCKUSF-UHFFFAOYSA-N -1 3 338.327 1.695 20 30 EDEDHM C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)NC(=O)[O-] ZINC000824558878 594038382 /nfs/dbraw/zinc/03/83/82/594038382.db2.gz YMIPRBUBYGVPBS-ZDUSSCGKSA-N -1 3 332.404 1.495 20 30 EDEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000825958496 594291718 /nfs/dbraw/zinc/29/17/18/594291718.db2.gz YQGZIFOWOSZKHG-INIZCTEOSA-N -1 3 348.366 1.430 20 30 EDEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000825958496 594291721 /nfs/dbraw/zinc/29/17/21/594291721.db2.gz YQGZIFOWOSZKHG-INIZCTEOSA-N -1 3 348.366 1.430 20 30 EDEDHM CN(Cc1cccc(C#N)c1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825976776 594295561 /nfs/dbraw/zinc/29/55/61/594295561.db2.gz PRHPBANUEXWMLZ-INIZCTEOSA-N -1 3 348.366 1.430 20 30 EDEDHM CN(Cc1cccc(C#N)c1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825976776 594295562 /nfs/dbraw/zinc/29/55/62/594295562.db2.gz PRHPBANUEXWMLZ-INIZCTEOSA-N -1 3 348.366 1.430 20 30 EDEDHM CN(C[C@@H]1CCCN1C[C@H](O)COc1ccc(CC#N)cc1)C(=O)[O-] ZINC000828223996 594369050 /nfs/dbraw/zinc/36/90/50/594369050.db2.gz RZLLGZMOUBHVEM-HOTGVXAUSA-N -1 3 347.415 1.567 20 30 EDEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@](C)(C#N)C(C)(C)C ZINC000826255707 594401238 /nfs/dbraw/zinc/40/12/38/594401238.db2.gz HXJXCACWDOXDKG-OAHLLOKOSA-N -1 3 348.432 1.782 20 30 EDEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@](C)(C#N)C(C)(C)C ZINC000826255707 594401240 /nfs/dbraw/zinc/40/12/40/594401240.db2.gz HXJXCACWDOXDKG-OAHLLOKOSA-N -1 3 348.432 1.782 20 30 EDEDHM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000828396095 594409400 /nfs/dbraw/zinc/40/94/00/594409400.db2.gz WYUAYBNTPJTYRE-JTQLQIEISA-N -1 3 346.792 1.609 20 30 EDEDHM Cc1onc(CC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000826342843 594436437 /nfs/dbraw/zinc/43/64/37/594436437.db2.gz BSBJFHVXRNCPKR-UHFFFAOYSA-N -1 3 337.343 1.236 20 30 EDEDHM Cc1onc(CC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826342843 594436439 /nfs/dbraw/zinc/43/64/39/594436439.db2.gz BSBJFHVXRNCPKR-UHFFFAOYSA-N -1 3 337.343 1.236 20 30 EDEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cnc3ncccn23)n1 ZINC000826350824 594440411 /nfs/dbraw/zinc/44/04/11/594440411.db2.gz MVNBKVZXVUKGQF-UHFFFAOYSA-N -1 3 340.738 1.404 20 30 EDEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cnc3ncccn23)n1 ZINC000826350824 594440413 /nfs/dbraw/zinc/44/04/13/594440413.db2.gz MVNBKVZXVUKGQF-UHFFFAOYSA-N -1 3 340.738 1.404 20 30 EDEDHM N#C[C@H](COC(=O)c1c[nH]c(-c2nnn[n-]2)c1)Cc1cccs1 ZINC000826379971 594451470 /nfs/dbraw/zinc/45/14/70/594451470.db2.gz IQLVQKCNHKAHFI-SECBINFHSA-N -1 3 328.357 1.796 20 30 EDEDHM N#C[C@H](COC(=O)c1c[nH]c(-c2nn[n-]n2)c1)Cc1cccs1 ZINC000826379971 594451472 /nfs/dbraw/zinc/45/14/72/594451472.db2.gz IQLVQKCNHKAHFI-SECBINFHSA-N -1 3 328.357 1.796 20 30 EDEDHM N#CCOc1cccc(CC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000826382020 594452869 /nfs/dbraw/zinc/45/28/69/594452869.db2.gz LCHAOZBNDZTXGX-UHFFFAOYSA-N -1 3 334.339 1.950 20 30 EDEDHM N#CCOc1cccc(CC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000826382020 594452870 /nfs/dbraw/zinc/45/28/70/594452870.db2.gz LCHAOZBNDZTXGX-UHFFFAOYSA-N -1 3 334.339 1.950 20 30 EDEDHM N#Cc1ncn(Cc2cccc(Br)c2)c1-c1nnn[n-]1 ZINC000826388272 594455639 /nfs/dbraw/zinc/45/56/39/594455639.db2.gz PQCKLTORPOQFJR-UHFFFAOYSA-N -1 3 330.149 1.746 20 30 EDEDHM CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000826825712 594583148 /nfs/dbraw/zinc/58/31/48/594583148.db2.gz IRAOFPORCJFAEX-VXGBXAGGSA-N -1 3 341.433 1.487 20 30 EDEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000832590659 594762033 /nfs/dbraw/zinc/76/20/33/594762033.db2.gz BZNPBPAZJZWHQA-NSHDSACASA-N -1 3 331.365 1.218 20 30 EDEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000833073858 594796000 /nfs/dbraw/zinc/79/60/00/594796000.db2.gz IZHNDZPPCDQQSP-NVXWUHKLSA-N -1 3 327.384 1.771 20 30 EDEDHM CN(C)Cc1cccc(C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)c1 ZINC000835313397 594811463 /nfs/dbraw/zinc/81/14/63/594811463.db2.gz ARDWMRLLMHSZSP-UHFFFAOYSA-N -1 3 335.429 1.502 20 30 EDEDHM C[C@@H](CC(=O)N1CC2(CC2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000833322416 594826788 /nfs/dbraw/zinc/82/67/88/594826788.db2.gz ATMZOSIZYXAFHJ-NSHDSACASA-N -1 3 333.413 1.126 20 30 EDEDHM C=CCOc1ccc(C[N-]S(=O)(=O)N=[S@](C)(=O)CC)cc1 ZINC000867256158 594877848 /nfs/dbraw/zinc/87/78/48/594877848.db2.gz HUBAUIUXFRYFFI-HXUWFJFHSA-N -1 3 332.447 1.704 20 30 EDEDHM C[C@@H]1CN(CCC(=O)[O-])CCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000833629793 594892460 /nfs/dbraw/zinc/89/24/60/594892460.db2.gz ZSYUMDQRUAXOEX-CQSZACIVSA-N -1 3 344.415 1.368 20 30 EDEDHM C#CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)OC ZINC000841541558 594919336 /nfs/dbraw/zinc/91/93/36/594919336.db2.gz UTSARLFWZYBAEA-NSHDSACASA-N -1 3 340.357 1.055 20 30 EDEDHM N#Cc1ccc2c(c1)CCC[C@H]2NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000833977816 594979623 /nfs/dbraw/zinc/97/96/23/594979623.db2.gz ZEOVZYXQMABLES-MRXNPFEDSA-N -1 3 342.399 1.347 20 30 EDEDHM N#CC(C(=O)CCn1cnccc1=O)=C([O-])C1(c2ccccc2)CC1 ZINC000845842155 595078530 /nfs/dbraw/zinc/07/85/30/595078530.db2.gz DOKJCVSJEBHBMV-OAHLLOKOSA-N -1 3 335.363 1.643 20 30 EDEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCn1cnccc1=O ZINC000845842155 595078536 /nfs/dbraw/zinc/07/85/36/595078536.db2.gz DOKJCVSJEBHBMV-OAHLLOKOSA-N -1 3 335.363 1.643 20 30 EDEDHM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000845889774 595089489 /nfs/dbraw/zinc/08/94/89/595089489.db2.gz ZPPGPKDULAURPQ-SNVBAGLBSA-N -1 3 328.415 1.630 20 30 EDEDHM C=CCCCCOC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000837542714 595135623 /nfs/dbraw/zinc/13/56/23/595135623.db2.gz SPEUPVOQZMYHHU-UHFFFAOYSA-N -1 3 333.431 1.532 20 30 EDEDHM C=C(C)CO[N-]C(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000846151175 595158224 /nfs/dbraw/zinc/15/82/24/595158224.db2.gz XOTZAWXHHGJANO-UHFFFAOYSA-N -1 3 346.431 1.391 20 30 EDEDHM C=C[C@H](C)ONC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC ZINC000846543218 595271229 /nfs/dbraw/zinc/27/12/29/595271229.db2.gz HXZIKRLLSRBCAY-VIFPVBQESA-N -1 3 344.371 1.630 20 30 EDEDHM O=C(Cc1ccc2c(c1)OC(F)(F)O2)N[C@@H]1CCCN([O-])C1=O ZINC000848130110 595323242 /nfs/dbraw/zinc/32/32/42/595323242.db2.gz FMWAWHVOBXTGMQ-SECBINFHSA-N -1 3 328.271 1.047 20 30 EDEDHM CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CCCN([O-])C2=O)CCC1 ZINC000848135591 595325511 /nfs/dbraw/zinc/32/55/11/595325511.db2.gz FUZQDHOHAKHBRH-NSHDSACASA-N -1 3 341.408 1.320 20 30 EDEDHM Cc1c(C(=O)N[C@@H]2CCCN([O-])C2=O)cnn1-c1cccc(C)c1 ZINC000848138593 595326838 /nfs/dbraw/zinc/32/68/38/595326838.db2.gz SHWNEYINTSRGKK-OAHLLOKOSA-N -1 3 328.372 1.599 20 30 EDEDHM C=C(C)CON=C([O-])Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1 ZINC000844548687 595358121 /nfs/dbraw/zinc/35/81/21/595358121.db2.gz ZUEGDFXJCFQEKV-GFCCVEGCSA-N -1 3 349.387 1.997 20 30 EDEDHM C=C(C)CO[N-]C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1 ZINC000844548687 595358124 /nfs/dbraw/zinc/35/81/24/595358124.db2.gz ZUEGDFXJCFQEKV-GFCCVEGCSA-N -1 3 349.387 1.997 20 30 EDEDHM C=C[C@H](C)ON=C([O-])Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000844639115 595366150 /nfs/dbraw/zinc/36/61/50/595366150.db2.gz MQIQSJVYWIGECL-NSHDSACASA-N -1 3 337.351 1.926 20 30 EDEDHM C=C[C@H](C)O[N-]C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000844639115 595366152 /nfs/dbraw/zinc/36/61/52/595366152.db2.gz MQIQSJVYWIGECL-NSHDSACASA-N -1 3 337.351 1.926 20 30 EDEDHM 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20 30 EDEDHM CC(=O)Nc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819818028 593770980 /nfs/dbraw/zinc/77/09/80/593770980.db2.gz ORPPGJHBTNLAFH-UHFFFAOYSA-N -1 3 335.371 1.949 20 30 EDEDHM CC(=O)Nc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819818028 593770981 /nfs/dbraw/zinc/77/09/81/593770981.db2.gz ORPPGJHBTNLAFH-UHFFFAOYSA-N -1 3 335.371 1.949 20 30 EDEDHM C[C@@](C#N)(NC(=O)CSc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000819845839 593771991 /nfs/dbraw/zinc/77/19/91/593771991.db2.gz XGWZASHVIVCYHZ-HNNXBMFYSA-N -1 3 328.401 1.767 20 30 EDEDHM C[C@@](C#N)(NC(=O)CSc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000819845839 593771992 /nfs/dbraw/zinc/77/19/92/593771992.db2.gz XGWZASHVIVCYHZ-HNNXBMFYSA-N -1 3 328.401 1.767 20 30 EDEDHM Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820126597 593792987 /nfs/dbraw/zinc/79/29/87/593792987.db2.gz FJKIJXBHXYXXIB-HNNXBMFYSA-N -1 3 341.367 1.627 20 30 EDEDHM O=C(Cc1ccc(OCc2ccccc2)cc1)N[C@@H]1CCN([O-])C1=O ZINC000820133076 593793730 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O=C(Cc1cccc(OC(F)(F)F)c1)N[C@H]1CCCN([O-])C1=O ZINC000820482867 593822931 /nfs/dbraw/zinc/82/29/31/593822931.db2.gz SSLIZAZALANFPZ-NSHDSACASA-N -1 3 332.278 1.624 20 30 EDEDHM C#CCOCCC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823850996 593872754 /nfs/dbraw/zinc/87/27/54/593872754.db2.gz XJHAJHKXDAVDMY-CYBMUJFWSA-N -1 3 327.388 1.816 20 30 EDEDHM C#CCOCCC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823850996 593872757 /nfs/dbraw/zinc/87/27/57/593872757.db2.gz XJHAJHKXDAVDMY-CYBMUJFWSA-N -1 3 327.388 1.816 20 30 EDEDHM C#CCOc1cccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823861288 593874188 /nfs/dbraw/zinc/87/41/88/593874188.db2.gz CMXFBQRUZSCVIJ-QGZVFWFLSA-N -1 3 336.351 1.991 20 30 EDEDHM C#CCOc1cccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823861288 593874191 /nfs/dbraw/zinc/87/41/91/593874191.db2.gz CMXFBQRUZSCVIJ-QGZVFWFLSA-N -1 3 336.351 1.991 20 30 EDEDHM C=C(C)[C@H](CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)OCC ZINC000823873723 593876882 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C=CCC[C@@H](NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000909714152 592814602 /nfs/dbraw/zinc/81/46/02/592814602.db2.gz UHLLKRCRLASEBO-CRAIPNDOSA-N -1 3 332.400 1.159 20 30 EDEDHM CCc1ccc([O-])c(C(=O)NCCNC(=O)C2N=CC=CC2=O)c1 ZINC000735116491 592977417 /nfs/dbraw/zinc/97/74/17/592977417.db2.gz NLSJZNJMXNFTAC-ICFOKQHNSA-N -1 3 329.356 1.211 20 30 EDEDHM Cc1cnc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cn1 ZINC000737445813 593074078 /nfs/dbraw/zinc/07/40/78/593074078.db2.gz JYDUTADXGYFPFW-UHFFFAOYSA-N -1 3 325.361 1.106 20 30 EDEDHM Cc1cnc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cn1 ZINC000737445813 593074079 /nfs/dbraw/zinc/07/40/79/593074079.db2.gz JYDUTADXGYFPFW-UHFFFAOYSA-N -1 3 325.361 1.106 20 30 EDEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CC[C@H](C2CCC2)C1 ZINC000839945772 593218231 /nfs/dbraw/zinc/21/82/31/593218231.db2.gz RMRDZTSBWYXDET-ZDUSSCGKSA-N -1 3 347.440 1.374 20 30 EDEDHM C=CCN(CC(=O)OCC)C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000839715043 593372990 /nfs/dbraw/zinc/37/29/90/593372990.db2.gz NBGLSSFXNKLYTJ-UHFFFAOYSA-N -1 3 344.367 1.728 20 30 EDEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1Cl ZINC000758113000 593393382 /nfs/dbraw/zinc/39/33/82/593393382.db2.gz GSDPKYPXIWHZPR-CYBMUJFWSA-N -1 3 337.788 1.619 20 30 EDEDHM C=CCNC(=O)CNC(=O)NCc1cc(Br)ccc1[O-] ZINC000805270692 593429386 /nfs/dbraw/zinc/42/93/86/593429386.db2.gz JIJVKHIUCCHZDY-UHFFFAOYSA-N -1 3 342.193 1.256 20 30 EDEDHM C#CCONC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000812786562 593509172 /nfs/dbraw/zinc/50/91/72/593509172.db2.gz NPFGRLDCHYILFQ-UHFFFAOYSA-N -1 3 342.355 1.079 20 30 EDEDHM CN(c1ccccc1)c1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)cn1 ZINC000816691590 593540932 /nfs/dbraw/zinc/54/09/32/593540932.db2.gz UWYLIMXYFLNSMT-CQSZACIVSA-N -1 3 326.356 1.569 20 30 EDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000816692226 593541031 /nfs/dbraw/zinc/54/10/31/593541031.db2.gz JJFLFGUUSRIYBC-HNNXBMFYSA-N -1 3 336.351 1.745 20 30 EDEDHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCN([O-])C1=O ZINC000816693235 593541268 /nfs/dbraw/zinc/54/12/68/593541268.db2.gz GNXXXUQSJIMQPH-XVKPBYJWSA-N -1 3 333.171 1.867 20 30 EDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000816754714 593548228 /nfs/dbraw/zinc/54/82/28/593548228.db2.gz KIVRROYRFVYFKN-LLVKDONJSA-N -1 3 332.385 1.271 20 30 EDEDHM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816755933 593548378 /nfs/dbraw/zinc/54/83/78/593548378.db2.gz LZPUCMOVMAWMAV-GJZGRUSLSA-N -1 3 347.415 1.010 20 30 EDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1c[nH]nc1-c1c(F)cccc1F ZINC000816756789 593548528 /nfs/dbraw/zinc/54/85/28/593548528.db2.gz FJBJNVRGCCGOAP-LLVKDONJSA-N -1 3 336.298 1.465 20 30 EDEDHM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816757033 593548724 /nfs/dbraw/zinc/54/87/24/593548724.db2.gz KODZWNYHCAIWIC-GZMMTYOYSA-N -1 3 330.743 1.743 20 30 EDEDHM Cc1cc(Br)ccc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816757124 593548745 /nfs/dbraw/zinc/54/87/45/593548745.db2.gz MBOPZRSDLOOVKQ-NSHDSACASA-N -1 3 327.178 1.868 20 30 EDEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@H](c1ccccc1)N1CCSCC1 ZINC000816757114 593548810 /nfs/dbraw/zinc/54/88/10/593548810.db2.gz LWTXSXBGUGFSKD-GJZGRUSLSA-N -1 3 349.456 1.273 20 30 EDEDHM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000816760298 593549340 /nfs/dbraw/zinc/54/93/40/593549340.db2.gz LSAANWKZIQJARK-JQWIXIFHSA-N -1 3 326.780 1.912 20 30 EDEDHM C#CCNC(=O)[C@H](C)SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819701378 593764372 /nfs/dbraw/zinc/76/43/72/593764372.db2.gz FCABLNHKMYGFIW-LBPRGKRZSA-N -1 3 345.428 1.507 20 30 EDEDHM C#CCNC(=O)[C@H](C)SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819701378 593764373 /nfs/dbraw/zinc/76/43/73/593764373.db2.gz FCABLNHKMYGFIW-LBPRGKRZSA-N -1 3 345.428 1.507 20 30 EDEDHM C=C[C@H](C)NC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000819729784 593765931 /nfs/dbraw/zinc/76/59/31/593765931.db2.gz MSUNGFGXVXHQEF-ZDUSSCGKSA-N -1 3 341.419 1.663 20 30 EDEDHM C=C[C@H](C)NC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000819729784 593765932 /nfs/dbraw/zinc/76/59/32/593765932.db2.gz MSUNGFGXVXHQEF-ZDUSSCGKSA-N -1 3 341.419 1.663 20 30 EDEDHM C=CCN1CCC(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000819751437 593766988 /nfs/dbraw/zinc/76/69/88/593766988.db2.gz UQRGHERLCNDWJZ-UHFFFAOYSA-N -1 3 341.419 1.947 20 30 EDEDHM CC(=NNC[C@@H](C)C#N)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000819772250 593768351 /nfs/dbraw/zinc/76/83/51/593768351.db2.gz BIHFBMYHWONHEG-NSHDSACASA-N -1 3 349.402 1.834 20 30 EDEDHM CC(=NNC[C@@H](C)C#N)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000819772250 593768352 /nfs/dbraw/zinc/76/83/52/593768352.db2.gz BIHFBMYHWONHEG-NSHDSACASA-N -1 3 349.402 1.834 20 30 EDEDHM C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000819835041 593771394 /nfs/dbraw/zinc/77/13/94/593771394.db2.gz RQFGLBMOYQRPEJ-QAPCUYQASA-N -1 3 329.400 1.772 20 30 EDEDHM CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820012106 593783102 /nfs/dbraw/zinc/78/31/02/593783102.db2.gz UZLAWIADDZJYJY-GFCCVEGCSA-N -1 3 345.432 1.234 20 30 EDEDHM CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000820012106 593783103 /nfs/dbraw/zinc/78/31/03/593783103.db2.gz UZLAWIADDZJYJY-GFCCVEGCSA-N -1 3 345.432 1.234 20 30 EDEDHM CO[C@@H](C(=O)N[C@H]1CCN([O-])C1=O)c1ccccc1C(F)(F)F ZINC000820119769 593792737 /nfs/dbraw/zinc/79/27/37/593792737.db2.gz FFZBUIBRMBTJOR-WDEREUQCSA-N -1 3 332.278 1.499 20 30 EDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1nc(C(F)(F)F)n2ccccc12 ZINC000820128490 593793226 /nfs/dbraw/zinc/79/32/26/593793226.db2.gz XJCZYPTWEKZENL-ZETCQYMHSA-N -1 3 328.250 1.073 20 30 EDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1nc(Br)sc1Cl ZINC000820131581 593793659 /nfs/dbraw/zinc/79/36/59/593793659.db2.gz JXUJUXAYLFJKSF-VKHMYHEASA-N -1 3 340.586 1.279 20 30 EDEDHM CC(C)OC(=O)O[C@@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000820142119 593794818 /nfs/dbraw/zinc/79/48/18/593794818.db2.gz GNWJAXISWIQAGH-SSDOTTSWSA-N -1 3 349.376 1.715 20 30 EDEDHM CC(C)OC(=O)O[C@@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000820142119 593794819 /nfs/dbraw/zinc/79/48/19/593794819.db2.gz GNWJAXISWIQAGH-SSDOTTSWSA-N -1 3 349.376 1.715 20 30 EDEDHM CCCc1c(C(=O)N[C@H]2CCN([O-])C2=O)cnn1-c1ccccc1C ZINC000820143398 593795007 /nfs/dbraw/zinc/79/50/07/593795007.db2.gz IFISMWRXLVIQOO-AWEZNQCLSA-N -1 3 342.399 1.853 20 30 EDEDHM CC(C)(C)c1ccc([C@@H](O)CCC(=O)N[C@@H]2CCN([O-])C2=O)cc1 ZINC000820144796 593795036 /nfs/dbraw/zinc/79/50/36/593795036.db2.gz YMTGMTHBEGDVMK-CABCVRRESA-N -1 3 334.416 1.904 20 30 EDEDHM COc1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)c(Br)c1 ZINC000820155867 593795817 /nfs/dbraw/zinc/79/58/17/593795817.db2.gz AXTQODSUDNGBSY-SNVBAGLBSA-N -1 3 329.150 1.178 20 30 EDEDHM CC(C)c1ccc(N2CC[C@H](C(=O)N[C@H]3CCN([O-])C3=O)C2=O)cc1 ZINC000820179928 593797583 /nfs/dbraw/zinc/79/75/83/593797583.db2.gz RQWXUSWWOTYKGZ-CABCVRRESA-N -1 3 345.399 1.269 20 30 EDEDHM C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820180320 593797608 /nfs/dbraw/zinc/79/76/08/593797608.db2.gz WWTYVUNLXHDLTE-KCJUWKMLSA-N -1 3 332.278 1.579 20 30 EDEDHM CCn1c2ccccc2nc1SCC(=O)N[C@@H]1CCN([O-])C1=O ZINC000820184826 593797909 /nfs/dbraw/zinc/79/79/09/593797909.db2.gz FRXGNFXSCXBMQP-LLVKDONJSA-N -1 3 334.401 1.255 20 30 EDEDHM C#C[C@H](C)NC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000820413000 593817308 /nfs/dbraw/zinc/81/73/08/593817308.db2.gz SIFLRJOSGLTZOG-NSHDSACASA-N -1 3 341.371 1.469 20 30 EDEDHM C#C[C@H](C)NC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000820413000 593817309 /nfs/dbraw/zinc/81/73/09/593817309.db2.gz SIFLRJOSGLTZOG-NSHDSACASA-N -1 3 341.371 1.469 20 30 EDEDHM C=CC[N-]S(=O)(=O)c1ccc(CC(=O)NC[C@](C)(O)CC)s1 ZINC000820423635 593817864 /nfs/dbraw/zinc/81/78/64/593817864.db2.gz AKQIZFQBANOAMO-CQSZACIVSA-N -1 3 346.474 1.032 20 30 EDEDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCCN([O-])C1=O ZINC000820470546 593821386 /nfs/dbraw/zinc/82/13/86/593821386.db2.gz BJQVNAGFEYJDKY-CYBMUJFWSA-N -1 3 332.316 1.115 20 30 EDEDHM C=CC[N-]S(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000823813444 593866315 /nfs/dbraw/zinc/86/63/15/593866315.db2.gz PTTNDOFICUZNAL-ZSBIGDGJSA-N -1 3 340.470 1.670 20 30 EDEDHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC(CC#N)CC1 ZINC000824044871 593916879 /nfs/dbraw/zinc/91/68/79/593916879.db2.gz ACFULAQVKFMVNH-LBPRGKRZSA-N -1 3 339.403 1.819 20 30 EDEDHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC(CC#N)CC1 ZINC000824044871 593916881 /nfs/dbraw/zinc/91/68/81/593916881.db2.gz ACFULAQVKFMVNH-LBPRGKRZSA-N -1 3 339.403 1.819 20 30 EDEDHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@](C)(C#N)C1 ZINC000824046564 593917878 /nfs/dbraw/zinc/91/78/78/593917878.db2.gz TXVDABJGGPDGLA-SJCJKPOMSA-N -1 3 339.403 1.819 20 30 EDEDHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@](C)(C#N)C1 ZINC000824046564 593917880 /nfs/dbraw/zinc/91/78/80/593917880.db2.gz TXVDABJGGPDGLA-SJCJKPOMSA-N -1 3 339.403 1.819 20 30 EDEDHM CC(C)(C#N)CCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824058756 593920732 /nfs/dbraw/zinc/92/07/32/593920732.db2.gz BHLYFYCOBFVQGJ-UHFFFAOYSA-N -1 3 326.408 1.324 20 30 EDEDHM CC(C)(C#N)CCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824058756 593920733 /nfs/dbraw/zinc/92/07/33/593920733.db2.gz BHLYFYCOBFVQGJ-UHFFFAOYSA-N -1 3 326.408 1.324 20 30 EDEDHM CC(C)(C)Oc1cccc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)n1 ZINC000824124745 593935347 /nfs/dbraw/zinc/93/53/47/593935347.db2.gz YOSGYESFUJXEMJ-UHFFFAOYSA-N -1 3 339.363 1.138 20 30 EDEDHM CC(C)(C)Oc1cccc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)n1 ZINC000824124745 593935350 /nfs/dbraw/zinc/93/53/50/593935350.db2.gz YOSGYESFUJXEMJ-UHFFFAOYSA-N -1 3 339.363 1.138 20 30 EDEDHM Cc1ccc(SCCn2c(N)nc(C#N)c2-c2nnn[n-]2)cc1C ZINC000822271000 594022411 /nfs/dbraw/zinc/02/24/11/594022411.db2.gz HSKDNWGOEGRNRQ-UHFFFAOYSA-N -1 3 340.416 1.926 20 30 EDEDHM Cc1ccc(SCCn2c(N)nc(C#N)c2-c2nn[n-]n2)cc1C ZINC000822271000 594022412 /nfs/dbraw/zinc/02/24/12/594022412.db2.gz HSKDNWGOEGRNRQ-UHFFFAOYSA-N -1 3 340.416 1.926 20 30 EDEDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C#N)cn1C ZINC000821389368 594034773 /nfs/dbraw/zinc/03/47/73/594034773.db2.gz 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C=C(C)CO[N-]C(=O)Nc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000844603543 595363896 /nfs/dbraw/zinc/36/38/96/595363896.db2.gz DTHKWQPUQKFDDG-GFCCVEGCSA-N -1 3 342.421 1.489 20 30 EDEDHM C=C[C@@H](OC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)C(=O)OCC ZINC000851101756 595727949 /nfs/dbraw/zinc/72/79/49/595727949.db2.gz FAKHZZTZXZETTL-SJKOYZFVSA-N -1 3 346.339 1.016 20 30 EDEDHM N#CC1(CC(=O)OCC(=O)[N-]C(=O)c2cccs2)CCOCC1 ZINC000850295694 595799339 /nfs/dbraw/zinc/79/93/39/595799339.db2.gz IKEUXGJEEKFELD-UHFFFAOYSA-N -1 3 336.369 1.258 20 30 EDEDHM C[C@H](CC(=O)OCC(C)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000861224927 595919684 /nfs/dbraw/zinc/91/96/84/595919684.db2.gz YNOPMTUMXSSXRK-SECBINFHSA-N -1 3 346.355 1.702 20 30 EDEDHM C#C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCOCC1 ZINC000851828713 595938716 /nfs/dbraw/zinc/93/87/16/595938716.db2.gz CTKGTDISVAWBLZ-ZDUSSCGKSA-N -1 3 349.368 1.173 20 30 EDEDHM CC(C)C#CC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000854337182 596041238 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ZINC000762052488 593425094 /nfs/dbraw/zinc/42/50/94/593425094.db2.gz KTLJINBFAIAGIC-UHFFFAOYSA-N -1 3 333.307 1.586 20 30 EDEDHM O=C(C#Cc1ccc2c(c1)OCO2)Nc1n[n-]c(-c2ccccn2)n1 ZINC000762052488 593425096 /nfs/dbraw/zinc/42/50/96/593425096.db2.gz KTLJINBFAIAGIC-UHFFFAOYSA-N -1 3 333.307 1.586 20 30 EDEDHM CCNc1nc(=NN=Cc2c([O-])cccc2OC)nc(NCC)[nH]1 ZINC000812489239 593502712 /nfs/dbraw/zinc/50/27/12/593502712.db2.gz OQVAKWAPISKOBX-UHFFFAOYSA-N -1 3 331.380 1.895 20 30 EDEDHM N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)o1 ZINC000816691129 593540952 /nfs/dbraw/zinc/54/09/52/593540952.db2.gz LMOISWBZBQPDNW-ZDUSSCGKSA-N -1 3 341.323 1.450 20 30 EDEDHM CC(C)COc1ncc(C(=O)N[C@H]2CCN([O-])C2=O)cc1Cl ZINC000816692583 593541172 /nfs/dbraw/zinc/54/11/72/593541172.db2.gz RDUJJBMHKDUHET-NSHDSACASA-N -1 3 327.768 1.490 20 30 EDEDHM Cc1nn(-c2ccc(C(=O)N[C@@H]3CCN([O-])C3=O)cc2)c(C)c1Cl ZINC000816693430 593541655 /nfs/dbraw/zinc/54/16/55/593541655.db2.gz KWJXXVYEVHOTSJ-CYBMUJFWSA-N -1 3 348.790 1.862 20 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/nfs/dbraw/zinc/54/95/35/593549535.db2.gz BKYJEXUCXMZASY-KBPBESRZSA-N -1 3 343.445 1.210 20 30 EDEDHM O=C1N=C(NN=C2CCCc3sc(Br)cc32)[N-]C1=O ZINC000814890000 593605989 /nfs/dbraw/zinc/60/59/89/593605989.db2.gz QKPHOOKJJRQLCA-UHFFFAOYSA-N -1 3 341.190 1.153 20 30 EDEDHM CC(=NNC1=NC(=O)C(=O)[N-]1)c1sc(Cc2ccccc2)nc1C ZINC000814890016 593606089 /nfs/dbraw/zinc/60/60/89/593606089.db2.gz QSZJUWMZZSXUOG-UHFFFAOYSA-N -1 3 341.396 1.368 20 30 EDEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnnn1CC ZINC000815909309 593661852 /nfs/dbraw/zinc/66/18/52/593661852.db2.gz XAMNCBDOOMYKKW-LLVKDONJSA-N -1 3 327.344 1.658 20 30 EDEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000816049385 593670912 /nfs/dbraw/zinc/67/09/12/593670912.db2.gz GUQPQRBGVNXTNX-LLVKDONJSA-N -1 3 326.347 1.239 20 30 EDEDHM C#CCN(C)CCCNC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000818606561 593707355 /nfs/dbraw/zinc/70/73/55/593707355.db2.gz WVVGIAVIEPGTMJ-UHFFFAOYSA-N -1 3 344.390 1.710 20 30 EDEDHM C#CCN(CC#CC)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000819698309 593764180 /nfs/dbraw/zinc/76/41/80/593764180.db2.gz WFXFVNOVTXIWRP-UHFFFAOYSA-N -1 3 333.355 1.375 20 30 EDEDHM C#CCN(CC#CC)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000819698309 593764181 /nfs/dbraw/zinc/76/41/81/593764181.db2.gz WFXFVNOVTXIWRP-UHFFFAOYSA-N -1 3 333.355 1.375 20 30 EDEDHM C#CCSCCNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819709790 593764461 /nfs/dbraw/zinc/76/44/61/593764461.db2.gz PISIPDYWSGTKPZ-UHFFFAOYSA-N -1 3 345.428 1.507 20 30 EDEDHM C#CCSCCNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819709790 593764462 /nfs/dbraw/zinc/76/44/62/593764462.db2.gz PISIPDYWSGTKPZ-UHFFFAOYSA-N -1 3 345.428 1.507 20 30 EDEDHM C=CCCCC(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000819733999 593766228 /nfs/dbraw/zinc/76/62/28/593766228.db2.gz GXHRMSONNROYDO-CQSZACIVSA-N -1 3 341.371 1.872 20 30 EDEDHM C=CCCCC(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819733999 593766229 /nfs/dbraw/zinc/76/62/29/593766229.db2.gz GXHRMSONNROYDO-CQSZACIVSA-N -1 3 341.371 1.872 20 30 EDEDHM C=CCC(CC=C)C(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000819734499 593766231 /nfs/dbraw/zinc/76/62/31/593766231.db2.gz PHDWZZSWBRKORN-UHFFFAOYSA-N -1 3 331.405 1.876 20 30 EDEDHM C=CCC(CC=C)C(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000819734499 593766232 /nfs/dbraw/zinc/76/62/32/593766232.db2.gz PHDWZZSWBRKORN-UHFFFAOYSA-N -1 3 331.405 1.876 20 30 EDEDHM C=CCCCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000819734161 593766343 /nfs/dbraw/zinc/76/63/43/593766343.db2.gz JHFJNNWFVODPJI-UHFFFAOYSA-N -1 3 333.348 1.915 20 30 EDEDHM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)[N-]C1=NC[C@H](C)S1 ZINC000819765240 593767560 /nfs/dbraw/zinc/76/75/60/593767560.db2.gz OWKAPSLXOWVDSR-VIFPVBQESA-N -1 3 342.428 1.758 20 30 EDEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC[C@H](C)C#N ZINC000819856930 593772279 /nfs/dbraw/zinc/77/22/79/593772279.db2.gz MVCOJEMNHDBIQI-BXUZGUMPSA-N -1 3 329.360 1.973 20 30 EDEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC[C@H](C)C#N ZINC000819856930 593772280 /nfs/dbraw/zinc/77/22/80/593772280.db2.gz MVCOJEMNHDBIQI-BXUZGUMPSA-N -1 3 329.360 1.973 20 30 EDEDHM Cc1nc(-c2cccs2)c(CC(=O)N[C@H]2CCN([O-])C2=O)s1 ZINC000820130971 593793679 /nfs/dbraw/zinc/79/36/79/593793679.db2.gz DLEMEXXBHULNEN-VIFPVBQESA-N -1 3 337.426 1.829 20 30 EDEDHM Cc1ccc(Br)cc1CC(=O)N[C@H]1CCN([O-])C1=O ZINC000820137071 593794313 /nfs/dbraw/zinc/79/43/13/593794313.db2.gz KCMLPBCHFULQEC-NSHDSACASA-N -1 3 327.178 1.406 20 30 EDEDHM CCCc1c(C(=O)N[C@H]2CCN([O-])C2=O)cnn1-c1ccc(F)cc1 ZINC000820149718 593795563 /nfs/dbraw/zinc/79/55/63/593795563.db2.gz REQOWIPZQVEZBB-AWEZNQCLSA-N -1 3 346.362 1.684 20 30 EDEDHM O=C(CCOc1ccc(Cl)c(Cl)c1)N[C@@H]1CCN([O-])C1=O ZINC000820155936 593795800 /nfs/dbraw/zinc/79/58/00/593795800.db2.gz BSUDIMPSJAQMAK-LLVKDONJSA-N -1 3 333.171 1.869 20 30 EDEDHM O=C(CCOc1cccc(Cl)c1Cl)N[C@@H]1CCN([O-])C1=O ZINC000820156439 593795888 /nfs/dbraw/zinc/79/58/88/593795888.db2.gz IPPLERMXUKRLJZ-SECBINFHSA-N -1 3 333.171 1.869 20 30 EDEDHM Cc1ccc(CC(=O)N[C@@H]2CCN([O-])C2=O)cc1Br ZINC000820175185 593796939 /nfs/dbraw/zinc/79/69/39/593796939.db2.gz UOJKKCOJHZIUIH-LLVKDONJSA-N -1 3 327.178 1.406 20 30 EDEDHM COc1ccc(-c2cncc(C(=O)N[C@H]3CCN([O-])C3=O)c2)cc1 ZINC000820179016 593797373 /nfs/dbraw/zinc/79/73/73/593797373.db2.gz DMGNSJPTRBZMJX-HNNXBMFYSA-N -1 3 327.340 1.477 20 30 EDEDHM Cc1c(C(=O)N[C@H]2CCCN([O-])C2=O)cnn1-c1ccc(F)cc1 ZINC000820477221 593822340 /nfs/dbraw/zinc/82/23/40/593822340.db2.gz WEIIISDFEDGSKC-AWEZNQCLSA-N -1 3 332.335 1.430 20 30 EDEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000820541512 593827874 /nfs/dbraw/zinc/82/78/74/593827874.db2.gz GOUDZZVYSGTRKY-GVXVVHGQSA-N -1 3 326.360 1.442 20 30 EDEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000820541512 593827876 /nfs/dbraw/zinc/82/78/76/593827876.db2.gz GOUDZZVYSGTRKY-GVXVVHGQSA-N -1 3 326.360 1.442 20 30 EDEDHM C=CCCOCCNC(=O)NCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000823899376 593882789 /nfs/dbraw/zinc/88/27/89/593882789.db2.gz UURSOBBKQNMGKX-UHFFFAOYSA-N -1 3 346.391 1.137 20 30 EDEDHM C=CCCOCCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823899376 593882790 /nfs/dbraw/zinc/88/27/90/593882790.db2.gz UURSOBBKQNMGKX-UHFFFAOYSA-N -1 3 346.391 1.137 20 30 EDEDHM C[C@H](C#N)CN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824033932 593913465 /nfs/dbraw/zinc/91/34/65/593913465.db2.gz CUVAOMBTFLRDCT-QMTHXVAHSA-N -1 3 326.360 1.051 20 30 EDEDHM C[C@H](C#N)CN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824033932 593913466 /nfs/dbraw/zinc/91/34/66/593913466.db2.gz CUVAOMBTFLRDCT-QMTHXVAHSA-N -1 3 326.360 1.051 20 30 EDEDHM C[C@H](C#N)CN(CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000824035027 593914036 /nfs/dbraw/zinc/91/40/36/593914036.db2.gz RRIQBPQLISMNDR-GFCCVEGCSA-N -1 3 339.403 1.819 20 30 EDEDHM C[C@H](C#N)CN(CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000824035027 593914039 /nfs/dbraw/zinc/91/40/39/593914039.db2.gz RRIQBPQLISMNDR-GFCCVEGCSA-N -1 3 339.403 1.819 20 30 EDEDHM CC(C)(C#N)CNC(=O)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000824059470 593920853 /nfs/dbraw/zinc/92/08/53/593920853.db2.gz WPXWBVIGQRFDEX-CQSZACIVSA-N -1 3 339.403 1.501 20 30 EDEDHM CC(C)(C#N)CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000824059470 593920854 /nfs/dbraw/zinc/92/08/54/593920854.db2.gz WPXWBVIGQRFDEX-CQSZACIVSA-N -1 3 339.403 1.501 20 30 EDEDHM C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824553643 594038096 /nfs/dbraw/zinc/03/80/96/594038096.db2.gz FAZVMARAUMOKPD-APPDUMDISA-N -1 3 339.403 1.326 20 30 EDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C#N)cc1Cl ZINC000822650189 594079597 /nfs/dbraw/zinc/07/95/97/594079597.db2.gz RLTBXQQSVULEIJ-UHFFFAOYSA-N -1 3 327.735 1.983 20 30 EDEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C#N)cc1Cl ZINC000822650189 594079599 /nfs/dbraw/zinc/07/95/99/594079599.db2.gz RLTBXQQSVULEIJ-UHFFFAOYSA-N -1 3 327.735 1.983 20 30 EDEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1=NO[C@H](C)C1 ZINC000824882583 594089916 /nfs/dbraw/zinc/08/99/16/594089916.db2.gz BYOAVGZAMJUNRH-YGRLFVJLSA-N -1 3 344.375 1.509 20 30 EDEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1=NO[C@H](C)C1 ZINC000824882583 594089918 /nfs/dbraw/zinc/08/99/18/594089918.db2.gz BYOAVGZAMJUNRH-YGRLFVJLSA-N -1 3 344.375 1.509 20 30 EDEDHM C[C@@H]1CC(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)=NO1 ZINC000824885399 594090798 /nfs/dbraw/zinc/09/07/98/594090798.db2.gz SOCOUMXKXOACOF-SECBINFHSA-N -1 3 330.348 1.263 20 30 EDEDHM C[C@@H]1CC(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)=NO1 ZINC000824885399 594090800 /nfs/dbraw/zinc/09/08/00/594090800.db2.gz SOCOUMXKXOACOF-SECBINFHSA-N -1 3 330.348 1.263 20 30 EDEDHM N#C[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CCO1 ZINC000822807102 594103728 /nfs/dbraw/zinc/10/37/28/594103728.db2.gz YNKFAVPQHFGNSI-SNVBAGLBSA-N -1 3 341.762 1.797 20 30 EDEDHM N#C[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CCO1 ZINC000822807102 594103729 /nfs/dbraw/zinc/10/37/29/594103729.db2.gz YNKFAVPQHFGNSI-SNVBAGLBSA-N -1 3 341.762 1.797 20 30 EDEDHM N#Cc1cc(NC(=O)CCC2CCOCC2)ccc1-c1nnn[n-]1 ZINC000822823124 594106724 /nfs/dbraw/zinc/10/67/24/594106724.db2.gz LJXSTGAGSNSJCJ-UHFFFAOYSA-N -1 3 326.360 1.884 20 30 EDEDHM N#Cc1cc(NC(=O)CCC2CCOCC2)ccc1-c1nn[n-]n1 ZINC000822823124 594106726 /nfs/dbraw/zinc/10/67/26/594106726.db2.gz LJXSTGAGSNSJCJ-UHFFFAOYSA-N -1 3 326.360 1.884 20 30 EDEDHM N#Cc1ccsc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822842342 594109705 /nfs/dbraw/zinc/10/97/05/594109705.db2.gz CZSUGJHRLCUXOP-UHFFFAOYSA-N -1 3 328.332 1.869 20 30 EDEDHM N#Cc1ccsc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822842342 594109706 /nfs/dbraw/zinc/10/97/06/594109706.db2.gz CZSUGJHRLCUXOP-UHFFFAOYSA-N -1 3 328.332 1.869 20 30 EDEDHM CC[C@H](C#N)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825039346 594119970 /nfs/dbraw/zinc/11/99/70/594119970.db2.gz PTCIFPPDUCMFMR-LLVKDONJSA-N -1 3 341.375 1.394 20 30 EDEDHM CC[C@H](C#N)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825039346 594119971 /nfs/dbraw/zinc/11/99/71/594119971.db2.gz PTCIFPPDUCMFMR-LLVKDONJSA-N -1 3 341.375 1.394 20 30 EDEDHM C=C(C)CN1CCC(NC(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000823480893 594208147 /nfs/dbraw/zinc/20/81/47/594208147.db2.gz RGHGZLHANKSGRZ-OCCSQVGLSA-N -1 3 339.436 1.647 20 30 EDEDHM CCn1c(Cn2cnc(C#N)c2-c2nnn[n-]2)nc2cc(F)ccc21 ZINC000825788383 594246267 /nfs/dbraw/zinc/24/62/67/594246267.db2.gz PBMLJLQACCIXCG-UHFFFAOYSA-N -1 3 337.322 1.492 20 30 EDEDHM C[C@@H](NC(=S)NN=C1CCN(CCCC(=O)[O-])CC1)C1CC1 ZINC000827709729 594262764 /nfs/dbraw/zinc/26/27/64/594262764.db2.gz FBKBCBWDHKWUQS-LLVKDONJSA-N -1 3 326.466 1.566 20 30 EDEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccnc(C#N)c1 ZINC000826158938 594354013 /nfs/dbraw/zinc/35/40/13/594354013.db2.gz JRFSBHHWAASXKT-UHFFFAOYSA-N -1 3 349.398 1.782 20 30 EDEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccnc(C#N)c1 ZINC000826158938 594354015 /nfs/dbraw/zinc/35/40/15/594354015.db2.gz JRFSBHHWAASXKT-UHFFFAOYSA-N -1 3 349.398 1.782 20 30 EDEDHM Cc1cccc(S(=O)(=O)Oc2ccccc2C#N)c1-c1nnn[n-]1 ZINC000826304184 594416199 /nfs/dbraw/zinc/41/61/99/594416199.db2.gz AVMLWGZYEKPSBG-UHFFFAOYSA-N -1 3 341.352 1.815 20 30 EDEDHM Cc1nn(C)cc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000826334560 594430969 /nfs/dbraw/zinc/43/09/69/594430969.db2.gz ZUSQPEJOXWXRRG-SREVYHEPSA-N -1 3 337.387 1.861 20 30 EDEDHM Cc1nn(C)cc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000826334560 594430970 /nfs/dbraw/zinc/43/09/70/594430970.db2.gz ZUSQPEJOXWXRRG-SREVYHEPSA-N -1 3 337.387 1.861 20 30 EDEDHM Cn1ncc2c1CCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826366402 594448036 /nfs/dbraw/zinc/44/80/36/594448036.db2.gz GNKQADDVUIXYIX-UHFFFAOYSA-N -1 3 343.782 1.801 20 30 EDEDHM Cn1ncc2c1CCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826366402 594448037 /nfs/dbraw/zinc/44/80/37/594448037.db2.gz GNKQADDVUIXYIX-UHFFFAOYSA-N -1 3 343.782 1.801 20 30 EDEDHM N#C[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000826380059 594451580 /nfs/dbraw/zinc/45/15/80/594451580.db2.gz LMWRAKOXQZKELJ-LSDHHAIUSA-N -1 3 340.387 1.489 20 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COc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1-c1ccccn1 ZINC000816755668 593548547 /nfs/dbraw/zinc/54/85/47/593548547.db2.gz GLSICXAIJWMJGW-HNNXBMFYSA-N -1 3 341.367 1.867 20 30 EDEDHM Cc1c(C(=O)N[C@@H]2CCCN([O-])C2=O)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000816758771 593549007 /nfs/dbraw/zinc/54/90/07/593549007.db2.gz XEQVGSBGEATSIK-SNVBAGLBSA-N -1 3 333.388 1.588 20 30 EDEDHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1cc(F)c(N)c(F)c1 ZINC000814848067 593604947 /nfs/dbraw/zinc/60/49/47/593604947.db2.gz NCTJOBDDIAVKQX-UHFFFAOYSA-N -1 3 333.302 1.765 20 30 EDEDHM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1 ZINC000815915456 593661983 /nfs/dbraw/zinc/66/19/83/593661983.db2.gz PEJKOGVTHRQIQF-HNNXBMFYSA-N -1 3 333.351 1.980 20 30 EDEDHM C#CCN(C1CCCC1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000819697341 593763870 /nfs/dbraw/zinc/76/38/70/593763870.db2.gz BADVEVSYWRRLLQ-UHFFFAOYSA-N -1 3 345.428 1.742 20 30 EDEDHM C#CCN(C1CCCC1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000819697341 593763871 /nfs/dbraw/zinc/76/38/71/593763871.db2.gz BADVEVSYWRRLLQ-UHFFFAOYSA-N -1 3 345.428 1.742 20 30 EDEDHM C=CCN(CC=C)C(=O)NCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000819740402 593766551 /nfs/dbraw/zinc/76/65/51/593766551.db2.gz ZDSZZJVHJQNHKC-UHFFFAOYSA-N -1 3 328.376 1.629 20 30 EDEDHM C=CCN(CC=C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819740402 593766552 /nfs/dbraw/zinc/76/65/52/593766552.db2.gz ZDSZZJVHJQNHKC-UHFFFAOYSA-N -1 3 328.376 1.629 20 30 EDEDHM C=CCn1nnnc1SCc1cc(-c2nnn[n-]2)ccc1OC ZINC000819766095 593767799 /nfs/dbraw/zinc/76/77/99/593767799.db2.gz VDNYJBJPUKLSDR-UHFFFAOYSA-N -1 3 330.377 1.340 20 30 EDEDHM C=CCn1nnnc1SCc1cc(-c2nn[n-]n2)ccc1OC ZINC000819766095 593767800 /nfs/dbraw/zinc/76/78/00/593767800.db2.gz VDNYJBJPUKLSDR-UHFFFAOYSA-N -1 3 330.377 1.340 20 30 EDEDHM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N[C@H]1CCN([O-])C1=O)O2 ZINC000820119931 593792801 /nfs/dbraw/zinc/79/28/01/593792801.db2.gz IDPOYMSOZWGHJM-SCLBCKFNSA-N -1 3 348.399 1.507 20 30 EDEDHM Cc1cccc(CC(=O)N[C@@H]2CCN([O-])C2=O)c1Br ZINC000820128080 593793249 /nfs/dbraw/zinc/79/32/49/593793249.db2.gz SSZNXWJRWXXYSG-SNVBAGLBSA-N -1 3 327.178 1.406 20 30 EDEDHM O=C(N[C@H]1CCN([O-])C1=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000820138035 593794462 /nfs/dbraw/zinc/79/44/62/593794462.db2.gz VXVLNTRFLFSGNA-TUAOUCFPSA-N -1 3 339.189 1.659 20 30 EDEDHM Cc1cc(C)c(Br)c(C(=O)N[C@@H]2CCN([O-])C2=O)c1 ZINC000820143461 593794969 /nfs/dbraw/zinc/79/49/69/593794969.db2.gz JKLASNCMIDYRTE-SNVBAGLBSA-N -1 3 327.178 1.786 20 30 EDEDHM Cc1cc(C)n(-c2ccc(CC(=O)N[C@H]3CCN([O-])C3=O)cc2)n1 ZINC000820155796 593795746 /nfs/dbraw/zinc/79/57/46/593795746.db2.gz ABYUCDREUHXOTN-HNNXBMFYSA-N -1 3 328.372 1.138 20 30 EDEDHM CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2CCN([O-])C2=O)n1 ZINC000820175443 593797089 /nfs/dbraw/zinc/79/70/89/593797089.db2.gz YFASZYKOHOIWBS-LBPRGKRZSA-N -1 3 344.371 1.754 20 30 EDEDHM Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820178986 593797329 /nfs/dbraw/zinc/79/73/29/593797329.db2.gz CTRXPJPRAPDTKY-LLVKDONJSA-N -1 3 334.763 1.554 20 30 EDEDHM O=C(CCNC(=O)C1N=CC=CC1=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820213994 593799576 /nfs/dbraw/zinc/79/95/76/593799576.db2.gz UJZRPXGGTQCCFX-JQIJEIRASA-N -1 3 341.327 1.124 20 30 EDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CCO)C(F)(F)F ZINC000820309215 593808643 /nfs/dbraw/zinc/80/86/43/593808643.db2.gz BGKPDXQTZUNDRE-GFCCVEGCSA-N -1 3 345.321 1.638 20 30 EDEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000820470835 593821310 /nfs/dbraw/zinc/82/13/10/593821310.db2.gz GZDBTCLQWCUBSA-WDEREUQCSA-N -1 3 333.171 1.523 20 30 EDEDHM O=C(CCc1cccc(Br)c1)N[C@H]1CCCN([O-])C1=O ZINC000820476353 593822080 /nfs/dbraw/zinc/82/20/80/593822080.db2.gz KPXQLIINYJYJNS-LBPRGKRZSA-N -1 3 341.205 1.878 20 30 EDEDHM CCCc1c(C(=O)N[C@H]2CCCN([O-])C2=O)cnn1-c1ccccc1 ZINC000820477238 593822279 /nfs/dbraw/zinc/82/22/79/593822279.db2.gz WKARBFKOBJJVPR-HNNXBMFYSA-N -1 3 342.399 1.935 20 30 EDEDHM O=C(CSc1ccc(C(F)(F)F)cn1)N[C@H]1CCCN([O-])C1=O ZINC000820483038 593822945 /nfs/dbraw/zinc/82/29/45/593822945.db2.gz XBQOQNASZVJHEM-VIFPVBQESA-N -1 3 349.334 1.689 20 30 EDEDHM C=C(C)CN(C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823878364 593878372 /nfs/dbraw/zinc/87/83/72/593878372.db2.gz WRRMSTCNWLIFGH-HNNXBMFYSA-N -1 3 326.404 1.870 20 30 EDEDHM C=C(C)CN(C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823878364 593878373 /nfs/dbraw/zinc/87/83/73/593878373.db2.gz WRRMSTCNWLIFGH-HNNXBMFYSA-N -1 3 326.404 1.870 20 30 EDEDHM C=C1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823883234 593879267 /nfs/dbraw/zinc/87/92/67/593879267.db2.gz LRZWAJCXUBJUOC-UHFFFAOYSA-N -1 3 333.417 1.292 20 30 EDEDHM C=C1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823883234 593879269 /nfs/dbraw/zinc/87/92/69/593879269.db2.gz LRZWAJCXUBJUOC-UHFFFAOYSA-N -1 3 333.417 1.292 20 30 EDEDHM C=CC[C@H](C)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000823888601 593880603 /nfs/dbraw/zinc/88/06/03/593880603.db2.gz RKAXJMZWAMZRQL-VIFPVBQESA-N -1 3 325.369 1.390 20 30 EDEDHM C=CC[C@H](C)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000823888601 593880604 /nfs/dbraw/zinc/88/06/04/593880604.db2.gz RKAXJMZWAMZRQL-VIFPVBQESA-N -1 3 325.369 1.390 20 30 EDEDHM C=CCSCCN[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000823937138 593890659 /nfs/dbraw/zinc/89/06/59/593890659.db2.gz JSHOXNVFPSDWAV-CYBMUJFWSA-N -1 3 333.417 1.590 20 30 EDEDHM C=CCSCCN[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000823937138 593890660 /nfs/dbraw/zinc/89/06/60/593890660.db2.gz JSHOXNVFPSDWAV-CYBMUJFWSA-N -1 3 333.417 1.590 20 30 EDEDHM CC(=NNS(=O)(=O)C(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953935 593893967 /nfs/dbraw/zinc/89/39/67/593893967.db2.gz WFPRAIMWOUSQDI-UHFFFAOYSA-N -1 3 326.357 1.058 20 30 EDEDHM CC(=NNS(=O)(=O)C(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953935 593893970 /nfs/dbraw/zinc/89/39/70/593893970.db2.gz WFPRAIMWOUSQDI-UHFFFAOYSA-N -1 3 326.357 1.058 20 30 EDEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1csc(N)n1 ZINC000823958269 593894763 /nfs/dbraw/zinc/89/47/63/593894763.db2.gz HDOYSQOAYVOJGT-UHFFFAOYSA-N -1 3 335.784 1.790 20 30 EDEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1csc(N)n1 ZINC000823958269 593894766 /nfs/dbraw/zinc/89/47/66/593894766.db2.gz HDOYSQOAYVOJGT-UHFFFAOYSA-N -1 3 335.784 1.790 20 30 EDEDHM C[C@H](C#N)CN(C(=O)COc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824035561 593914158 /nfs/dbraw/zinc/91/41/58/593914158.db2.gz ZZJPPLUXDLSHFQ-LLVKDONJSA-N -1 3 326.360 1.396 20 30 EDEDHM C[C@H](C#N)CN(C(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824035561 593914160 /nfs/dbraw/zinc/91/41/60/593914160.db2.gz ZZJPPLUXDLSHFQ-LLVKDONJSA-N -1 3 326.360 1.396 20 30 EDEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000824045153 593916795 /nfs/dbraw/zinc/91/67/95/593916795.db2.gz HHAYPKVMPPMHDD-SNVBAGLBSA-N -1 3 326.360 1.740 20 30 EDEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000824045153 593916796 /nfs/dbraw/zinc/91/67/96/593916796.db2.gz HHAYPKVMPPMHDD-SNVBAGLBSA-N -1 3 326.360 1.740 20 30 EDEDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)C1CCOCC1 ZINC000824045664 593917207 /nfs/dbraw/zinc/91/72/07/593917207.db2.gz OKJDEMNQTYPDLK-JTQLQIEISA-N -1 3 326.360 1.740 20 30 EDEDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)C1CCOCC1 ZINC000824045664 593917210 /nfs/dbraw/zinc/91/72/10/593917210.db2.gz OKJDEMNQTYPDLK-JTQLQIEISA-N -1 3 326.360 1.740 20 30 EDEDHM CCN(C[C@@H](C)C#N)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000821170776 593982191 /nfs/dbraw/zinc/98/21/91/593982191.db2.gz WJEIHUOCSCMVES-NSHDSACASA-N -1 3 330.417 1.967 20 30 EDEDHM CCN(C[C@@H](C)C#N)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000821170776 593982192 /nfs/dbraw/zinc/98/21/92/593982192.db2.gz WJEIHUOCSCMVES-NSHDSACASA-N -1 3 330.417 1.967 20 30 EDEDHM C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1)NC(=O)[O-] ZINC000824558877 594038308 /nfs/dbraw/zinc/03/83/08/594038308.db2.gz YMIPRBUBYGVPBS-CYBMUJFWSA-N -1 3 332.404 1.495 20 30 EDEDHM C[C@]1(C#N)CCCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824779413 594073336 /nfs/dbraw/zinc/07/33/36/594073336.db2.gz 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C=C1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC000735402405 578882226 /nfs/dbraw/zinc/88/22/26/578882226.db2.gz UVZHXHUPIZDJBO-UHFFFAOYSA-N -1 3 329.360 1.433 20 30 EDEDHM C=CCCCN(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735408535 578882706 /nfs/dbraw/zinc/88/27/06/578882706.db2.gz NHLQRFSYRGIUBB-UHFFFAOYSA-N -1 3 348.794 1.883 20 30 EDEDHM C=CCCCN(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735408535 578882707 /nfs/dbraw/zinc/88/27/07/578882707.db2.gz NHLQRFSYRGIUBB-UHFFFAOYSA-N -1 3 348.794 1.883 20 30 EDEDHM C=CCN(Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000735425856 578883476 /nfs/dbraw/zinc/88/34/76/578883476.db2.gz IUZKSZPJKHRKCF-CYBMUJFWSA-N -1 3 333.417 1.042 20 30 EDEDHM C=CCN(Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000735425856 578883477 /nfs/dbraw/zinc/88/34/77/578883477.db2.gz IUZKSZPJKHRKCF-CYBMUJFWSA-N -1 3 333.417 1.042 20 30 EDEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736193507 578961300 /nfs/dbraw/zinc/96/13/00/578961300.db2.gz 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CC1CC(C#N)(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820650644 593852945 /nfs/dbraw/zinc/85/29/45/593852945.db2.gz WWFLIWYRRPMEQV-UHFFFAOYSA-N -1 3 327.344 1.729 20 30 EDEDHM C#C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823838997 593869902 /nfs/dbraw/zinc/86/99/02/593869902.db2.gz XZDSHGDPNSIINX-HOTGVXAUSA-N -1 3 337.383 1.791 20 30 EDEDHM C#C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823838997 593869905 /nfs/dbraw/zinc/86/99/05/593869905.db2.gz XZDSHGDPNSIINX-HOTGVXAUSA-N -1 3 337.383 1.791 20 30 EDEDHM C#Cc1cccc(N(CC)C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823861334 593874271 /nfs/dbraw/zinc/87/42/71/593874271.db2.gz DXSDAUQFHGSEKR-KRWDZBQOSA-N -1 3 347.378 1.935 20 30 EDEDHM C#Cc1cccc(N(CC)C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823861334 593874273 /nfs/dbraw/zinc/87/42/73/593874273.db2.gz DXSDAUQFHGSEKR-KRWDZBQOSA-N -1 3 347.378 1.935 20 30 EDEDHM C=CC[C@H](CO)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823887966 593880335 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C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](O)CCC ZINC000823909629 593885794 /nfs/dbraw/zinc/88/57/94/593885794.db2.gz LHUIEEVWRDWEKD-OAHLLOKOSA-N -1 3 329.404 1.932 20 30 EDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](O)CCC ZINC000823909629 593885797 /nfs/dbraw/zinc/88/57/97/593885797.db2.gz LHUIEEVWRDWEKD-OAHLLOKOSA-N -1 3 329.404 1.932 20 30 EDEDHM CC#CCNC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000823937153 593890595 /nfs/dbraw/zinc/89/05/95/593890595.db2.gz KKHHPJHBHZPRLJ-UHFFFAOYSA-N -1 3 329.360 1.174 20 30 EDEDHM CC#CCNC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000823937153 593890596 /nfs/dbraw/zinc/89/05/96/593890596.db2.gz KKHHPJHBHZPRLJ-UHFFFAOYSA-N -1 3 329.360 1.174 20 30 EDEDHM C[C@@H](C#N)CN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000824035007 593914199 /nfs/dbraw/zinc/91/41/99/593914199.db2.gz RLMFWHGDARPDPV-NWDGAFQWSA-N -1 3 340.387 1.785 20 30 EDEDHM C[C@@H](C#N)CN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000824035007 593914201 /nfs/dbraw/zinc/91/42/01/593914201.db2.gz 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594215619 /nfs/dbraw/zinc/21/56/19/594215619.db2.gz AFRRAXAJMXLZSZ-UHFFFAOYSA-N -1 3 345.388 1.517 20 30 EDEDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000826044245 594315418 /nfs/dbraw/zinc/31/54/18/594315418.db2.gz CKJFTCPHOSLMGY-IWEFOYFVSA-N -1 3 329.400 1.846 20 30 EDEDHM COC(=O)[C@H](C)n1cccc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826103639 594331995 /nfs/dbraw/zinc/33/19/95/594331995.db2.gz JHTWBMWKEUMUEU-NSHDSACASA-N -1 3 339.359 1.848 20 30 EDEDHM COC(=O)[C@H](C)n1cccc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826103639 594331997 /nfs/dbraw/zinc/33/19/97/594331997.db2.gz JHTWBMWKEUMUEU-NSHDSACASA-N -1 3 339.359 1.848 20 30 EDEDHM COc1ccc(-c2nc(Cn3cnc(C#N)c3-c3nnn[n-]3)co2)cc1 ZINC000826181737 594365062 /nfs/dbraw/zinc/36/50/62/594365062.db2.gz MDZFAYIDSXBIMV-UHFFFAOYSA-N -1 3 348.326 1.647 20 30 EDEDHM CN(C[C@H]1CCCN1C[C@@H](O)COc1ccc(CC#N)cc1)C(=O)[O-] ZINC000828223997 594369441 /nfs/dbraw/zinc/36/94/41/594369441.db2.gz RZLLGZMOUBHVEM-HZPDHXFCSA-N -1 3 347.415 1.567 20 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/nfs/dbraw/zinc/42/75/60/594427560.db2.gz GEUBDEAVKLBEMV-UHFFFAOYSA-N -1 3 345.432 1.699 20 30 EDEDHM N#CCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826381664 594451983 /nfs/dbraw/zinc/45/19/83/594451983.db2.gz UHAXXUVXRDUVRC-UHFFFAOYSA-N -1 3 326.769 1.102 20 30 EDEDHM N#CCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826381664 594451984 /nfs/dbraw/zinc/45/19/84/594451984.db2.gz UHAXXUVXRDUVRC-UHFFFAOYSA-N -1 3 326.769 1.102 20 30 EDEDHM N#Cc1cc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000826384032 594453284 /nfs/dbraw/zinc/45/32/84/594453284.db2.gz CXHQLKNHPZVDGE-CQSZACIVSA-N -1 3 338.302 1.550 20 30 EDEDHM N#Cc1cc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000826384032 594453285 /nfs/dbraw/zinc/45/32/85/594453285.db2.gz CXHQLKNHPZVDGE-CQSZACIVSA-N -1 3 338.302 1.550 20 30 EDEDHM N#Cc1ccc(CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826384769 594454229 /nfs/dbraw/zinc/45/42/29/594454229.db2.gz JAFKBRYJCVABND-UHFFFAOYSA-N -1 3 330.351 1.870 20 30 EDEDHM 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ZINC000833071891 594795809 /nfs/dbraw/zinc/79/58/09/594795809.db2.gz MPNYGMZCPDSLQO-ROUUACIJSA-N -1 3 343.427 1.871 20 30 EDEDHM C#CCCN1CCC([N-]S(=O)(=O)c2cnc(CC)s2)CC1 ZINC000840952151 594831891 /nfs/dbraw/zinc/83/18/91/594831891.db2.gz SOIWWNHZRCNWBY-UHFFFAOYSA-N -1 3 327.475 1.472 20 30 EDEDHM C#CC[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)OC ZINC000841540710 594919143 /nfs/dbraw/zinc/91/91/43/594919143.db2.gz OAYJVLIESIADCN-GFCCVEGCSA-N -1 3 339.344 1.724 20 30 EDEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-][C@H]1CCN(CC(F)F)C1 ZINC000841572311 594925371 /nfs/dbraw/zinc/92/53/71/594925371.db2.gz NAIMJLROEMXPNH-VIFPVBQESA-N -1 3 333.335 1.315 20 30 EDEDHM C=CCON=C([O-])Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C ZINC000836421845 594961643 /nfs/dbraw/zinc/96/16/43/594961643.db2.gz SNDYEMGMUKUAJF-UHFFFAOYSA-N -1 3 339.417 1.983 20 30 EDEDHM C=CCO[N-]C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C ZINC000836421845 594961646 /nfs/dbraw/zinc/96/16/46/594961646.db2.gz SNDYEMGMUKUAJF-UHFFFAOYSA-N -1 3 339.417 1.983 20 30 EDEDHM C=CCONC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000836488463 594968698 /nfs/dbraw/zinc/96/86/98/594968698.db2.gz LGKOLHZRRIVHRG-UHFFFAOYSA-N -1 3 329.353 1.506 20 30 EDEDHM C=C(C)CCNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000836824353 595001746 /nfs/dbraw/zinc/00/17/46/595001746.db2.gz BFGVFDFTIUQVLM-LLVKDONJSA-N -1 3 345.852 1.874 20 30 EDEDHM C=C(C)CONC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000845609774 595031552 /nfs/dbraw/zinc/03/15/52/595031552.db2.gz WOXNIBYGTNEKMH-UHFFFAOYSA-N -1 3 349.359 1.050 20 30 EDEDHM C[C@@]1(c2ccc(C(=O)OCC3(C#N)CCC3)cc2)NC(=O)[N-]C1=O ZINC000837560409 595139566 /nfs/dbraw/zinc/13/95/66/595139566.db2.gz ZMAGQAPQVIZZCN-INIZCTEOSA-N -1 3 327.340 1.592 20 30 EDEDHM CN1CCC(O[N-]C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 ZINC000846648318 595292798 /nfs/dbraw/zinc/29/27/98/595292798.db2.gz WEVNOHHVDIPJBF-INIZCTEOSA-N -1 3 325.409 1.390 20 30 EDEDHM CC(=O)Nc1ccccc1C(F)(F)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848132834 595324217 /nfs/dbraw/zinc/32/42/17/595324217.db2.gz 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337.387 1.254 20 30 EDEDHM N#Cc1ccc(N2CCC(Nc3cnccc3-c3nnn[n-]3)CC2)nc1 ZINC000826385407 594454029 /nfs/dbraw/zinc/45/40/29/594454029.db2.gz KVPNSHFNMQLFNZ-UHFFFAOYSA-N -1 3 347.386 1.609 20 30 EDEDHM N#Cc1ccc(N2CCC(Nc3cnccc3-c3nn[n-]n3)CC2)nc1 ZINC000826385407 594454033 /nfs/dbraw/zinc/45/40/33/594454033.db2.gz KVPNSHFNMQLFNZ-UHFFFAOYSA-N -1 3 347.386 1.609 20 30 EDEDHM N#Cc1cccc([C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)c1 ZINC000826386622 594454945 /nfs/dbraw/zinc/45/49/45/594454945.db2.gz MJPOJIVHLYKZBN-HNNXBMFYSA-N -1 3 349.354 1.280 20 30 EDEDHM N#Cc1cccc([C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)c1 ZINC000826386622 594454946 /nfs/dbraw/zinc/45/49/46/594454946.db2.gz MJPOJIVHLYKZBN-HNNXBMFYSA-N -1 3 349.354 1.280 20 30 EDEDHM N#Cc1ncn(Cc2coc(-c3cccc(F)c3)n2)c1-c1nnn[n-]1 ZINC000826388289 594455350 /nfs/dbraw/zinc/45/53/50/594455350.db2.gz QJFDRMKCKDTLHV-UHFFFAOYSA-N -1 3 336.290 1.777 20 30 EDEDHM N#Cc1nc(N)n(CCCc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826387863 594455534 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/nfs/dbraw/zinc/05/51/72/595055172.db2.gz QTGMIOYOEFVQFZ-UHFFFAOYSA-N -1 3 328.806 1.927 20 30 EDEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000867322548 595058940 /nfs/dbraw/zinc/05/89/40/595058940.db2.gz RIDALCHPPMJAFO-OAHLLOKOSA-N -1 3 340.470 1.733 20 30 EDEDHM O=C(C#CC1CC1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000837323246 595085057 /nfs/dbraw/zinc/08/50/57/595085057.db2.gz ZWPPNDPYPVWOPS-UHFFFAOYSA-N -1 3 338.454 1.431 20 30 EDEDHM C#C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000867339565 595240665 /nfs/dbraw/zinc/24/06/65/595240665.db2.gz MTMKPPPDXIHHBS-ZYHUDNBSSA-N -1 3 347.820 1.026 20 30 EDEDHM C#CC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000844046786 595256986 /nfs/dbraw/zinc/25/69/86/595256986.db2.gz HOJGZFIREDBIPW-INIZCTEOSA-N -1 3 326.396 1.869 20 30 EDEDHM C=C(C)CONC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000846539527 595270295 /nfs/dbraw/zinc/27/02/95/595270295.db2.gz ZDKMXUZNURFVKB-JTQLQIEISA-N -1 3 347.824 1.416 20 30 EDEDHM CC(C)(O)CO[N-]C(=O)Cc1ccc(Br)cc1C#N ZINC000846642155 595290565 /nfs/dbraw/zinc/29/05/65/595290565.db2.gz DXSILJOCEARDMO-UHFFFAOYSA-N -1 3 327.178 1.682 20 30 EDEDHM O=C(CCOCC(F)(F)C(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000848133727 595324589 /nfs/dbraw/zinc/32/45/89/595324589.db2.gz GEFWTERCOWFFBB-SSDOTTSWSA-N -1 3 334.241 1.087 20 30 EDEDHM Cc1sc(Br)nc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848134044 595325070 /nfs/dbraw/zinc/32/50/70/595325070.db2.gz MNKYKDIUWOFTSJ-LURJTMIESA-N -1 3 334.195 1.324 20 30 EDEDHM O=C(CCCOc1ccc2c(c1)CCC2)N[C@H]1CCCN([O-])C1=O ZINC000848137062 595325806 /nfs/dbraw/zinc/32/58/06/595325806.db2.gz XVHNBFGZQUKZRY-INIZCTEOSA-N -1 3 332.400 1.831 20 30 EDEDHM CCN(CC)C(=O)c1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000848137623 595326261 /nfs/dbraw/zinc/32/62/61/595326261.db2.gz DBLFIWKTBUIBIH-AWEZNQCLSA-N -1 3 333.388 1.279 20 30 EDEDHM Cc1c(C(=O)N[C@H]2CCCN([O-])C2=O)cnn1-c1ccc(C)cc1 ZINC000848139321 595327235 /nfs/dbraw/zinc/32/72/35/595327235.db2.gz ZVQGOLHDKAXOLH-HNNXBMFYSA-N -1 3 328.372 1.599 20 30 EDEDHM C=C[C@@H](C)ON=C([O-])Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000844496634 595350663 /nfs/dbraw/zinc/35/06/63/595350663.db2.gz XNWSWJXYMVGQKL-SNVBAGLBSA-N -1 3 329.378 1.496 20 30 EDEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000844496634 595350666 /nfs/dbraw/zinc/35/06/66/595350666.db2.gz XNWSWJXYMVGQKL-SNVBAGLBSA-N -1 3 329.378 1.496 20 30 EDEDHM C#C[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000848290469 595354449 /nfs/dbraw/zinc/35/44/49/595354449.db2.gz ATGQTYMVIUYWBQ-ZDUSSCGKSA-N -1 3 338.404 1.366 20 30 EDEDHM C=C(C)CON=C([O-])Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC000844586024 595362088 /nfs/dbraw/zinc/36/20/88/595362088.db2.gz UIJIXBDQRPYZMG-UHFFFAOYSA-N -1 3 343.405 1.575 20 30 EDEDHM C=C(C)CO[N-]C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC000844586024 595362092 /nfs/dbraw/zinc/36/20/92/595362092.db2.gz UIJIXBDQRPYZMG-UHFFFAOYSA-N -1 3 343.405 1.575 20 30 EDEDHM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)[N-]1 ZINC000845372916 595486087 /nfs/dbraw/zinc/48/60/87/595486087.db2.gz KNOMVLLVWNRWOB-GFCCVEGCSA-N -1 3 347.314 1.292 20 30 EDEDHM Cn1cc(S(=O)(=O)[N-]CC(C)(C)CC#N)c(Br)n1 ZINC000867384919 595499770 /nfs/dbraw/zinc/49/97/70/595499770.db2.gz RUYJXLKUPDUZLA-UHFFFAOYSA-N -1 3 335.227 1.401 20 30 EDEDHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000849412752 595523091 /nfs/dbraw/zinc/52/30/91/595523091.db2.gz XSCLNJNRDLQVEO-NSHDSACASA-N -1 3 325.409 1.848 20 30 EDEDHM CC(C)[C@@H]([N-]S(=O)(=O)C1CC1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC000851084945 595723758 /nfs/dbraw/zinc/72/37/58/595723758.db2.gz YNMDXKVRQCRGSZ-YRGRVCCFSA-N -1 3 328.434 1.718 20 30 EDEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCCCC1CCC1 ZINC000855801931 595827140 /nfs/dbraw/zinc/82/71/40/595827140.db2.gz BQRDOKHJJOFOAI-UHFFFAOYSA-N -1 3 335.429 1.422 20 30 EDEDHM CCOC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000859317702 596048287 /nfs/dbraw/zinc/04/82/87/596048287.db2.gz UQJBBTLFBPMYGZ-ZDUSSCGKSA-N -1 3 338.360 1.628 20 30 EDEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC ZINC000859425070 596089810 /nfs/dbraw/zinc/08/98/10/596089810.db2.gz ZENSQPOZHNWKLR-LLVKDONJSA-N -1 3 343.401 1.335 20 30 EDEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000859425403 596090011 /nfs/dbraw/zinc/09/00/11/596090011.db2.gz HOPUCBDLOIUMOZ-JTQLQIEISA-N -1 3 331.415 1.241 20 30 EDEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000859426825 596091414 /nfs/dbraw/zinc/09/14/14/596091414.db2.gz XXTUHDNKHLRPKM-LBPRGKRZSA-N -1 3 343.376 1.319 20 30 EDEDHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1cn(CC2CC2)c(CC)n1 ZINC000859428040 596092286 /nfs/dbraw/zinc/09/22/86/596092286.db2.gz AIMQHIIMVURGBW-ZDUSSCGKSA-N -1 3 325.434 1.172 20 30 EDEDHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC000859429867 596093627 /nfs/dbraw/zinc/09/36/27/596093627.db2.gz JWGNXLQNGBFIBD-LBPRGKRZSA-N -1 3 343.376 1.319 20 30 EDEDHM C#CC[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000862558068 596346510 /nfs/dbraw/zinc/34/65/10/596346510.db2.gz NDTRPLNRFHIVKD-CYBMUJFWSA-N -1 3 338.404 1.366 20 30 EDEDHM C#CC[C@@H]1CCN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000862564620 596347765 /nfs/dbraw/zinc/34/77/65/596347765.db2.gz ZVNVBTLFMSENBI-CYBMUJFWSA-N -1 3 337.379 1.130 20 30 EDEDHM C[C@H](CC1CCC1)NC(=O)CC/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000871085808 596459747 /nfs/dbraw/zinc/45/97/47/596459747.db2.gz USMDAKYVHMWAGK-GFCCVEGCSA-N -1 3 349.456 1.810 20 30 EDEDHM C#CC[C@@H](OC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1ccccn1 ZINC000119431171 596562535 /nfs/dbraw/zinc/56/25/35/596562535.db2.gz NNPHVESIVQZAJU-CQSZACIVSA-N -1 3 348.380 1.813 20 30 EDEDHM Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCN([O-])C2=O)nc1C(F)(F)F ZINC000868563820 596885139 /nfs/dbraw/zinc/88/51/39/596885139.db2.gz WITXHLJHLOEIEF-SECBINFHSA-N -1 3 348.325 1.442 20 30 EDEDHM CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1ccc(C)cc1C#N ZINC000872469083 596923302 /nfs/dbraw/zinc/92/33/02/596923302.db2.gz JQICWVYJXWLOAR-UHFFFAOYSA-N -1 3 348.428 1.650 20 30 EDEDHM O=C(CC/N=C1/[N-]S(=O)(=O)c2ccccc21)N[C@@H]1CC12CCC2 ZINC000874790572 597179765 /nfs/dbraw/zinc/17/97/65/597179765.db2.gz KYSLNGXSEKTVEK-CYBMUJFWSA-N -1 3 333.413 1.174 20 30 EDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000874884191 597209524 /nfs/dbraw/zinc/20/95/24/597209524.db2.gz HGPYMFLVCGGTNG-CYBMUJFWSA-N -1 3 331.416 1.828 20 30 EDEDHM CCCOC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000124562300 597311111 /nfs/dbraw/zinc/31/11/11/597311111.db2.gz LRTQKNGFLFJIEW-UHFFFAOYSA-N -1 3 330.793 1.833 20 30 EDEDHM O=C(Nc1ccccc1CN1CCOCC1)N[C@H]1CCCN([O-])C1=O ZINC000878370164 597598049 /nfs/dbraw/zinc/59/80/49/597598049.db2.gz GNJMEZIOCUGVGJ-HNNXBMFYSA-N -1 3 348.403 1.021 20 30 EDEDHM C=CCN1CC[C@H](N(C)Cc2nnc(-c3ccccc3[O-])o2)C1=O ZINC000878549138 597631026 /nfs/dbraw/zinc/63/10/26/597631026.db2.gz BJJWSUYHBDGYSR-ZDUSSCGKSA-N -1 3 328.372 1.661 20 30 EDEDHM CC(C)Cn1ncc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1C1CC1 ZINC000879586792 597645348 /nfs/dbraw/zinc/64/53/48/597645348.db2.gz UYUYVUDYMZWLNT-GFCCVEGCSA-N -1 3 335.408 1.918 20 30 EDEDHM O=C(N[C@H](c1ccccc1)C(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000879257795 597867096 /nfs/dbraw/zinc/86/70/96/597867096.db2.gz VHWCXWYOKDBSIE-WDEREUQCSA-N -1 3 331.294 1.969 20 30 EDEDHM N#CCOc1ccc(CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737696356 598496365 /nfs/dbraw/zinc/49/63/65/598496365.db2.gz QOLRPBZCTRMWBG-UHFFFAOYSA-N -1 3 348.366 1.628 20 30 EDEDHM N#CCOc1ccc(CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737696356 598496366 /nfs/dbraw/zinc/49/63/66/598496366.db2.gz QOLRPBZCTRMWBG-UHFFFAOYSA-N -1 3 348.366 1.628 20 30 EDEDHM N#Cc1ccc([C@H](NCCn2c(=O)oc3ccccc32)C(=O)[O-])cc1 ZINC000739107631 600598004 /nfs/dbraw/zinc/59/80/04/600598004.db2.gz SHOCFQTVKWVWKR-INIZCTEOSA-N -1 3 337.335 1.882 20 30 EDEDHM CCOC(=O)C1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCC1 ZINC000825493909 609466701 /nfs/dbraw/zinc/46/67/01/609466701.db2.gz QICIGEYJSONJLQ-UHFFFAOYSA-N -1 3 340.343 1.410 20 30 EDEDHM CCOC(=O)C1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCC1 ZINC000825493909 609466702 /nfs/dbraw/zinc/46/67/02/609466702.db2.gz QICIGEYJSONJLQ-UHFFFAOYSA-N -1 3 340.343 1.410 20 30 EDEDHM C=C(C)CN1CCC[C@H](NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)[C@H]1C ZINC000993574437 696228766 /nfs/dbraw/zinc/22/87/66/696228766.db2.gz UBFBYWJXSSHXSV-WBVHZDCISA-N -1 3 348.491 1.920 20 30 EDEDHM COC[C@H](C)NC(=S)NN=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000916281394 696647554 /nfs/dbraw/zinc/64/75/54/696647554.db2.gz LOCXERWUUWSXLY-QMMMGPOBSA-N -1 3 331.825 1.887 20 30 EDEDHM C=CCCC(=O)N[C@H]1CC[C@H](CNC(=O)c2cnc[n-]c2=O)CC1 ZINC001060688858 696933860 /nfs/dbraw/zinc/93/38/60/696933860.db2.gz NFTFIEGREIGAJL-JOCQHMNTSA-N -1 3 332.404 1.553 20 30 EDEDHM Cc1cccnc1NC(=O)[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000917371709 697007440 /nfs/dbraw/zinc/00/74/40/697007440.db2.gz CEYFCXLPSKHBDS-LLVKDONJSA-N -1 3 344.396 1.456 20 30 EDEDHM CNS(=O)(=O)c1cccc(C(C)=N[N-]c2[nH+]cnc3[n-]cnc32)c1 ZINC000917555270 697039252 /nfs/dbraw/zinc/03/92/52/697039252.db2.gz IGXZRSXXVNFGKJ-UHFFFAOYSA-N -1 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C=C[C@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000819729139 593765975 /nfs/dbraw/zinc/76/59/75/593765975.db2.gz DEIQNXLZOITDDG-QMMMGPOBSA-N -1 3 332.433 1.970 20 30 EDEDHM C=C[C@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000819729139 593765976 /nfs/dbraw/zinc/76/59/76/593765976.db2.gz DEIQNXLZOITDDG-QMMMGPOBSA-N -1 3 332.433 1.970 20 30 EDEDHM C=CCCCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000819734086 593766168 /nfs/dbraw/zinc/76/61/68/593766168.db2.gz HUOGRKFXKXKKOB-UHFFFAOYSA-N -1 3 341.419 1.703 20 30 EDEDHM C=CCCCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000819734086 593766169 /nfs/dbraw/zinc/76/61/69/593766169.db2.gz HUOGRKFXKXKKOB-UHFFFAOYSA-N -1 3 341.419 1.703 20 30 EDEDHM C=CCN(CC=C)C(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000819739758 593766376 /nfs/dbraw/zinc/76/63/76/593766376.db2.gz GIJNMRUVEPILEH-NSHDSACASA-N -1 3 331.351 1.974 20 30 EDEDHM C=CCN(CC=C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000819739758 593766377 /nfs/dbraw/zinc/76/63/77/593766377.db2.gz 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EDEDHM N#Cc1ncn(Cc2cc(Br)ccc2F)c1-c1nnn[n-]1 ZINC000826388328 594455680 /nfs/dbraw/zinc/45/56/80/594455680.db2.gz RYBHAJMRHDTMSY-UHFFFAOYSA-N -1 3 348.139 1.885 20 30 EDEDHM N#Cc1ncn(Cc2cccc(OCC(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826388111 594455714 /nfs/dbraw/zinc/45/57/14/594455714.db2.gz IRYPBXMSVNWUTN-UHFFFAOYSA-N -1 3 349.276 1.924 20 30 EDEDHM CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000827460189 594674245 /nfs/dbraw/zinc/67/42/45/594674245.db2.gz ONEDPKUNIARRDM-VXGBXAGGSA-N -1 3 347.371 1.979 20 30 EDEDHM N#Cc1ccc(OC[C@@H](O)CN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000833071740 594795864 /nfs/dbraw/zinc/79/58/64/594795864.db2.gz OQHSXOWYJAKWRX-INIZCTEOSA-N -1 3 332.400 1.875 20 30 EDEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000833073478 594796056 /nfs/dbraw/zinc/79/60/56/594796056.db2.gz CGNCJRKIHCLNCH-LSDHHAIUSA-N -1 3 328.372 1.174 20 30 EDEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000840707594 594812025 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CCN(CC)c1ccnc(N=NCc2ccccc2-c2nn[n-]n2)n1 ZINC000825416006 594181870 /nfs/dbraw/zinc/18/18/70/594181870.db2.gz GKGMECSABOMZOG-UHFFFAOYSA-N -1 3 337.391 1.949 20 30 EDEDHM C#C[C@H](NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O)C1CCOCC1 ZINC000825666993 594213032 /nfs/dbraw/zinc/21/30/32/594213032.db2.gz RIVPODLOAIMLQA-HNNXBMFYSA-N -1 3 346.333 1.965 20 30 EDEDHM CN1CCc2cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000826044733 594316029 /nfs/dbraw/zinc/31/60/29/594316029.db2.gz JXJAODATHGKCBE-UHFFFAOYSA-N -1 3 333.399 1.983 20 30 EDEDHM CN(C[C@H]1CCCN1C[C@H](O)COc1ccc(C#N)cc1)C(=O)[O-] ZINC000828224247 594369525 /nfs/dbraw/zinc/36/95/25/594369525.db2.gz WGKQZJULZIZKPO-CABCVRRESA-N -1 3 333.388 1.372 20 30 EDEDHM Cc1cnc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)s1 ZINC000826318473 594423036 /nfs/dbraw/zinc/42/30/36/594423036.db2.gz KYEPVFQVTHTCSR-UHFFFAOYSA-N -1 3 330.402 1.773 20 30 EDEDHM Cc1cnc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)s1 ZINC000826318473 594423037 /nfs/dbraw/zinc/42/30/37/594423037.db2.gz 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594363847 /nfs/dbraw/zinc/36/38/47/594363847.db2.gz STDVYTLAXFQTHQ-GFCCVEGCSA-N -1 3 342.403 1.878 20 30 EDEDHM Cc1nccn1CCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000826331419 594429820 /nfs/dbraw/zinc/42/98/20/594429820.db2.gz HMVKWHRFTRYYOK-UHFFFAOYSA-N -1 3 327.377 1.013 20 30 EDEDHM Cc1nccn1CCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000826331419 594429823 /nfs/dbraw/zinc/42/98/23/594429823.db2.gz HMVKWHRFTRYYOK-UHFFFAOYSA-N -1 3 327.377 1.013 20 30 EDEDHM Cn1cc(C#N)cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826358183 594443122 /nfs/dbraw/zinc/44/31/22/594443122.db2.gz JNHNPPPVODAYOW-UHFFFAOYSA-N -1 3 326.291 1.573 20 30 EDEDHM Cn1cc(C#N)cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826358183 594443123 /nfs/dbraw/zinc/44/31/23/594443123.db2.gz JNHNPPPVODAYOW-UHFFFAOYSA-N -1 3 326.291 1.573 20 30 EDEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000826371754 594448854 /nfs/dbraw/zinc/44/88/54/594448854.db2.gz SJTQXSQOMJGLFS-CHWSQXEVSA-N -1 3 328.355 1.200 20 30 EDEDHM 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CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000919061795 697237754 /nfs/dbraw/zinc/23/77/54/697237754.db2.gz OWOACWHWVDEDFU-NSHDSACASA-N -1 3 330.344 1.835 20 30 EDEDHM CN(C)[C@H](CC[N-]S(=O)(=O)c1ccsc1C#N)C(F)(F)F ZINC000921634695 703788164 /nfs/dbraw/zinc/78/81/64/703788164.db2.gz YCMDSKJSQGIGNR-SNVBAGLBSA-N -1 3 341.380 1.781 20 30 EDEDHM C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)c1ccccc1[O-] ZINC001061629377 707379092 /nfs/dbraw/zinc/37/90/92/707379092.db2.gz RUOUXBNZPQJOPT-CQSZACIVSA-N -1 3 332.400 1.706 20 30 EDEDHM C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001032730037 707727105 /nfs/dbraw/zinc/72/71/05/707727105.db2.gz ROCMVKGEVDKCQW-RYUDHWBXSA-N -1 3 328.372 1.793 20 30 EDEDHM C#CCCN1CC[C@@H](N(CC)C(=O)c2n[n-]c3ccccc3c2=O)C1 ZINC001033973582 709166546 /nfs/dbraw/zinc/16/65/46/709166546.db2.gz FESVPAODLLSHIQ-CQSZACIVSA-N -1 3 338.411 1.895 20 30 EDEDHM C=C(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001061312533 710531016 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C=CCCOCC[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000277677486 201304063 /nfs/dbraw/zinc/30/40/63/201304063.db2.gz IJNLJACCADUVBX-UHFFFAOYSA-N -1 3 331.365 1.483 20 30 EDEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000155790849 206034868 /nfs/dbraw/zinc/03/48/68/206034868.db2.gz WPWSBBMOWNBWAM-SNPRPXQTSA-N -1 3 336.388 1.933 20 30 EDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cnn(C)c1 ZINC000159269169 206235233 /nfs/dbraw/zinc/23/52/33/206235233.db2.gz PTYWQUNNBJBGDE-LLVKDONJSA-N -1 3 327.388 1.407 20 30 EDEDHM COC(=O)c1cc(S(=O)(=O)[N-]C2(C#N)CCCCC2)c(C)o1 ZINC000132390292 284535026 /nfs/dbraw/zinc/53/50/26/284535026.db2.gz RYPKCMKTXKSHQS-UHFFFAOYSA-N -1 3 326.374 1.879 20 30 EDEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000345519299 250030798 /nfs/dbraw/zinc/03/07/98/250030798.db2.gz AGZILKIYUVYTRL-UHFFFAOYSA-N -1 3 347.408 1.722 20 30 EDEDHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccccc2F)cn1 ZINC000353090847 250081053 /nfs/dbraw/zinc/08/10/53/250081053.db2.gz 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3 344.820 1.277 20 30 EDEDHM N#Cc1cccnc1-n1cc([N-]S(=O)(=O)N2CCCCC2)cn1 ZINC000372015041 156210717 /nfs/dbraw/zinc/21/07/17/156210717.db2.gz FQEOSOHSWFGHTO-UHFFFAOYSA-N -1 3 332.389 1.282 20 30 EDEDHM N#Cc1cc(C(=O)NC2CCN(C(=O)c3cccc([O-])c3)CC2)c[nH]1 ZINC000378473343 158184385 /nfs/dbraw/zinc/18/43/85/158184385.db2.gz KUEYHNXYMMMMMQ-UHFFFAOYSA-N -1 3 338.367 1.627 20 30 EDEDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCOCC1 ZINC000126636173 287425448 /nfs/dbraw/zinc/42/54/48/287425448.db2.gz INQLRJZVZPGIOE-SNVBAGLBSA-N -1 3 339.373 1.560 20 30 EDEDHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000428265593 269792998 /nfs/dbraw/zinc/79/29/98/269792998.db2.gz IMUBIGIOHRKSSW-GFCCVEGCSA-N -1 3 331.397 1.871 20 30 EDEDHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000290436617 270010659 /nfs/dbraw/zinc/01/06/59/270010659.db2.gz BJYHPVKXMINXGJ-UHFFFAOYSA-N -1 3 346.412 1.694 20 30 EDEDHM C[C@@]1(C[C@H]2CCCN2c2ccc(C#N)c([N+](=O)[O-])c2)NC(=O)[N-]C1=O ZINC000291245973 267118026 /nfs/dbraw/zinc/11/80/26/267118026.db2.gz XXUFLIFUXCSCGQ-WBMJQRKESA-N -1 3 343.343 1.423 20 30 EDEDHM CCOC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000495347932 267124905 /nfs/dbraw/zinc/12/49/05/267124905.db2.gz OJEKFLRMEQOMKL-LLVKDONJSA-N -1 3 341.364 1.206 20 30 EDEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ncn(C)n1 ZINC000392100012 267187503 /nfs/dbraw/zinc/18/75/03/267187503.db2.gz HZAQDEFRKJPBTB-QMMMGPOBSA-N -1 3 325.781 1.380 20 30 EDEDHM N#Cc1ccc(C2(C(=O)NCCNC(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000188773616 268052449 /nfs/dbraw/zinc/05/24/49/268052449.db2.gz WEHSNLRDHBRGGT-UHFFFAOYSA-N -1 3 349.390 1.842 20 30 EDEDHM N#Cc1ccc(NCC(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000135551564 268154290 /nfs/dbraw/zinc/15/42/90/268154290.db2.gz SLRADXNJDLVSGX-UHFFFAOYSA-N -1 3 333.355 1.713 20 30 EDEDHM N#Cc1ccc(NCC(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000135551564 268154295 /nfs/dbraw/zinc/15/42/95/268154295.db2.gz SLRADXNJDLVSGX-UHFFFAOYSA-N -1 3 333.355 1.713 20 30 EDEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc3O2)c(F)c1 ZINC000530425295 268257345 /nfs/dbraw/zinc/25/73/45/268257345.db2.gz GWEWGKPCFWKTHU-GFCCVEGCSA-N -1 3 348.355 1.816 20 30 EDEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCc2ccccc2OC1 ZINC000376398401 295002490 /nfs/dbraw/zinc/00/24/90/295002490.db2.gz MCTHRWSVWLSLPD-CYBMUJFWSA-N -1 3 329.381 1.625 20 30 EDEDHM C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000331166266 300614408 /nfs/dbraw/zinc/61/44/08/300614408.db2.gz BJQNRQLVGDPZPG-NOZJJQNGSA-N -1 3 330.793 1.030 20 30 EDEDHM COC(=O)[C@@]1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCSC1 ZINC000535372677 306013295 /nfs/dbraw/zinc/01/32/95/306013295.db2.gz GCUPLBQXBVTVNR-CYBMUJFWSA-N -1 3 344.389 1.024 20 30 EDEDHM CCc1nncn1CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000548120862 306120320 /nfs/dbraw/zinc/12/03/20/306120320.db2.gz AHWKFJYAGRGGCR-UHFFFAOYSA-N -1 3 339.808 1.344 20 30 EDEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000045466870 440991749 /nfs/dbraw/zinc/99/17/49/440991749.db2.gz 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O=C(CSc1nccc2ccccc21)N[C@@H]1CCCN([O-])C1=O ZINC000816759397 593549517 /nfs/dbraw/zinc/54/95/17/593549517.db2.gz MCODMOCPZAMDEQ-CYBMUJFWSA-N -1 3 331.397 1.823 20 30 EDEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(C#N)C2)ccc1F ZINC000817558682 593613135 /nfs/dbraw/zinc/61/31/35/593613135.db2.gz MYLMEULBAKEOGD-UHFFFAOYSA-N -1 3 339.392 1.498 20 30 EDEDHM C=CCCCN(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000819739900 593766385 /nfs/dbraw/zinc/76/63/85/593766385.db2.gz KINCWQSBORKULI-UHFFFAOYSA-N -1 3 332.339 1.369 20 30 EDEDHM C=CCCCN(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819739900 593766386 /nfs/dbraw/zinc/76/63/86/593766386.db2.gz KINCWQSBORKULI-UHFFFAOYSA-N -1 3 332.339 1.369 20 30 EDEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819745624 593766769 /nfs/dbraw/zinc/76/67/69/593766769.db2.gz MPIWQAPOGQSKKH-UHFFFAOYSA-N -1 3 333.355 1.895 20 30 EDEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819745624 593766770 /nfs/dbraw/zinc/76/67/70/593766770.db2.gz MPIWQAPOGQSKKH-UHFFFAOYSA-N -1 3 333.355 1.895 20 30 EDEDHM C[C@@H](C#N)CN(C)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819844897 593771814 /nfs/dbraw/zinc/77/18/14/593771814.db2.gz NQTQALGQPBBJPC-NSHDSACASA-N -1 3 328.376 1.642 20 30 EDEDHM C[C@@H](C#N)CN(C)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819844897 593771815 /nfs/dbraw/zinc/77/18/15/593771815.db2.gz NQTQALGQPBBJPC-NSHDSACASA-N -1 3 328.376 1.642 20 30 EDEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](C)C#N ZINC000819844930 593771846 /nfs/dbraw/zinc/77/18/46/593771846.db2.gz OUKHCLITHFDKDQ-JTQLQIEISA-N -1 3 329.364 1.935 20 30 EDEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](C)C#N ZINC000819844930 593771847 /nfs/dbraw/zinc/77/18/47/593771847.db2.gz OUKHCLITHFDKDQ-JTQLQIEISA-N -1 3 329.364 1.935 20 30 EDEDHM CC(C)[C@@H](C#N)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000820012162 593783199 /nfs/dbraw/zinc/78/31/99/593783199.db2.gz VEIXPIKWYUOABY-MRXNPFEDSA-N -1 3 343.410 1.672 20 30 EDEDHM 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C=CCCN(C)C(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000342534892 250008189 /nfs/dbraw/zinc/00/81/89/250008189.db2.gz KWIVTVYDWORBAI-QGZVFWFLSA-N -1 3 330.388 1.459 20 30 EDEDHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@@H](C#N)CC)c1 ZINC000355258333 250109241 /nfs/dbraw/zinc/10/92/41/250109241.db2.gz ZCNQDTQNXKISLK-SNVBAGLBSA-N -1 3 344.364 1.591 20 30 EDEDHM C=C(C)[C@H]1OCC[C@@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000355799441 250122201 /nfs/dbraw/zinc/12/22/01/250122201.db2.gz QBEKGYFTJSKMLW-SMDDNHRTSA-N -1 3 342.392 1.654 20 30 EDEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000370462383 250207205 /nfs/dbraw/zinc/20/72/05/250207205.db2.gz RUURIWJCGFYXKG-WFASDCNBSA-N -1 3 325.434 1.479 20 30 EDEDHM COC(=O)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000416611967 251082288 /nfs/dbraw/zinc/08/22/88/251082288.db2.gz CJGXMNFKAKUODY-DTORHVGOSA-N -1 3 328.777 1.442 20 30 EDEDHM C=CCn1cc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nn1 ZINC000424905010 252283998 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GZMREGRZCSURQS-UHFFFAOYSA-N -1 3 331.416 1.829 20 30 EDEDHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)C[C@@H](C)OC)cc1C#N ZINC000282118271 266269361 /nfs/dbraw/zinc/26/93/61/266269361.db2.gz AYZHMANUERATKC-SNVBAGLBSA-N -1 3 341.389 1.903 20 30 EDEDHM C[C@@]1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCOC1 ZINC000287946963 267118319 /nfs/dbraw/zinc/11/83/19/267118319.db2.gz WHDQJPNDQVPIQR-GFCCVEGCSA-N -1 3 345.218 1.778 20 30 EDEDHM C[C@H]1CN(CCCCNC(=O)c2ccc(C#N)c([O-])c2)C[C@H](C)O1 ZINC000188762308 267229753 /nfs/dbraw/zinc/22/97/53/267229753.db2.gz IBWOFNKTFOENRM-KBPBESRZSA-N -1 3 331.416 1.883 20 30 EDEDHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(C#N)c(F)c1)C(F)(F)F ZINC000292491064 267256906 /nfs/dbraw/zinc/25/69/06/267256906.db2.gz GBILNDIGRYVQBT-JTQLQIEISA-N -1 3 326.271 1.289 20 30 EDEDHM COC(=O)CC1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCC1 ZINC000530940857 267359884 /nfs/dbraw/zinc/35/98/84/267359884.db2.gz SPEYVGOBGZGBSW-UHFFFAOYSA-N -1 3 326.349 1.461 20 30 EDEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)[C@@H]1CCCOC1 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N#Cc1cccc(/C=C/C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000156546168 442493165 /nfs/dbraw/zinc/49/31/65/442493165.db2.gz RDEDSYFIFAPVFJ-RUDMXATFSA-N -1 3 335.363 1.823 20 30 EDEDHM CNC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(C)C ZINC000178874503 442510444 /nfs/dbraw/zinc/51/04/44/442510444.db2.gz MDIMMWNISCFEAU-GFCCVEGCSA-N -1 3 329.809 1.261 20 30 EDEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(N)=O)o2)c(Cl)c1 ZINC000180080651 442537687 /nfs/dbraw/zinc/53/76/87/442537687.db2.gz MYWHOBVLXSGETK-UHFFFAOYSA-N -1 3 339.760 1.382 20 30 EDEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(N)=O)C1 ZINC000157839986 442619312 /nfs/dbraw/zinc/61/93/12/442619312.db2.gz XLSWGDKXQRTMGA-CABZTGNLSA-N -1 3 325.365 1.020 20 30 EDEDHM C=CCCC[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000182643291 442800432 /nfs/dbraw/zinc/80/04/32/442800432.db2.gz NXFMSFAXGOHLQF-GFCCVEGCSA-N -1 3 342.465 1.258 20 30 EDEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nc[nH]n1 ZINC000183201099 442901386 /nfs/dbraw/zinc/90/13/86/442901386.db2.gz FLVSBDZHDUURAP-SSDOTTSWSA-N -1 3 345.306 1.735 20 30 EDEDHM CC(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183420081 442930016 /nfs/dbraw/zinc/93/00/16/442930016.db2.gz NBTXZOYWWXKYGM-UHFFFAOYSA-N -1 3 329.809 1.262 20 30 EDEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(N)=O)C2)c1 ZINC000184824738 443082092 /nfs/dbraw/zinc/08/20/92/443082092.db2.gz RGCLSEOGUGEVAK-QWRGUYRKSA-N -1 3 341.820 1.534 20 30 EDEDHM C=CCSCC[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000228537687 443124803 /nfs/dbraw/zinc/12/48/03/443124803.db2.gz ZRPLHCHUNXLTQB-UHFFFAOYSA-N -1 3 333.406 1.810 20 30 EDEDHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)CCOC)cc1C#N ZINC000269685913 443395898 /nfs/dbraw/zinc/39/58/98/443395898.db2.gz HNKHZEZHCXXGBH-UHFFFAOYSA-N -1 3 327.362 1.515 20 30 EDEDHM C=CCCOCCNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000270284741 443465499 /nfs/dbraw/zinc/46/54/99/443465499.db2.gz UQQMBMWVXBVOIH-QGZVFWFLSA-N -1 3 331.372 1.064 20 30 EDEDHM 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CC(C)Oc1ccccc1C(F)(F)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820130658 593793638 /nfs/dbraw/zinc/79/36/38/593793638.db2.gz ADOXKJUUGVEVNH-LLVKDONJSA-N -1 3 328.315 1.672 20 30 EDEDHM Cc1ccc(Br)c(C)c1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820137203 593794272 /nfs/dbraw/zinc/79/42/72/593794272.db2.gz KUUNUAXHBIASAY-SNVBAGLBSA-N -1 3 327.178 1.786 20 30 EDEDHM COc1ccc(CC(=O)N[C@@H]2CCN([O-])C2=O)c(Cl)c1OC ZINC000820137232 593794369 /nfs/dbraw/zinc/79/43/69/593794369.db2.gz LFJIRPBEOKYYGO-SECBINFHSA-N -1 3 328.752 1.006 20 30 EDEDHM C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820137815 593794431 /nfs/dbraw/zinc/79/44/31/593794431.db2.gz SCFYKFCKYXDYFA-SKDRFNHKSA-N -1 3 346.305 1.870 20 30 EDEDHM CC(C)OC(=O)O[C@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000820142120 593794584 /nfs/dbraw/zinc/79/45/84/593794584.db2.gz GNWJAXISWIQAGH-ZETCQYMHSA-N -1 3 349.376 1.715 20 30 EDEDHM CC(C)OC(=O)O[C@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000820142120 593794585 /nfs/dbraw/zinc/79/45/85/593794585.db2.gz GNWJAXISWIQAGH-ZETCQYMHSA-N -1 3 349.376 1.715 20 30 EDEDHM CCc1c(C(=O)N[C@@H]2CCN([O-])C2=O)cnn1-c1ccccc1Cl ZINC000820144470 593794873 /nfs/dbraw/zinc/79/48/73/593794873.db2.gz WODDJGAEZMQNLY-GFCCVEGCSA-N -1 3 348.790 1.808 20 30 EDEDHM O=C(CCOc1cccc(Cl)c1Cl)N[C@H]1CCN([O-])C1=O ZINC000820156440 593795949 /nfs/dbraw/zinc/79/59/49/593795949.db2.gz IPPLERMXUKRLJZ-VIFPVBQESA-N -1 3 333.171 1.869 20 30 EDEDHM C=CC[N-]S(=O)(=O)c1ccc(CC(=O)N(C)C2CCC2)s1 ZINC000820317626 593809327 /nfs/dbraw/zinc/80/93/27/593809327.db2.gz LIGXMSDBGSZRHH-UHFFFAOYSA-N -1 3 328.459 1.766 20 30 EDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000820477192 593822229 /nfs/dbraw/zinc/82/22/29/593822229.db2.gz VOYAYNGQOQXTNC-GFCCVEGCSA-N -1 3 349.387 1.983 20 30 EDEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(CC#N)ccn1 ZINC000820542922 593828929 /nfs/dbraw/zinc/82/89/29/593828929.db2.gz SFNULZONUGHCDZ-LLVKDONJSA-N -1 3 349.354 1.734 20 30 EDEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(CC#N)ccn1 ZINC000820542922 593828931 /nfs/dbraw/zinc/82/89/31/593828931.db2.gz SFNULZONUGHCDZ-LLVKDONJSA-N -1 3 349.354 1.734 20 30 EDEDHM C#CCOc1cccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823855927 593873273 /nfs/dbraw/zinc/87/32/73/593873273.db2.gz FAYUHBJCHNNUDX-INIZCTEOSA-N -1 3 349.350 1.551 20 30 EDEDHM C#CCOc1cccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823855927 593873274 /nfs/dbraw/zinc/87/32/74/593873274.db2.gz FAYUHBJCHNNUDX-INIZCTEOSA-N -1 3 349.350 1.551 20 30 EDEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000823856716 593873746 /nfs/dbraw/zinc/87/37/46/593873746.db2.gz WRXJJMIFJYCQJE-UHFFFAOYSA-N -1 3 331.401 1.785 20 30 EDEDHM C#CCOCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000823856716 593873747 /nfs/dbraw/zinc/87/37/47/593873747.db2.gz WRXJJMIFJYCQJE-UHFFFAOYSA-N -1 3 331.401 1.785 20 30 EDEDHM C=CC[C@H](CO)CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000823888522 593880126 /nfs/dbraw/zinc/88/01/26/593880126.db2.gz PJGZJKARRFYBLV-VIFPVBQESA-N -1 3 346.341 1.712 20 30 EDEDHM C=CC[C@H](CO)CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000823888522 593880129 /nfs/dbraw/zinc/88/01/29/593880129.db2.gz PJGZJKARRFYBLV-VIFPVBQESA-N -1 3 346.341 1.712 20 30 EDEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccc(C#N)c1 ZINC000821612290 593880202 /nfs/dbraw/zinc/88/02/02/593880202.db2.gz PJLIUGJOZCZDPS-UHFFFAOYSA-N -1 3 332.367 1.939 20 30 EDEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccc(C#N)c1 ZINC000821612290 593880205 /nfs/dbraw/zinc/88/02/05/593880205.db2.gz PJLIUGJOZCZDPS-UHFFFAOYSA-N -1 3 332.367 1.939 20 30 EDEDHM C=CC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823888363 593880277 /nfs/dbraw/zinc/88/02/77/593880277.db2.gz KFYZSGSOBMNWCR-QMMMGPOBSA-N -1 3 327.797 1.763 20 30 EDEDHM C=CC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823888363 593880279 /nfs/dbraw/zinc/88/02/79/593880279.db2.gz KFYZSGSOBMNWCR-QMMMGPOBSA-N -1 3 327.797 1.763 20 30 EDEDHM C=CC[C@@H](CO)CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 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325.376 1.724 20 30 EDEDHM CC(=NNC(=S)N[C@H](C)C1CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953773 593893787 /nfs/dbraw/zinc/89/37/87/593893787.db2.gz PVVHMXFUGNWGCC-MRVPVSSYSA-N -1 3 347.423 1.992 20 30 EDEDHM CC(=NNC(=S)N[C@H](C)C1CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953773 593893790 /nfs/dbraw/zinc/89/37/90/593893790.db2.gz PVVHMXFUGNWGCC-MRVPVSSYSA-N -1 3 347.423 1.992 20 30 EDEDHM C=C[C@@H](C)ON=C([O-])Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC000824227427 593961303 /nfs/dbraw/zinc/96/13/03/593961303.db2.gz ACVNHCRMZYPSPB-GFCCVEGCSA-N -1 3 339.417 1.850 20 30 EDEDHM C=C[C@@H](C)O[N-]C(=O)Nc1cccc(CN2CCCS2(=O)=O)c1 ZINC000824227427 593961304 /nfs/dbraw/zinc/96/13/04/593961304.db2.gz ACVNHCRMZYPSPB-GFCCVEGCSA-N -1 3 339.417 1.850 20 30 EDEDHM CCCOC(=O)[C@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000821128705 593973153 /nfs/dbraw/zinc/97/31/53/593973153.db2.gz ZVALJJQZJSRZMK-ZETCQYMHSA-N -1 3 333.377 1.149 20 30 EDEDHM CCCOC(=O)[C@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000821128705 593973154 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Cn1cc(-c2nn[n-]n2)cc1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000822622381 594075021 /nfs/dbraw/zinc/07/50/21/594075021.db2.gz CDGQQPLMIVZHOB-UHFFFAOYSA-N -1 3 347.382 1.882 20 30 EDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCCOc1ccc(C#N)cc1 ZINC000822659531 594081217 /nfs/dbraw/zinc/08/12/17/594081217.db2.gz OQJINNDNRFLMBI-UHFFFAOYSA-N -1 3 338.327 1.313 20 30 EDEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCCOc1ccc(C#N)cc1 ZINC000822659531 594081218 /nfs/dbraw/zinc/08/12/18/594081218.db2.gz OQJINNDNRFLMBI-UHFFFAOYSA-N -1 3 338.327 1.313 20 30 EDEDHM N#C[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000822801669 594102472 /nfs/dbraw/zinc/10/24/72/594102472.db2.gz LVMSQYJTFKVRQE-AWEZNQCLSA-N -1 3 340.387 1.834 20 30 EDEDHM N#C[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000822801669 594102474 /nfs/dbraw/zinc/10/24/74/594102474.db2.gz LVMSQYJTFKVRQE-AWEZNQCLSA-N -1 3 340.387 1.834 20 30 EDEDHM N#CCCN(CC(F)(F)F)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822806218 594103390 /nfs/dbraw/zinc/10/33/90/594103390.db2.gz LEZDJKSRLOERTD-UHFFFAOYSA-N -1 3 338.293 1.714 20 30 EDEDHM N#CCCN(CC(F)(F)F)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822806218 594103392 /nfs/dbraw/zinc/10/33/92/594103392.db2.gz LEZDJKSRLOERTD-UHFFFAOYSA-N -1 3 338.293 1.714 20 30 EDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1csc(NC2CCCCC2)n1 ZINC000823160362 594162313 /nfs/dbraw/zinc/16/23/13/594162313.db2.gz DTIHMCHGFOFRAX-LLVKDONJSA-N -1 3 338.433 1.998 20 30 EDEDHM C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H]2CNC(=O)[O-])CC1 ZINC000823480973 594208165 /nfs/dbraw/zinc/20/81/65/594208165.db2.gz UJFQNYFHPJELOB-DZGCQCFKSA-N -1 3 338.452 1.762 20 30 EDEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)cc1F ZINC000829714268 594246295 /nfs/dbraw/zinc/24/62/95/594246295.db2.gz UQEXZTWRMBJCFH-JTQLQIEISA-N -1 3 328.365 1.891 20 30 EDEDHM COc1ccc(CNc2nnc(C)c(C)c2-c2nnn[n-]2)cc1C#N ZINC000826204524 594377590 /nfs/dbraw/zinc/37/75/90/594377590.db2.gz OBWCYAALSCAXKX-UHFFFAOYSA-N -1 3 336.359 1.766 20 30 EDEDHM COc1ccc(CNc2nnc(C)c(C)c2-c2nn[n-]n2)cc1C#N ZINC000826204524 594377592 /nfs/dbraw/zinc/37/75/92/594377592.db2.gz OBWCYAALSCAXKX-UHFFFAOYSA-N -1 3 336.359 1.766 20 30 EDEDHM Cc1cc(C(=O)N[C@@H](C)CC#N)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258769 594401862 /nfs/dbraw/zinc/40/18/62/594401862.db2.gz VZSQTGFIGOUMQJ-JTQLQIEISA-N -1 3 336.359 1.393 20 30 EDEDHM Cc1cc(C(=O)N[C@@H](C)CC#N)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258769 594401863 /nfs/dbraw/zinc/40/18/63/594401863.db2.gz VZSQTGFIGOUMQJ-JTQLQIEISA-N -1 3 336.359 1.393 20 30 EDEDHM Cc1nc(-c2cccc(-c3nnn[n-]3)c2)nn1C[C@@H](C#N)CCC#N ZINC000826322548 594425029 /nfs/dbraw/zinc/42/50/29/594425029.db2.gz RLLUPVARQHYIES-GFCCVEGCSA-N -1 3 333.359 1.877 20 30 EDEDHM Cc1nc(-c2cccc(-c3nn[n-]n3)c2)nn1C[C@@H](C#N)CCC#N ZINC000826322548 594425030 /nfs/dbraw/zinc/42/50/30/594425030.db2.gz RLLUPVARQHYIES-GFCCVEGCSA-N -1 3 333.359 1.877 20 30 EDEDHM Cc1nc2ccccc2c(=O)n1N=Cc1ccccc1-c1nnn[n-]1 ZINC000826329204 594428079 /nfs/dbraw/zinc/42/80/79/594428079.db2.gz UDEAXBOYUXTTKA-UHFFFAOYSA-N -1 3 331.339 1.767 20 30 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