smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CC(=O)OCc1ccc(F)cc1C#N)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497569 1078514276 /nfs/dbraw/zinc/51/42/76/1078514276.db2.gz WJQTZPAMHPWDTL-LBPRGKRZSA-N -1 3 401.419 2.258 20 30 HEEDHM Cc1cnn(CCCCCOC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000745495401 1078509859 /nfs/dbraw/zinc/50/98/59/1078509859.db2.gz GOZSCRQBTHSQIC-INIZCTEOSA-N -1 3 418.519 2.422 20 30 HEEDHM COc1ccc(OCCOC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000745495680 1078510419 /nfs/dbraw/zinc/51/04/19/1078510419.db2.gz HYAQLHBPRZIMRP-AWEZNQCLSA-N -1 3 418.471 2.135 20 30 HEEDHM C[C@H](CC(=O)OCCCCCn1cccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496356 1078511150 /nfs/dbraw/zinc/51/11/50/1078511150.db2.gz LROZFNDIDGEFNZ-OAHLLOKOSA-N -1 3 404.492 2.114 20 30 HEEDHM C[C@@H](CC(=O)OCC(=O)c1ccc(F)cc1F)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745496349 1078511356 /nfs/dbraw/zinc/51/13/56/1078511356.db2.gz LKZKLLSESROSQR-NSHDSACASA-N -1 3 422.409 2.208 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nccn3C)C2)ccc1F ZINC000769751055 1078539168 /nfs/dbraw/zinc/53/91/68/1078539168.db2.gz CLMDCMJJZBJKSU-HNNXBMFYSA-N -1 3 406.483 2.043 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)ccc1F ZINC000770112219 1078734101 /nfs/dbraw/zinc/73/41/01/1078734101.db2.gz NRQXSHNDCZUBID-NRFANRHFSA-N -1 3 413.474 2.471 20 30 HEEDHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3ccc(F)cc3OCC#N)CC2)n[n-]1 ZINC000770590941 1078899097 /nfs/dbraw/zinc/89/90/97/1078899097.db2.gz ZDLCNYDILLCUNO-UHFFFAOYSA-N -1 3 416.413 2.434 20 30 HEEDHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(F)cc3OCC#N)CC2)[n-]1 ZINC000770590941 1078899102 /nfs/dbraw/zinc/89/91/02/1078899102.db2.gz ZDLCNYDILLCUNO-UHFFFAOYSA-N -1 3 416.413 2.434 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCc1nncn1CCC ZINC000770904353 1079071886 /nfs/dbraw/zinc/07/18/86/1079071886.db2.gz DOBBPBZINNKESF-OAHLLOKOSA-N -1 3 419.507 2.029 20 30 HEEDHM C#CCOc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000766668452 1079250304 /nfs/dbraw/zinc/25/03/04/1079250304.db2.gz JFRXEYZUIRCEGU-UHFFFAOYSA-N -1 3 403.232 2.422 20 30 HEEDHM COc1cc(C=NN=c2cc[nH]c(N(C)C)n2)cc(I)c1[O-] ZINC000739417711 1076061643 /nfs/dbraw/zinc/06/16/43/1076061643.db2.gz CDHHETOFALXDAO-UHFFFAOYSA-N -1 3 413.219 2.307 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000741235986 1076428900 /nfs/dbraw/zinc/42/89/00/1076428900.db2.gz UUPSEKWNECIHIZ-CWLKWCNXSA-N -1 3 419.547 2.214 20 30 HEEDHM COc1cc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc(OC)c1 ZINC000742469743 1076842502 /nfs/dbraw/zinc/84/25/02/1076842502.db2.gz GVODIFXKLAZLJH-GFCCVEGCSA-N -1 3 403.460 2.160 20 30 HEEDHM COc1cc(C)c(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC000742474947 1076842867 /nfs/dbraw/zinc/84/28/67/1076842867.db2.gz PPSMABACXCUXFR-ZDUSSCGKSA-N -1 3 417.487 2.468 20 30 HEEDHM C[C@H](CC(=O)N[C@H](C)c1nc2ccccc2[nH]1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742500509 1076845465 /nfs/dbraw/zinc/84/54/65/1076845465.db2.gz DFMQSWPVAUKOQG-CHWSQXEVSA-N -1 3 411.487 2.257 20 30 HEEDHM COC(=O)c1ccc(F)c(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742509660 1076846322 /nfs/dbraw/zinc/84/63/22/1076846322.db2.gz BHMLLPFTLBOHTK-NSHDSACASA-N -1 3 419.434 2.068 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccc(-n2ccnc2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742517496 1076847054 /nfs/dbraw/zinc/84/70/54/1076847054.db2.gz MZZFUDRIRXTVBH-AWEZNQCLSA-N -1 3 409.471 2.328 20 30 HEEDHM CCOCc1ccccc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742527140 1076847864 /nfs/dbraw/zinc/84/78/64/1076847864.db2.gz IFTOBHMKSHHUMY-OAHLLOKOSA-N -1 3 415.515 2.357 20 30 HEEDHM COC(=O)c1cccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000742517415 1076849274 /nfs/dbraw/zinc/84/92/74/1076849274.db2.gz ALKOUCOECUKGPW-GFCCVEGCSA-N -1 3 415.471 2.237 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccn(-c2ccccc2)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742515964 1076849277 /nfs/dbraw/zinc/84/92/77/1076849277.db2.gz WLGSYKCIDGWELZ-AWEZNQCLSA-N -1 3 409.471 2.328 20 30 HEEDHM CC(C)Oc1ccc(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742544149 1076850257 /nfs/dbraw/zinc/85/02/57/1076850257.db2.gz CHRJNXDLOIZBKB-CQSZACIVSA-N -1 3 416.503 2.002 20 30 HEEDHM CCCCc1nnc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000742570786 1076852461 /nfs/dbraw/zinc/85/24/61/1076852461.db2.gz PZPYNNWZEZSDMY-NSHDSACASA-N -1 3 407.521 2.337 20 30 HEEDHM C[C@H](CC(=O)N(C)CCc1ccc(F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742578047 1076852939 /nfs/dbraw/zinc/85/29/39/1076852939.db2.gz KFJWJFZEWAGQPU-CQSZACIVSA-N -1 3 403.479 2.344 20 30 HEEDHM Cc1nc(-c2ccc(NC(=O)C[C@H](C)N=C3[N-]S(=O)(=O)c4ccccc43)cc2)n[nH]1 ZINC000742598628 1076854844 /nfs/dbraw/zinc/85/48/44/1076854844.db2.gz DWTPGWMPYQILGA-LBPRGKRZSA-N -1 3 424.486 2.236 20 30 HEEDHM C[C@H](CC(=O)Nc1nc(C(C)(C)C)ns1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742627895 1076859147 /nfs/dbraw/zinc/85/91/47/1076859147.db2.gz LRBQRUAYEVJTNV-SNVBAGLBSA-N -1 3 407.521 2.291 20 30 HEEDHM C[C@H](CC(=O)Nc1n[nH]c2ccc(F)cc21)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000742632249 1076859275 /nfs/dbraw/zinc/85/92/75/1076859275.db2.gz VUHDHUXLRYPBEO-SNVBAGLBSA-N -1 3 401.423 2.158 20 30 HEEDHM C[C@H](CC(=O)N(C)CCN(C)c1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742655033 1076864999 /nfs/dbraw/zinc/86/49/99/1076864999.db2.gz ZTCOHWDDEYCXKA-MRXNPFEDSA-N -1 3 414.531 2.099 20 30 HEEDHM C[C@H](CC(=O)NC[C@@H]1CCOc2ccccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742656474 1076865249 /nfs/dbraw/zinc/86/52/49/1076865249.db2.gz CPEVEKRUAJKTRR-CABCVRRESA-N -1 3 413.499 2.186 20 30 HEEDHM C[C@H](CC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742681745 1076866103 /nfs/dbraw/zinc/86/61/03/1076866103.db2.gz JNAIHKVTGLRYBE-PVXIVEMSSA-N -1 3 419.453 2.454 20 30 HEEDHM CC[C@](C)(NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nccs1 ZINC000742696444 1076867607 /nfs/dbraw/zinc/86/76/07/1076867607.db2.gz YYZKLDBZZQFJJF-XIKOKIGWSA-N -1 3 406.533 2.402 20 30 HEEDHM CC[C@@H]1CN(C(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCS1 ZINC000742923507 1076898287 /nfs/dbraw/zinc/89/82/87/1076898287.db2.gz LXHIMRLSYIZMOB-ZBFHGGJFSA-N -1 3 409.577 2.494 20 30 HEEDHM Cc1nc2cc(NC(=O)C[C@@H](C)/N=C3/[N-]S(=O)(=O)c4ccccc43)ccc2n1C ZINC000742945158 1076899393 /nfs/dbraw/zinc/89/93/93/1076899393.db2.gz IZHFAXXSRKNNEP-GFCCVEGCSA-N -1 3 411.487 2.338 20 30 HEEDHM Cc1ncc(CO)c(/C=N\CCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1[O-] ZINC000743043090 1076934137 /nfs/dbraw/zinc/93/41/37/1076934137.db2.gz RJJDSMQIHNBXDU-NDENLUEZSA-N -1 3 423.560 2.486 20 30 HEEDHM Cn1nc(Br)c2c1ncnc2[N-]N=C1CCN(Cc2ccccc2)C1=O ZINC000743438364 1077054815 /nfs/dbraw/zinc/05/48/15/1077054815.db2.gz NAHJHJVIQUALPA-UHFFFAOYSA-N -1 3 414.267 2.326 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)C[C@H](C)O ZINC000743575223 1077071723 /nfs/dbraw/zinc/07/17/23/1077071723.db2.gz OPLOGOTWITUWHO-HOCLYGCPSA-N -1 3 409.552 2.197 20 30 HEEDHM COCCc1ccc(OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000744023948 1077298600 /nfs/dbraw/zinc/29/86/00/1077298600.db2.gz XCQGKRFFCPAPJR-CQSZACIVSA-N -1 3 402.472 2.298 20 30 HEEDHM C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2[nH]1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744010242 1077303618 /nfs/dbraw/zinc/30/36/18/1077303618.db2.gz DZKNTEPVFWQGIP-OCCSQVGLSA-N -1 3 407.455 2.256 20 30 HEEDHM C[C@H](CC(=O)OCc1cccc([N+](=O)[O-])c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744077945 1077313630 /nfs/dbraw/zinc/31/36/30/1077313630.db2.gz ATWFDCWDTQYFTA-GFCCVEGCSA-N -1 3 403.416 2.155 20 30 HEEDHM C[C@@H](CC(=O)OCCOc1ccccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744150460 1077331774 /nfs/dbraw/zinc/33/17/74/1077331774.db2.gz BGYQRCMTIZUCSW-ZDUSSCGKSA-N -1 3 406.435 2.265 20 30 HEEDHM CO[C@]1(C)C[C@H](NC(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1(C)C ZINC000744724798 1077557070 /nfs/dbraw/zinc/55/70/70/1077557070.db2.gz MDQNUPZTPIYBHC-HZUJVAHNSA-N -1 3 421.563 2.460 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C(F)(F)F)C2)ccc1F ZINC000744730557 1077559107 /nfs/dbraw/zinc/55/91/07/1077559107.db2.gz YWJGUKQVIMGTTF-YGRLFVJLSA-N -1 3 410.389 2.082 20 30 HEEDHM Cc1ccc(C(=O)NCCC(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)c([O-])c1 ZINC000744920245 1077667449 /nfs/dbraw/zinc/66/74/49/1077667449.db2.gz BDCQNWTWQDWHOW-UHFFFAOYSA-N -1 3 406.398 2.486 20 30 HEEDHM [O-]c1c(Br)cc(Br)cc1/C=N/C[C@H]1CN2CCN1CC2 ZINC000746523366 1079671316 /nfs/dbraw/zinc/67/13/16/1079671316.db2.gz VPFMAEPZOPDPGS-SMWBLXLWSA-N -1 3 403.118 2.336 20 30 HEEDHM COc1ccc(C#N)cc1COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000772282167 1079810461 /nfs/dbraw/zinc/81/04/61/1079810461.db2.gz XJQJJWJMMFXMQF-ZDUSSCGKSA-N -1 3 413.455 2.127 20 30 HEEDHM CCOc1cc(Cl)ccc1CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000752366460 1079919027 /nfs/dbraw/zinc/91/90/27/1079919027.db2.gz YNHMLNQEZSRBQH-UHFFFAOYSA-N -1 3 407.879 2.094 20 30 HEEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC(F)F)n(C)n2)cc1 ZINC000767960495 1080252712 /nfs/dbraw/zinc/25/27/12/1080252712.db2.gz RSGDRTRCGYLZIU-GFCCVEGCSA-N -1 3 406.345 2.159 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CCCn1ccnc1 ZINC000768324466 1080485752 /nfs/dbraw/zinc/48/57/52/1080485752.db2.gz RLUIKYWOBPVHTD-KRWDZBQOSA-N -1 3 417.535 2.029 20 30 HEEDHM C[C@H](CC(=O)N[C@H]1CCOC2(CCCC2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768377958 1080533403 /nfs/dbraw/zinc/53/34/03/1080533403.db2.gz ZKRPUZKPNISMQK-CABCVRRESA-N -1 3 405.520 2.112 20 30 HEEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(Cc3noc(C)n3)nn2)cc1 ZINC000786315531 1080559276 /nfs/dbraw/zinc/55/92/76/1080559276.db2.gz ZUINIUZEBRLXDI-INIZCTEOSA-N -1 3 407.434 2.322 20 30 HEEDHM C[C@@H](CC(=O)Nc1nc2ccc(F)cc2n1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768547351 1080648626 /nfs/dbraw/zinc/64/86/26/1080648626.db2.gz JDINYKPNTMWOOR-NSHDSACASA-N -1 3 415.450 2.168 20 30 HEEDHM C#CCCN(CC(F)(F)F)C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000768618670 1080655076 /nfs/dbraw/zinc/65/50/76/1080655076.db2.gz SLHPTQSADBZYPV-LLVKDONJSA-N -1 3 411.833 2.206 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC1(CCOC)CC1 ZINC000769380818 1081058034 /nfs/dbraw/zinc/05/80/34/1081058034.db2.gz CFAKLXXQGOVBLA-MRXNPFEDSA-N -1 3 407.536 2.217 20 30 HEEDHM C[C@@H](CC(=O)OCc1ccc(C#N)cc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498535 1078514925 /nfs/dbraw/zinc/51/49/25/1078514925.db2.gz XQOXCZMIGCAKOU-LBPRGKRZSA-N -1 3 401.419 2.258 20 30 HEEDHM Cc1nc2ccccc2nc1COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498173 1078513254 /nfs/dbraw/zinc/51/32/54/1078513254.db2.gz YYKMPJMEMCFNOW-ZDUSSCGKSA-N -1 3 424.482 2.499 20 30 HEEDHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)cn1 ZINC000770005175 1078682654 /nfs/dbraw/zinc/68/26/54/1078682654.db2.gz UAFRUOVRQCLZRW-UHFFFAOYSA-N -1 3 409.811 2.017 20 30 HEEDHM C[C@@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000770099568 1078723025 /nfs/dbraw/zinc/72/30/25/1078723025.db2.gz MOJFNTJWKRNRLA-QMTHXVAHSA-N -1 3 415.899 2.046 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746058569 1078767206 /nfs/dbraw/zinc/76/72/06/1078767206.db2.gz LLVRGKNCVDADMY-UHFFFAOYSA-N -1 3 409.807 2.030 20 30 HEEDHM CSC=CC([O-])=C(C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000771578091 1079378328 /nfs/dbraw/zinc/37/83/28/1079378328.db2.gz JNDZXRGSXZTTLB-JXMNSVBMSA-N -1 3 407.517 2.385 20 30 HEEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000741163062 1076390681 /nfs/dbraw/zinc/39/06/81/1076390681.db2.gz NOQJWYVFFWTKTI-UHFFFAOYSA-N -1 3 407.517 2.070 20 30 HEEDHM CC1CCC(N(C[C@@H]2CCCO2)C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000741997021 1076711948 /nfs/dbraw/zinc/71/19/48/1076711948.db2.gz DHELTINARVEWJR-JCYILVPMSA-N -1 3 419.547 2.311 20 30 HEEDHM COc1cc(C)c(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC000742474946 1076842804 /nfs/dbraw/zinc/84/28/04/1076842804.db2.gz PPSMABACXCUXFR-CYBMUJFWSA-N -1 3 417.487 2.468 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccnn1Cc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742495604 1076845044 /nfs/dbraw/zinc/84/50/44/1076845044.db2.gz GFWCCWGGNDKLLX-HNNXBMFYSA-N -1 3 423.498 2.387 20 30 HEEDHM C[C@@H](CC(=O)Nc1cccc(Cn2cccn2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742530345 1076848075 /nfs/dbraw/zinc/84/80/75/1076848075.db2.gz XZEDPKADOIJEHL-HNNXBMFYSA-N -1 3 423.498 2.387 20 30 HEEDHM C[C@H](CC(=O)NCc1ccc(-n2cccn2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742539509 1076849924 /nfs/dbraw/zinc/84/99/24/1076849924.db2.gz YQBLBIALXMJQML-OAHLLOKOSA-N -1 3 423.498 2.006 20 30 HEEDHM CCN(CC)c1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742545806 1076850666 /nfs/dbraw/zinc/85/06/66/1076850666.db2.gz KDVNAWHLOXSNLT-CQSZACIVSA-N -1 3 415.519 2.384 20 30 HEEDHM COc1ccc(Cl)cc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742545556 1076850685 /nfs/dbraw/zinc/85/06/85/1076850685.db2.gz RFESXVLOSZLAIC-GFCCVEGCSA-N -1 3 421.906 2.482 20 30 HEEDHM COC(=O)Nc1cccc(NC(=O)C[C@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742557706 1076851606 /nfs/dbraw/zinc/85/16/06/1076851606.db2.gz WMMSWGYKPILICO-LBPRGKRZSA-N -1 3 416.459 2.321 20 30 HEEDHM C[C@H](CC(=O)Nc1nnc(C(C)(C)C)s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742569902 1076852311 /nfs/dbraw/zinc/85/23/11/1076852311.db2.gz MVZJRYQWAKIVJP-SNVBAGLBSA-N -1 3 407.521 2.291 20 30 HEEDHM CC(C)Cc1cc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n(C)n1 ZINC000742601263 1076855066 /nfs/dbraw/zinc/85/50/66/1076855066.db2.gz NORINJXYXUNFSH-ZDUSSCGKSA-N -1 3 403.508 2.074 20 30 HEEDHM C[C@H](CC(=O)N(CCC#N)Cc1ccco1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742603880 1076855511 /nfs/dbraw/zinc/85/55/11/1076855511.db2.gz OJNMIGVLHIOTKY-CQSZACIVSA-N -1 3 400.460 2.039 20 30 HEEDHM C[C@H](CC(=O)Nc1ncccc1OC(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742627845 1076859111 /nfs/dbraw/zinc/85/91/11/1076859111.db2.gz KDQYFMOUJFBOBM-SNVBAGLBSA-N -1 3 410.402 2.139 20 30 HEEDHM COC(=O)c1cc(C)ccc1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742638369 1076860121 /nfs/dbraw/zinc/86/01/21/1076860121.db2.gz CDBOFRXDLBODQH-ZDUSSCGKSA-N -1 3 415.471 2.237 20 30 HEEDHM Cc1csc(C2(NC(=O)C[C@H](C)/N=C3/[N-]S(=O)(=O)c4ccccc43)CCC2)n1 ZINC000742679993 1076864538 /nfs/dbraw/zinc/86/45/38/1076864538.db2.gz JBJDLAQARBJHPK-LBPRGKRZSA-N -1 3 418.544 2.464 20 30 HEEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000743449083 1077051230 /nfs/dbraw/zinc/05/12/30/1077051230.db2.gz MPGNQNNHBQPXEF-NRFANRHFSA-N -1 3 401.532 2.425 20 30 HEEDHM C[C@H](CC(=O)OCc1cccc2c1OCCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744071620 1077312689 /nfs/dbraw/zinc/31/26/89/1077312689.db2.gz MCCCHCMMGPXPDZ-CYBMUJFWSA-N -1 3 416.455 2.018 20 30 HEEDHM C[C@@H](CC(=O)OCc1cc(F)ccc1[N+](=O)[O-])/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744074793 1077313147 /nfs/dbraw/zinc/31/31/47/1077313147.db2.gz QHTCSEZHNARQMO-NSHDSACASA-N -1 3 421.406 2.294 20 30 HEEDHM C[C@@H](CC(=O)OCc1cccc([N+](=O)[O-])c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744077946 1077313575 /nfs/dbraw/zinc/31/35/75/1077313575.db2.gz ATWFDCWDTQYFTA-LBPRGKRZSA-N -1 3 403.416 2.155 20 30 HEEDHM Cc1cccc(CCCOC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000744104265 1077317523 /nfs/dbraw/zinc/31/75/23/1077317523.db2.gz YTPHEKSHXIQNFF-OAHLLOKOSA-N -1 3 401.488 2.383 20 30 HEEDHM Cc1cccc(CCCOC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000744104264 1077317609 /nfs/dbraw/zinc/31/76/09/1077317609.db2.gz YTPHEKSHXIQNFF-HNNXBMFYSA-N -1 3 401.488 2.383 20 30 HEEDHM C[C@@H](CC(=O)OCc1cnc2ccccc2n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744091742 1077320749 /nfs/dbraw/zinc/32/07/49/1077320749.db2.gz RSCPZYBOIIAEST-ZDUSSCGKSA-N -1 3 410.455 2.190 20 30 HEEDHM C[C@H](CC(=O)OC[C@@H]1Cc2cc(F)ccc2O1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744174210 1077335659 /nfs/dbraw/zinc/33/56/59/1077335659.db2.gz LGGZXYXSCHKRQK-DOMZBBRYSA-N -1 3 418.446 2.190 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)c1ccc(OC)nc1 ZINC000746517889 1079578250 /nfs/dbraw/zinc/57/82/50/1079578250.db2.gz XZPSRZAOPPGSMS-MRXNPFEDSA-N -1 3 416.503 2.351 20 30 HEEDHM COCC[C@@H]1CCCCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000767299906 1079799759 /nfs/dbraw/zinc/79/97/59/1079799759.db2.gz YWYKNOAEIFYVAG-HOTGVXAUSA-N -1 3 407.536 2.169 20 30 HEEDHM C[C@@H](CC(=O)Nc1nc2c(s1)CSCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000804358990 1080012332 /nfs/dbraw/zinc/01/23/32/1080012332.db2.gz ZDNYTYAZSLGENM-JTQLQIEISA-N -1 3 422.557 2.388 20 30 HEEDHM COc1cc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000746491197 1080087420 /nfs/dbraw/zinc/08/74/20/1080087420.db2.gz BKYIEPSUKCFJGX-UHFFFAOYSA-N -1 3 409.420 2.074 20 30 HEEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000746491406 1080091309 /nfs/dbraw/zinc/09/13/09/1080091309.db2.gz CQPYWXKTHFLQKL-UHFFFAOYSA-N -1 3 411.823 2.473 20 30 HEEDHM Cc1nc(Cn2cc(C([O-])=C(C#N)C(=O)Nc3cccc4ccccc43)nn2)no1 ZINC000786308163 1080556060 /nfs/dbraw/zinc/55/60/60/1080556060.db2.gz PLKODQKLUGJUCH-OAHLLOKOSA-N -1 3 401.386 2.132 20 30 HEEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(Cc3noc(C)n3)nn2)cc1 ZINC000786312702 1080557711 /nfs/dbraw/zinc/55/77/11/1080557711.db2.gz GWDYFHBGWAAFMV-MLGOLLRUSA-N -1 3 407.434 2.493 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2nnc(C3CC3)n2C2CC2)ccc1F ZINC000768447675 1080566461 /nfs/dbraw/zinc/56/64/61/1080566461.db2.gz ISUOVMHDXYBPKQ-UHFFFAOYSA-N -1 3 419.482 2.024 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000769271992 1081024936 /nfs/dbraw/zinc/02/49/36/1081024936.db2.gz PSWHZPGBDJQOFG-NVXWUHKLSA-N -1 3 417.531 2.256 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000769336430 1081061246 /nfs/dbraw/zinc/06/12/46/1081061246.db2.gz MGFOMRHMMIUNKY-RDJZCZTQSA-N -1 3 419.547 2.358 20 30 HEEDHM C[C@H](CC(=O)O[C@H](C)c1nc(C2CC2)no1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495177 1078508553 /nfs/dbraw/zinc/50/85/53/1078508553.db2.gz DEMSOWZRRJLEHR-GHMZBOCLSA-N -1 3 404.448 2.069 20 30 HEEDHM C[C@H](CC(=O)O[C@H](C)C(=O)c1ccc(F)cc1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745494840 1078509140 /nfs/dbraw/zinc/50/91/40/1078509140.db2.gz CAUJELDXBAGGLX-CHWSQXEVSA-N -1 3 418.446 2.457 20 30 HEEDHM C[C@@H](CC(=O)OCC(=O)c1cccc(F)c1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745496725 1078512085 /nfs/dbraw/zinc/51/20/85/1078512085.db2.gz ORCWFVKDHCEKGK-LBPRGKRZSA-N -1 3 404.419 2.069 20 30 HEEDHM CCc1ccc(C(=O)COC(=O)C[C@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000745497776 1078513740 /nfs/dbraw/zinc/51/37/40/1078513740.db2.gz RVCJKZGZPCLSKT-AWEZNQCLSA-N -1 3 414.483 2.492 20 30 HEEDHM CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000769709634 1078531000 /nfs/dbraw/zinc/53/10/00/1078531000.db2.gz PBZHJYYUGOPKAF-DYTRJAOYSA-N -1 3 417.443 2.186 20 30 HEEDHM CN1CCC(C#N)(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CC1 ZINC000769774719 1078551004 /nfs/dbraw/zinc/55/10/04/1078551004.db2.gz DYNBKILVJOGQGN-UHFFFAOYSA-N -1 3 400.357 2.221 20 30 HEEDHM C[C@H](CC(=O)N(C)Cc1cccc(N(C)C)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000770233745 1078778298 /nfs/dbraw/zinc/77/82/98/1078778298.db2.gz KBWSWTDCHHFFBR-OAHLLOKOSA-N -1 3 414.531 2.228 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(N(C)CC(F)F)CC2)ccc1F ZINC000746324794 1078859419 /nfs/dbraw/zinc/85/94/19/1078859419.db2.gz ROBSKPLWXGVVCC-UHFFFAOYSA-N -1 3 419.469 2.092 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCc1cccc(O)c1 ZINC000746339941 1078865572 /nfs/dbraw/zinc/86/55/72/1078865572.db2.gz RXIJFSGSGZRLQP-SFHVURJKSA-N -1 3 415.515 2.348 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(c3ccc4c(c3)OCO4)CC2)ccc1F ZINC000770692502 1078960287 /nfs/dbraw/zinc/96/02/87/1078960287.db2.gz JLUWLINRYHRTAU-UHFFFAOYSA-N -1 3 418.446 2.438 20 30 HEEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cnn1C(C)C ZINC000771261260 1079252459 /nfs/dbraw/zinc/25/24/59/1079252459.db2.gz MHKLBXIOWIKMPC-LBPRGKRZSA-N -1 3 413.390 2.413 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)c1ccsc1 ZINC000771596828 1079390777 /nfs/dbraw/zinc/39/07/77/1079390777.db2.gz OEIFAHYYUBTDMI-JKSUJKDBSA-N -1 3 421.544 2.195 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)c1ccsc1 ZINC000771596827 1079390936 /nfs/dbraw/zinc/39/09/36/1079390936.db2.gz OEIFAHYYUBTDMI-HOTGVXAUSA-N -1 3 421.544 2.195 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCc1cnc(-c2cccs2)o1 ZINC000739257102 1076051748 /nfs/dbraw/zinc/05/17/48/1076051748.db2.gz WSMGCNUELKGXBK-UHFFFAOYSA-N -1 3 403.441 2.185 20 30 HEEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(=O)n(Cc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000741205121 1076418287 /nfs/dbraw/zinc/41/82/87/1076418287.db2.gz UJNXMQJNEZAXIW-UHFFFAOYSA-N -1 3 410.411 2.477 20 30 HEEDHM Cc1ccc(Oc2ccc(NC(=O)C/N=C3/[N-]S(=O)(=O)c4ccccc43)cc2)nn1 ZINC000741610282 1076565321 /nfs/dbraw/zinc/56/53/21/1076565321.db2.gz YQGXJSWBKPIXOJ-UHFFFAOYSA-N -1 3 423.454 2.255 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCOC)c2ccc(C#N)cc2)ccc1F ZINC000741956609 1076694392 /nfs/dbraw/zinc/69/43/92/1076694392.db2.gz CRSOWSRKYYXBJA-UHFFFAOYSA-N -1 3 417.462 2.455 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1ncc(C)s1 ZINC000742119664 1076748442 /nfs/dbraw/zinc/74/84/42/1076748442.db2.gz HZXPBGJBSNVVTN-CQSZACIVSA-N -1 3 406.533 2.365 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(CC)CC1 ZINC000742131622 1076749944 /nfs/dbraw/zinc/74/99/44/1076749944.db2.gz YKAYKKBXHOALEP-MRXNPFEDSA-N -1 3 407.536 2.047 20 30 HEEDHM Cc1cc(Br)c(S(=O)(=O)[N-]CCNc2ncccc2C#N)s1 ZINC000742281323 1076815184 /nfs/dbraw/zinc/81/51/84/1076815184.db2.gz CYZYLJQKKXFBTD-UHFFFAOYSA-N -1 3 401.311 2.476 20 30 HEEDHM COc1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c(OC)c1 ZINC000742469363 1076842465 /nfs/dbraw/zinc/84/24/65/1076842465.db2.gz XULIKZPSVWWGCW-GFCCVEGCSA-N -1 3 403.460 2.160 20 30 HEEDHM Cc1c(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000742469035 1076842506 /nfs/dbraw/zinc/84/25/06/1076842506.db2.gz MECQEYIDCPXIJT-NSHDSACASA-N -1 3 402.432 2.359 20 30 HEEDHM CC(=O)Nc1cccc(OC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742492539 1076844676 /nfs/dbraw/zinc/84/46/76/1076844676.db2.gz IXKGBWZAQIAJSU-LBPRGKRZSA-N -1 3 401.444 2.068 20 30 HEEDHM Cc1ccccc1OCCN(C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742497733 1076845192 /nfs/dbraw/zinc/84/51/92/1076845192.db2.gz CPNGOFQDGUZMTD-INIZCTEOSA-N -1 3 415.515 2.350 20 30 HEEDHM COCCOc1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742537250 1076848756 /nfs/dbraw/zinc/84/87/56/1076848756.db2.gz JIBZFSBBXMEKNH-CQSZACIVSA-N -1 3 417.487 2.168 20 30 HEEDHM C[C@H](CC(=O)N[C@@H](C#N)c1ccc(F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742512294 1076848760 /nfs/dbraw/zinc/84/87/60/1076848760.db2.gz VXVKXHXNLGJDGC-WBMJQRKESA-N -1 3 400.435 2.024 20 30 HEEDHM C[C@H](CC(=O)Nc1cnn(Cc2ccccc2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742563532 1076849559 /nfs/dbraw/zinc/84/95/59/1076849559.db2.gz IGBWBZGAQKJQBL-OAHLLOKOSA-N -1 3 423.498 2.387 20 30 HEEDHM C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742542409 1076850273 /nfs/dbraw/zinc/85/02/73/1076850273.db2.gz RQOFCHQRWYDPHF-HZPDHXFCSA-N -1 3 414.531 2.145 20 30 HEEDHM CC(C)Oc1ncccc1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742546075 1076850681 /nfs/dbraw/zinc/85/06/81/1076850681.db2.gz KLRQLKHUAJPUPK-ZDUSSCGKSA-N -1 3 402.476 2.325 20 30 HEEDHM C[C@H](CC(=O)NCC1(c2ccc(F)cc2)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742548513 1076851119 /nfs/dbraw/zinc/85/11/19/1076851119.db2.gz FNDOHESPDMWILN-CQSZACIVSA-N -1 3 415.490 2.491 20 30 HEEDHM C[C@H](CC(=O)Nc1ccn(Cc2ccccc2)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742553772 1076851334 /nfs/dbraw/zinc/85/13/34/1076851334.db2.gz GYESQFOJFUTXLY-OAHLLOKOSA-N -1 3 423.498 2.387 20 30 HEEDHM COc1ccc2c(c1)CN(C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c3ccccc31)CC2 ZINC000742583554 1076853446 /nfs/dbraw/zinc/85/34/46/1076853446.db2.gz SBFSSMDWDJOCOU-CQSZACIVSA-N -1 3 413.499 2.097 20 30 HEEDHM C#CCN(Cc1ccc(F)cc1)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742592536 1076854385 /nfs/dbraw/zinc/85/43/85/1076854385.db2.gz QQEBMGQPFZZLRK-OAHLLOKOSA-N -1 3 413.474 2.305 20 30 HEEDHM C[C@@H](CC(=O)NCc1cc(-c2ccccc2)on1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742611538 1076856322 /nfs/dbraw/zinc/85/63/22/1076856322.db2.gz AQJNGPVTAQWSHB-AWEZNQCLSA-N -1 3 424.482 2.475 20 30 HEEDHM CCCO[C@@H]1CCCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742650239 1076858183 /nfs/dbraw/zinc/85/81/83/1076858183.db2.gz ZPRLVNAOEZOFMM-JKSUJKDBSA-N -1 3 407.536 2.311 20 30 HEEDHM CCOc1ccccc1CCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742625800 1076858681 /nfs/dbraw/zinc/85/86/81/1076858681.db2.gz UXPKOSPBMGTCGN-OAHLLOKOSA-N -1 3 415.515 2.261 20 30 HEEDHM C[C@@H](CC(=O)NC1(c2ccc(F)cc2)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742639163 1076860277 /nfs/dbraw/zinc/86/02/77/1076860277.db2.gz UZQMDTISUIASAZ-ZDUSSCGKSA-N -1 3 401.463 2.448 20 30 HEEDHM C[C@@H](CC(=O)NCCCSc1nccs1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742668876 1076862763 /nfs/dbraw/zinc/86/27/63/1076862763.db2.gz CTUNSLXZQCBQBM-LBPRGKRZSA-N -1 3 424.573 2.259 20 30 HEEDHM C[C@H](CC(=O)NC[C@H](C)Oc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742677003 1076864023 /nfs/dbraw/zinc/86/40/23/1076864023.db2.gz HAOYWXUPSAPVPI-CABCVRRESA-N -1 3 401.488 2.087 20 30 HEEDHM COc1cc(CCNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1C ZINC000742696870 1076868197 /nfs/dbraw/zinc/86/81/97/1076868197.db2.gz DDCBLHPEXJPJFT-HNNXBMFYSA-N -1 3 415.515 2.180 20 30 HEEDHM C[C@H](CC(=O)NC[C@H](C)Oc1ccc(F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742731320 1076871065 /nfs/dbraw/zinc/87/10/65/1076871065.db2.gz VQXWAEZSASLRFY-KGLIPLIRSA-N -1 3 419.478 2.227 20 30 HEEDHM C[C@H](CC(=O)N1CCC(C(F)(F)F)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742858335 1076889390 /nfs/dbraw/zinc/88/93/90/1076889390.db2.gz PMTZZMJTJMTQBX-LLVKDONJSA-N -1 3 403.426 2.305 20 30 HEEDHM C[C@H](CC(=O)Nc1nc2c(s1)C(=O)CCC2)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000743331458 1077029565 /nfs/dbraw/zinc/02/95/65/1077029565.db2.gz XQAGDSFZVCFNCW-SNVBAGLBSA-N -1 3 418.500 2.118 20 30 HEEDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744036118 1077310704 /nfs/dbraw/zinc/31/07/04/1077310704.db2.gz VVMQCKDEYZHRCO-GFCCVEGCSA-N -1 3 403.416 2.326 20 30 HEEDHM COc1ccc(OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000744036095 1077310725 /nfs/dbraw/zinc/31/07/25/1077310725.db2.gz XPIHQUCRLLWKTA-LLVKDONJSA-N -1 3 419.415 2.026 20 30 HEEDHM CC(=O)Nc1cccc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744087906 1077316291 /nfs/dbraw/zinc/31/62/91/1077316291.db2.gz GIPHWABHCADUMC-CYBMUJFWSA-N -1 3 415.471 2.206 20 30 HEEDHM COc1ccc(COC(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000744317566 1077363021 /nfs/dbraw/zinc/36/30/21/1077363021.db2.gz ZJFPOXUQYCJWPN-MRXNPFEDSA-N -1 3 417.487 2.287 20 30 HEEDHM CCc1cnc(COC(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)o1 ZINC000744460516 1077393430 /nfs/dbraw/zinc/39/34/30/1077393430.db2.gz UTYLAZXKJNXERJ-HNNXBMFYSA-N -1 3 405.476 2.434 20 30 HEEDHM Cc1nnc([C@H](C)OC(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)o1 ZINC000744478954 1077410186 /nfs/dbraw/zinc/41/01/86/1077410186.db2.gz YNCHLNKXPYTWCD-FZMZJTMJSA-N -1 3 406.464 2.136 20 30 HEEDHM C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)NC1(C#N)CCCCC1 ZINC000744725416 1077557028 /nfs/dbraw/zinc/55/70/28/1077557028.db2.gz OVIKTKBZWGXBFX-DOTOQJQBSA-N -1 3 413.474 2.271 20 30 HEEDHM COc1cc(C=NN2CC(=O)[N-]C2=O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000744810187 1077584225 /nfs/dbraw/zinc/58/42/25/1077584225.db2.gz MYQGCAGFVCHHFC-UHFFFAOYSA-N -1 3 416.821 2.252 20 30 HEEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccc(C#N)c(OC)c2)cc1F ZINC000767596733 1079995622 /nfs/dbraw/zinc/99/56/22/1079995622.db2.gz KYWKTVUOVHGPEW-UHFFFAOYSA-N -1 3 414.436 2.235 20 30 HEEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)OCc2cccc(C#N)c2)CCCC1 ZINC000786305072 1080546226 /nfs/dbraw/zinc/54/62/26/1080546226.db2.gz ZHKCUBOKHQZLJR-UHFFFAOYSA-N -1 3 403.460 2.498 20 30 HEEDHM COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000786367589 1080572870 /nfs/dbraw/zinc/57/28/70/1080572870.db2.gz OJBQFYZNWMODPK-MRXNPFEDSA-N -1 3 421.906 2.225 20 30 HEEDHM C[C@H](CC(=O)N1CCC(c2cccnc2)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768513647 1080599876 /nfs/dbraw/zinc/59/98/76/1080599876.db2.gz BXJKKOCTHCHULU-OAHLLOKOSA-N -1 3 412.515 2.305 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCc1cccc(O)c1 ZINC000769464979 1081088725 /nfs/dbraw/zinc/08/87/25/1081088725.db2.gz HUHFYGFNVRTKSX-GOSISDBHSA-N -1 3 415.515 2.204 20 30 HEEDHM C[C@@H](CC(=O)NCCc1ccc(F)c(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000787329816 1081106641 /nfs/dbraw/zinc/10/66/41/1081106641.db2.gz LTADWCSNHZEYFM-LBPRGKRZSA-N -1 3 407.442 2.141 20 30 HEEDHM Cc1nc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)nc2ccccc12 ZINC000745496836 1078512170 /nfs/dbraw/zinc/51/21/70/1078512170.db2.gz PPBFJZCSIHOWDH-CYBMUJFWSA-N -1 3 424.482 2.499 20 30 HEEDHM COC(=O)c1ccc([C@H](C)OC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)o1 ZINC000745497099 1078512208 /nfs/dbraw/zinc/51/22/08/1078512208.db2.gz RGUGHQMMAKIHRN-RYUDHWBXSA-N -1 3 420.443 2.188 20 30 HEEDHM C=CCSc1ccccc1NC(=O)COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770107443 1078717908 /nfs/dbraw/zinc/71/79/08/1078717908.db2.gz JZFZZVCMBDMDJS-MRXNPFEDSA-N -1 3 414.549 2.410 20 30 HEEDHM Cc1ccc(SC[C@H](C)NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000770099524 1078723099 /nfs/dbraw/zinc/72/30/99/1078723099.db2.gz DQAHCXOAJAHVDO-AWEZNQCLSA-N -1 3 403.529 2.331 20 30 HEEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)nc1I ZINC000770362732 1078830836 /nfs/dbraw/zinc/83/08/36/1078830836.db2.gz WKGIRHUUAGHMKF-SECBINFHSA-N -1 3 422.182 2.051 20 30 HEEDHM C#CC[C@@H](CCOC)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001169292804 1079222512 /nfs/dbraw/zinc/22/25/12/1079222512.db2.gz QDKUNXBBCMOGBS-LBPRGKRZSA-N -1 3 407.319 2.206 20 30 HEEDHM C[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ncc(-c2ccccc2)o1 ZINC000739777128 1076082063 /nfs/dbraw/zinc/08/20/63/1076082063.db2.gz GKHSJENYBSJVJB-CYBMUJFWSA-N -1 3 410.455 2.258 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@](C)(O)[C@@H](C)CC ZINC000740747645 1076233521 /nfs/dbraw/zinc/23/35/21/1076233521.db2.gz MJBUZFBYFFQJBR-UVFQYZLESA-N -1 3 409.552 2.197 20 30 HEEDHM CCCN(C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000740806206 1076252638 /nfs/dbraw/zinc/25/26/38/1076252638.db2.gz NEGSGNOZOVCEIF-IAGOWNOFSA-N -1 3 407.536 2.167 20 30 HEEDHM CCc1noc([C@H](C)OC(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000741832827 1076650623 /nfs/dbraw/zinc/65/06/23/1076650623.db2.gz ZVRIHJADKZIDTQ-GXTWGEPZSA-N -1 3 420.491 2.390 20 30 HEEDHM C[C@@H](CC(=O)NCCc1c[nH]c2ccccc12)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742469554 1076842490 /nfs/dbraw/zinc/84/24/90/1076842490.db2.gz CAQJGQKEDYSWEV-AWEZNQCLSA-N -1 3 410.499 2.344 20 30 HEEDHM C[C@H](CC(=O)N[C@H](C)c1ccc2c(c1)OCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742508093 1076846125 /nfs/dbraw/zinc/84/61/25/1076846125.db2.gz LFRZJSFOSIOUOO-CHWSQXEVSA-N -1 3 415.471 2.110 20 30 HEEDHM C[C@@H](CC(=O)NCCSc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742487381 1076846906 /nfs/dbraw/zinc/84/69/06/1076846906.db2.gz FOHYTVZFDZQTQG-AWEZNQCLSA-N -1 3 403.529 2.412 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccccc1-n1cccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742537450 1076848714 /nfs/dbraw/zinc/84/87/14/1076848714.db2.gz ZDYJVPMBVLMRAU-AWEZNQCLSA-N -1 3 409.471 2.328 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccc(-c2nnco2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742544034 1076850263 /nfs/dbraw/zinc/85/02/63/1076850263.db2.gz NBLWAZXXLXGHFZ-LBPRGKRZSA-N -1 3 411.443 2.192 20 30 HEEDHM C[C@H](CC(=O)N[C@@H]1CCc2cc(F)ccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742577281 1076852979 /nfs/dbraw/zinc/85/29/79/1076852979.db2.gz ANFOACUTUQPZDI-SJKOYZFVSA-N -1 3 401.463 2.447 20 30 HEEDHM C[C@H](CC(=O)NCc1ccc(-n2ccnc2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742590693 1076853842 /nfs/dbraw/zinc/85/38/42/1076853842.db2.gz SWRWTUFNOAIXCJ-OAHLLOKOSA-N -1 3 423.498 2.006 20 30 HEEDHM Cc1ccccc1OCCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742567152 1076854114 /nfs/dbraw/zinc/85/41/14/1076854114.db2.gz MSBPSSOTQLBONR-OAHLLOKOSA-N -1 3 401.488 2.007 20 30 HEEDHM Cc1csc(CCCCNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000742621759 1076854377 /nfs/dbraw/zinc/85/43/77/1076854377.db2.gz VAMVEGKJQKIJNY-ZDUSSCGKSA-N -1 3 420.560 2.408 20 30 HEEDHM C[C@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742597166 1076854674 /nfs/dbraw/zinc/85/46/74/1076854674.db2.gz OZTPXQHQCABHBE-CYBMUJFWSA-N -1 3 418.494 2.025 20 30 HEEDHM Cc1ccc(OCCCNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742610817 1076856128 /nfs/dbraw/zinc/85/61/28/1076856128.db2.gz PUKVEJMZHHLEBL-MRXNPFEDSA-N -1 3 415.515 2.397 20 30 HEEDHM COc1ccccc1CCN(C)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742637606 1076860136 /nfs/dbraw/zinc/86/01/36/1076860136.db2.gz GRQSHGBMIZTGKW-HNNXBMFYSA-N -1 3 415.515 2.213 20 30 HEEDHM CCc1nc([C@H](C)NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cs1 ZINC000742661797 1076861602 /nfs/dbraw/zinc/86/16/02/1076861602.db2.gz FLOYUGAGHWJTBU-RYUDHWBXSA-N -1 3 406.533 2.400 20 30 HEEDHM CCO[C@@H]1C[C@H](N(C)C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1(C)C ZINC000742697143 1076867806 /nfs/dbraw/zinc/86/78/06/1076867806.db2.gz IHZQNCCAFHZGMV-RRQGHBQHSA-N -1 3 407.536 2.166 20 30 HEEDHM CCc1cnc(CNC(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000742805953 1076884865 /nfs/dbraw/zinc/88/48/65/1076884865.db2.gz RSPPEOJZOIKCQI-OAHLLOKOSA-N -1 3 420.560 2.475 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CC[C@H](CSc2ccccc2)C1 ZINC000742851356 1076889073 /nfs/dbraw/zinc/88/90/73/1076889073.db2.gz ZWCNQDVQQMVZGD-HNNXBMFYSA-N -1 3 415.540 2.366 20 30 HEEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000743449084 1077051254 /nfs/dbraw/zinc/05/12/54/1077051254.db2.gz MPGNQNNHBQPXEF-OAQYLSRUSA-N -1 3 401.532 2.425 20 30 HEEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000743448154 1077051298 /nfs/dbraw/zinc/05/12/98/1077051298.db2.gz ANZFIYCVGJEWPA-UHFFFAOYSA-N -1 3 421.544 2.113 20 30 HEEDHM O=C1Nc2cc(Br)ccc2C1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448429 1077051480 /nfs/dbraw/zinc/05/14/80/1077051480.db2.gz ORJHVVVWZUOVGE-UHFFFAOYSA-N -1 3 408.277 2.267 20 30 HEEDHM CC[C@H](C)[C@](C)(O)CNC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743757553 1077101393 /nfs/dbraw/zinc/10/13/93/1077101393.db2.gz RWYSRUSQWCRJRS-DKICVRJWSA-N -1 3 409.552 2.053 20 30 HEEDHM COc1cccc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1OC ZINC000744046491 1077307448 /nfs/dbraw/zinc/30/74/48/1077307448.db2.gz CNWVRKRNMUAMNT-CYBMUJFWSA-N -1 3 418.471 2.264 20 30 HEEDHM C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)Nc1cccc(C#N)c1 ZINC000744725949 1077557488 /nfs/dbraw/zinc/55/74/88/1077557488.db2.gz QOQFYQNJHFGCDT-KBXCAEBGSA-N -1 3 407.426 2.439 20 30 HEEDHM C[C@H](CC(=O)N(C)[C@H](C)Cc1ccc(O)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000772473986 1079894127 /nfs/dbraw/zinc/89/41/27/1079894127.db2.gz ILSXYRQSEBYUTR-HUUCEWRRSA-N -1 3 415.515 2.299 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)ccc1F ZINC000804370962 1079905626 /nfs/dbraw/zinc/90/56/26/1079905626.db2.gz YUVPZNRXUFWRLG-QMTHXVAHSA-N -1 3 410.389 2.082 20 30 HEEDHM N#CC(C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2)=C([O-])C=C1CCSCC1 ZINC000772642434 1079981329 /nfs/dbraw/zinc/98/13/29/1079981329.db2.gz WJLPPTKBNPOSOB-GFCCVEGCSA-N -1 3 403.416 2.467 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CC1CCOCC1 ZINC000767927638 1080219362 /nfs/dbraw/zinc/21/93/62/1080219362.db2.gz RUNWYNADXRETRS-QGZVFWFLSA-N -1 3 407.536 2.169 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)N(C)CCO3)ccc1F ZINC000746574816 1080527999 /nfs/dbraw/zinc/52/79/99/1080527999.db2.gz UMBHAFIIVQEZLN-UHFFFAOYSA-N -1 3 405.451 2.371 20 30 HEEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(Cc3noc(C)n3)nn2)cc1 ZINC000786312700 1080557658 /nfs/dbraw/zinc/55/76/58/1080557658.db2.gz GWDYFHBGWAAFMV-LRDDRELGSA-N -1 3 407.434 2.493 20 30 HEEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1nnn(Cc2noc(C)n2)c1C ZINC000786313240 1080558462 /nfs/dbraw/zinc/55/84/62/1080558462.db2.gz QAFRIYHIQLQDGK-INIZCTEOSA-N -1 3 421.461 2.412 20 30 HEEDHM C[C@H](CC(=O)NCc1ccc2c(n1)CCCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000769027288 1080889822 /nfs/dbraw/zinc/88/98/22/1080889822.db2.gz GBYYKOJWJGFDFV-CQSZACIVSA-N -1 3 412.515 2.094 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(OC)c(O)c2)ccc1F ZINC000769289809 1081046708 /nfs/dbraw/zinc/04/67/08/1081046708.db2.gz ADEVWIMDAYFLSA-UHFFFAOYSA-N -1 3 408.451 2.276 20 30 HEEDHM COc1c(C)cnc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000745494825 1078508982 /nfs/dbraw/zinc/50/89/82/1078508982.db2.gz BPNINVTTYQPLAQ-ZDUSSCGKSA-N -1 3 417.487 2.268 20 30 HEEDHM N#C[C@]1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCc2ccccc2C1 ZINC000770112725 1078733905 /nfs/dbraw/zinc/73/39/05/1078733905.db2.gz SVYQWIJIFPQATI-NRFANRHFSA-N -1 3 413.474 2.447 20 30 HEEDHM CS(=O)(=O)c1cc(S(=O)(=O)[N-]CCOc2ccc(C#N)cc2)c(Cl)s1 ZINC000770689185 1078957870 /nfs/dbraw/zinc/95/78/70/1078957870.db2.gz OTAHSYMQZNXSJO-UHFFFAOYSA-N -1 3 420.921 2.034 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCc1cccc(-c2cccnc2)c1 ZINC000766659126 1079231082 /nfs/dbraw/zinc/23/10/82/1079231082.db2.gz PSIPSJOARUNVSU-UHFFFAOYSA-N -1 3 406.467 2.104 20 30 HEEDHM N#CCn1cc(NC(=O)c2c[n-]c3ccc(I)cc3c2=O)cn1 ZINC000771649323 1079422511 /nfs/dbraw/zinc/42/25/11/1079422511.db2.gz URDKYDAEJCEMLN-UHFFFAOYSA-N -1 3 419.182 2.105 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1cc(CC)no1 ZINC000741216171 1076407934 /nfs/dbraw/zinc/40/79/34/1076407934.db2.gz BRMKLRLMLNQTMR-INIZCTEOSA-N -1 3 404.492 2.151 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)O)ccc1F ZINC000742183690 1076774137 /nfs/dbraw/zinc/77/41/37/1076774137.db2.gz SFZUTMAJDAZAFI-OAHLLOKOSA-N -1 3 406.479 2.313 20 30 HEEDHM COc1ccc(CN(C)C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742477364 1076843066 /nfs/dbraw/zinc/84/30/66/1076843066.db2.gz OUAGIPOAYNUDPA-CQSZACIVSA-N -1 3 401.488 2.171 20 30 HEEDHM CC(=O)Nc1ccc(OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742493284 1076844689 /nfs/dbraw/zinc/84/46/89/1076844689.db2.gz MRZKUKRVAVDWSM-GFCCVEGCSA-N -1 3 401.444 2.068 20 30 HEEDHM C[C@H](CC(=O)NCCSc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742487382 1076846889 /nfs/dbraw/zinc/84/68/89/1076846889.db2.gz FOHYTVZFDZQTQG-CQSZACIVSA-N -1 3 403.529 2.412 20 30 HEEDHM CO[C@H](CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC000742518253 1076846957 /nfs/dbraw/zinc/84/69/57/1076846957.db2.gz YQIZUOKFPVWHRU-WMLDXEAASA-N -1 3 401.488 2.008 20 30 HEEDHM C[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742517821 1076847075 /nfs/dbraw/zinc/84/70/75/1076847075.db2.gz RYLCUBCYNFFZCQ-GFCCVEGCSA-N -1 3 414.443 2.001 20 30 HEEDHM Cc1cc([C@@H]2CCCN2C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)no1 ZINC000742518952 1076847102 /nfs/dbraw/zinc/84/71/02/1076847102.db2.gz MCZJGEVRLOYPNE-LRDDRELGSA-N -1 3 402.476 2.164 20 30 HEEDHM C[C@@H](CC(=O)Nc1cnn(Cc2ccccc2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742563530 1076849505 /nfs/dbraw/zinc/84/95/05/1076849505.db2.gz IGBWBZGAQKJQBL-HNNXBMFYSA-N -1 3 423.498 2.387 20 30 HEEDHM C[C@H](CC(=O)NCCO[C@@H]1CCCC[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742544724 1076850585 /nfs/dbraw/zinc/85/05/85/1076850585.db2.gz RWGGYIUWPRGGHP-BFYDXBDKSA-N -1 3 407.536 2.215 20 30 HEEDHM C[C@H](CC(=O)N[C@H](C)COc1cccc(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742570546 1076852497 /nfs/dbraw/zinc/85/24/97/1076852497.db2.gz SBFMHYGOVGLSHH-ZIAGYGMSSA-N -1 3 419.478 2.227 20 30 HEEDHM CCOc1ccc(C#N)cc1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742581918 1076853305 /nfs/dbraw/zinc/85/33/05/1076853305.db2.gz XDSCIXJOSKQITH-ZDUSSCGKSA-N -1 3 412.471 2.413 20 30 HEEDHM CCCN(C[C@@H]1CCCCO1)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742645945 1076857465 /nfs/dbraw/zinc/85/74/65/1076857465.db2.gz ABVQRVCOANRYMU-HOTGVXAUSA-N -1 3 407.536 2.311 20 30 HEEDHM COc1ccc(CN(C)C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1C ZINC000742630093 1076859064 /nfs/dbraw/zinc/85/90/64/1076859064.db2.gz AYJLSQMKLZSLMK-HNNXBMFYSA-N -1 3 415.515 2.479 20 30 HEEDHM COc1ccc(C2(NC(=O)C[C@H](C)/N=C3/[N-]S(=O)(=O)c4ccccc43)CC2)cc1 ZINC000742655855 1076865290 /nfs/dbraw/zinc/86/52/90/1076865290.db2.gz FDPAGWDZZCRHIE-AWEZNQCLSA-N -1 3 413.499 2.318 20 30 HEEDHM C[C@H](CC(=O)NC[C@H]1CCc2ccccc2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742683248 1076866313 /nfs/dbraw/zinc/86/63/13/1076866313.db2.gz HVHDONXMFHTYOA-CVEARBPZSA-N -1 3 411.527 2.425 20 30 HEEDHM C[C@@H](CC(=O)NC1(c2ccccc2F)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742689660 1076867107 /nfs/dbraw/zinc/86/71/07/1076867107.db2.gz MZPNTFOGWWTCAS-ZDUSSCGKSA-N -1 3 401.463 2.448 20 30 HEEDHM CCO[C@@H]1C[C@H](N(C)C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1(C)C ZINC000742697144 1076867795 /nfs/dbraw/zinc/86/77/95/1076867795.db2.gz IHZQNCCAFHZGMV-XOKHGSTOSA-N -1 3 407.536 2.166 20 30 HEEDHM CCc1cnc(CNC(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000742805952 1076884838 /nfs/dbraw/zinc/88/48/38/1076884838.db2.gz RSPPEOJZOIKCQI-HNNXBMFYSA-N -1 3 420.560 2.475 20 30 HEEDHM CC[C@@H]1CN(C(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCS1 ZINC000742923505 1076898147 /nfs/dbraw/zinc/89/81/47/1076898147.db2.gz LXHIMRLSYIZMOB-GDBMZVCRSA-N -1 3 409.577 2.494 20 30 HEEDHM O=C1Nc2cc(OC(F)(F)F)ccc2C1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448896 1077051591 /nfs/dbraw/zinc/05/15/91/1077051591.db2.gz FYBAKFOBPLZOIJ-UHFFFAOYSA-N -1 3 413.377 2.404 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCCCC1 ZINC000743755667 1077101441 /nfs/dbraw/zinc/10/14/41/1077101441.db2.gz WYTMRLZWOISPAC-INIZCTEOSA-N -1 3 407.536 2.095 20 30 HEEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cn(Cc3ccccn3)nn2)cc1Cl ZINC000744033367 1077309490 /nfs/dbraw/zinc/30/94/90/1077309490.db2.gz SMXQLDOHXWTKAD-CQSZACIVSA-N -1 3 410.821 2.345 20 30 HEEDHM Cc1ccc(OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000744036556 1077310374 /nfs/dbraw/zinc/31/03/74/1077310374.db2.gz CJEDJLXBQURNAU-GFCCVEGCSA-N -1 3 403.416 2.326 20 30 HEEDHM C[C@@H](CC(=O)Oc1cccc(-n2cccn2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744168197 1077329571 /nfs/dbraw/zinc/32/95/71/1077329571.db2.gz YMVWVBVJBBYYPE-AWEZNQCLSA-N -1 3 410.455 2.295 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2COc3cc(OC)ccc3C2)ccc1F ZINC000767389097 1079841439 /nfs/dbraw/zinc/84/14/39/1079841439.db2.gz GLIYFJZZTSOWKG-OAHLLOKOSA-N -1 3 420.462 2.032 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)ccc1F ZINC000804370961 1079905668 /nfs/dbraw/zinc/90/56/68/1079905668.db2.gz YUVPZNRXUFWRLG-IINYFYTJSA-N -1 3 410.389 2.082 20 30 HEEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(CC(=O)NC2CCCC2)c1 ZINC000772550191 1079957461 /nfs/dbraw/zinc/95/74/61/1079957461.db2.gz DTEIHCMRKUBGPG-QGZVFWFLSA-N -1 3 423.473 2.302 20 30 HEEDHM C#CCNC(=O)C1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CC1 ZINC000767782083 1080090287 /nfs/dbraw/zinc/09/02/87/1080090287.db2.gz QXNVREXKYMTFIR-UHFFFAOYSA-N -1 3 421.375 2.028 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](CCO)c2ccccc2)ccc1F ZINC000767804337 1080108640 /nfs/dbraw/zinc/10/86/40/1080108640.db2.gz FGCLZHKYARTWKL-SFHVURJKSA-N -1 3 406.479 2.486 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CC1CCOCC1 ZINC000767927637 1080219531 /nfs/dbraw/zinc/21/95/31/1080219531.db2.gz RUNWYNADXRETRS-KRWDZBQOSA-N -1 3 407.536 2.169 20 30 HEEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)OCc2ccc(C#N)cc2)CCCC1 ZINC000786315549 1080559325 /nfs/dbraw/zinc/55/93/25/1080559325.db2.gz ZWGOETLKBZWXFI-UHFFFAOYSA-N -1 3 403.460 2.498 20 30 HEEDHM Cc1ccc(-n2cc(NC(=O)C/N=C3/[N-]S(=O)(=O)c4ccccc43)cn2)c(C)c1 ZINC000786671878 1080773094 /nfs/dbraw/zinc/77/30/94/1080773094.db2.gz YOCXSOIOUODWJJ-UHFFFAOYSA-N -1 3 409.471 2.166 20 30 HEEDHM C[C@H](CC(=O)OCC(=O)c1ccc(F)cc1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745498346 1078514355 /nfs/dbraw/zinc/51/43/55/1078514355.db2.gz WPTNOSQYNGOXCN-GFCCVEGCSA-N -1 3 404.419 2.069 20 30 HEEDHM C[C@H](CC(=O)NCc1ccn(C2CCCC2)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000770234459 1078778926 /nfs/dbraw/zinc/77/89/26/1078778926.db2.gz RZEODUDIROVUEW-CQSZACIVSA-N -1 3 415.519 2.132 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nccs1 ZINC000746362174 1078874710 /nfs/dbraw/zinc/87/47/10/1078874710.db2.gz WVNXPWAVRAXBEX-AWEZNQCLSA-N -1 3 406.533 2.255 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)ccc1F ZINC000766787646 1079378122 /nfs/dbraw/zinc/37/81/22/1079378122.db2.gz NBZWCGZTPRZNKL-SFHVURJKSA-N -1 3 420.462 2.209 20 30 HEEDHM C[C@H](CC(=O)Oc1cc(F)cc([N+](=O)[O-])c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771635772 1079443701 /nfs/dbraw/zinc/44/37/01/1079443701.db2.gz BCHGHYZCOIWIOJ-SNVBAGLBSA-N -1 3 407.379 2.157 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1ccsc1 ZINC000740114265 1076121850 /nfs/dbraw/zinc/12/18/50/1076121850.db2.gz PLODLBAXQDNWMO-HOTGVXAUSA-N -1 3 421.544 2.195 20 30 HEEDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(N3CCCCC3)n2)cc1 ZINC000740535821 1076188458 /nfs/dbraw/zinc/18/84/58/1076188458.db2.gz PIJKDLYFMRNVOA-QGZVFWFLSA-N -1 3 420.473 2.130 20 30 HEEDHM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1ccnc(N2CCCCC2)n1 ZINC000740536966 1076188643 /nfs/dbraw/zinc/18/86/43/1076188643.db2.gz ZYSCHLADQYOFLZ-HNNXBMFYSA-N -1 3 407.430 2.199 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)ccc1F ZINC000740731775 1076218693 /nfs/dbraw/zinc/21/86/93/1076218693.db2.gz JRYAVPRXAOIIOY-MRXNPFEDSA-N -1 3 420.510 2.355 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(=O)C1CCCC1 ZINC000741828307 1076648322 /nfs/dbraw/zinc/64/83/22/1076648322.db2.gz FLAQONQUQFLSEA-MRXNPFEDSA-N -1 3 406.504 2.442 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)ccc1F ZINC000741967863 1076695202 /nfs/dbraw/zinc/69/52/02/1076695202.db2.gz SYPAOSAYLBQOIH-LBPRGKRZSA-N -1 3 408.499 2.001 20 30 HEEDHM CC(=O)Nc1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742464025 1076841830 /nfs/dbraw/zinc/84/18/30/1076841830.db2.gz XVLODUJHPJKRRA-GFCCVEGCSA-N -1 3 400.460 2.101 20 30 HEEDHM COc1cccc(CN(C)C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742476721 1076842859 /nfs/dbraw/zinc/84/28/59/1076842859.db2.gz AMUSZHBRCAFDDH-AWEZNQCLSA-N -1 3 401.488 2.171 20 30 HEEDHM Cc1ccc(OCCNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742478830 1076843060 /nfs/dbraw/zinc/84/30/60/1076843060.db2.gz RMLUZFLJYDIMDU-HNNXBMFYSA-N -1 3 401.488 2.007 20 30 HEEDHM C[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742495095 1076844902 /nfs/dbraw/zinc/84/49/02/1076844902.db2.gz KBGDLAOGTNGADH-OAHLLOKOSA-N -1 3 414.531 2.228 20 30 HEEDHM C[C@H](CC(=O)NCCOc1ccc(Cl)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742487428 1076846882 /nfs/dbraw/zinc/84/68/82/1076846882.db2.gz QSCNKSCMDDXIQE-CYBMUJFWSA-N -1 3 421.906 2.352 20 30 HEEDHM C[C@H](CC(=O)N[C@@H](C)COc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742562594 1076849407 /nfs/dbraw/zinc/84/94/07/1076849407.db2.gz ZUWVIYAMHNGLJY-CABCVRRESA-N -1 3 401.488 2.087 20 30 HEEDHM C[C@H](CC(=O)NCc1ccc2ccccc2n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742539826 1076849913 /nfs/dbraw/zinc/84/99/13/1076849913.db2.gz DMVKKHNBNYTTFX-CQSZACIVSA-N -1 3 408.483 2.368 20 30 HEEDHM COc1ccc(CCCNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742568589 1076852223 /nfs/dbraw/zinc/85/22/23/1076852223.db2.gz ACUHBRJPYBONTR-OAHLLOKOSA-N -1 3 415.515 2.261 20 30 HEEDHM COc1cc(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1C ZINC000742573583 1076852690 /nfs/dbraw/zinc/85/26/90/1076852690.db2.gz MKIGEKLPFWJZMT-AWEZNQCLSA-N -1 3 401.488 2.137 20 30 HEEDHM CC(C)Oc1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742566429 1076853992 /nfs/dbraw/zinc/85/39/92/1076853992.db2.gz HARULSKBGPKPPV-ZDUSSCGKSA-N -1 3 402.476 2.325 20 30 HEEDHM C[C@H](CC(=O)NCCCOc1ccc(F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742595816 1076854705 /nfs/dbraw/zinc/85/47/05/1076854705.db2.gz KVIRHHWWRMMECS-CQSZACIVSA-N -1 3 419.478 2.228 20 30 HEEDHM C[C@H](CC(=O)N1CCC(OC2CCCC2)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742606065 1076855641 /nfs/dbraw/zinc/85/56/41/1076855641.db2.gz GPVXUKSTTMOWLQ-OAHLLOKOSA-N -1 3 419.547 2.454 20 30 HEEDHM C[C@H](CC(=O)Nc1ccc(-c2ncon2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742619263 1076857107 /nfs/dbraw/zinc/85/71/07/1076857107.db2.gz RPTITVQTABQKRO-GFCCVEGCSA-N -1 3 411.443 2.192 20 30 HEEDHM COc1ccc(CN(C)C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1C ZINC000742630097 1076859243 /nfs/dbraw/zinc/85/92/43/1076859243.db2.gz AYJLSQMKLZSLMK-OAHLLOKOSA-N -1 3 415.515 2.479 20 30 HEEDHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742631609 1076859292 /nfs/dbraw/zinc/85/92/92/1076859292.db2.gz OLIMQISTCCNLJQ-DYVFJYSZSA-N -1 3 413.499 2.370 20 30 HEEDHM CCc1nc([C@H](C)NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cs1 ZINC000742661793 1076861576 /nfs/dbraw/zinc/86/15/76/1076861576.db2.gz FLOYUGAGHWJTBU-NEPJUHHUSA-N -1 3 406.533 2.400 20 30 HEEDHM C[C@@H](CC(=O)NCCc1ccc(F)cc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742664037 1076861841 /nfs/dbraw/zinc/86/18/41/1076861841.db2.gz CCQBKRDOOFXJNV-LBPRGKRZSA-N -1 3 407.442 2.141 20 30 HEEDHM COc1ccc(C2(NC(=O)C[C@@H](C)/N=C3/[N-]S(=O)(=O)c4ccccc43)CC2)cc1 ZINC000742655856 1076865261 /nfs/dbraw/zinc/86/52/61/1076865261.db2.gz FDPAGWDZZCRHIE-CQSZACIVSA-N -1 3 413.499 2.318 20 30 HEEDHM C[C@@H](CC(=O)N1CCOC2(CCCCC2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742711465 1076865923 /nfs/dbraw/zinc/86/59/23/1076865923.db2.gz GZZCDNPFCQTOTN-HNNXBMFYSA-N -1 3 405.520 2.065 20 30 HEEDHM C[C@H](CC(=O)Nc1cccc(C[S@](C)=O)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742683448 1076866077 /nfs/dbraw/zinc/86/60/77/1076866077.db2.gz OWOQEPKYLPQBMT-QWVSSGJLSA-N -1 3 419.528 2.021 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)Oc2ccc(OC)cc2)ccc1F ZINC000742779286 1076882252 /nfs/dbraw/zinc/88/22/52/1076882252.db2.gz PPBFZEOOTRBUEV-AWEZNQCLSA-N -1 3 422.478 2.496 20 30 HEEDHM O=C1Nc2cccc(Br)c2C1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743449209 1077051207 /nfs/dbraw/zinc/05/12/07/1077051207.db2.gz QQTZIJDQGIJEMA-UHFFFAOYSA-N -1 3 408.277 2.267 20 30 HEEDHM COC(=O)c1ccc(C)c(OC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744024132 1077298582 /nfs/dbraw/zinc/29/85/82/1077298582.db2.gz HNZGLOYFYAPRCR-ZDUSSCGKSA-N -1 3 416.455 2.204 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC12CCOCC2 ZINC000768000648 1080268220 /nfs/dbraw/zinc/26/82/20/1080268220.db2.gz GHXNDMFSYBSPIL-INIZCTEOSA-N -1 3 405.520 2.065 20 30 HEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)NCC(=O)c1ccccc1 ZINC000786288368 1080533531 /nfs/dbraw/zinc/53/35/31/1080533531.db2.gz JRTOFEWICUDDEF-HNNXBMFYSA-N -1 3 409.442 2.139 20 30 HEEDHM C=C(Br)COC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1 ZINC000786303633 1080546145 /nfs/dbraw/zinc/54/61/45/1080546145.db2.gz IYLKJHRGCMMYMH-UHFFFAOYSA-N -1 3 407.286 2.334 20 30 HEEDHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccc(OC)cc1OC ZINC000768549905 1080652418 /nfs/dbraw/zinc/65/24/18/1080652418.db2.gz FQCUKGIGUBZIBX-INIZCTEOSA-N -1 3 422.434 2.297 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(O)(c3ccccc3)CC2)ccc1F ZINC000768590355 1080670280 /nfs/dbraw/zinc/67/02/80/1080670280.db2.gz XCPURHARSZDZSA-UHFFFAOYSA-N -1 3 418.490 2.414 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-n3ccnn3)c2)ccc1F ZINC000768599032 1080676284 /nfs/dbraw/zinc/67/62/84/1080676284.db2.gz MLTAAUWQKFOXRS-UHFFFAOYSA-N -1 3 401.423 2.123 20 30 HEEDHM CCn1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c(=O)c2ccccc21 ZINC000786554725 1080684106 /nfs/dbraw/zinc/68/41/06/1080684106.db2.gz NTXSCKNUNIAHPP-OAHLLOKOSA-N -1 3 410.380 2.333 20 30 HEEDHM COC(=O)c1ccc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000745494748 1078509109 /nfs/dbraw/zinc/50/91/09/1078509109.db2.gz CGYOHEJPGHMLCC-CYBMUJFWSA-N -1 3 416.455 2.034 20 30 HEEDHM Cc1ccccc1OCCOC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745494815 1078509997 /nfs/dbraw/zinc/50/99/97/1078509997.db2.gz BLURMTXYGVQJPO-OAHLLOKOSA-N -1 3 402.472 2.434 20 30 HEEDHM COc1ccc(CCOC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000745496372 1078511446 /nfs/dbraw/zinc/51/14/46/1078511446.db2.gz LUVJVIODPCZLFO-CQSZACIVSA-N -1 3 402.472 2.298 20 30 HEEDHM Cc1ccccc1C(=O)COC(=O)C[C@H](C)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745497789 1078513335 /nfs/dbraw/zinc/51/33/35/1078513335.db2.gz SBSGGHPRBUBBAF-AWEZNQCLSA-N -1 3 400.456 2.238 20 30 HEEDHM CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000769709039 1078531088 /nfs/dbraw/zinc/53/10/88/1078531088.db2.gz KFPXFQGYCCVCSA-UZYVYHOESA-N -1 3 417.443 2.186 20 30 HEEDHM COc1cc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)ccc1OCc1ccncc1 ZINC000769819176 1078560639 /nfs/dbraw/zinc/56/06/39/1078560639.db2.gz JXYOQTOSPCUNCW-UHFFFAOYSA-N -1 3 405.418 2.498 20 30 HEEDHM C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000770099553 1078723110 /nfs/dbraw/zinc/72/31/10/1078723110.db2.gz MOJFNTJWKRNRLA-HZMBPMFUSA-N -1 3 415.899 2.046 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)ccc1F ZINC000770112249 1078734006 /nfs/dbraw/zinc/73/40/06/1078734006.db2.gz NRQXSHNDCZUBID-OAQYLSRUSA-N -1 3 413.474 2.471 20 30 HEEDHM C[C@@H](CC(=O)NCc1ccn(C2CCCC2)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000770234457 1078778854 /nfs/dbraw/zinc/77/88/54/1078778854.db2.gz RZEODUDIROVUEW-AWEZNQCLSA-N -1 3 415.519 2.132 20 30 HEEDHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000770249309 1078811483 /nfs/dbraw/zinc/81/14/83/1078811483.db2.gz YBSDBIZYARFKRH-CHWSQXEVSA-N -1 3 401.463 2.399 20 30 HEEDHM C#Cc1cccc(NC(=O)CNC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000770486611 1078877844 /nfs/dbraw/zinc/87/78/44/1078877844.db2.gz SZFRWSMWVGXJPP-UHFFFAOYSA-N -1 3 418.409 2.291 20 30 HEEDHM CN(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cn1 ZINC000770848210 1079036591 /nfs/dbraw/zinc/03/65/91/1079036591.db2.gz UBYBBQQOLQPNOT-KRWDZBQOSA-N -1 3 422.466 2.446 20 30 HEEDHM CN(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cn1 ZINC000770848211 1079036723 /nfs/dbraw/zinc/03/67/23/1079036723.db2.gz UBYBBQQOLQPNOT-QGZVFWFLSA-N -1 3 422.466 2.446 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2nc[nH]n2)ccc1F ZINC000770832186 1079051469 /nfs/dbraw/zinc/05/14/69/1079051469.db2.gz USSWTSZSVGNJKO-UHFFFAOYSA-N -1 3 401.423 2.327 20 30 HEEDHM N#Cc1c(N)n(-c2ccccc2)nc1CCC[N-]S(=O)(=O)c1cccnc1Cl ZINC000738353434 1075997245 /nfs/dbraw/zinc/99/72/45/1075997245.db2.gz RGGFWAAVIZYBEG-UHFFFAOYSA-N -1 3 416.894 2.286 20 30 HEEDHM N#CC(C(=O)Nc1ccc2c(c1)OCCO2)=C([O-])c1ccnc(N2CCCCC2)n1 ZINC000740536973 1076188420 /nfs/dbraw/zinc/18/84/20/1076188420.db2.gz ZYSCHLADQYOFLZ-OAHLLOKOSA-N -1 3 407.430 2.199 20 30 HEEDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(N3CCCCC3)n2)cc1 ZINC000740535818 1076188736 /nfs/dbraw/zinc/18/87/36/1076188736.db2.gz PIJKDLYFMRNVOA-KRWDZBQOSA-N -1 3 420.473 2.130 20 30 HEEDHM Cc1ccccc1[C@@H]1CN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)[C@@H](C)CO1 ZINC000741987796 1076704312 /nfs/dbraw/zinc/70/43/12/1076704312.db2.gz FESIDFPLGYURAQ-YJBOKZPZSA-N -1 3 413.499 2.022 20 30 HEEDHM Cc1cc(Br)c(S(=O)(=O)[N-]CCNc2ccc(C#N)cn2)s1 ZINC000742275712 1076808110 /nfs/dbraw/zinc/80/81/10/1076808110.db2.gz QJXKVOGCOSJRLN-UHFFFAOYSA-N -1 3 401.311 2.476 20 30 HEEDHM C[C@@H](CC(=O)N(C)Cc1ccc(Cl)nc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742519005 1076847069 /nfs/dbraw/zinc/84/70/69/1076847069.db2.gz QCZBKCAQJFMQOC-LBPRGKRZSA-N -1 3 406.895 2.211 20 30 HEEDHM C[C@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742531440 1076848174 /nfs/dbraw/zinc/84/81/74/1076848174.db2.gz BODUOALNAZHCHC-GFCCVEGCSA-N -1 3 412.471 2.027 20 30 HEEDHM C[C@H](CC(=O)Nc1ccc(-c2nnco2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742544033 1076850253 /nfs/dbraw/zinc/85/02/53/1076850253.db2.gz NBLWAZXXLXGHFZ-GFCCVEGCSA-N -1 3 411.443 2.192 20 30 HEEDHM C[C@@H](CC(=O)Nc1nccn1Cc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742571137 1076852390 /nfs/dbraw/zinc/85/23/90/1076852390.db2.gz XIBVSYGUGZFGTN-HNNXBMFYSA-N -1 3 423.498 2.387 20 30 HEEDHM CCCOc1ncccc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742585867 1076853597 /nfs/dbraw/zinc/85/35/97/1076853597.db2.gz MNILXVGIBFIPSW-CQSZACIVSA-N -1 3 416.503 2.004 20 30 HEEDHM CC(C)COC1CCN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742566915 1076854165 /nfs/dbraw/zinc/85/41/65/1076854165.db2.gz RLVSBOKUYOMPNH-HNNXBMFYSA-N -1 3 407.536 2.167 20 30 HEEDHM Cc1nc(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)nc2ccccc12 ZINC000742618419 1076857061 /nfs/dbraw/zinc/85/70/61/1076857061.db2.gz YSXZUGZIOZFMLW-ZDUSSCGKSA-N -1 3 423.498 2.072 20 30 HEEDHM C[C@H](CC(=O)N[C@@H]1CSc2ccccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742687507 1076866644 /nfs/dbraw/zinc/86/66/44/1076866644.db2.gz JTVUXIZRNCOVSJ-IUODEOHRSA-N -1 3 401.513 2.467 20 30 HEEDHM C[C@H](CC(=O)NC[C@H](C)Oc1ccccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742731363 1076871096 /nfs/dbraw/zinc/87/10/96/1076871096.db2.gz KXAQAPRTRWWBMP-KGLIPLIRSA-N -1 3 419.478 2.227 20 30 HEEDHM N#Cc1ccc(F)c(CNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)c1 ZINC000742733744 1076871796 /nfs/dbraw/zinc/87/17/96/1076871796.db2.gz TWOVECDMKIGROL-UHFFFAOYSA-N -1 3 409.389 2.346 20 30 HEEDHM CC(=O)Nc1ccc(OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c(F)c1 ZINC000742838611 1076885682 /nfs/dbraw/zinc/88/56/82/1076885682.db2.gz YDMMFNTZJOLPAR-LLVKDONJSA-N -1 3 419.434 2.207 20 30 HEEDHM C[C@@H](CC(=O)N1CCN(C)c2cc(F)ccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742910357 1076890938 /nfs/dbraw/zinc/89/09/38/1076890938.db2.gz FYGZFKYIYSILCB-ZDUSSCGKSA-N -1 3 416.478 2.126 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1cnn(CC2CC2)c1 ZINC000742964311 1076910018 /nfs/dbraw/zinc/91/00/18/1076910018.db2.gz SYIRWZZVVZOKMQ-KRWDZBQOSA-N -1 3 415.519 2.385 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCN2c3ccccc3C[C@@H]2C)ccc1F ZINC000744080736 1077314707 /nfs/dbraw/zinc/31/47/07/1077314707.db2.gz SLCDTYGNGFBNJJ-HNNXBMFYSA-N -1 3 417.506 2.471 20 30 HEEDHM C[C@@H](CC(=O)OCc1cccc(N(C)C)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744182456 1077336383 /nfs/dbraw/zinc/33/63/83/1077336383.db2.gz XGAKNZWYVYRISZ-AWEZNQCLSA-N -1 3 401.488 2.313 20 30 HEEDHM COc1ccc(N(C)C(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000746517722 1079601760 /nfs/dbraw/zinc/60/17/60/1079601760.db2.gz UODPRZJCBWJVMS-MRXNPFEDSA-N -1 3 416.503 2.206 20 30 HEEDHM N#Cc1ccc(N2CC[C@@H](OC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2=O)cc1 ZINC000767282057 1079806581 /nfs/dbraw/zinc/80/65/81/1079806581.db2.gz DCIZLONUTCKSJN-UYAOXDASSA-N -1 3 419.437 2.217 20 30 HEEDHM C[C@H](CC(=O)N(C)[C@H](CCO)c1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000767806366 1080088136 /nfs/dbraw/zinc/08/81/36/1080088136.db2.gz HBKLMNMOGRYRAB-CRAIPNDOSA-N -1 3 415.515 2.086 20 30 HEEDHM N#C[C@H]1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCN1C1CC1 ZINC000767921633 1080217168 /nfs/dbraw/zinc/21/71/68/1080217168.db2.gz KDHLGJYFYFNASM-ZDUSSCGKSA-N -1 3 401.264 2.103 20 30 HEEDHM C[C@H](CC(=O)NCc1ncc(C(C)(C)C)o1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000746625126 1080973725 /nfs/dbraw/zinc/97/37/25/1080973725.db2.gz GWFJMMHKGVNSRK-GFCCVEGCSA-N -1 3 404.492 2.106 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(O)cc1 ZINC000769366155 1081054269 /nfs/dbraw/zinc/05/42/69/1081054269.db2.gz SVHVIJOEVCVRLC-GOSISDBHSA-N -1 3 415.515 2.204 20 30 HEEDHM C[C@H](CC(=O)OCc1c(F)cccc1[N+](=O)[O-])/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497504 1078514413 /nfs/dbraw/zinc/51/44/13/1078514413.db2.gz UZVRXKNRTWPGER-LLVKDONJSA-N -1 3 421.406 2.294 20 30 HEEDHM C[C@@H](CC(=O)OCCc1ccc2c(c1)CCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495895 1078510575 /nfs/dbraw/zinc/51/05/75/1078510575.db2.gz JHCLDCRLAYICES-AWEZNQCLSA-N -1 3 414.483 2.225 20 30 HEEDHM C[C@H](CC(=O)OCc1ccccc1[N+](=O)[O-])/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496334 1078511384 /nfs/dbraw/zinc/51/13/84/1078511384.db2.gz LITHEHOOJLYIPT-GFCCVEGCSA-N -1 3 403.416 2.155 20 30 HEEDHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(N2CCOCC2)cc1Cl ZINC000769818246 1078560182 /nfs/dbraw/zinc/56/01/82/1078560182.db2.gz FSQCUCAZAKIGJH-UHFFFAOYSA-N -1 3 401.858 2.395 20 30 HEEDHM COc1ccc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1OCc1cccnc1 ZINC000769817754 1078560212 /nfs/dbraw/zinc/56/02/12/1078560212.db2.gz AOFAGFFKYUBRQD-UHFFFAOYSA-N -1 3 405.418 2.498 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2nc(-c3ccccn3)no2)ccc1F ZINC000746063373 1078761277 /nfs/dbraw/zinc/76/12/77/1078761277.db2.gz CJLKQAMEQJLUAW-UHFFFAOYSA-N -1 3 418.406 2.092 20 30 HEEDHM Cc1ccccc1-c1cc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n(C)n1 ZINC000746340658 1078866131 /nfs/dbraw/zinc/86/61/31/1078866131.db2.gz ZBJATZVGWLYLCH-UHFFFAOYSA-N -1 3 409.471 2.073 20 30 HEEDHM C#CCOc1ccccc1CNC(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000770619351 1078918407 /nfs/dbraw/zinc/91/84/07/1078918407.db2.gz QYAUPHLKUAQKFT-UHFFFAOYSA-N -1 3 411.462 2.083 20 30 HEEDHM C#CCOc1ccccc1CNC(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000770619351 1078918412 /nfs/dbraw/zinc/91/84/12/1078918412.db2.gz QYAUPHLKUAQKFT-UHFFFAOYSA-N -1 3 411.462 2.083 20 30 HEEDHM C[C@@H](CC(=O)NCCc1cc2ccccc2[nH]1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771275398 1079263529 /nfs/dbraw/zinc/26/35/29/1079263529.db2.gz DAHWLYPLMOZUAW-AWEZNQCLSA-N -1 3 410.499 2.344 20 30 HEEDHM C[C@H](CC(=O)OCC#Cc1ccc(F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771361931 1079303843 /nfs/dbraw/zinc/30/38/43/1079303843.db2.gz MKHZCZPSOPKZIR-CQSZACIVSA-N -1 3 400.431 2.238 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2nc3cccc(C)c3n2C)ccc1F ZINC000771617495 1079401471 /nfs/dbraw/zinc/40/14/71/1079401471.db2.gz MFLVXROOGAICHV-UHFFFAOYSA-N -1 3 416.478 2.415 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H](O)c2cccc(F)c2)ccc1F ZINC000771738432 1079472674 /nfs/dbraw/zinc/47/26/74/1079472674.db2.gz PHXATUSBQCLCCR-KPZWWZAWSA-N -1 3 410.442 2.281 20 30 HEEDHM CCCN(C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@@H]1C[C@H](OCC)C1(C)C ZINC000740806207 1076252424 /nfs/dbraw/zinc/25/24/24/1076252424.db2.gz NEGSGNOZOVCEIF-SJORKVTESA-N -1 3 407.536 2.167 20 30 HEEDHM Cc1ccc(OCCN(C)C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742499061 1076845309 /nfs/dbraw/zinc/84/53/09/1076845309.db2.gz MQPQBOIHOMFUTM-MRXNPFEDSA-N -1 3 415.515 2.350 20 30 HEEDHM C[C@H](CC(=O)NC[C@H](C)N(C)c1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742542408 1076850234 /nfs/dbraw/zinc/85/02/34/1076850234.db2.gz RQOFCHQRWYDPHF-CVEARBPZSA-N -1 3 414.531 2.145 20 30 HEEDHM CCOc1cccc(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742546165 1076850697 /nfs/dbraw/zinc/85/06/97/1076850697.db2.gz NDRANRPCJLFRRG-CQSZACIVSA-N -1 3 401.488 2.219 20 30 HEEDHM C[C@@H](CC(=O)NCC1(c2ccc(F)cc2)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742548512 1076851067 /nfs/dbraw/zinc/85/10/67/1076851067.db2.gz FNDOHESPDMWILN-AWEZNQCLSA-N -1 3 415.490 2.491 20 30 HEEDHM COCc1cc(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1F ZINC000742652086 1076858557 /nfs/dbraw/zinc/85/85/57/1076858557.db2.gz AXNZRIYSLPONQI-ZDUSSCGKSA-N -1 3 419.478 2.106 20 30 HEEDHM C[C@H](CC(=O)N[C@@H]1CCc2ccc(F)cc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742641513 1076860623 /nfs/dbraw/zinc/86/06/23/1076860623.db2.gz CLRJZRVDCSHIJC-SJKOYZFVSA-N -1 3 401.463 2.447 20 30 HEEDHM Cc1csc(C(C)(C)NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000742682955 1076866059 /nfs/dbraw/zinc/86/60/59/1076866059.db2.gz CDYRJOKFSSAGFS-NSHDSACASA-N -1 3 406.533 2.320 20 30 HEEDHM C[C@H](CC(=O)N1C[C@H](C)Oc2cc(F)ccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742707328 1076869606 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ODBCGXWDFWLABA-UHFFFAOYSA-N -1 3 412.240 2.265 20 30 HEEDHM C[C@H](CC(=O)N1CCOC[C@H]1c1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742956691 1076904128 /nfs/dbraw/zinc/90/41/28/1076904128.db2.gz VKFUDAIZHBOKRA-QAPCUYQASA-N -1 3 413.499 2.104 20 30 HEEDHM COc1cc(OC)cc(OC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744024554 1077298226 /nfs/dbraw/zinc/29/82/26/1077298226.db2.gz WAZMWUUWSKIVFL-LBPRGKRZSA-N -1 3 404.444 2.127 20 30 HEEDHM COC(=O)c1ccc(C)c(OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744024131 1077298650 /nfs/dbraw/zinc/29/86/50/1077298650.db2.gz HNZGLOYFYAPRCR-CYBMUJFWSA-N -1 3 416.455 2.204 20 30 HEEDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744036121 1077310795 /nfs/dbraw/zinc/31/07/95/1077310795.db2.gz VVMQCKDEYZHRCO-LBPRGKRZSA-N -1 3 403.416 2.326 20 30 HEEDHM CON(C)S(=O)(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000744339025 1077369279 /nfs/dbraw/zinc/36/92/79/1077369279.db2.gz YJOWFVVZKUJUCP-UHFFFAOYSA-N -1 3 418.475 2.029 20 30 HEEDHM CO[C@H](CNC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)(C)C ZINC000744697512 1077546855 /nfs/dbraw/zinc/54/68/55/1077546855.db2.gz KALWADFUXXKFGJ-NVXWUHKLSA-N -1 3 409.552 2.317 20 30 HEEDHM C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)Nc1cccc(C#N)c1 ZINC000744725951 1077557619 /nfs/dbraw/zinc/55/76/19/1077557619.db2.gz QOQFYQNJHFGCDT-KSSFIOAISA-N -1 3 407.426 2.439 20 30 HEEDHM CC(=O)N(C)c1cccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744772229 1077577576 /nfs/dbraw/zinc/57/75/76/1077577576.db2.gz AUOOXEKDEQRJLS-CYBMUJFWSA-N -1 3 414.487 2.125 20 30 HEEDHM C[C@@H](CC(=O)N1CCc2cccc(F)c2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000767425564 1079858079 /nfs/dbraw/zinc/85/80/79/1079858079.db2.gz KORXPYDWRWDTFQ-ZDUSSCGKSA-N -1 3 401.463 2.228 20 30 HEEDHM Cc1cncc(C=CC([O-])=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000772554170 1079960905 /nfs/dbraw/zinc/96/09/05/1079960905.db2.gz MGQXQJAMGVNWPF-BAABZTOOSA-N -1 3 408.370 2.430 20 30 HEEDHM C[C@H](CC(=O)N[C@@H]1CCc2cc(C#N)ccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000785562485 1080078880 /nfs/dbraw/zinc/07/88/80/1080078880.db2.gz FKYBPYWYVJZIKN-FZKQIMNGSA-N -1 3 408.483 2.179 20 30 HEEDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000768563620 1080632274 /nfs/dbraw/zinc/63/22/74/1080632274.db2.gz CKIFSNJNOPDFPR-UHFFFAOYSA-N -1 3 409.899 2.317 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3cc(O)ccc3C2)ccc1F ZINC000768788358 1080798735 /nfs/dbraw/zinc/79/87/35/1080798735.db2.gz AVKXCMDJRKNSLA-INIZCTEOSA-N -1 3 404.463 2.283 20 30 HEEDHM COCCc1cccc(OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000786764599 1080807678 /nfs/dbraw/zinc/80/76/78/1080807678.db2.gz ZTBWMVDYVQSYBJ-CQSZACIVSA-N -1 3 402.472 2.298 20 30 HEEDHM N#Cc1cccnc1NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000746637122 1081009994 /nfs/dbraw/zinc/00/99/94/1081009994.db2.gz FXIDEFOXCMPXMT-UHFFFAOYSA-N -1 3 415.353 2.271 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](OCc3ccccn3)C2)ccc1F ZINC000769299420 1081034520 /nfs/dbraw/zinc/03/45/20/1081034520.db2.gz YROAHAHTDWUKHZ-KRWDZBQOSA-N -1 3 419.478 2.116 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCc1ccccc1O ZINC000769421847 1081068449 /nfs/dbraw/zinc/06/84/49/1081068449.db2.gz DJQJIYHKULGCTA-KRWDZBQOSA-N -1 3 415.515 2.204 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCc1cccc(O)c1 ZINC000769464980 1081088757 /nfs/dbraw/zinc/08/87/57/1081088757.db2.gz HUHFYGFNVRTKSX-SFHVURJKSA-N -1 3 415.515 2.204 20 30 HEEDHM Cc1ccccc1C(=O)COC(=O)C[C@@H](C)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745497790 1078513282 /nfs/dbraw/zinc/51/32/82/1078513282.db2.gz SBSGGHPRBUBBAF-CQSZACIVSA-N -1 3 400.456 2.238 20 30 HEEDHM Cc1ccc(C(=O)COC(=O)C[C@@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000745497887 1078513560 /nfs/dbraw/zinc/51/35/60/1078513560.db2.gz XJHXQQMIOUICTQ-CQSZACIVSA-N -1 3 400.456 2.238 20 30 HEEDHM C[C@H](CC(=O)OCc1ccc(F)cc1C#N)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497568 1078514130 /nfs/dbraw/zinc/51/41/30/1078514130.db2.gz WJQTZPAMHPWDTL-GFCCVEGCSA-N -1 3 401.419 2.258 20 30 HEEDHM C[C@@H](CC(=O)NCC1(C)Cc2ccccc2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000769758445 1078542543 /nfs/dbraw/zinc/54/25/43/1078542543.db2.gz CTWRYRUYBWWDKW-HNNXBMFYSA-N -1 3 411.527 2.425 20 30 HEEDHM COC[C@](C)(C#N)NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000769994201 1078677532 /nfs/dbraw/zinc/67/75/32/1078677532.db2.gz QBTBPXYFQJIMDB-NRFANRHFSA-N -1 3 413.430 2.320 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ncn(-c3ccccc3)n2)ccc1F ZINC000770946386 1079087515 /nfs/dbraw/zinc/08/75/15/1079087515.db2.gz SAXFTMPOBVNHQN-UHFFFAOYSA-N -1 3 416.434 2.228 20 30 HEEDHM C#CCOc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000766668588 1079241381 /nfs/dbraw/zinc/24/13/81/1079241381.db2.gz LIWZZLSTASUBEG-UHFFFAOYSA-N -1 3 403.232 2.422 20 30 HEEDHM C[C@@H](CC(=O)Oc1cc(F)cc([N+](=O)[O-])c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771635771 1079443654 /nfs/dbraw/zinc/44/36/54/1079443654.db2.gz BCHGHYZCOIWIOJ-JTQLQIEISA-N -1 3 407.379 2.157 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1ccn(C(C)C)n1 ZINC000737957495 1075948009 /nfs/dbraw/zinc/94/80/09/1075948009.db2.gz PRGUQGALHSHIFD-KRWDZBQOSA-N -1 3 417.535 2.378 20 30 HEEDHM CCN(CC)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000739935187 1076094581 /nfs/dbraw/zinc/09/45/81/1076094581.db2.gz YBCDWGSJSZDCSX-SFHVURJKSA-N -1 3 403.479 2.455 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CCCOC(C)C ZINC000740839278 1076263953 /nfs/dbraw/zinc/26/39/53/1076263953.db2.gz XTPGUOIGGWSACK-QGZVFWFLSA-N -1 3 409.552 2.413 20 30 HEEDHM CCc1cc(CNC(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)on1 ZINC000741216564 1076407494 /nfs/dbraw/zinc/40/74/94/1076407494.db2.gz HGAIFYSUNMUMBV-MRXNPFEDSA-N -1 3 404.492 2.007 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1ccc(C)o1 ZINC000741295718 1076449320 /nfs/dbraw/zinc/44/93/20/1076449320.db2.gz KDHSGYUJYPFZAQ-JKSUJKDBSA-N -1 3 419.503 2.035 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2NC(C)=O)ccc1F ZINC000741645083 1076568285 /nfs/dbraw/zinc/56/82/85/1076568285.db2.gz ZBSUJINXXYDXHH-UHFFFAOYSA-N -1 3 405.451 2.178 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)Oc2cccc(OC)c2)ccc1F ZINC000742015389 1076708236 /nfs/dbraw/zinc/70/82/36/1076708236.db2.gz GQSHAXAEEOOYIA-AWEZNQCLSA-N -1 3 422.478 2.496 20 30 HEEDHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000742131563 1076749972 /nfs/dbraw/zinc/74/99/72/1076749972.db2.gz KVOVFIDNFZZKRF-CXAGYDPISA-N -1 3 401.463 2.474 20 30 HEEDHM C[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742495094 1076844850 /nfs/dbraw/zinc/84/48/50/1076844850.db2.gz KBGDLAOGTNGADH-HNNXBMFYSA-N -1 3 414.531 2.228 20 30 HEEDHM COC(=O)c1ccc(F)c(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742509649 1076846248 /nfs/dbraw/zinc/84/62/48/1076846248.db2.gz BHMLLPFTLBOHTK-LLVKDONJSA-N -1 3 419.434 2.068 20 30 HEEDHM C[C@@H](CC(=O)NCc1ncc(-c2ccccc2)o1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742537426 1076847553 /nfs/dbraw/zinc/84/75/53/1076847553.db2.gz XSLJVUPWYIIACZ-AWEZNQCLSA-N -1 3 424.482 2.475 20 30 HEEDHM COc1cccc([C@H](C)NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742524897 1076847745 /nfs/dbraw/zinc/84/77/45/1076847745.db2.gz QQHDKRHOEHOPCC-KBPBESRZSA-N -1 3 401.488 2.390 20 30 HEEDHM CCOCc1ccc(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742526308 1076847841 /nfs/dbraw/zinc/84/78/41/1076847841.db2.gz AGXWDFSMKGCUTQ-OAHLLOKOSA-N -1 3 415.515 2.357 20 30 HEEDHM C[C@@H](CC(=O)N(C)Cc1nc2ccccc2[nH]1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742516132 1076849070 /nfs/dbraw/zinc/84/90/70/1076849070.db2.gz VSZPQQFRDUHNHJ-ZDUSSCGKSA-N -1 3 411.487 2.039 20 30 HEEDHM Cc1cccc(OC[C@H](C)NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742575090 1076852818 /nfs/dbraw/zinc/85/28/18/1076852818.db2.gz XEESTSLGAHDMHL-HOTGVXAUSA-N -1 3 415.515 2.396 20 30 HEEDHM CCc1nc(CN(C)C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cs1 ZINC000742583927 1076853472 /nfs/dbraw/zinc/85/34/72/1076853472.db2.gz QETOSJXZFYKDIL-LBPRGKRZSA-N -1 3 406.533 2.181 20 30 HEEDHM CC(C)c1nc(CCNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cs1 ZINC000742617455 1076857067 /nfs/dbraw/zinc/85/70/67/1076857067.db2.gz KTRLFUYZEHCQLG-ZDUSSCGKSA-N -1 3 420.560 2.443 20 30 HEEDHM Cc1ccccc1OCCCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742641582 1076860717 /nfs/dbraw/zinc/86/07/17/1076860717.db2.gz JMFYZQOGFOIBBH-MRXNPFEDSA-N -1 3 415.515 2.397 20 30 HEEDHM CCOc1ccc(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1F ZINC000742643153 1076860860 /nfs/dbraw/zinc/86/08/60/1076860860.db2.gz NSVPZESSSLJJIH-CYBMUJFWSA-N -1 3 419.478 2.358 20 30 HEEDHM Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742683284 1076866304 /nfs/dbraw/zinc/86/63/04/1076866304.db2.gz NBTAYKAUZYESOE-HNNXBMFYSA-N -1 3 414.531 2.195 20 30 HEEDHM COc1cccc(CN(C)C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000742734173 1076871810 /nfs/dbraw/zinc/87/18/10/1076871810.db2.gz POBHLIPMOABKOS-UHFFFAOYSA-N -1 3 411.458 2.419 20 30 HEEDHM C[C@H](CC(=O)N1CCN(C)c2cc(F)ccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742910354 1076890968 /nfs/dbraw/zinc/89/09/68/1076890968.db2.gz FYGZFKYIYSILCB-CYBMUJFWSA-N -1 3 416.478 2.126 20 30 HEEDHM C[C@H](CC(=O)NC[C@@H](O)c1ccccc1Cl)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743494180 1077061039 /nfs/dbraw/zinc/06/10/39/1077061039.db2.gz IAERGUPLTMDTFN-MLGOLLRUSA-N -1 3 421.906 2.007 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC2(C1)CCOCC2 ZINC000743783950 1077113288 /nfs/dbraw/zinc/11/32/88/1077113288.db2.gz MQDBLALJDOKIMF-QGZVFWFLSA-N -1 3 419.547 2.169 20 30 HEEDHM CCOC(=O)c1cccc(OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744022692 1077297942 /nfs/dbraw/zinc/29/79/42/1077297942.db2.gz NUNDURHELBMGBL-CYBMUJFWSA-N -1 3 416.455 2.286 20 30 HEEDHM CCOc1cc(C#N)ccc1OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744025903 1077298617 /nfs/dbraw/zinc/29/86/17/1077298617.db2.gz IKHDRQUKVQUNSG-ZDUSSCGKSA-N -1 3 413.455 2.380 20 30 HEEDHM Cc1ccc(-c2cnc(COC(=O)C/N=C3/[N-]S(=O)(=O)c4ccccc43)o2)cc1 ZINC000744495605 1077416064 /nfs/dbraw/zinc/41/60/64/1077416064.db2.gz WYHVZTFYQFVHAF-UHFFFAOYSA-N -1 3 411.439 2.432 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)ccc1F ZINC000744730554 1077559025 /nfs/dbraw/zinc/55/90/25/1077559025.db2.gz YWJGUKQVIMGTTF-HZMBPMFUSA-N -1 3 410.389 2.082 20 30 HEEDHM COc1ccc([C@@]2(C)NC(=O)N(N=Cc3cc(OC)c([O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000767109937 1079664298 /nfs/dbraw/zinc/66/42/98/1079664298.db2.gz GJJFQCBRDRLAHE-LJQANCHMSA-N -1 3 414.374 2.119 20 30 HEEDHM COc1cccc([C@]2(C)NC(=O)N(N=Cc3cc(OC)c([O-])cc3[N+](=O)[O-])C2=O)c1 ZINC000767168900 1079703532 /nfs/dbraw/zinc/70/35/32/1079703532.db2.gz QWUYSRVYNGGXPL-IBGZPJMESA-N -1 3 414.374 2.119 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)OC)ccc1F ZINC000772380739 1079855571 /nfs/dbraw/zinc/85/55/71/1079855571.db2.gz ZGKGWQBVAOAQPB-LIRRHRJNSA-N -1 3 412.483 2.142 20 30 HEEDHM Cc1cc(F)ccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)nn1 ZINC000767433163 1079861020 /nfs/dbraw/zinc/86/10/20/1079861020.db2.gz QYYUXDQATFKXCU-OAHLLOKOSA-N -1 3 421.388 2.447 20 30 HEEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(CC(=O)NC2CCCC2)c1 ZINC000772550187 1079957553 /nfs/dbraw/zinc/95/75/53/1079957553.db2.gz DTEIHCMRKUBGPG-KRWDZBQOSA-N -1 3 423.473 2.302 20 30 HEEDHM C[C@H](CC(=O)Nc1nc2c(s1)CSCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000804358991 1080012241 /nfs/dbraw/zinc/01/22/41/1080012241.db2.gz ZDNYTYAZSLGENM-SNVBAGLBSA-N -1 3 422.557 2.388 20 30 HEEDHM CC(C)(C)OC(=O)N1C[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)[C@@H](C#N)C1 ZINC000785515921 1080029864 /nfs/dbraw/zinc/02/98/64/1080029864.db2.gz CRCFDCQFYOBGJM-JQWIXIFHSA-N -1 3 420.413 2.138 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC1C[C@@H](C)O[C@@H](C)C1 ZINC000768048014 1080312790 /nfs/dbraw/zinc/31/27/90/1080312790.db2.gz QSWIPFAJJHNSDV-MYSGWJLTSA-N -1 3 407.536 2.212 20 30 HEEDHM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000786367585 1080572805 /nfs/dbraw/zinc/57/28/05/1080572805.db2.gz OJBQFYZNWMODPK-INIZCTEOSA-N -1 3 421.906 2.225 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1ccc(OC)cn1 ZINC000768879759 1080829559 /nfs/dbraw/zinc/82/95/59/1080829559.db2.gz WRTUVSNMYYMPFW-QGZVFWFLSA-N -1 3 416.503 2.004 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](OCc3ccccn3)C2)ccc1F ZINC000769299423 1081034598 /nfs/dbraw/zinc/03/45/98/1081034598.db2.gz YROAHAHTDWUKHZ-QGZVFWFLSA-N -1 3 419.478 2.116 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2c2ncon2)ccc1F ZINC000787260867 1081076212 /nfs/dbraw/zinc/07/62/12/1081076212.db2.gz JHWHTPWTOFXOIH-OAHLLOKOSA-N -1 3 408.455 2.431 20 30 HEEDHM COc1ccccc1OCCOC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495694 1078510329 /nfs/dbraw/zinc/51/03/29/1078510329.db2.gz IAEBPSAMUIYABV-CQSZACIVSA-N -1 3 418.471 2.135 20 30 HEEDHM CCc1ccc(C(=O)COC(=O)C[C@@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000745497778 1078513598 /nfs/dbraw/zinc/51/35/98/1078513598.db2.gz RVCJKZGZPCLSKT-CQSZACIVSA-N -1 3 414.483 2.492 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CC=C(c2c(F)cccc2F)CC1 ZINC000770028855 1078695461 /nfs/dbraw/zinc/69/54/61/1078695461.db2.gz DICNNQHTYNANSR-UHFFFAOYSA-N -1 3 417.437 2.319 20 30 HEEDHM C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000771175019 1079210090 /nfs/dbraw/zinc/21/00/90/1079210090.db2.gz DAFSQZHQOPRFTN-UHFFFAOYSA-N -1 3 414.455 2.160 20 30 HEEDHM N#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000766668097 1079240918 /nfs/dbraw/zinc/24/09/18/1079240918.db2.gz ICMJNJYBIHIHRN-UHFFFAOYSA-N -1 3 422.210 2.451 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000771324772 1079287799 /nfs/dbraw/zinc/28/77/99/1079287799.db2.gz GMWDTKCSABNPAJ-UXLLHSPISA-N -1 3 407.536 2.071 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000771325562 1079288220 /nfs/dbraw/zinc/28/82/20/1079288220.db2.gz SWTKQJHBVHRECR-INMHGKMJSA-N -1 3 407.536 2.215 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCC(=O)OC(C)(C)C ZINC000741697290 1076594678 /nfs/dbraw/zinc/59/46/78/1076594678.db2.gz BWUPVVMTNFEEEE-HNNXBMFYSA-N -1 3 423.535 2.132 20 30 HEEDHM Cc1cnc(CNC(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000742119754 1076748222 /nfs/dbraw/zinc/74/82/22/1076748222.db2.gz JLMXZTNTOTYDJU-AWEZNQCLSA-N -1 3 406.533 2.221 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1ccc(OC)cn1 ZINC000742133483 1076750362 /nfs/dbraw/zinc/75/03/62/1076750362.db2.gz BIQPCGSGMRXCLA-HNNXBMFYSA-N -1 3 402.476 2.326 20 30 HEEDHM COc1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC000742468454 1076842473 /nfs/dbraw/zinc/84/24/73/1076842473.db2.gz UOTKLPFRXYHSOB-GFCCVEGCSA-N -1 3 403.460 2.160 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccc(N2CCCC2)cn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742531831 1076848181 /nfs/dbraw/zinc/84/81/81/1076848181.db2.gz ORIIKUWSDLXINT-AWEZNQCLSA-N -1 3 413.503 2.138 20 30 HEEDHM Cc1cc([C@@H]2CCCN2C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)on1 ZINC000742542946 1076850240 /nfs/dbraw/zinc/85/02/40/1076850240.db2.gz BEEGTFDUETYRKN-WFASDCNBSA-N -1 3 402.476 2.164 20 30 HEEDHM CCN(CC)c1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742545805 1076850690 /nfs/dbraw/zinc/85/06/90/1076850690.db2.gz KDVNAWHLOXSNLT-AWEZNQCLSA-N -1 3 415.519 2.384 20 30 HEEDHM CCC(=O)Nc1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742547529 1076850934 /nfs/dbraw/zinc/85/09/34/1076850934.db2.gz QMOMZWVUZMEPTK-ZDUSSCGKSA-N -1 3 414.487 2.491 20 30 HEEDHM C[C@@H](CC(=O)NCCc1c(F)cccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742554028 1076851319 /nfs/dbraw/zinc/85/13/19/1076851319.db2.gz UNXXKESVVJQGJX-LBPRGKRZSA-N -1 3 407.442 2.141 20 30 HEEDHM CCCOc1ncccc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742585865 1076853584 /nfs/dbraw/zinc/85/35/84/1076853584.db2.gz MNILXVGIBFIPSW-AWEZNQCLSA-N -1 3 416.503 2.004 20 30 HEEDHM C[C@@H](CC(=O)Nc1cnn(-c2ccccc2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742587657 1076853709 /nfs/dbraw/zinc/85/37/09/1076853709.db2.gz UKHREBMOMONIKM-AWEZNQCLSA-N -1 3 409.471 2.328 20 30 HEEDHM Cc1ccc(OC[C@H](C)NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742590324 1076853757 /nfs/dbraw/zinc/85/37/57/1076853757.db2.gz QLKLEEHSFDLJFK-HOTGVXAUSA-N -1 3 415.515 2.396 20 30 HEEDHM CC(C)c1nc(CCNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cs1 ZINC000742617453 1076857019 /nfs/dbraw/zinc/85/70/19/1076857019.db2.gz KTRLFUYZEHCQLG-CYBMUJFWSA-N -1 3 420.560 2.443 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccc(-c2ncon2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742619266 1076857032 /nfs/dbraw/zinc/85/70/32/1076857032.db2.gz RPTITVQTABQKRO-LBPRGKRZSA-N -1 3 411.443 2.192 20 30 HEEDHM CCCO[C@@H]1CCCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742650238 1076858127 /nfs/dbraw/zinc/85/81/27/1076858127.db2.gz ZPRLVNAOEZOFMM-HZPDHXFCSA-N -1 3 407.536 2.311 20 30 HEEDHM COc1ccc(CCNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1F ZINC000742631239 1076859297 /nfs/dbraw/zinc/85/92/97/1076859297.db2.gz LWEWGZKAUDEDQP-CYBMUJFWSA-N -1 3 419.478 2.010 20 30 HEEDHM C[C@H](CC(=O)NCCCc1cccc(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742656822 1076861030 /nfs/dbraw/zinc/86/10/30/1076861030.db2.gz KAHROBYTSWHUBT-CQSZACIVSA-N -1 3 403.479 2.392 20 30 HEEDHM C[C@H](CC(=O)N[C@H]1CSc2ccccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742687505 1076866627 /nfs/dbraw/zinc/86/66/27/1076866627.db2.gz JTVUXIZRNCOVSJ-DOMZBBRYSA-N -1 3 401.513 2.467 20 30 HEEDHM C[C@H](CC(=O)NC[C@@H](C)Oc1ccccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742731364 1076871115 /nfs/dbraw/zinc/87/11/15/1076871115.db2.gz KXAQAPRTRWWBMP-ZIAGYGMSSA-N -1 3 419.478 2.227 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2nc(C(C)(C)C)no2)ccc1F ZINC000742919828 1076897894 /nfs/dbraw/zinc/89/78/94/1076897894.db2.gz SGZZDJZJLHRBRN-LLVKDONJSA-N -1 3 410.471 2.462 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1cnn(CC2CC2)c1 ZINC000742964312 1076909753 /nfs/dbraw/zinc/90/97/53/1076909753.db2.gz SYIRWZZVVZOKMQ-QGZVFWFLSA-N -1 3 415.519 2.385 20 30 HEEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cccc(OCC(=O)N(C)C)c1 ZINC000743448250 1077051347 /nfs/dbraw/zinc/05/13/47/1077051347.db2.gz GPVLKAMVSSZLMQ-UHFFFAOYSA-N -1 3 403.504 2.040 20 30 HEEDHM COC(=O)c1cc(C)ccc1OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744108244 1077318405 /nfs/dbraw/zinc/31/84/05/1077318405.db2.gz 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CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CC1CCOCC1 ZINC000767913342 1080225725 /nfs/dbraw/zinc/22/57/25/1080225725.db2.gz GQXMBAWRCXZEMO-QGZVFWFLSA-N -1 3 407.536 2.025 20 30 HEEDHM C[C@H](CC(=O)N1CC2(CCCC2)OC(C)(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000785850546 1080280692 /nfs/dbraw/zinc/28/06/92/1080280692.db2.gz XLHIRTBTCKEJIU-OAHLLOKOSA-N -1 3 419.547 2.454 20 30 HEEDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC1CCN(CC#N)CC1 ZINC000769430024 1081071063 /nfs/dbraw/zinc/07/10/63/1081071063.db2.gz CZWGICCTBMCENP-UHFFFAOYSA-N -1 3 420.304 2.111 20 30 HEEDHM Cc1cccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1Br ZINC000769490307 1081081848 /nfs/dbraw/zinc/08/18/48/1081081848.db2.gz QWCKRFJNZGHLKX-UHFFFAOYSA-N -1 3 408.277 2.435 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[S@](=O)C(CC)(CC)C2)ccc1F ZINC000769629929 1081147695 /nfs/dbraw/zinc/14/76/95/1081147695.db2.gz GAPUWMLDNKHQOW-SANMLTNESA-N -1 3 416.540 2.053 20 30 HEEDHM C[C@H](CC(=O)OCc1ccn(-c2ccccc2)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745494805 1078509941 /nfs/dbraw/zinc/50/99/41/1078509941.db2.gz BDZCWBPSQZVGQP-OAHLLOKOSA-N -1 3 424.482 2.433 20 30 HEEDHM COc1ccc(CCOC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000745496367 1078511236 /nfs/dbraw/zinc/51/12/36/1078511236.db2.gz LUVJVIODPCZLFO-AWEZNQCLSA-N -1 3 402.472 2.298 20 30 HEEDHM C[C@H](CC(=O)OCc1cc(-c2ccco2)on1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496863 1078512953 /nfs/dbraw/zinc/51/29/53/1078512953.db2.gz OLFHGGHUTPBULK-GFCCVEGCSA-N -1 3 415.427 2.495 20 30 HEEDHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)Nc2cnn(CC#N)c2)c1[O-] ZINC000769737255 1078553710 /nfs/dbraw/zinc/55/37/10/1078553710.db2.gz DGVQJIROADTOFV-UHFFFAOYSA-N -1 3 415.409 2.469 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCCOc1ccc(F)cc1Cl ZINC000769785003 1078564326 /nfs/dbraw/zinc/56/43/26/1078564326.db2.gz SUJFIOBXCJNKIT-UHFFFAOYSA-N -1 3 412.826 2.140 20 30 HEEDHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCOC[C@H]3C#N)c2)c1 ZINC000769921958 1078636932 /nfs/dbraw/zinc/63/69/32/1078636932.db2.gz NPSOIQKJERLFMS-OAHLLOKOSA-N -1 3 411.414 2.026 20 30 HEEDHM Cc1ccc(N(CCC#N)C(=O)COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1C ZINC000770101348 1078724564 /nfs/dbraw/zinc/72/45/64/1078724564.db2.gz TYQDKMBYWUHQNP-GOSISDBHSA-N -1 3 423.535 2.057 20 30 HEEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000770110038 1078733519 /nfs/dbraw/zinc/73/35/19/1078733519.db2.gz BEJJYNLOVLLVBE-RDJZCZTQSA-N -1 3 423.535 2.137 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCc1cc(C)nn1C ZINC000766422316 1078974422 /nfs/dbraw/zinc/97/44/22/1078974422.db2.gz URFBOQKHCFAWDS-MRXNPFEDSA-N -1 3 404.492 2.069 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCN3CCOc4cccc2c43)ccc1F ZINC000770925616 1079082608 /nfs/dbraw/zinc/08/26/08/1079082608.db2.gz FMQOLYGFPABNCY-UHFFFAOYSA-N -1 3 417.462 2.149 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)c2c(F)cccc2F)ccc1F ZINC000771071604 1079127211 /nfs/dbraw/zinc/12/72/11/1079127211.db2.gz RBQUHQKOJWJNER-OAHLLOKOSA-N -1 3 414.405 2.032 20 30 HEEDHM Cc1ncc(CO)c(/C=N\CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1[O-] ZINC000766671707 1079244302 /nfs/dbraw/zinc/24/43/02/1079244302.db2.gz KBNCVFSNUFSSCG-NKVSQWTQSA-N -1 3 418.393 2.379 20 30 HEEDHM CCCC[C@H](N=C1[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000766692518 1079282441 /nfs/dbraw/zinc/28/24/41/1079282441.db2.gz PCQMOGJWFOGQOL-CVEARBPZSA-N -1 3 415.519 2.201 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)ccc1F ZINC000766242187 1076100592 /nfs/dbraw/zinc/10/05/92/1076100592.db2.gz FOBVOMJUHOLOAY-OAHLLOKOSA-N -1 3 424.416 2.065 20 30 HEEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(N3CCCCC3)n2)cc1OC ZINC000740534304 1076187931 /nfs/dbraw/zinc/18/79/31/1076187931.db2.gz FYXDBXCSILZWTJ-OAHLLOKOSA-N -1 3 409.446 2.445 20 30 HEEDHM CCCOC(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000741827496 1076647611 /nfs/dbraw/zinc/64/76/11/1076647611.db2.gz AHPXZYSNPWNYSD-DZGCQCFKSA-N -1 3 410.492 2.025 20 30 HEEDHM Cc1cnc(CNC(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000742119757 1076748162 /nfs/dbraw/zinc/74/81/62/1076748162.db2.gz JLMXZTNTOTYDJU-CQSZACIVSA-N -1 3 406.533 2.221 20 30 HEEDHM CC(=O)Nc1ccc(OC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742493285 1076844724 /nfs/dbraw/zinc/84/47/24/1076844724.db2.gz MRZKUKRVAVDWSM-LBPRGKRZSA-N -1 3 401.444 2.068 20 30 HEEDHM C[C@@H](CC(=O)N(C)Cc1ccccc1[N+](=O)[O-])/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742530427 1076848052 /nfs/dbraw/zinc/84/80/52/1076848052.db2.gz QXTYBPKCXROGHT-ZDUSSCGKSA-N -1 3 416.459 2.071 20 30 HEEDHM CC(C)N(Cc1ccccn1)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742561771 1076849284 /nfs/dbraw/zinc/84/92/84/1076849284.db2.gz MEGNEZGFPYMMMX-OAHLLOKOSA-N -1 3 400.504 2.336 20 30 HEEDHM C[C@H](CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742556376 1076851481 /nfs/dbraw/zinc/85/14/81/1076851481.db2.gz UQHUWTIUHWFLQX-CHWSQXEVSA-N -1 3 416.459 2.289 20 30 HEEDHM C[C@H](CC(=O)N[C@H](C)Cc1ccccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742572841 1076852642 /nfs/dbraw/zinc/85/26/42/1076852642.db2.gz IETZTGICCAFBMF-ZIAGYGMSSA-N -1 3 403.479 2.390 20 30 HEEDHM Cc1cc(C)cc(OCCNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742579480 1076853098 /nfs/dbraw/zinc/85/30/98/1076853098.db2.gz ZVELBHYYWCYHGO-INIZCTEOSA-N -1 3 415.515 2.316 20 30 HEEDHM CC(C)Oc1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742566426 1076854016 /nfs/dbraw/zinc/85/40/16/1076854016.db2.gz HARULSKBGPKPPV-CYBMUJFWSA-N -1 3 402.476 2.325 20 30 HEEDHM CC(C)COC1CCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000742566916 1076854149 /nfs/dbraw/zinc/85/41/49/1076854149.db2.gz RLVSBOKUYOMPNH-OAHLLOKOSA-N -1 3 407.536 2.167 20 30 HEEDHM CC(C)n1cc([C@@H](C)NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742666408 1076862008 /nfs/dbraw/zinc/86/20/08/1076862008.db2.gz HRJCUSUXFUSTRN-ZIAGYGMSSA-N -1 3 403.508 2.159 20 30 HEEDHM C[C@H](CC(=O)N[C@H]1CCOc2ccc(F)cc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742656510 1076865219 /nfs/dbraw/zinc/86/52/19/1076865219.db2.gz GRTKFBKHEBZBPH-WBMJQRKESA-N -1 3 417.462 2.283 20 30 HEEDHM C[C@H](CC(=O)Nc1cccc(C[S@@](C)=O)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742683445 1076866095 /nfs/dbraw/zinc/86/60/95/1076866095.db2.gz OWOQEPKYLPQBMT-PFUSGODGSA-N -1 3 419.528 2.021 20 30 HEEDHM C[C@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742693127 1076867335 /nfs/dbraw/zinc/86/73/35/1076867335.db2.gz MJJFPOMKRFSXTB-GFCCVEGCSA-N -1 3 414.443 2.001 20 30 HEEDHM C#CCOc1ccc(F)cc1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742706479 1076869376 /nfs/dbraw/zinc/86/93/76/1076869376.db2.gz FNDXNKFXWSSVCT-ZDUSSCGKSA-N -1 3 415.446 2.294 20 30 HEEDHM CC[C@H](C)[C@](C)(O)CNC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743757554 1077101340 /nfs/dbraw/zinc/10/13/40/1077101340.db2.gz RWYSRUSQWCRJRS-YYFZDKIDSA-N -1 3 409.552 2.053 20 30 HEEDHM C[C@H](CC(=O)[C@H](C#N)c1nc2ccccc2n1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744010765 1077303364 /nfs/dbraw/zinc/30/33/64/1077303364.db2.gz ORDQOSFHACJILY-HIFRSBDPSA-N -1 3 421.482 2.267 20 30 HEEDHM C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744010244 1077303677 /nfs/dbraw/zinc/30/36/77/1077303677.db2.gz DZKNTEPVFWQGIP-TZMCWYRMSA-N -1 3 407.455 2.256 20 30 HEEDHM COc1ccc(OC)c(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744047992 1077307700 /nfs/dbraw/zinc/30/77/00/1077307700.db2.gz PFIUEOMAMQJZPI-ZDUSSCGKSA-N -1 3 418.471 2.264 20 30 HEEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cn(Cc3ccccn3)nn2)cc1Cl ZINC000744033361 1077309579 /nfs/dbraw/zinc/30/95/79/1077309579.db2.gz SMXQLDOHXWTKAD-AWEZNQCLSA-N -1 3 410.821 2.345 20 30 HEEDHM COc1cc(C#N)ccc1COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766901375 1079514049 /nfs/dbraw/zinc/51/40/49/1079514049.db2.gz XOHYAEHZVMWRSW-CYBMUJFWSA-N -1 3 413.455 2.127 20 30 HEEDHM [O-]c1c(Br)cc(Br)cc1/C=N\C[C@H]1CN2CCN1CC2 ZINC000746523363 1079671405 /nfs/dbraw/zinc/67/14/05/1079671405.db2.gz VPFMAEPZOPDPGS-MSBCHBQFSA-N -1 3 403.118 2.336 20 30 HEEDHM CCOC(=O)[C@]1(CCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCC1=O ZINC000767273747 1079771081 /nfs/dbraw/zinc/77/10/81/1079771081.db2.gz HEYXVRDLVFTDIT-NRFANRHFSA-N -1 3 402.447 2.444 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)ccc1F ZINC000772241103 1079783104 /nfs/dbraw/zinc/78/31/04/1079783104.db2.gz FUMNJJOOVWKTRW-OAHLLOKOSA-N -1 3 417.462 2.146 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)OC)ccc1F ZINC000772380736 1079855130 /nfs/dbraw/zinc/85/51/30/1079855130.db2.gz ZGKGWQBVAOAQPB-IFXJQAMLSA-N -1 3 412.483 2.142 20 30 HEEDHM COc1cc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1Br ZINC000746550495 1080005822 /nfs/dbraw/zinc/00/58/22/1080005822.db2.gz RFAIQKWKKTTXTR-UHFFFAOYSA-N -1 3 424.276 2.135 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](CCO)c2ccccc2)ccc1F ZINC000767804336 1080108084 /nfs/dbraw/zinc/10/80/84/1080108084.db2.gz FGCLZHKYARTWKL-GOSISDBHSA-N -1 3 406.479 2.486 20 30 HEEDHM C[C@@H](CC(=O)NCc1ccccc1-n1cccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742589003 1080258622 /nfs/dbraw/zinc/25/86/22/1080258622.db2.gz KGKFJEXOGMIBCM-HNNXBMFYSA-N -1 3 423.498 2.006 20 30 HEEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(Cc3noc(C)n3)nn2)cc1 ZINC000786312698 1080557798 /nfs/dbraw/zinc/55/77/98/1080557798.db2.gz GWDYFHBGWAAFMV-BLLLJJGKSA-N -1 3 407.434 2.493 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](COC)Cc2ccccc2)ccc1F ZINC000746581103 1080563363 /nfs/dbraw/zinc/56/33/63/1080563363.db2.gz LVYDBQYHHJDDKW-KRWDZBQOSA-N -1 3 406.479 2.278 20 30 HEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[C@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000787060723 1081000707 /nfs/dbraw/zinc/00/07/07/1081000707.db2.gz MONKZHKSXVCKQI-SFHVURJKSA-N -1 3 421.413 2.142 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@H]2c2ncon2)ccc1F ZINC000787260864 1081076265 /nfs/dbraw/zinc/07/62/65/1081076265.db2.gz JHWHTPWTOFXOIH-HNNXBMFYSA-N -1 3 408.455 2.431 20 30 HEEDHM C[C@H](CC(=O)N1CCCCC[C@H]1c1ncon1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000787260630 1081076287 /nfs/dbraw/zinc/07/62/87/1081076287.db2.gz AWPUBZTVBIAJLH-HIFRSBDPSA-N -1 3 417.491 2.031 20 30 HEEDHM C[C@@H](CC(=O)OCc1ccn(-c2ccccc2)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745494804 1078509763 /nfs/dbraw/zinc/50/97/63/1078509763.db2.gz BDZCWBPSQZVGQP-HNNXBMFYSA-N -1 3 424.482 2.433 20 30 HEEDHM C[C@@H](CC(=O)OCc1cc(-c2ccco2)on1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496865 1078512719 /nfs/dbraw/zinc/51/27/19/1078512719.db2.gz OLFHGGHUTPBULK-LBPRGKRZSA-N -1 3 415.427 2.495 20 30 HEEDHM CCS(=O)(=O)c1ccc(N2CCC(/N=C/c3c([O-])c(C)ncc3CO)CC2)cc1 ZINC000746340410 1078866414 /nfs/dbraw/zinc/86/64/14/1078866414.db2.gz IHJCSZXXYRYXBI-YDZHTSKRSA-N -1 3 417.531 2.469 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cnc(C(=O)OCC)s2)ccc1F ZINC000766517921 1079064554 /nfs/dbraw/zinc/06/45/54/1079064554.db2.gz KFDJSUOWMUTKEN-UHFFFAOYSA-N -1 3 413.452 2.176 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(CNC(=O)OC(C)(C)C)no2)ccc1F ZINC000766910424 1079502464 /nfs/dbraw/zinc/50/24/64/1079502464.db2.gz PBWRTCIAFGDIDP-UHFFFAOYSA-N -1 3 412.443 2.365 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ccccn3)c2)ccc1F ZINC000739658862 1076069603 /nfs/dbraw/zinc/06/96/03/1076069603.db2.gz UNMMUKKHPNDWLQ-UHFFFAOYSA-N -1 3 401.423 2.123 20 30 HEEDHM COC(=O)[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000740237211 1076130388 /nfs/dbraw/zinc/13/03/88/1076130388.db2.gz SLNDYXRDLKSEIP-MRXNPFEDSA-N -1 3 406.391 2.140 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)ccc1F ZINC000740731774 1076218830 /nfs/dbraw/zinc/21/88/30/1076218830.db2.gz JRYAVPRXAOIIOY-INIZCTEOSA-N -1 3 420.510 2.355 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1cc(CC)no1 ZINC000741216173 1076407874 /nfs/dbraw/zinc/40/78/74/1076407874.db2.gz BRMKLRLMLNQTMR-MRXNPFEDSA-N -1 3 404.492 2.151 20 30 HEEDHM C#CCOc1ccc(F)cc1NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000741645954 1076568634 /nfs/dbraw/zinc/56/86/34/1076568634.db2.gz OFCYFCDRTWOMAU-UHFFFAOYSA-N -1 3 414.437 2.050 20 30 HEEDHM N#Cc1ccc(OCCNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1 ZINC000742104046 1076742965 /nfs/dbraw/zinc/74/29/65/1076742965.db2.gz GEVDZIHPWCRPEQ-UHFFFAOYSA-N -1 3 421.425 2.086 20 30 HEEDHM COc1cc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc(OC)c1 ZINC000742469744 1076842479 /nfs/dbraw/zinc/84/24/79/1076842479.db2.gz GVODIFXKLAZLJH-LBPRGKRZSA-N -1 3 403.460 2.160 20 30 HEEDHM C[C@@H](CC(=O)NCCCOc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742499854 1076845514 /nfs/dbraw/zinc/84/55/14/1076845514.db2.gz XQNQDPRXZMTRKC-HNNXBMFYSA-N -1 3 401.488 2.089 20 30 HEEDHM C[C@H](CC(=O)NCc1ccc(OC(F)F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742486297 1076846750 /nfs/dbraw/zinc/84/67/50/1076846750.db2.gz UDJMCIHUILXGTE-GFCCVEGCSA-N -1 3 423.441 2.422 20 30 HEEDHM C[C@@H](CC(=O)NCc1ccc(OC(F)F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742486298 1076846777 /nfs/dbraw/zinc/84/67/77/1076846777.db2.gz UDJMCIHUILXGTE-LBPRGKRZSA-N -1 3 423.441 2.422 20 30 HEEDHM C[C@H](CC(=O)Nc1cccc(-n2cccn2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742540335 1076849805 /nfs/dbraw/zinc/84/98/05/1076849805.db2.gz KPHRQIZAKVHSFY-CQSZACIVSA-N -1 3 409.471 2.328 20 30 HEEDHM Cc1cccc(C)c1OCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742544961 1076850541 /nfs/dbraw/zinc/85/05/41/1076850541.db2.gz ZDUQBULULOTKKE-INIZCTEOSA-N -1 3 415.515 2.316 20 30 HEEDHM Cc1cccc(C)c1OCCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742544964 1076850578 /nfs/dbraw/zinc/85/05/78/1076850578.db2.gz ZDUQBULULOTKKE-MRXNPFEDSA-N -1 3 415.515 2.316 20 30 HEEDHM Cc1nccn1-c1ncccc1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742552997 1076851308 /nfs/dbraw/zinc/85/13/08/1076851308.db2.gz BOOZWLGSBJGKFY-CYBMUJFWSA-N -1 3 424.486 2.032 20 30 HEEDHM Cc1nc(-c2cccc(NC(=O)C[C@H](C)N=C3[N-]S(=O)(=O)c4ccccc43)c2)n[nH]1 ZINC000742562375 1076852201 /nfs/dbraw/zinc/85/22/01/1076852201.db2.gz GTPXTMUFYGELCM-LBPRGKRZSA-N -1 3 424.486 2.236 20 30 HEEDHM C[C@H](CC(=O)Nc1nccn1Cc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742571138 1076852332 /nfs/dbraw/zinc/85/23/32/1076852332.db2.gz XIBVSYGUGZFGTN-OAHLLOKOSA-N -1 3 423.498 2.387 20 30 HEEDHM C[C@@H](CC(=O)N(C)CCc1ccc(F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742578046 1076852972 /nfs/dbraw/zinc/85/29/72/1076852972.db2.gz KFJWJFZEWAGQPU-AWEZNQCLSA-N -1 3 403.479 2.344 20 30 HEEDHM COc1cc(F)c(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC000742647617 1076857948 /nfs/dbraw/zinc/85/79/48/1076857948.db2.gz GTAQJHRSTZVGDN-NSHDSACASA-N -1 3 421.450 2.299 20 30 HEEDHM C[C@H](CC(=O)N(C[C@H]1CCCO1)C1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742711817 1076865876 /nfs/dbraw/zinc/86/58/76/1076865876.db2.gz LEUXOUMOQFZHQL-NVXWUHKLSA-N -1 3 419.547 2.454 20 30 HEEDHM C[C@H](CC(=O)N(C[C@@H]1CCCO1)C1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742711819 1076865891 /nfs/dbraw/zinc/86/58/91/1076865891.db2.gz LEUXOUMOQFZHQL-WBVHZDCISA-N -1 3 419.547 2.454 20 30 HEEDHM Cc1cccc(O[C@H](C)CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742713208 1076866088 /nfs/dbraw/zinc/86/60/88/1076866088.db2.gz UOECBEQJCJGDEO-JKSUJKDBSA-N -1 3 415.515 2.396 20 30 HEEDHM Cc1ccc([C@@H]2COCCN2C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)o1 ZINC000742685013 1076866339 /nfs/dbraw/zinc/86/63/39/1076866339.db2.gz LRSUTIKFAXWGAL-BBRMVZONSA-N -1 3 417.487 2.005 20 30 HEEDHM Cc1ccc([C@@H]2COCCN2C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)o1 ZINC000742685015 1076866656 /nfs/dbraw/zinc/86/66/56/1076866656.db2.gz LRSUTIKFAXWGAL-CJNGLKHVSA-N -1 3 417.487 2.005 20 30 HEEDHM C[C@H](CC(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742687106 1076866670 /nfs/dbraw/zinc/86/66/70/1076866670.db2.gz DQKUDMFAUQOVLX-VCBZYWHSSA-N -1 3 421.563 2.461 20 30 HEEDHM C#CCOc1cc(F)ccc1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742706123 1076869365 /nfs/dbraw/zinc/86/93/65/1076869365.db2.gz BGLOGVZBYDUXAC-CYBMUJFWSA-N -1 3 415.446 2.294 20 30 HEEDHM COC(=O)c1cccc(NC(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000742734179 1076871805 /nfs/dbraw/zinc/87/18/05/1076871805.db2.gz QFOMZIJVONOGHI-UHFFFAOYSA-N -1 3 411.414 2.177 20 30 HEEDHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c([O-])c1 ZINC000743737598 1077106944 /nfs/dbraw/zinc/10/69/44/1077106944.db2.gz PTTKDIXMDWVRCG-UHFFFAOYSA-N -1 3 422.485 2.292 20 30 HEEDHM C[C@@H](CC(=O)OCc1ccc2c(c1)OCCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744070833 1077312545 /nfs/dbraw/zinc/31/25/45/1077312545.db2.gz BKMMJSJADIHIOH-ZDUSSCGKSA-N -1 3 416.455 2.018 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCN2c3ccccc3C[C@H]2C)ccc1F ZINC000744080738 1077314658 /nfs/dbraw/zinc/31/46/58/1077314658.db2.gz SLCDTYGNGFBNJJ-OAHLLOKOSA-N -1 3 417.506 2.471 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCOc1cccnc1 ZINC000744143191 1077329935 /nfs/dbraw/zinc/32/99/35/1077329935.db2.gz NQGJHLDEDYWZII-KRWDZBQOSA-N -1 3 417.487 2.301 20 30 HEEDHM COc1cccc([C@@]2(C)NC(=O)N(N=Cc3cc(OC)c([O-])cc3[N+](=O)[O-])C2=O)c1 ZINC000767168962 1079703669 /nfs/dbraw/zinc/70/36/69/1079703669.db2.gz QWUYSRVYNGGXPL-LJQANCHMSA-N -1 3 414.374 2.119 20 30 HEEDHM CC[C@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)CC2(C#N)CCCCC2)C1=O ZINC000767552791 1079927220 /nfs/dbraw/zinc/92/72/20/1079927220.db2.gz YFWAHJKUGXURBO-LJQANCHMSA-N -1 3 404.492 2.152 20 30 HEEDHM CC[C@]1(C)CN(C(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCO1 ZINC000785673464 1080191277 /nfs/dbraw/zinc/19/12/77/1080191277.db2.gz PHOYYYAWBOYCBS-OXQOHEQNSA-N -1 3 407.536 2.167 20 30 HEEDHM C[C@H](CC(=O)NCc1ccccc1-n1cccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742589005 1080258528 /nfs/dbraw/zinc/25/85/28/1080258528.db2.gz KGKFJEXOGMIBCM-OAHLLOKOSA-N -1 3 423.498 2.006 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC12CCOCC2 ZINC000768000651 1080268174 /nfs/dbraw/zinc/26/81/74/1080268174.db2.gz GHXNDMFSYBSPIL-MRXNPFEDSA-N -1 3 405.520 2.065 20 30 HEEDHM Cc1nc(Cn2nnc(C([O-])=C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2C)no1 ZINC000786307211 1080555256 /nfs/dbraw/zinc/55/52/56/1080555256.db2.gz HOCXSBCTZIWROL-LLVKDONJSA-N -1 3 417.788 2.080 20 30 HEEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1nnn(Cc2noc(C)n2)c1C ZINC000786313241 1080558593 /nfs/dbraw/zinc/55/85/93/1080558593.db2.gz QAFRIYHIQLQDGK-MRXNPFEDSA-N -1 3 421.461 2.412 20 30 HEEDHM C[C@@H](CC(=O)N1CCc2cc(F)ccc2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768536980 1080616376 /nfs/dbraw/zinc/61/63/76/1080616376.db2.gz KOFKLOCRXBGSKE-ZDUSSCGKSA-N -1 3 401.463 2.228 20 30 HEEDHM COC[C@@H]1CCCCN(C(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000768665846 1080706470 /nfs/dbraw/zinc/70/64/70/1080706470.db2.gz YTRHMWZNGOWADJ-AEFFLSMTSA-N -1 3 421.563 2.415 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccnc2-c2cnn(C)c2)ccc1F ZINC000786675815 1080774432 /nfs/dbraw/zinc/77/44/32/1080774432.db2.gz FJYTWXFFDWKDHL-UHFFFAOYSA-N -1 3 415.450 2.338 20 30 HEEDHM CC(C)CC[C@](C)(O)CNC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743775286 1080795355 /nfs/dbraw/zinc/79/53/55/1080795355.db2.gz KRXVLXUZRWQCFF-UWJYYQICSA-N -1 3 423.579 2.443 20 30 HEEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn2cc(Br)cnc12 ZINC000770098711 1078722484 /nfs/dbraw/zinc/72/24/84/1078722484.db2.gz GYDHHVLQOYLXDS-NSHDSACASA-N -1 3 414.219 2.462 20 30 HEEDHM CN(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000770846507 1079035362 /nfs/dbraw/zinc/03/53/62/1079035362.db2.gz KGRYQICPXUMLOH-GFCCVEGCSA-N -1 3 424.841 2.086 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCC(C)(C)CO ZINC000771628650 1079414411 /nfs/dbraw/zinc/41/44/11/1079414411.db2.gz AEONEIAXAPGSFA-INIZCTEOSA-N -1 3 409.552 2.055 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](O)c2cccc(F)c2)ccc1F ZINC000771738433 1079472855 /nfs/dbraw/zinc/47/28/55/1079472855.db2.gz PHXATUSBQCLCCR-KZULUSFZSA-N -1 3 410.442 2.281 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1ccn(C(C)C)n1 ZINC000737957749 1075947491 /nfs/dbraw/zinc/94/74/91/1075947491.db2.gz SNMSNIILRIEJJQ-KRWDZBQOSA-N -1 3 417.535 2.234 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCC1(c2cccc(Cl)c2)CC1 ZINC000739612358 1076074565 /nfs/dbraw/zinc/07/45/65/1076074565.db2.gz MHJWASCKVHSEOA-UHFFFAOYSA-N -1 3 403.891 2.227 20 30 HEEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000741163962 1076390656 /nfs/dbraw/zinc/39/06/56/1076390656.db2.gz ZSHVKQNTHWDKCA-UHFFFAOYSA-N -1 3 407.517 2.070 20 30 HEEDHM Cc1ccccc1[C@@H]1CN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)[C@H](C)CO1 ZINC000741987778 1076704326 /nfs/dbraw/zinc/70/43/26/1076704326.db2.gz FESIDFPLGYURAQ-QAPCUYQASA-N -1 3 413.499 2.022 20 30 HEEDHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000742131564 1076749651 /nfs/dbraw/zinc/74/96/51/1076749651.db2.gz KVOVFIDNFZZKRF-DYVFJYSZSA-N -1 3 401.463 2.474 20 30 HEEDHM Cc1c(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000742469033 1076842547 /nfs/dbraw/zinc/84/25/47/1076842547.db2.gz MECQEYIDCPXIJT-LLVKDONJSA-N -1 3 402.432 2.359 20 30 HEEDHM CC(=O)Nc1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1C ZINC000742518726 1076847289 /nfs/dbraw/zinc/84/72/89/1076847289.db2.gz OXPFZZURGSWTQN-CYBMUJFWSA-N -1 3 414.487 2.409 20 30 HEEDHM C[C@H](CC(=O)N(C)Cc1ccccc1[N+](=O)[O-])/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742530426 1076848035 /nfs/dbraw/zinc/84/80/35/1076848035.db2.gz QXTYBPKCXROGHT-CYBMUJFWSA-N -1 3 416.459 2.071 20 30 HEEDHM COC(=O)c1cc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1F ZINC000742513164 1076848897 /nfs/dbraw/zinc/84/88/97/1076848897.db2.gz ZXMKLFJGRFZJMI-NSHDSACASA-N -1 3 419.434 2.068 20 30 HEEDHM C[C@@H](CC(=O)NCc1ccc(-n2cccn2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742539508 1076849876 /nfs/dbraw/zinc/84/98/76/1076849876.db2.gz YQBLBIALXMJQML-HNNXBMFYSA-N -1 3 423.498 2.006 20 30 HEEDHM CC(C)Oc1ncccc1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742546073 1076850736 /nfs/dbraw/zinc/85/07/36/1076850736.db2.gz KLRQLKHUAJPUPK-CYBMUJFWSA-N -1 3 402.476 2.325 20 30 HEEDHM CCOc1cccc(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742546164 1076850744 /nfs/dbraw/zinc/85/07/44/1076850744.db2.gz NDRANRPCJLFRRG-AWEZNQCLSA-N -1 3 401.488 2.219 20 30 HEEDHM CC(=O)Nc1cc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1C ZINC000742547902 1076850832 /nfs/dbraw/zinc/85/08/32/1076850832.db2.gz UXGRFTIKBMVWMC-ZDUSSCGKSA-N -1 3 414.487 2.409 20 30 HEEDHM Cc1ccccc1OCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742567151 1076854101 /nfs/dbraw/zinc/85/41/01/1076854101.db2.gz MSBPSSOTQLBONR-HNNXBMFYSA-N -1 3 401.488 2.007 20 30 HEEDHM CC(C)Cc1cc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n(C)n1 ZINC000742601261 1076854974 /nfs/dbraw/zinc/85/49/74/1076854974.db2.gz NORINJXYXUNFSH-CYBMUJFWSA-N -1 3 403.508 2.074 20 30 HEEDHM CCCN(C[C@@H]1CCCCO1)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742645944 1076857396 /nfs/dbraw/zinc/85/73/96/1076857396.db2.gz ABVQRVCOANRYMU-CVEARBPZSA-N -1 3 407.536 2.311 20 30 HEEDHM CC(C)n1cc([C@H](C)NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742666406 1076862050 /nfs/dbraw/zinc/86/20/50/1076862050.db2.gz HRJCUSUXFUSTRN-KGLIPLIRSA-N -1 3 403.508 2.159 20 30 HEEDHM Cc1csc(C2(NC(=O)C[C@@H](C)/N=C3/[N-]S(=O)(=O)c4ccccc43)CCC2)n1 ZINC000742679988 1076864498 /nfs/dbraw/zinc/86/44/98/1076864498.db2.gz JBJDLAQARBJHPK-GFCCVEGCSA-N -1 3 418.544 2.464 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000742713981 1076873539 /nfs/dbraw/zinc/87/35/39/1076873539.db2.gz BWOOSIWJFMHGRL-UHFFFAOYSA-N -1 3 416.890 2.219 20 30 HEEDHM C[C@@H](CC(=O)Nc1nc2c(s1)C(=O)CCC2)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000743331457 1077029630 /nfs/dbraw/zinc/02/96/30/1077029630.db2.gz XQAGDSFZVCFNCW-JTQLQIEISA-N -1 3 418.500 2.118 20 30 HEEDHM C[C@@H](CC(=O)OCc1ccc([N+](=O)[O-])cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744049225 1077307661 /nfs/dbraw/zinc/30/76/61/1077307661.db2.gz RWAFCUVEPUFSHV-LBPRGKRZSA-N -1 3 403.416 2.155 20 30 HEEDHM C#CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000744035045 1077310533 /nfs/dbraw/zinc/31/05/33/1077310533.db2.gz NDFWEDCZSQYZHB-HNNXBMFYSA-N -1 3 421.365 2.339 20 30 HEEDHM COc1ccc(OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC000744321221 1077363239 /nfs/dbraw/zinc/36/32/39/1077363239.db2.gz MRLCYIMBRGCYMU-GFCCVEGCSA-N -1 3 404.444 2.127 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)c1nnc(C)o1 ZINC000744486457 1077414051 /nfs/dbraw/zinc/41/40/51/1077414051.db2.gz DMIFETAVFMUMAM-FZMZJTMJSA-N -1 3 406.464 2.280 20 30 HEEDHM COc1cc(C#N)ccc1COC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766901377 1079514229 /nfs/dbraw/zinc/51/42/29/1079514229.db2.gz XOHYAEHZVMWRSW-ZDUSSCGKSA-N -1 3 413.455 2.127 20 30 HEEDHM Cc1cc(F)ccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)nn1 ZINC000767433160 1079861075 /nfs/dbraw/zinc/86/10/75/1079861075.db2.gz QYYUXDQATFKXCU-HNNXBMFYSA-N -1 3 421.388 2.447 20 30 HEEDHM CC[C@@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)CC2(C#N)CCCCC2)C1=O ZINC000767552790 1079927324 /nfs/dbraw/zinc/92/73/24/1079927324.db2.gz YFWAHJKUGXURBO-IBGZPJMESA-N -1 3 404.492 2.152 20 30 HEEDHM N#C[C@H]1CN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CCN1C1CC1 ZINC000767921594 1080216527 /nfs/dbraw/zinc/21/65/27/1080216527.db2.gz JGGAGXDGHKUBHH-LBPRGKRZSA-N -1 3 406.364 2.239 20 30 HEEDHM N#C[C@@H]1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCN1C1CC1 ZINC000767921632 1080217395 /nfs/dbraw/zinc/21/73/95/1080217395.db2.gz KDHLGJYFYFNASM-CYBMUJFWSA-N -1 3 401.264 2.103 20 30 HEEDHM Cc1cc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)nn1CCC#N ZINC000768052278 1080315618 /nfs/dbraw/zinc/31/56/18/1080315618.db2.gz BTSOTJHSGQSWET-UHFFFAOYSA-N -1 3 409.418 2.076 20 30 HEEDHM C[C@H](CC(=O)N[C@@H]1CCOC2(CCCC2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768377962 1080533704 /nfs/dbraw/zinc/53/37/04/1080533704.db2.gz ZKRPUZKPNISMQK-HUUCEWRRSA-N -1 3 405.520 2.112 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)ccc1F ZINC000768591363 1080670863 /nfs/dbraw/zinc/67/08/63/1080670863.db2.gz FQOHETSPFFJFQG-KDOFPFPSSA-N -1 3 414.524 2.075 20 30 HEEDHM CCn1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c(=O)c2ccccc21 ZINC000786563453 1080691603 /nfs/dbraw/zinc/69/16/03/1080691603.db2.gz IAMRBCPWVGVWRG-AWEZNQCLSA-N -1 3 410.380 2.333 20 30 HEEDHM C[C@H](CC(=O)N[C@H](C)CC(=O)c1ccccc1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000769261809 1081020386 /nfs/dbraw/zinc/02/03/86/1081020386.db2.gz UJRCJHFBMAKKNK-HUUCEWRRSA-N -1 3 413.499 2.281 20 30 HEEDHM C[C@@H](CC(=O)OCc1c(F)cccc1[N+](=O)[O-])/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497505 1078514238 /nfs/dbraw/zinc/51/42/38/1078514238.db2.gz UZVRXKNRTWPGER-NSHDSACASA-N -1 3 421.406 2.294 20 30 HEEDHM Cc1cccc2nc(COC(=O)C[C@H](C)/N=C3/[N-]S(=O)(=O)c4ccccc43)cn21 ZINC000745495262 1078508433 /nfs/dbraw/zinc/50/84/33/1078508433.db2.gz FHFDSBKWOZRPLI-ZDUSSCGKSA-N -1 3 412.471 2.203 20 30 HEEDHM C[C@H](CC(=O)OC[C@@H]1OCCc2ccccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496789 1078511981 /nfs/dbraw/zinc/51/19/81/1078511981.db2.gz PHKYQVOLFWJIOU-KDOFPFPSSA-N -1 3 414.483 2.361 20 30 HEEDHM CC(C)CCc1noc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000745496910 1078512122 /nfs/dbraw/zinc/51/21/22/1078512122.db2.gz OXSGUDMXJYOHBT-ZDUSSCGKSA-N -1 3 420.491 2.219 20 30 HEEDHM CC(C)N(C(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)C ZINC000745496670 1078512597 /nfs/dbraw/zinc/51/25/97/1078512597.db2.gz NSQANHRRNPFDGI-CABCVRRESA-N -1 3 423.535 2.081 20 30 HEEDHM C[C@H](CC(=O)OCCOc1ccc(F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498312 1078512983 /nfs/dbraw/zinc/51/29/83/1078512983.db2.gz VSYBDRFZQGRARD-CYBMUJFWSA-N -1 3 406.435 2.265 20 30 HEEDHM Cc1ccc2nc(COC(=O)C[C@H](C)/N=C3/[N-]S(=O)(=O)c4ccccc43)cn2c1 ZINC000745497907 1078513639 /nfs/dbraw/zinc/51/36/39/1078513639.db2.gz XWLGDJSJZCMQCI-AWEZNQCLSA-N -1 3 412.471 2.203 20 30 HEEDHM COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N3CCOC[C@@H]3C#N)c2)c1 ZINC000769921954 1078636940 /nfs/dbraw/zinc/63/69/40/1078636940.db2.gz NPSOIQKJERLFMS-HNNXBMFYSA-N -1 3 411.414 2.026 20 30 HEEDHM Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1C ZINC000770101396 1078724543 /nfs/dbraw/zinc/72/45/43/1078724543.db2.gz DKQQXVPMODTLIQ-SFHVURJKSA-N -1 3 423.535 2.057 20 30 HEEDHM Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000770110031 1078733067 /nfs/dbraw/zinc/73/30/67/1078733067.db2.gz BEJJYNLOVLLVBE-DOTOQJQBSA-N -1 3 423.535 2.137 20 30 HEEDHM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000770110035 1078733379 /nfs/dbraw/zinc/73/33/79/1078733379.db2.gz BEJJYNLOVLLVBE-NVXWUHKLSA-N -1 3 423.535 2.137 20 30 HEEDHM Cc1ncc(CO)c(/C=N/CCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1[O-] ZINC000766671710 1079244223 /nfs/dbraw/zinc/24/42/23/1079244223.db2.gz KBNCVFSNUFSSCG-ZVBGSRNCSA-N -1 3 418.393 2.379 20 30 HEEDHM C[C@@H](CC(=O)OCC#Cc1ccc(F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771361930 1079304003 /nfs/dbraw/zinc/30/40/03/1079304003.db2.gz MKHZCZPSOPKZIR-AWEZNQCLSA-N -1 3 400.431 2.238 20 30 HEEDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000771383447 1079316648 /nfs/dbraw/zinc/31/66/48/1079316648.db2.gz WBBDYFWSOOIWJO-AWEZNQCLSA-N -1 3 407.410 2.444 20 30 HEEDHM COCc1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC001169560701 1079331573 /nfs/dbraw/zinc/33/15/73/1079331573.db2.gz NFSIXCHZSZPVDG-ZDUSSCGKSA-N -1 3 417.487 2.297 20 30 HEEDHM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1=NN(CC(C)C)C(=O)CC1 ZINC000766847022 1079445828 /nfs/dbraw/zinc/44/58/28/1079445828.db2.gz WQWZTOWHCBAANM-AWEZNQCLSA-N -1 3 414.462 2.334 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)ccc1F ZINC000771678125 1079463509 /nfs/dbraw/zinc/46/35/09/1079463509.db2.gz OTMCNCDSYSHBPV-SGTLLEGYSA-N -1 3 410.442 2.281 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)ccc1F ZINC000742197817 1076784506 /nfs/dbraw/zinc/78/45/06/1076784506.db2.gz AKODBBJQRAGIPF-XGCWNURASA-N -1 3 424.519 2.140 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)ccc1F ZINC000742198564 1076785922 /nfs/dbraw/zinc/78/59/22/1076785922.db2.gz CNPNFWNYYZECML-AREMUKBSSA-N -1 3 414.455 2.419 20 30 HEEDHM Cc1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000742464433 1076841995 /nfs/dbraw/zinc/84/19/95/1076841995.db2.gz GGBNTPQXHBZVHK-GFCCVEGCSA-N -1 3 402.432 2.359 20 30 HEEDHM COc1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC000742468568 1076842447 /nfs/dbraw/zinc/84/24/47/1076842447.db2.gz UOTKLPFRXYHSOB-LBPRGKRZSA-N -1 3 403.460 2.160 20 30 HEEDHM Cc1cccc(OCCN(C)C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742498075 1076845168 /nfs/dbraw/zinc/84/51/68/1076845168.db2.gz FSXCHNORHFNLJS-INIZCTEOSA-N -1 3 415.515 2.350 20 30 HEEDHM C[C@H](CC(=O)NCCCOc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742499855 1076845483 /nfs/dbraw/zinc/84/54/83/1076845483.db2.gz XQNQDPRXZMTRKC-OAHLLOKOSA-N -1 3 401.488 2.089 20 30 HEEDHM Cc1ccc(OCCNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c(C)c1 ZINC000742488613 1076846921 /nfs/dbraw/zinc/84/69/21/1076846921.db2.gz JBNRRLPTJRHUTD-MRXNPFEDSA-N -1 3 415.515 2.316 20 30 HEEDHM COCCN(Cc1cccs1)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742518282 1076846932 /nfs/dbraw/zinc/84/69/32/1076846932.db2.gz ZYPIFTPYERJNQO-AWEZNQCLSA-N -1 3 421.544 2.240 20 30 HEEDHM CCOc1ccc(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742523883 1076847741 /nfs/dbraw/zinc/84/77/41/1076847741.db2.gz HKHXOYLGYSLPNT-CQSZACIVSA-N -1 3 401.488 2.219 20 30 HEEDHM COc1ccc([C@H](C)NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742524138 1076847756 /nfs/dbraw/zinc/84/77/56/1076847756.db2.gz JHAHUZXXZXUSMJ-KBPBESRZSA-N -1 3 401.488 2.390 20 30 HEEDHM C[C@H](CC(=O)Nc1ccccc1-n1ccnc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742527813 1076848071 /nfs/dbraw/zinc/84/80/71/1076848071.db2.gz NNVNAGLEZTZXKM-CQSZACIVSA-N -1 3 409.471 2.328 20 30 HEEDHM COC(=O)Nc1ccc(OC(=O)C[C@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742549521 1076851215 /nfs/dbraw/zinc/85/12/15/1076851215.db2.gz DMSSPLHFTVIBRE-LBPRGKRZSA-N -1 3 417.443 2.288 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccn(Cc2ccccc2)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742553771 1076851312 /nfs/dbraw/zinc/85/13/12/1076851312.db2.gz GYESQFOJFUTXLY-HNNXBMFYSA-N -1 3 423.498 2.387 20 30 HEEDHM COC(=O)Nc1ccc(NC(=O)C[C@@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742554295 1076851370 /nfs/dbraw/zinc/85/13/70/1076851370.db2.gz OAVPPHFLXBSPBF-GFCCVEGCSA-N -1 3 416.459 2.321 20 30 HEEDHM C[C@H](CC(=O)N[C@H]1CCc2cc(F)ccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742577278 1076852989 /nfs/dbraw/zinc/85/29/89/1076852989.db2.gz ANFOACUTUQPZDI-PXAZEXFGSA-N -1 3 401.463 2.447 20 30 HEEDHM C[C@H](CC(=O)NCCc1cc(F)cc(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742605669 1076855627 /nfs/dbraw/zinc/85/56/27/1076855627.db2.gz XAQCJDLLQWNLND-GFCCVEGCSA-N -1 3 407.442 2.141 20 30 HEEDHM COc1ccccc1CCN(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742637607 1076860114 /nfs/dbraw/zinc/86/01/14/1076860114.db2.gz GRQSHGBMIZTGKW-OAHLLOKOSA-N -1 3 415.515 2.213 20 30 HEEDHM C[C@H](CC(=O)NCCc1cccc(F)c1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742665669 1076861954 /nfs/dbraw/zinc/86/19/54/1076861954.db2.gz GFGNYJBECNLXHB-GFCCVEGCSA-N -1 3 407.442 2.141 20 30 HEEDHM COc1cccc(C[C@H](C)NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742668325 1076862358 /nfs/dbraw/zinc/86/23/58/1076862358.db2.gz FFIKLLMYCSKPOK-GJZGRUSLSA-N -1 3 415.515 2.260 20 30 HEEDHM C[C@@H](CC(=O)NCCCNc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742653964 1076864766 /nfs/dbraw/zinc/86/47/66/1076864766.db2.gz VAISZXWRCSGQRM-HNNXBMFYSA-N -1 3 400.504 2.122 20 30 HEEDHM C[C@H](CC(=O)OCc1ccc2c(c1)OCCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744070832 1077312651 /nfs/dbraw/zinc/31/26/51/1077312651.db2.gz BKMMJSJADIHIOH-CYBMUJFWSA-N -1 3 416.455 2.018 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCOc1cccnc1 ZINC000744143175 1077329945 /nfs/dbraw/zinc/32/99/45/1077329945.db2.gz NHSKOSIHUATQMI-KRWDZBQOSA-N -1 3 417.487 2.157 20 30 HEEDHM C[C@H](CC(=O)O[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744187605 1077336867 /nfs/dbraw/zinc/33/68/67/1077336867.db2.gz JGUJAJLMXYTQQD-AXYPVASZSA-N -1 3 406.504 2.251 20 30 HEEDHM N#Cc1ccc(N2CC[C@@H](OC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2=O)cc1 ZINC000767282051 1079806672 /nfs/dbraw/zinc/80/66/72/1079806672.db2.gz DCIZLONUTCKSJN-AZUAARDMSA-N -1 3 419.437 2.217 20 30 HEEDHM C[C@H](CC(=O)N(C)[C@@H](CCO)c1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000767806368 1080088023 /nfs/dbraw/zinc/08/80/23/1080088023.db2.gz HBKLMNMOGRYRAB-QAPCUYQASA-N -1 3 415.515 2.086 20 30 HEEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(OC(F)F)n(C)n2)cc1 ZINC000767960502 1080252612 /nfs/dbraw/zinc/25/26/12/1080252612.db2.gz RSGDRTRCGYLZIU-LBPRGKRZSA-N -1 3 406.345 2.159 20 30 HEEDHM C[C@@H](CC(=O)N1CC2(CCCC2)OC(C)(C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000785850545 1080280762 /nfs/dbraw/zinc/28/07/62/1080280762.db2.gz XLHIRTBTCKEJIU-HNNXBMFYSA-N -1 3 419.547 2.454 20 30 HEEDHM C[C@H](CC(=O)N1CCc2ccc(F)c(F)c2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768374300 1080531480 /nfs/dbraw/zinc/53/14/80/1080531480.db2.gz BLMCQPKFRDDMKY-GFCCVEGCSA-N -1 3 419.453 2.367 20 30 HEEDHM C[C@@H](CC(=O)N1CCC(c2cccnc2)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768513646 1080599777 /nfs/dbraw/zinc/59/97/77/1080599777.db2.gz BXJKKOCTHCHULU-HNNXBMFYSA-N -1 3 412.515 2.305 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769046380 1080893921 /nfs/dbraw/zinc/89/39/21/1080893921.db2.gz YJLDMEABTKNOHR-GFCCVEGCSA-N -1 3 405.426 2.019 20 30 HEEDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cnn(CC(F)(F)F)c2)cc1 ZINC000786928835 1080897534 /nfs/dbraw/zinc/89/75/34/1080897534.db2.gz GIZSUPKPTRXFPF-AWEZNQCLSA-N -1 3 407.352 2.108 20 30 HEEDHM C[C@@H](CC(=O)OCc1cc(C#N)ccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497489 1078514460 /nfs/dbraw/zinc/51/44/60/1078514460.db2.gz UUGYWYROIWCZOF-LBPRGKRZSA-N -1 3 401.419 2.258 20 30 HEEDHM C[C@@H](CC(=O)OCCOc1ccc(F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498313 1078512661 /nfs/dbraw/zinc/51/26/61/1078512661.db2.gz VSYBDRFZQGRARD-ZDUSSCGKSA-N -1 3 406.435 2.265 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nccn3C)C2)ccc1F ZINC000769751057 1078539226 /nfs/dbraw/zinc/53/92/26/1078539226.db2.gz CLMDCMJJZBJKSU-OAHLLOKOSA-N -1 3 406.483 2.043 20 30 HEEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3nccn4c(Br)cnc34)n2)cc1 ZINC000769953023 1078650723 /nfs/dbraw/zinc/65/07/23/1078650723.db2.gz JDWOPINNUNUNCT-UHFFFAOYSA-N -1 3 423.234 2.256 20 30 HEEDHM CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770099483 1078723010 /nfs/dbraw/zinc/72/30/10/1078723010.db2.gz MGAYAOXRWYBPGM-XUDLPTGHSA-N -1 3 422.547 2.374 20 30 HEEDHM Cc1nn(-c2ccccc2)c(COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1C#N ZINC000770110279 1078733007 /nfs/dbraw/zinc/73/30/07/1078733007.db2.gz JHLUBIVCECHTRC-QGZVFWFLSA-N -1 3 404.492 2.060 20 30 HEEDHM C=CCN1C(=S)N=NC1Cc1csc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000770180545 1078750057 /nfs/dbraw/zinc/75/00/57/1078750057.db2.gz UEKYHHDSHYCQBX-UHFFFAOYSA-N -1 3 419.448 2.061 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCc1nncn1CCC ZINC000770904350 1079071804 /nfs/dbraw/zinc/07/18/04/1079071804.db2.gz DOBBPBZINNKESF-HNNXBMFYSA-N -1 3 419.507 2.029 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccc(Br)nc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766695396 1079283530 /nfs/dbraw/zinc/28/35/30/1079283530.db2.gz KPTGPICQDYMXRF-JTQLQIEISA-N -1 3 423.292 2.300 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCN[C@@H](c3ccccc3C)C2)ccc1F ZINC001169830138 1079425184 /nfs/dbraw/zinc/42/51/84/1079425184.db2.gz HFHFPYIQXJDZDA-LJQANCHMSA-N -1 3 417.506 2.385 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)ccc1F ZINC000771678123 1079463566 /nfs/dbraw/zinc/46/35/66/1079463566.db2.gz OTMCNCDSYSHBPV-KPZWWZAWSA-N -1 3 410.442 2.281 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCC(=O)OC(C)(C)C ZINC000741697291 1076595121 /nfs/dbraw/zinc/59/51/21/1076595121.db2.gz BWUPVVMTNFEEEE-OAHLLOKOSA-N -1 3 423.535 2.132 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)C[C@H](C)O)ccc1F ZINC000742183689 1076774174 /nfs/dbraw/zinc/77/41/74/1076774174.db2.gz SFZUTMAJDAZAFI-HNNXBMFYSA-N -1 3 406.479 2.313 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc([S@](C)=O)c(F)c2)ccc1F ZINC000742198566 1076786336 /nfs/dbraw/zinc/78/63/36/1076786336.db2.gz CNPNFWNYYZECML-SANMLTNESA-N -1 3 414.455 2.419 20 30 HEEDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742464665 1076842014 /nfs/dbraw/zinc/84/20/14/1076842014.db2.gz MJDLHFRLQBEMPR-GFCCVEGCSA-N -1 3 402.432 2.359 20 30 HEEDHM COc1ccc(OC)c(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742470301 1076842454 /nfs/dbraw/zinc/84/24/54/1076842454.db2.gz SLUZHRDHAUXHSK-GFCCVEGCSA-N -1 3 403.460 2.160 20 30 HEEDHM C[C@H](CC(=O)NCCCOC1CCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742490188 1076844239 /nfs/dbraw/zinc/84/42/39/1076844239.db2.gz YFPIJRDFINDYHZ-OAHLLOKOSA-N -1 3 407.536 2.359 20 30 HEEDHM C[C@H](CC(=O)Nc1nc2c(s1)CCCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742492231 1076844400 /nfs/dbraw/zinc/84/44/00/1076844400.db2.gz CEBROQBVYWAZNT-LLVKDONJSA-N -1 3 404.517 2.478 20 30 HEEDHM C[C@H](CC(=O)NCCCOc1ccccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742499800 1076845344 /nfs/dbraw/zinc/84/53/44/1076845344.db2.gz CUCFPZSLSUVDRA-CQSZACIVSA-N -1 3 419.478 2.228 20 30 HEEDHM C[C@@H](CC(=O)NCc1nc2ccccc2s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742510737 1076846429 /nfs/dbraw/zinc/84/64/29/1076846429.db2.gz QDEJYMNZKUSKKM-LBPRGKRZSA-N -1 3 414.512 2.430 20 30 HEEDHM Cc1cc([C@@H]2CCCN2C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)no1 ZINC000742518953 1076847042 /nfs/dbraw/zinc/84/70/42/1076847042.db2.gz MCZJGEVRLOYPNE-WBMJQRKESA-N -1 3 402.476 2.164 20 30 HEEDHM CC(=O)Nc1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1C ZINC000742518727 1076847239 /nfs/dbraw/zinc/84/72/39/1076847239.db2.gz OXPFZZURGSWTQN-ZDUSSCGKSA-N -1 3 414.487 2.409 20 30 HEEDHM C[C@H](CC(=O)N(C)CCCOc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742532604 1076848356 /nfs/dbraw/zinc/84/83/56/1076848356.db2.gz GNBTZVCBGMHMLI-MRXNPFEDSA-N -1 3 415.515 2.431 20 30 HEEDHM COCCOc1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742537249 1076848750 /nfs/dbraw/zinc/84/87/50/1076848750.db2.gz JIBZFSBBXMEKNH-AWEZNQCLSA-N -1 3 417.487 2.168 20 30 HEEDHM C[C@H](CC(=O)N(C)Cc1ccc(F)cc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742513627 1076848873 /nfs/dbraw/zinc/84/88/73/1076848873.db2.gz UVJPIBFMRWGJAB-GFCCVEGCSA-N -1 3 407.442 2.441 20 30 HEEDHM COC(=O)c1cc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1F ZINC000742513163 1076848879 /nfs/dbraw/zinc/84/88/79/1076848879.db2.gz ZXMKLFJGRFZJMI-LLVKDONJSA-N -1 3 419.434 2.068 20 30 HEEDHM COCCOc1cccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742558667 1076851973 /nfs/dbraw/zinc/85/19/73/1076851973.db2.gz LKTZWDZROGHUHZ-AWEZNQCLSA-N -1 3 417.487 2.168 20 30 HEEDHM COCCOc1cccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742558668 1076851993 /nfs/dbraw/zinc/85/19/93/1076851993.db2.gz LKTZWDZROGHUHZ-CQSZACIVSA-N -1 3 417.487 2.168 20 30 HEEDHM C[C@@H](CC(=O)Nc1nc(C(C)(C)C)ns1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742627894 1076859096 /nfs/dbraw/zinc/85/90/96/1076859096.db2.gz LRBQRUAYEVJTNV-JTQLQIEISA-N -1 3 407.521 2.291 20 30 HEEDHM COC(=O)c1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1C ZINC000742633426 1076859488 /nfs/dbraw/zinc/85/94/88/1076859488.db2.gz BUIJVKPPPJVINP-ZDUSSCGKSA-N -1 3 415.471 2.237 20 30 HEEDHM C=CCOc1ccccc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742663692 1076861805 /nfs/dbraw/zinc/86/18/05/1076861805.db2.gz HCHFPCAMGPBNCB-OAHLLOKOSA-N -1 3 413.499 2.385 20 30 HEEDHM COc1cccc(C[C@H](C)NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742668326 1076862365 /nfs/dbraw/zinc/86/23/65/1076862365.db2.gz FFIKLLMYCSKPOK-LSDHHAIUSA-N -1 3 415.515 2.260 20 30 HEEDHM Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742683286 1076866403 /nfs/dbraw/zinc/86/64/03/1076866403.db2.gz NBTAYKAUZYESOE-OAHLLOKOSA-N -1 3 414.531 2.195 20 30 HEEDHM CC(=O)N(C)c1ccccc1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742687616 1076867110 /nfs/dbraw/zinc/86/71/10/1076867110.db2.gz KQYXWSWQTRBANI-ZDUSSCGKSA-N -1 3 414.487 2.125 20 30 HEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000742734183 1076871785 /nfs/dbraw/zinc/87/17/85/1076871785.db2.gz QYWDUYAEXJWSPQ-ZDUSSCGKSA-N -1 3 423.425 2.354 20 30 HEEDHM C[C@H](CC(=O)Nc1nc2cc(F)ccc2n1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742915770 1076897056 /nfs/dbraw/zinc/89/70/56/1076897056.db2.gz HZTSOHFQUNJNLK-LLVKDONJSA-N -1 3 415.450 2.168 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCc1ccc(-c2cccnc2)cc1 ZINC000742967797 1076912618 /nfs/dbraw/zinc/91/26/18/1076912618.db2.gz MWNARGANPZZSFZ-UHFFFAOYSA-N -1 3 406.467 2.104 20 30 HEEDHM Cc1ncc(CO)c(/C=N/CCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1[O-] ZINC000743043091 1076934565 /nfs/dbraw/zinc/93/45/65/1076934565.db2.gz RJJDSMQIHNBXDU-UDWIEESQSA-N -1 3 423.560 2.486 20 30 HEEDHM C[C@H](CC(=O)NC[C@@H](O)c1ccc(Cl)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743303109 1077022433 /nfs/dbraw/zinc/02/24/33/1077022433.db2.gz RMGAGRQGLPRMFQ-MLGOLLRUSA-N -1 3 421.906 2.007 20 30 HEEDHM C[C@H](CC(=O)NCc1ccccc1-n1ccnc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743321144 1077028309 /nfs/dbraw/zinc/02/83/09/1077028309.db2.gz SMVXSGDAXPEJKF-OAHLLOKOSA-N -1 3 423.498 2.006 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCCCC1 ZINC000743755668 1077101360 /nfs/dbraw/zinc/10/13/60/1077101360.db2.gz WYTMRLZWOISPAC-MRXNPFEDSA-N -1 3 407.536 2.095 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCc2nc3ccccc3o2)ccc1F ZINC000743799308 1077122006 /nfs/dbraw/zinc/12/20/06/1077122006.db2.gz CESPDYZXCIRHIF-UHFFFAOYSA-N -1 3 403.435 2.404 20 30 HEEDHM N#Cc1cc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)ccc1N1CCC(O)CC1 ZINC000743814790 1077129199 /nfs/dbraw/zinc/12/91/99/1077129199.db2.gz YAJXGNAILRQWMN-UHFFFAOYSA-N -1 3 405.414 2.047 20 30 HEEDHM C[C@H](CC(=O)OCc1cnn(-c2ccccc2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744049894 1077307884 /nfs/dbraw/zinc/30/78/84/1077307884.db2.gz UPLRRHOFUKPVKF-OAHLLOKOSA-N -1 3 424.482 2.433 20 30 HEEDHM Cc1ccc(OC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000744036557 1077310491 /nfs/dbraw/zinc/31/04/91/1077310491.db2.gz CJEDJLXBQURNAU-LBPRGKRZSA-N -1 3 403.416 2.326 20 30 HEEDHM C[C@H](CC(=O)OCCOc1ccccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744150459 1077331842 /nfs/dbraw/zinc/33/18/42/1077331842.db2.gz BGYQRCMTIZUCSW-CYBMUJFWSA-N -1 3 406.435 2.265 20 30 HEEDHM C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)Nc1ccccc1C#N ZINC000744723364 1077555973 /nfs/dbraw/zinc/55/59/73/1077555973.db2.gz FIEHHEOZEOVDEJ-KDOFPFPSSA-N -1 3 407.426 2.439 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCn2cnc3ccccc32)ccc1F ZINC000746525024 1079683810 /nfs/dbraw/zinc/68/38/10/1079683810.db2.gz KPEMUWQHRDTHFE-UHFFFAOYSA-N -1 3 402.451 2.070 20 30 HEEDHM C[C@H](CC(=O)N[C@H]1CCc2cc(C#N)ccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000785562475 1080078913 /nfs/dbraw/zinc/07/89/13/1080078913.db2.gz FKYBPYWYVJZIKN-ACJLOTCBSA-N -1 3 408.483 2.179 20 30 HEEDHM C[C@H](CC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742590483 1080259258 /nfs/dbraw/zinc/25/92/58/1080259258.db2.gz ZBTILTXLZRPRJZ-CSMYWGQOSA-N -1 3 401.463 2.315 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000768048017 1080312879 /nfs/dbraw/zinc/31/28/79/1080312879.db2.gz QSWIPFAJJHNSDV-ZQIUZPCESA-N -1 3 407.536 2.212 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc3c(c2)COC3)ccc1F ZINC000746571105 1080382746 /nfs/dbraw/zinc/38/27/46/1080382746.db2.gz XISFWLOTFBMHHV-UHFFFAOYSA-N -1 3 419.430 2.360 20 30 HEEDHM CCn1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)cc2F)c(=O)c2ccccc21 ZINC000786554723 1080684017 /nfs/dbraw/zinc/68/40/17/1080684017.db2.gz NTXSCKNUNIAHPP-HNNXBMFYSA-N -1 3 410.380 2.333 20 30 HEEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1F ZINC000768765773 1080753342 /nfs/dbraw/zinc/75/33/42/1080753342.db2.gz OUDMZEUFRWAZHV-INIZCTEOSA-N -1 3 411.389 2.275 20 30 HEEDHM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cnn(CC(F)(F)F)c2)cc1 ZINC000786928837 1080897549 /nfs/dbraw/zinc/89/75/49/1080897549.db2.gz GIZSUPKPTRXFPF-CQSZACIVSA-N -1 3 407.352 2.108 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC[S@@](=O)C(CC)(CC)C2)ccc1F ZINC000769629928 1081147891 /nfs/dbraw/zinc/14/78/91/1081147891.db2.gz GAPUWMLDNKHQOW-AREMUKBSSA-N -1 3 416.540 2.053 20 30 HEEDHM C#CCOc1cccc(OS(=O)(=O)c2ccc([N-]S(=O)(=O)CC)c(F)c2)c1 ZINC000769653988 1078489432 /nfs/dbraw/zinc/48/94/32/1078489432.db2.gz RAPVKSCDWKUQLV-UHFFFAOYSA-N -1 3 413.448 2.367 20 30 HEEDHM C[C@H](CC(=O)OCCc1ccc2c(c1)CCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495896 1078510361 /nfs/dbraw/zinc/51/03/61/1078510361.db2.gz JHCLDCRLAYICES-CQSZACIVSA-N -1 3 414.483 2.225 20 30 HEEDHM C[C@H](CC(=O)OC[C@H]1OCCc2ccccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496793 1078511852 /nfs/dbraw/zinc/51/18/52/1078511852.db2.gz PHKYQVOLFWJIOU-RDTXWAMCSA-N -1 3 414.483 2.361 20 30 HEEDHM Cc1cccn2cc(COC(=O)C[C@H](C)/N=C3/[N-]S(=O)(=O)c4ccccc43)nc12 ZINC000745496815 1078512008 /nfs/dbraw/zinc/51/20/08/1078512008.db2.gz OBKAJWCTOAIZBE-AWEZNQCLSA-N -1 3 412.471 2.203 20 30 HEEDHM Cc1ccc(C(=O)COC(=O)C[C@@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)s1 ZINC000745498629 1078515124 /nfs/dbraw/zinc/51/51/24/1078515124.db2.gz YUGABFMDFPMFJH-LLVKDONJSA-N -1 3 406.485 2.300 20 30 HEEDHM CC(C)c1noc([C@H](C)OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000745497809 1078513829 /nfs/dbraw/zinc/51/38/29/1078513829.db2.gz SJOOSAOOAXZGGF-NEPJUHHUSA-N -1 3 406.464 2.315 20 30 HEEDHM CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000769709036 1078530900 /nfs/dbraw/zinc/53/09/00/1078530900.db2.gz KFPXFQGYCCVCSA-DYTRJAOYSA-N -1 3 417.443 2.186 20 30 HEEDHM CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770099482 1078723087 /nfs/dbraw/zinc/72/30/87/1078723087.db2.gz MGAYAOXRWYBPGM-XCMFGDQWSA-N -1 3 422.547 2.374 20 30 HEEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770110465 1078733045 /nfs/dbraw/zinc/73/30/45/1078733045.db2.gz KGRAEBGNGCMKDR-UKRRQHHQSA-N -1 3 416.565 2.158 20 30 HEEDHM N#CC(=C([O-])c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1nnc2n1CCCCC2 ZINC000746416763 1078909308 /nfs/dbraw/zinc/90/93/08/1078909308.db2.gz VAAKDUCOCRBRIM-MRXNPFEDSA-N -1 3 410.434 2.239 20 30 HEEDHM COCc1cnc(NC(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000804305406 1079116014 /nfs/dbraw/zinc/11/60/14/1079116014.db2.gz OBHNRQXFKUKRRL-CQSZACIVSA-N -1 3 422.532 2.381 20 30 HEEDHM C[C@H](CC(=O)Nc1ccc(Br)nc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000766695397 1079283368 /nfs/dbraw/zinc/28/33/68/1079283368.db2.gz KPTGPICQDYMXRF-SNVBAGLBSA-N -1 3 423.292 2.300 20 30 HEEDHM CCOc1ccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c2ncccc12 ZINC000766706001 1079288674 /nfs/dbraw/zinc/28/86/74/1079288674.db2.gz NDZBRPYGNCGWCR-UHFFFAOYSA-N -1 3 410.455 2.311 20 30 HEEDHM O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1-c1nnn[n-]1 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HGAIFYSUNMUMBV-INIZCTEOSA-N -1 3 404.492 2.007 20 30 HEEDHM COc1ccc([C@@H](C)CCNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000741613616 1076555274 /nfs/dbraw/zinc/55/52/74/1076555274.db2.gz YECYNLVHZUFAEN-AWEZNQCLSA-N -1 3 401.488 2.044 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)ccc1F ZINC000741719747 1076593044 /nfs/dbraw/zinc/59/30/44/1076593044.db2.gz FVMKDEUGTFOBEM-UHFFFAOYSA-N -1 3 403.435 2.427 20 30 HEEDHM CC(=O)Nc1cccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742466104 1076842163 /nfs/dbraw/zinc/84/21/63/1076842163.db2.gz FKIXTBKWQNRMQV-LBPRGKRZSA-N -1 3 400.460 2.101 20 30 HEEDHM C[C@H](CC(=O)NCCc1c[nH]c2ccccc12)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742469555 1076842648 /nfs/dbraw/zinc/84/26/48/1076842648.db2.gz CAQJGQKEDYSWEV-CQSZACIVSA-N -1 3 410.499 2.344 20 30 HEEDHM C[C@H](CC(=O)Nc1ccc(N2CCCC2)nc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742505239 1076845952 /nfs/dbraw/zinc/84/59/52/1076845952.db2.gz ONFMSZNMLPHTNN-CQSZACIVSA-N -1 3 413.503 2.138 20 30 HEEDHM C[C@H](CC(=O)NCCc1cccc2cccnc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742505630 1076846007 /nfs/dbraw/zinc/84/60/07/1076846007.db2.gz RBMSAVGYCYDHNM-OAHLLOKOSA-N -1 3 422.510 2.411 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccc(-n2cccn2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742532712 1076848318 /nfs/dbraw/zinc/84/83/18/1076848318.db2.gz ZTHHCCIWQQHUDO-AWEZNQCLSA-N -1 3 409.471 2.328 20 30 HEEDHM C[C@@H](CC(=O)N(C)CCCOc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742532599 1076848364 /nfs/dbraw/zinc/84/83/64/1076848364.db2.gz GNBTZVCBGMHMLI-INIZCTEOSA-N -1 3 415.515 2.431 20 30 HEEDHM Cc1cc(C)cc(OCCNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742579481 1076853058 /nfs/dbraw/zinc/85/30/58/1076853058.db2.gz ZVELBHYYWCYHGO-MRXNPFEDSA-N -1 3 415.515 2.316 20 30 HEEDHM C[C@@H](CC(=O)Nc1cnc(C(C)(C)C)nc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742585638 1076853557 /nfs/dbraw/zinc/85/35/57/1076853557.db2.gz KHXJBQKQOXFRRC-LBPRGKRZSA-N -1 3 401.492 2.230 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccc2oc(=O)ccc2c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742565657 1076853981 /nfs/dbraw/zinc/85/39/81/1076853981.db2.gz DCGIVOUQZAJNRZ-LBPRGKRZSA-N -1 3 411.439 2.249 20 30 HEEDHM C[C@H](CC(=O)NCc1cccc2cccnc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742593209 1076853987 /nfs/dbraw/zinc/85/39/87/1076853987.db2.gz LKUQCUHBCAJBSG-CQSZACIVSA-N -1 3 408.483 2.368 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccnn1C1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742618149 1076857037 /nfs/dbraw/zinc/85/70/37/1076857037.db2.gz UYYZIWHOPGJKAO-ZDUSSCGKSA-N -1 3 401.492 2.454 20 30 HEEDHM C[C@H](CC(=O)NC[C@@H](C)Oc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742677008 1076863993 /nfs/dbraw/zinc/86/39/93/1076863993.db2.gz HAOYWXUPSAPVPI-HUUCEWRRSA-N -1 3 401.488 2.087 20 30 HEEDHM C[C@H](CC(=O)N(C)CCc1ccccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742655989 1076865301 /nfs/dbraw/zinc/86/53/01/1076865301.db2.gz JHRAENNGAONJSM-CQSZACIVSA-N -1 3 403.479 2.344 20 30 HEEDHM C[C@H](CC(=O)NC1(c2ccccc2F)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742689658 1076867089 /nfs/dbraw/zinc/86/70/89/1076867089.db2.gz MZPNTFOGWWTCAS-CYBMUJFWSA-N -1 3 401.463 2.448 20 30 HEEDHM CCCn1cc(NC(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742723072 1076869897 /nfs/dbraw/zinc/86/98/97/1076869897.db2.gz DMCYPRSIHPLPMB-INIZCTEOSA-N -1 3 403.508 2.385 20 30 HEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000742734182 1076871847 /nfs/dbraw/zinc/87/18/47/1076871847.db2.gz QYWDUYAEXJWSPQ-CYBMUJFWSA-N -1 3 423.425 2.354 20 30 HEEDHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000742781764 1076877544 /nfs/dbraw/zinc/87/75/44/1076877544.db2.gz MWAKSVNZRGFKDX-DYVFJYSZSA-N -1 3 401.463 2.474 20 30 HEEDHM C[C@H](CC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742924091 1076898367 /nfs/dbraw/zinc/89/83/67/1076898367.db2.gz VCHIQDYDTGACON-VXGBXAGGSA-N -1 3 419.507 2.062 20 30 HEEDHM C[C@@H](CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743286447 1077024956 /nfs/dbraw/zinc/02/49/56/1077024956.db2.gz DFMQSWPVAUKOQG-STQMWFEESA-N -1 3 411.487 2.257 20 30 HEEDHM C[C@H](CC(=O)NCc1nc(-c2ccccc2)c[nH]1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000743322626 1077028767 /nfs/dbraw/zinc/02/87/67/1077028767.db2.gz BXSWKGZOHPBOEH-CQSZACIVSA-N -1 3 423.498 2.210 20 30 HEEDHM COc1ccc([N+](=O)[O-])cc1OC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744026773 1077298806 /nfs/dbraw/zinc/29/88/06/1077298806.db2.gz WXOZCBDRWWXYBH-NSHDSACASA-N -1 3 419.415 2.026 20 30 HEEDHM COc1ccc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC000744044654 1077307153 /nfs/dbraw/zinc/30/71/53/1077307153.db2.gz SDUZMUFEWSYIRP-ZDUSSCGKSA-N -1 3 418.471 2.264 20 30 HEEDHM COC(=O)c1cccc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744098977 1077322516 /nfs/dbraw/zinc/32/25/16/1077322516.db2.gz SMGBHABSVTUGHN-ZDUSSCGKSA-N -1 3 416.455 2.034 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCOc1cccnc1 ZINC000744143176 1077329978 /nfs/dbraw/zinc/32/99/78/1077329978.db2.gz NHSKOSIHUATQMI-QGZVFWFLSA-N -1 3 417.487 2.157 20 30 HEEDHM C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)Nc1ccccc1C#N ZINC000744723366 1077556123 /nfs/dbraw/zinc/55/61/23/1077556123.db2.gz FIEHHEOZEOVDEJ-RDTXWAMCSA-N -1 3 407.426 2.439 20 30 HEEDHM COc1ccc(COC(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)nc1 ZINC000767409691 1079836685 /nfs/dbraw/zinc/83/66/85/1079836685.db2.gz HUCSLPRDLYFVDQ-QGZVFWFLSA-N -1 3 417.487 2.287 20 30 HEEDHM CCN(CCO)c1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000746491229 1080087710 /nfs/dbraw/zinc/08/77/10/1080087710.db2.gz CMZNEBRBOPKOHJ-UHFFFAOYSA-N -1 3 420.491 2.175 20 30 HEEDHM COC(=O)c1cc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1C ZINC000746637375 1081009030 /nfs/dbraw/zinc/00/90/30/1081009030.db2.gz MOKZNXZROHCWKY-ZDUSSCGKSA-N -1 3 415.471 2.237 20 30 HEEDHM COCCC1(CNC(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000769599568 1081140669 /nfs/dbraw/zinc/14/06/69/1081140669.db2.gz JWOKIYZGFNVULJ-MRXNPFEDSA-N -1 3 407.536 2.073 20 30 HEEDHM C[C@H](CC(=O)OCc1cc(C#N)ccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497487 1078514314 /nfs/dbraw/zinc/51/43/14/1078514314.db2.gz UUGYWYROIWCZOF-GFCCVEGCSA-N -1 3 401.419 2.258 20 30 HEEDHM C[C@H](CC(=O)O[C@@H](C)C(=O)c1ccc(F)cc1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745494841 1078509012 /nfs/dbraw/zinc/50/90/12/1078509012.db2.gz CAUJELDXBAGGLX-OLZOCXBDSA-N -1 3 418.446 2.457 20 30 HEEDHM C[C@H](CC(=O)OCC(=O)c1cc(F)ccc1F)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745495188 1078509323 /nfs/dbraw/zinc/50/93/23/1078509323.db2.gz DKTRHZZXZYFMAP-LLVKDONJSA-N -1 3 422.409 2.208 20 30 HEEDHM COc1ccc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1F ZINC000745495339 1078510023 /nfs/dbraw/zinc/51/00/23/1078510023.db2.gz HHGSEVPZGXJHLN-GFCCVEGCSA-N -1 3 406.435 2.395 20 30 HEEDHM Cc1nc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)nc2ccccc12 ZINC000745496841 1078512188 /nfs/dbraw/zinc/51/21/88/1078512188.db2.gz PPBFJZCSIHOWDH-ZDUSSCGKSA-N -1 3 424.482 2.499 20 30 HEEDHM CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000769709635 1078531109 /nfs/dbraw/zinc/53/11/09/1078531109.db2.gz PBZHJYYUGOPKAF-UZYVYHOESA-N -1 3 417.443 2.186 20 30 HEEDHM COC(=O)CCCN1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC1 ZINC000769813235 1078573800 /nfs/dbraw/zinc/57/38/00/1078573800.db2.gz QMCZLYUZCOYOED-UHFFFAOYSA-N -1 3 403.487 2.104 20 30 HEEDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 ZINC000770107435 1078716965 /nfs/dbraw/zinc/71/69/65/1078716965.db2.gz JUTPBBPDTXOIOK-SFHVURJKSA-N -1 3 419.503 2.245 20 30 HEEDHM Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1 ZINC000770114063 1078735865 /nfs/dbraw/zinc/73/58/65/1078735865.db2.gz LGUILZCEQRZMTO-GOSISDBHSA-N -1 3 423.535 2.057 20 30 HEEDHM CS(=O)(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(OCC#N)cc2)c(Cl)s1 ZINC000770673626 1078928199 /nfs/dbraw/zinc/92/81/99/1078928199.db2.gz FISOJONZHUIVEJ-UHFFFAOYSA-N -1 3 420.921 2.186 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCO[C@@H](C)C1 ZINC000771325566 1079288253 /nfs/dbraw/zinc/28/82/53/1079288253.db2.gz SWTKQJHBVHRECR-UXLLHSPISA-N -1 3 407.536 2.215 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)nn2C2CCOCC2)ccc1F ZINC000771452992 1079329932 /nfs/dbraw/zinc/32/99/32/1079329932.db2.gz XLDNMMUHQUHOOY-UHFFFAOYSA-N -1 3 422.482 2.399 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)ccc1F ZINC000766787644 1079378233 /nfs/dbraw/zinc/37/82/33/1079378233.db2.gz NBZWCGZTPRZNKL-GOSISDBHSA-N -1 3 420.462 2.209 20 30 HEEDHM C[C@H](CC(=O)N(C)[C@H](C)c1cccc(O)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771567568 1079387739 /nfs/dbraw/zinc/38/77/39/1079387739.db2.gz OFDTXUCDFSJWPA-ZIAGYGMSSA-N -1 3 401.488 2.429 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1ccc(Br)c(F)c1 ZINC000741984242 1076703900 /nfs/dbraw/zinc/70/39/00/1076703900.db2.gz RPTRFAVJFYPHDR-UHFFFAOYSA-N -1 3 412.240 2.265 20 30 HEEDHM C[C@H](CC(=O)Nc1ccc2c(c1)OCCCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742481875 1076842987 /nfs/dbraw/zinc/84/29/87/1076842987.db2.gz CICPLUAKWNBAEF-CYBMUJFWSA-N -1 3 415.471 2.304 20 30 HEEDHM COc1ccc(CN(C)C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742477362 1076843036 /nfs/dbraw/zinc/84/30/36/1076843036.db2.gz OUAGIPOAYNUDPA-AWEZNQCLSA-N -1 3 401.488 2.171 20 30 HEEDHM C[C@H](CC(=O)NCc1cnn(-c2ccccc2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742507566 1076846295 /nfs/dbraw/zinc/84/62/95/1076846295.db2.gz YOTJYWXKQMCUGU-OAHLLOKOSA-N -1 3 423.498 2.006 20 30 HEEDHM Cc1cccc(OCCNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742486325 1076846763 /nfs/dbraw/zinc/84/67/63/1076846763.db2.gz UXJIXUKKIFFGCI-OAHLLOKOSA-N -1 3 401.488 2.007 20 30 HEEDHM C[C@@H](CC(=O)Nc1cccc(-c2nnco2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742528063 1076847845 /nfs/dbraw/zinc/84/78/45/1076847845.db2.gz OYRCEPNUXCEHBI-LBPRGKRZSA-N -1 3 411.443 2.192 20 30 HEEDHM COc1ccc(C)cc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742526051 1076847888 /nfs/dbraw/zinc/84/78/88/1076847888.db2.gz LPVXAZHLJOLALH-AWEZNQCLSA-N -1 3 401.488 2.137 20 30 HEEDHM C[C@@H](CC(=O)N(C)Cc1ccc(F)cc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742513628 1076848912 /nfs/dbraw/zinc/84/89/12/1076848912.db2.gz UVJPIBFMRWGJAB-LBPRGKRZSA-N -1 3 407.442 2.441 20 30 HEEDHM C[C@H](CC(=O)NCCOc1cccc(Cl)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742543036 1076850111 /nfs/dbraw/zinc/85/01/11/1076850111.db2.gz ABVQVXHGUSRENU-CYBMUJFWSA-N -1 3 421.906 2.352 20 30 HEEDHM COc1ccc(Cl)cc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742545557 1076850707 /nfs/dbraw/zinc/85/07/07/1076850707.db2.gz RFESXVLOSZLAIC-LBPRGKRZSA-N -1 3 421.906 2.482 20 30 HEEDHM C[C@@H](CC(=O)Nc1nnc(C(C)(C)C)s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742569901 1076852261 /nfs/dbraw/zinc/85/22/61/1076852261.db2.gz MVZJRYQWAKIVJP-JTQLQIEISA-N -1 3 407.521 2.291 20 30 HEEDHM C[C@H](CC(=O)Nc1nnc(C(F)(F)F)s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742570641 1076852526 /nfs/dbraw/zinc/85/25/26/1076852526.db2.gz UNSUQVHANFQKHI-SSDOTTSWSA-N -1 3 419.410 2.013 20 30 HEEDHM Cc1nc(-c2ccc(NC(=O)C[C@@H](C)N=C3[N-]S(=O)(=O)c4ccccc43)cc2)n[nH]1 ZINC000742598627 1076854824 /nfs/dbraw/zinc/85/48/24/1076854824.db2.gz DWTPGWMPYQILGA-GFCCVEGCSA-N -1 3 424.486 2.236 20 30 HEEDHM C[C@@H](CC(=O)N(CCC#N)Cc1ccco1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742603876 1076855472 /nfs/dbraw/zinc/85/54/72/1076855472.db2.gz OJNMIGVLHIOTKY-AWEZNQCLSA-N -1 3 400.460 2.039 20 30 HEEDHM CC(=O)N(C)c1ccccc1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742687615 1076866890 /nfs/dbraw/zinc/86/68/90/1076866890.db2.gz KQYXWSWQTRBANI-CYBMUJFWSA-N -1 3 414.487 2.125 20 30 HEEDHM CCO[C@@H]1C[C@H](NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C12CCCC2 ZINC000742918220 1076897439 /nfs/dbraw/zinc/89/74/39/1076897439.db2.gz NYGGSOOYBPGVKO-FHLIZLRMSA-N -1 3 419.547 2.358 20 30 HEEDHM C[C@H](CC(=O)OCc1ccc([N+](=O)[O-])cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744049224 1077307594 /nfs/dbraw/zinc/30/75/94/1077307594.db2.gz RWAFCUVEPUFSHV-GFCCVEGCSA-N -1 3 403.416 2.155 20 30 HEEDHM CC(=O)Nc1cccc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744087907 1077316334 /nfs/dbraw/zinc/31/63/34/1077316334.db2.gz GIPHWABHCADUMC-ZDUSSCGKSA-N -1 3 415.471 2.206 20 30 HEEDHM C[C@@H](CC(=O)OCc1ccc2c(c1)CCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744104247 1077317553 /nfs/dbraw/zinc/31/75/53/1077317553.db2.gz YNXAAKKLJUHEKV-ZDUSSCGKSA-N -1 3 400.456 2.182 20 30 HEEDHM COc1ccc(C(C)=O)c(OC(=O)C[C@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744103410 1077323136 /nfs/dbraw/zinc/32/31/36/1077323136.db2.gz QHUAGWGJQHTNRH-LBPRGKRZSA-N -1 3 416.455 2.321 20 30 HEEDHM COc1ccc(COC(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000744317565 1077362976 /nfs/dbraw/zinc/36/29/76/1077362976.db2.gz ZJFPOXUQYCJWPN-INIZCTEOSA-N -1 3 417.487 2.287 20 30 HEEDHM C[C@H](Cc1nc2ccccc2s1)NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745410489 1077819951 /nfs/dbraw/zinc/81/99/51/1077819951.db2.gz JAGUTAZNLUVBFG-GFCCVEGCSA-N -1 3 414.512 2.082 20 30 HEEDHM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC000767162246 1079700185 /nfs/dbraw/zinc/70/01/85/1079700185.db2.gz SQMIXUPXMLGIAF-LBPRGKRZSA-N -1 3 416.482 2.111 20 30 HEEDHM COc1ccc(COC(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)nc1 ZINC000767409690 1079836584 /nfs/dbraw/zinc/83/65/84/1079836584.db2.gz HUCSLPRDLYFVDQ-KRWDZBQOSA-N -1 3 417.487 2.287 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)OC)ccc1F ZINC000772380734 1079855195 /nfs/dbraw/zinc/85/51/95/1079855195.db2.gz ZGKGWQBVAOAQPB-AUUYWEPGSA-N -1 3 412.483 2.142 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCc1cnc(C)s1 ZINC000772537103 1079919714 /nfs/dbraw/zinc/91/97/14/1079919714.db2.gz YAJZWVINEXIIEY-MRXNPFEDSA-N -1 3 420.560 2.408 20 30 HEEDHM C[C@H](CC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768309267 1080478910 /nfs/dbraw/zinc/47/89/10/1080478910.db2.gz ICANTWLMIPRCDY-FBRVAALWSA-N -1 3 409.511 2.206 20 30 HEEDHM C[C@H](CC(=O)N1CCc2cc(F)ccc2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768536976 1080616487 /nfs/dbraw/zinc/61/64/87/1080616487.db2.gz KOFKLOCRXBGSKE-CYBMUJFWSA-N -1 3 401.463 2.228 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)ccc1F ZINC000768591365 1080671108 /nfs/dbraw/zinc/67/11/08/1080671108.db2.gz FQOHETSPFFJFQG-KSSFIOAISA-N -1 3 414.524 2.075 20 30 HEEDHM COCCc1cccc(OC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000786764597 1080807624 /nfs/dbraw/zinc/80/76/24/1080807624.db2.gz ZTBWMVDYVQSYBJ-AWEZNQCLSA-N -1 3 402.472 2.298 20 30 HEEDHM C[C@H](CC(=O)O[C@H](C)C(=O)c1ccccc1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745498489 1078514811 /nfs/dbraw/zinc/51/48/11/1078514811.db2.gz XHILBANVJGYKKD-ZIAGYGMSSA-N -1 3 400.456 2.318 20 30 HEEDHM COc1ccccc1OCCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495689 1078510619 /nfs/dbraw/zinc/51/06/19/1078510619.db2.gz IAEBPSAMUIYABV-AWEZNQCLSA-N -1 3 418.471 2.135 20 30 HEEDHM C[C@H](CC(=O)OCC(=O)c1ccc(F)cc1F)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745496348 1078511196 /nfs/dbraw/zinc/51/11/96/1078511196.db2.gz LKZKLLSESROSQR-LLVKDONJSA-N -1 3 422.409 2.208 20 30 HEEDHM C[C@@H](CC(=O)OCc1csc([N+](=O)[O-])c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496384 1078511310 /nfs/dbraw/zinc/51/13/10/1078511310.db2.gz LYYGTNOWCSZIBW-JTQLQIEISA-N -1 3 409.445 2.217 20 30 HEEDHM C[C@@H](CC(=O)OCCCCCn1cccn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496354 1078511489 /nfs/dbraw/zinc/51/14/89/1078511489.db2.gz LROZFNDIDGEFNZ-HNNXBMFYSA-N -1 3 404.492 2.114 20 30 HEEDHM C[C@H](CC(=O)OCc1ccc(OCC#N)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496713 1078512560 /nfs/dbraw/zinc/51/25/60/1078512560.db2.gz OPZZFTUIIMHLEO-CQSZACIVSA-N -1 3 413.455 2.149 20 30 HEEDHM CC(C)N(C(=O)[C@@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)C(C)C ZINC000745496674 1078512691 /nfs/dbraw/zinc/51/26/91/1078512691.db2.gz NSQANHRRNPFDGI-HUUCEWRRSA-N -1 3 423.535 2.081 20 30 HEEDHM C[C@H](CC(=O)O[C@H](C)c1nc(C(C)(C)C)no1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498591 1078515092 /nfs/dbraw/zinc/51/50/92/1078515092.db2.gz YGDUAIWQKCLVBD-VXGBXAGGSA-N -1 3 420.491 2.489 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])ccc1F ZINC000737584916 1078605535 /nfs/dbraw/zinc/60/55/35/1078605535.db2.gz WJGMMKPVOPSQCG-UHFFFAOYSA-N -1 3 405.407 2.401 20 30 HEEDHM Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1C ZINC000770101395 1078724513 /nfs/dbraw/zinc/72/45/13/1078724513.db2.gz DKQQXVPMODTLIQ-GOSISDBHSA-N -1 3 423.535 2.057 20 30 HEEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770110464 1078732930 /nfs/dbraw/zinc/73/29/30/1078732930.db2.gz KGRAEBGNGCMKDR-HIFRSBDPSA-N -1 3 416.565 2.158 20 30 HEEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770110466 1078732974 /nfs/dbraw/zinc/73/29/74/1078732974.db2.gz KGRAEBGNGCMKDR-ZFWWWQNUSA-N -1 3 416.565 2.158 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1ccc(CO)cc1 ZINC000770529715 1078885801 /nfs/dbraw/zinc/88/58/01/1078885801.db2.gz XHBMINLIHUZCCW-QGZVFWFLSA-N -1 3 401.488 2.415 20 30 HEEDHM C[C@H](CC(=O)NCCc1cc2ccccc2[nH]1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771275401 1079263698 /nfs/dbraw/zinc/26/36/98/1079263698.db2.gz DAHWLYPLMOZUAW-CQSZACIVSA-N -1 3 410.499 2.344 20 30 HEEDHM COc1cc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1OC(C)C ZINC000766714834 1079302126 /nfs/dbraw/zinc/30/21/26/1079302126.db2.gz WRJUUWKYIIOHJF-UHFFFAOYSA-N -1 3 403.460 2.160 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1ncc(CC)o1 ZINC000771584024 1079380791 /nfs/dbraw/zinc/38/07/91/1079380791.db2.gz VOFIWJPJCDWGFJ-HNNXBMFYSA-N -1 3 404.492 2.151 20 30 HEEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)nc1Cl ZINC000766840823 1079431395 /nfs/dbraw/zinc/43/13/95/1079431395.db2.gz JNKJVWMZMHELTB-CYBMUJFWSA-N -1 3 400.822 2.407 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1ccsc1 ZINC000740114267 1076122093 /nfs/dbraw/zinc/12/20/93/1076122093.db2.gz PLODLBAXQDNWMO-JKSUJKDBSA-N -1 3 421.544 2.195 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2-n2cccn2)ccc1F ZINC000742466909 1076842347 /nfs/dbraw/zinc/84/23/47/1076842347.db2.gz GXVGGBIOIZDYJI-UHFFFAOYSA-N -1 3 414.462 2.406 20 30 HEEDHM C[C@@H](CC(=O)Nc1nc2c(s1)CCCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742492232 1076844383 /nfs/dbraw/zinc/84/43/83/1076844383.db2.gz CEBROQBVYWAZNT-NSHDSACASA-N -1 3 404.517 2.478 20 30 HEEDHM C[C@@H](CC(=O)NCCCN(C)c1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742490803 1076844390 /nfs/dbraw/zinc/84/43/90/1076844390.db2.gz FEWBRATXVCNGGY-INIZCTEOSA-N -1 3 414.531 2.146 20 30 HEEDHM C[C@@H](CC(=O)N(C)CCOc1ccc(F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742499858 1076845477 /nfs/dbraw/zinc/84/54/77/1076845477.db2.gz XSJFMDYBSITJNV-AWEZNQCLSA-N -1 3 419.478 2.180 20 30 HEEDHM C[C@H](CC(=O)N(C)Cc1ccc(F)c(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742517470 1076847119 /nfs/dbraw/zinc/84/71/19/1076847119.db2.gz CQRCCKKMJOUIMU-GFCCVEGCSA-N -1 3 407.442 2.441 20 30 HEEDHM COCCN(Cc1ccccc1)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742518469 1076847307 /nfs/dbraw/zinc/84/73/07/1076847307.db2.gz DBUIPYCQDKQCJL-MRXNPFEDSA-N -1 3 415.515 2.179 20 30 HEEDHM COc1cccc([C@H](C)NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742524898 1076847698 /nfs/dbraw/zinc/84/76/98/1076847698.db2.gz QQHDKRHOEHOPCC-KGLIPLIRSA-N -1 3 401.488 2.390 20 30 HEEDHM C[C@H](CC(=O)N[C@H](C#N)c1ccc(F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742512273 1076848732 /nfs/dbraw/zinc/84/87/32/1076848732.db2.gz VXVKXHXNLGJDGC-MLGOLLRUSA-N -1 3 400.435 2.024 20 30 HEEDHM C[C@H](CC(=O)NCCc1c(F)cccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742554026 1076851340 /nfs/dbraw/zinc/85/13/40/1076851340.db2.gz UNXXKESVVJQGJX-GFCCVEGCSA-N -1 3 407.442 2.141 20 30 HEEDHM C[C@@H](CC(=O)Nc1nnc(-c2ccco2)s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742570458 1076852492 /nfs/dbraw/zinc/85/24/92/1076852492.db2.gz QLQLVXLVHPOLKG-JTQLQIEISA-N -1 3 417.472 2.254 20 30 HEEDHM C[C@H](CC(=O)N[C@@H](C)Cc1ccccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742572840 1076852675 /nfs/dbraw/zinc/85/26/75/1076852675.db2.gz IETZTGICCAFBMF-UONOGXRCSA-N -1 3 403.479 2.390 20 30 HEEDHM C[C@@H](CC(=O)N1CCC(OC2CCCC2)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742606063 1076855591 /nfs/dbraw/zinc/85/55/91/1076855591.db2.gz GPVXUKSTTMOWLQ-HNNXBMFYSA-N -1 3 419.547 2.454 20 30 HEEDHM C[C@H](CC(=O)Nc1ccnn1C1CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742618146 1076857115 /nfs/dbraw/zinc/85/71/15/1076857115.db2.gz UYYZIWHOPGJKAO-CYBMUJFWSA-N -1 3 401.492 2.454 20 30 HEEDHM COc1cc(CCNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1C ZINC000742696875 1076868138 /nfs/dbraw/zinc/86/81/38/1076868138.db2.gz DDCBLHPEXJPJFT-OAHLLOKOSA-N -1 3 415.515 2.180 20 30 HEEDHM Cc1ccc(O[C@H](C)CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742718079 1076874119 /nfs/dbraw/zinc/87/41/19/1076874119.db2.gz LUHSAPYPQJCAMQ-HZPDHXFCSA-N -1 3 415.515 2.396 20 30 HEEDHM O=C1Nc2ccc(Br)cc2C1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743449533 1077051470 /nfs/dbraw/zinc/05/14/70/1077051470.db2.gz ZYHZFWBNFROLBM-UHFFFAOYSA-N -1 3 408.277 2.267 20 30 HEEDHM CC(=NNS(=O)(=O)CCc1ccccc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000743449489 1077051566 /nfs/dbraw/zinc/05/15/66/1077051566.db2.gz YYUYHWBGGZPSNE-UHFFFAOYSA-N -1 3 417.531 2.111 20 30 HEEDHM COc1cc(OC)cc(OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744024552 1077298308 /nfs/dbraw/zinc/29/83/08/1077298308.db2.gz WAZMWUUWSKIVFL-GFCCVEGCSA-N -1 3 404.444 2.127 20 30 HEEDHM COc1ccc(OC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000744036097 1077310825 /nfs/dbraw/zinc/31/08/25/1077310825.db2.gz XPIHQUCRLLWKTA-NSHDSACASA-N -1 3 419.415 2.026 20 30 HEEDHM C[C@@H](CC(=O)OCCOCc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744177656 1077336042 /nfs/dbraw/zinc/33/60/42/1077336042.db2.gz OSZBYBLSKTWYPA-HNNXBMFYSA-N -1 3 402.472 2.264 20 30 HEEDHM C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)Nc1cccc(C#N)c1 ZINC000744725952 1077557535 /nfs/dbraw/zinc/55/75/35/1077557535.db2.gz QOQFYQNJHFGCDT-RDTXWAMCSA-N -1 3 407.426 2.439 20 30 HEEDHM CCC1(CNC(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCOCC1 ZINC000744801885 1077598451 /nfs/dbraw/zinc/59/84/51/1077598451.db2.gz JGDSRZOVFNRHOX-QGZVFWFLSA-N -1 3 421.563 2.463 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCc1cccc(OC(F)(F)F)c1 ZINC000746538463 1079871924 /nfs/dbraw/zinc/87/19/24/1079871924.db2.gz RUPYQKSLMXVMOR-UHFFFAOYSA-N -1 3 414.361 2.367 20 30 HEEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000785515906 1080029701 /nfs/dbraw/zinc/02/97/01/1080029701.db2.gz CRCFDCQFYOBGJM-CMPLNLGQSA-N -1 3 420.413 2.138 20 30 HEEDHM C[C@@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc(C(F)(F)F)cs1 ZINC000785558285 1080057224 /nfs/dbraw/zinc/05/72/24/1080057224.db2.gz YCHBCFLGGFXMOF-MRVPVSSYSA-N -1 3 418.422 2.078 20 30 HEEDHM C[C@H](CC(=O)N1C[C@@H](C)Oc2cc(F)ccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742707327 1080301258 /nfs/dbraw/zinc/30/12/58/1080301258.db2.gz QLOONPYYIAMUQF-CHWSQXEVSA-N -1 3 417.462 2.457 20 30 HEEDHM C[C@H](CC(=O)OCCOc1cccc(Cl)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768161049 1080378889 /nfs/dbraw/zinc/37/88/89/1080378889.db2.gz SNKFUHOQPICXAT-GFCCVEGCSA-N -1 3 423.878 2.174 20 30 HEEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cn(Cc3noc(C)n3)nn2)cc1 ZINC000786312704 1080557552 /nfs/dbraw/zinc/55/75/52/1080557552.db2.gz GWDYFHBGWAAFMV-WBMJQRKESA-N -1 3 407.434 2.493 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC2CN(C(=O)OC(C)(C)C)C2)ccc1F ZINC000768569699 1080636774 /nfs/dbraw/zinc/63/67/74/1080636774.db2.gz VORXFVZOGQJRNC-UHFFFAOYSA-N -1 3 414.455 2.066 20 30 HEEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1F ZINC000768765788 1080753548 /nfs/dbraw/zinc/75/35/48/1080753548.db2.gz OUDMZEUFRWAZHV-MRXNPFEDSA-N -1 3 411.389 2.275 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CCOC(C)(C)C ZINC000769321443 1081042251 /nfs/dbraw/zinc/04/22/51/1081042251.db2.gz AJIBTIBFVMZUMI-INIZCTEOSA-N -1 3 409.552 2.413 20 30 HEEDHM CC(C)(C)C1CCC(C#N)(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000769511369 1081103548 /nfs/dbraw/zinc/10/35/48/1081103548.db2.gz YPKOMBGVRGXXIP-UHFFFAOYSA-N -1 3 402.520 2.340 20 30 HEEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccc(C#N)cc2F)cc1F ZINC000769666746 1078506866 /nfs/dbraw/zinc/50/68/66/1078506866.db2.gz JBQJHAJLCAIQPJ-UHFFFAOYSA-N -1 3 402.400 2.366 20 30 HEEDHM COC(=O)c1ccc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000745494749 1078509024 /nfs/dbraw/zinc/50/90/24/1078509024.db2.gz CGYOHEJPGHMLCC-ZDUSSCGKSA-N -1 3 416.455 2.034 20 30 HEEDHM C[C@@H](CC(=O)OCc1ccc(OCC#N)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496708 1078513028 /nfs/dbraw/zinc/51/30/28/1078513028.db2.gz OPZZFTUIIMHLEO-AWEZNQCLSA-N -1 3 413.455 2.149 20 30 HEEDHM Cc1ccc(OCCOC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000745497947 1078513426 /nfs/dbraw/zinc/51/34/26/1078513426.db2.gz YSDKUWHBPJRREU-OAHLLOKOSA-N -1 3 402.472 2.434 20 30 HEEDHM CCOc1cc(C=NNc2nc3c(cnn3C)c(=O)[nH]2)cc(Br)c1[O-] ZINC000769820036 1078560745 /nfs/dbraw/zinc/56/07/45/1078560745.db2.gz UMCJRXHNQFWLRB-UHFFFAOYSA-N -1 3 407.228 2.382 20 30 HEEDHM COC[C@@](C)(C#N)NC(=O)c1cc(NC(=O)c2cc(OC)cc(OC)c2)ccc1[O-] ZINC000769994205 1078677475 /nfs/dbraw/zinc/67/74/75/1078677475.db2.gz QBTBPXYFQJIMDB-OAQYLSRUSA-N -1 3 413.430 2.320 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC(=O)N(C)C)c2ccccc2)ccc1F ZINC000745980551 1078717375 /nfs/dbraw/zinc/71/73/75/1078717375.db2.gz CTVMYBXRTLFENV-UHFFFAOYSA-N -1 3 419.478 2.025 20 30 HEEDHM Cc1ccc(SC[C@@H](C)NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000770099526 1078722979 /nfs/dbraw/zinc/72/29/79/1078722979.db2.gz DQAHCXOAJAHVDO-CQSZACIVSA-N -1 3 403.529 2.331 20 30 HEEDHM C[C@@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000770099571 1078723044 /nfs/dbraw/zinc/72/30/44/1078723044.db2.gz MOJFNTJWKRNRLA-YGRLFVJLSA-N -1 3 415.899 2.046 20 30 HEEDHM Cc1nc(C)c(CC(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)c(=O)[n-]1 ZINC000770857053 1079040966 /nfs/dbraw/zinc/04/09/66/1079040966.db2.gz AUCDJEHWSFFTBE-UHFFFAOYSA-N -1 3 409.486 2.159 20 30 HEEDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000771383448 1079316555 /nfs/dbraw/zinc/31/65/55/1079316555.db2.gz WBBDYFWSOOIWJO-CQSZACIVSA-N -1 3 407.410 2.444 20 30 HEEDHM COCc1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC001169560697 1079331742 /nfs/dbraw/zinc/33/17/42/1079331742.db2.gz NFSIXCHZSZPVDG-CYBMUJFWSA-N -1 3 417.487 2.297 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1cnn(C)c1C1CC1 ZINC000771475987 1079352585 /nfs/dbraw/zinc/35/25/85/1079352585.db2.gz JWAPTCMUQMONFS-HNNXBMFYSA-N -1 3 415.519 2.389 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nnc(CC(F)(F)F)s2)ccc1F ZINC000766787928 1079377874 /nfs/dbraw/zinc/37/78/74/1079377874.db2.gz BDFDBCWKWHJLHX-UHFFFAOYSA-N -1 3 424.401 2.499 20 30 HEEDHM CSC=CC([O-])=C(C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000771578083 1079378569 /nfs/dbraw/zinc/37/85/69/1079378569.db2.gz JNDZXRGSXZTTLB-CLOOOTJHSA-N -1 3 407.517 2.385 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCC(C)(C)CO ZINC000771628651 1079414251 /nfs/dbraw/zinc/41/42/51/1079414251.db2.gz AEONEIAXAPGSFA-MRXNPFEDSA-N -1 3 409.552 2.055 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)ccc1F ZINC000771678126 1079463535 /nfs/dbraw/zinc/46/35/35/1079463535.db2.gz OTMCNCDSYSHBPV-XIKOKIGWSA-N -1 3 410.442 2.281 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1ccn(C(C)C)n1 ZINC000737957496 1075947944 /nfs/dbraw/zinc/94/79/44/1075947944.db2.gz PRGUQGALHSHIFD-QGZVFWFLSA-N -1 3 417.535 2.378 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)ccc1F ZINC000766242186 1076100641 /nfs/dbraw/zinc/10/06/41/1076100641.db2.gz FOBVOMJUHOLOAY-HNNXBMFYSA-N -1 3 424.416 2.065 20 30 HEEDHM CCOC(=O)CN1CCC(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000740550231 1076191023 /nfs/dbraw/zinc/19/10/23/1076191023.db2.gz GRTXEYMURHDQDZ-UHFFFAOYSA-N -1 3 403.479 2.027 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1ccc(F)cc1OCC1CC1 ZINC000740805596 1076244735 /nfs/dbraw/zinc/24/47/35/1076244735.db2.gz HBDIITVWMKDILD-UHFFFAOYSA-N -1 3 403.435 2.292 20 30 HEEDHM C#CCOc1cc(F)ccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000741727319 1076608246 /nfs/dbraw/zinc/60/82/46/1076608246.db2.gz JWBSIMGFLOHAGR-UHFFFAOYSA-N -1 3 402.856 2.470 20 30 HEEDHM CCOc1ccc(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742523881 1076847721 /nfs/dbraw/zinc/84/77/21/1076847721.db2.gz HKHXOYLGYSLPNT-AWEZNQCLSA-N -1 3 401.488 2.219 20 30 HEEDHM C[C@H](CC(=O)N1CCc2cc(F)c(F)cc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742541309 1076849937 /nfs/dbraw/zinc/84/99/37/1076849937.db2.gz AKBXTLRVIMPAAE-LLVKDONJSA-N -1 3 405.426 2.371 20 30 HEEDHM C[C@H](CC(=O)N[C@@H](C)COc1cccc(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742570544 1076852478 /nfs/dbraw/zinc/85/24/78/1076852478.db2.gz SBFMHYGOVGLSHH-KGLIPLIRSA-N -1 3 419.478 2.227 20 30 HEEDHM C[C@H](CC(=O)Nc1cnn(-c2ccccc2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742587658 1076853733 /nfs/dbraw/zinc/85/37/33/1076853733.db2.gz UKHREBMOMONIKM-CQSZACIVSA-N -1 3 409.471 2.328 20 30 HEEDHM C[C@H](CC(=O)NCCc1ccc2ccccc2n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742591507 1076853856 /nfs/dbraw/zinc/85/38/56/1076853856.db2.gz IQHWPAPHNPMDCS-OAHLLOKOSA-N -1 3 422.510 2.411 20 30 HEEDHM C#CCN(Cc1ccc(F)cc1)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742592535 1076854403 /nfs/dbraw/zinc/85/44/03/1076854403.db2.gz QQEBMGQPFZZLRK-HNNXBMFYSA-N -1 3 413.474 2.305 20 30 HEEDHM CCCN(CCc1ccccn1)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742598019 1076854829 /nfs/dbraw/zinc/85/48/29/1076854829.db2.gz RCUYOACYROCYCP-INIZCTEOSA-N -1 3 414.531 2.380 20 30 HEEDHM C[C@H](CC(=O)NCc1cc(-c2ccccc2)on1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742611539 1076856268 /nfs/dbraw/zinc/85/62/68/1076856268.db2.gz AQJNGPVTAQWSHB-CQSZACIVSA-N -1 3 424.482 2.475 20 30 HEEDHM C[C@H](CC(=O)Nc1ccnn1[C@@H](C)C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742621275 1076857427 /nfs/dbraw/zinc/85/74/27/1076857427.db2.gz NDADVEIQIZKOCP-OLZOCXBDSA-N -1 3 401.492 2.310 20 30 HEEDHM CCOc1ccccc1CCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742625798 1076858674 /nfs/dbraw/zinc/85/86/74/1076858674.db2.gz UXPKOSPBMGTCGN-HNNXBMFYSA-N -1 3 415.515 2.261 20 30 HEEDHM C[C@H](CC(=O)NCc1coc(-c2ccccc2)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742705892 1076869329 /nfs/dbraw/zinc/86/93/29/1076869329.db2.gz JFQGYGJXSNGHCW-CQSZACIVSA-N -1 3 424.482 2.475 20 30 HEEDHM Cc1ccccc1O[C@H](C)CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742714100 1076873586 /nfs/dbraw/zinc/87/35/86/1076873586.db2.gz HCIYSRQJNKSIEY-HZPDHXFCSA-N -1 3 415.515 2.396 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(-c3ccncc3)nn2C)ccc1F ZINC000742718286 1076874080 /nfs/dbraw/zinc/87/40/80/1076874080.db2.gz OXZKHCSJBPKFNR-UHFFFAOYSA-N -1 3 415.450 2.338 20 30 HEEDHM C[C@H](CC(=O)NCCc1nc2ccccc2o1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743798923 1077122121 /nfs/dbraw/zinc/12/21/21/1077122121.db2.gz DVXCTZSVXJTDPT-CYBMUJFWSA-N -1 3 412.471 2.004 20 30 HEEDHM C[C@@H](CC(=O)OCc1cccc2c1OCCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744071621 1077312589 /nfs/dbraw/zinc/31/25/89/1077312589.db2.gz MCCCHCMMGPXPDZ-ZDUSSCGKSA-N -1 3 416.455 2.018 20 30 HEEDHM C#CCOc1cccc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744114051 1077328766 /nfs/dbraw/zinc/32/87/66/1077328766.db2.gz URMALPVEOIZPLW-OAHLLOKOSA-N -1 3 412.467 2.259 20 30 HEEDHM C#CCOc1cccc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744114048 1077328794 /nfs/dbraw/zinc/32/87/94/1077328794.db2.gz URMALPVEOIZPLW-HNNXBMFYSA-N -1 3 412.467 2.259 20 30 HEEDHM C[C@@H](CC(=O)OCCn1ncc2ccccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744166760 1077329316 /nfs/dbraw/zinc/32/93/16/1077329316.db2.gz IVMDHDVVAFOAPG-AWEZNQCLSA-N -1 3 412.471 2.097 20 30 HEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O ZINC000744589798 1077479506 /nfs/dbraw/zinc/47/95/06/1077479506.db2.gz MBMLOZJVVXZEKN-QGZVFWFLSA-N -1 3 417.462 2.330 20 30 HEEDHM C[C@@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)NC1(C#N)CCCCC1 ZINC000744725420 1077557113 /nfs/dbraw/zinc/55/71/13/1077557113.db2.gz OVIKTKBZWGXBFX-NVXWUHKLSA-N -1 3 413.474 2.271 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](O)Cc2ccccc2)ccc1F ZINC000747557060 1079723430 /nfs/dbraw/zinc/72/34/30/1079723430.db2.gz XDDVKERKFKNZSV-KDOFPFPSSA-N -1 3 406.479 2.012 20 30 HEEDHM Cc1cnn(-c2ccc(C)cc2NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000772234344 1079780099 /nfs/dbraw/zinc/78/00/99/1079780099.db2.gz ALNVJDWKIFNVFQ-UHFFFAOYSA-N -1 3 409.471 2.166 20 30 HEEDHM C[C@H](CC(=O)OCc1cccc2nsnc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000767354149 1079826282 /nfs/dbraw/zinc/82/62/82/1079826282.db2.gz RHMQMNQXNQHRTB-LLVKDONJSA-N -1 3 416.484 2.252 20 30 HEEDHM COCCCOc1cccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000746491431 1080092991 /nfs/dbraw/zinc/09/29/91/1080092991.db2.gz DDZCYUILBLYFOF-UHFFFAOYSA-N -1 3 407.448 2.464 20 30 HEEDHM C[C@@H](CC(=O)Nc1cccc(-n2ccnc2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742549207 1080246081 /nfs/dbraw/zinc/24/60/81/1080246081.db2.gz YOSBBTAMOXQQCP-AWEZNQCLSA-N -1 3 409.471 2.328 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3c2OCC[C@H]3O)ccc1F ZINC000768470126 1080587857 /nfs/dbraw/zinc/58/78/57/1080587857.db2.gz NFVIGBVALZYLLF-MRXNPFEDSA-N -1 3 406.435 2.358 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCc2cccc(C(=O)OC)c2)ccc1F ZINC000768520181 1080606816 /nfs/dbraw/zinc/60/68/16/1080606816.db2.gz HERBLHHZGMGEFN-UHFFFAOYSA-N -1 3 420.462 2.049 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2nncn2-c2ccccc2)ccc1F ZINC000768563317 1080631508 /nfs/dbraw/zinc/63/15/08/1080631508.db2.gz BEXSATJGUYTKAI-UHFFFAOYSA-N -1 3 416.434 2.228 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(O)c(OC)c2)ccc1F ZINC000769282299 1081030761 /nfs/dbraw/zinc/03/07/61/1081030761.db2.gz WHHSQCWAMMDOLW-UHFFFAOYSA-N -1 3 408.451 2.276 20 30 HEEDHM COc1ccc(OCCOC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000745495685 1078510803 /nfs/dbraw/zinc/51/08/03/1078510803.db2.gz HYAQLHBPRZIMRP-CQSZACIVSA-N -1 3 418.471 2.135 20 30 HEEDHM C[C@H](CC(=O)OCc1csc([N+](=O)[O-])c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496386 1078511338 /nfs/dbraw/zinc/51/13/38/1078511338.db2.gz LYYGTNOWCSZIBW-SNVBAGLBSA-N -1 3 409.445 2.217 20 30 HEEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nccn2c(Br)cnc12 ZINC000770098013 1078722419 /nfs/dbraw/zinc/72/24/19/1078722419.db2.gz BKTWSCNQNLYVLQ-JTQLQIEISA-N -1 3 414.219 2.462 20 30 HEEDHM CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770099480 1078722965 /nfs/dbraw/zinc/72/29/65/1078722965.db2.gz MGAYAOXRWYBPGM-WQJNHMDYSA-N -1 3 422.547 2.374 20 30 HEEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2cccc(OCC#N)c2)CCCC1 ZINC000746128896 1078799839 /nfs/dbraw/zinc/79/98/39/1078799839.db2.gz OLTDBMIORIYNDO-UHFFFAOYSA-N -1 3 418.475 2.424 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCc1cccc(O)c1 ZINC000746339940 1078865495 /nfs/dbraw/zinc/86/54/95/1078865495.db2.gz RXIJFSGSGZRLQP-GOSISDBHSA-N -1 3 415.515 2.348 20 30 HEEDHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccc(C#N)cc2Cl)cc1F ZINC000771164386 1079179738 /nfs/dbraw/zinc/17/97/38/1079179738.db2.gz SIDVWAAENPFMCT-UHFFFAOYSA-N -1 3 404.828 2.490 20 30 HEEDHM N#CCOc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000766668030 1079250207 /nfs/dbraw/zinc/25/02/07/1079250207.db2.gz GJOHGGLCZGILGG-UHFFFAOYSA-N -1 3 404.220 2.312 20 30 HEEDHM CCC[C@H](CCO)CNC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771655699 1079426640 /nfs/dbraw/zinc/42/66/40/1079426640.db2.gz VDXWEKDHFDCFSQ-WBVHZDCISA-N -1 3 409.552 2.055 20 30 HEEDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccc(C#N)cc2)ccc1F ZINC000741971718 1076700505 /nfs/dbraw/zinc/70/05/05/1076700505.db2.gz NRTDJILTOHSDFJ-UHFFFAOYSA-N -1 3 405.451 2.193 20 30 HEEDHM CC(=O)Nc1cccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742466102 1076842128 /nfs/dbraw/zinc/84/21/28/1076842128.db2.gz FKIXTBKWQNRMQV-GFCCVEGCSA-N -1 3 400.460 2.101 20 30 HEEDHM COc1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c(OC)c1 ZINC000742469364 1076842460 /nfs/dbraw/zinc/84/24/60/1076842460.db2.gz XULIKZPSVWWGCW-LBPRGKRZSA-N -1 3 403.460 2.160 20 30 HEEDHM C[C@H](CC(=O)N(C)CCOc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742477555 1076843006 /nfs/dbraw/zinc/84/30/06/1076843006.db2.gz IYOZBOXPJDEDOH-OAHLLOKOSA-N -1 3 401.488 2.041 20 30 HEEDHM COc1c(F)cc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1F ZINC000742566393 1076849687 /nfs/dbraw/zinc/84/96/87/1076849687.db2.gz GRGBJLBVABMHDP-SNVBAGLBSA-N -1 3 409.414 2.429 20 30 HEEDHM C[C@@H](CC(=O)N1CCc2cc(F)c(F)cc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742541310 1076849933 /nfs/dbraw/zinc/84/99/33/1076849933.db2.gz AKBXTLRVIMPAAE-NSHDSACASA-N -1 3 405.426 2.371 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccc(Cn2cccn2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742552246 1076851192 /nfs/dbraw/zinc/85/11/92/1076851192.db2.gz QBYQMVHKBHZIHF-HNNXBMFYSA-N -1 3 423.498 2.387 20 30 HEEDHM COC(=O)Nc1ccc(OC(=O)C[C@@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742549520 1076851243 /nfs/dbraw/zinc/85/12/43/1076851243.db2.gz DMSSPLHFTVIBRE-GFCCVEGCSA-N -1 3 417.443 2.288 20 30 HEEDHM Cc1ccc(OC[C@H](C)NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742590323 1076853753 /nfs/dbraw/zinc/85/37/53/1076853753.db2.gz QLKLEEHSFDLJFK-CVEARBPZSA-N -1 3 415.515 2.396 20 30 HEEDHM CCCN(CCc1ccccn1)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742598020 1076854861 /nfs/dbraw/zinc/85/48/61/1076854861.db2.gz RCUYOACYROCYCP-MRXNPFEDSA-N -1 3 414.531 2.380 20 30 HEEDHM COc1cc(Cl)ccc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742649343 1076857979 /nfs/dbraw/zinc/85/79/79/1076857979.db2.gz FZUCMPYTHKVPKE-GFCCVEGCSA-N -1 3 421.906 2.482 20 30 HEEDHM CCCOc1ccc(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742652509 1076858552 /nfs/dbraw/zinc/85/85/52/1076858552.db2.gz GTUVZXSQFTYCJB-AWEZNQCLSA-N -1 3 416.503 2.004 20 30 HEEDHM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742631612 1076859262 /nfs/dbraw/zinc/85/92/62/1076859262.db2.gz OLIMQISTCCNLJQ-GUYCJALGSA-N -1 3 413.499 2.370 20 30 HEEDHM C[C@@H](CC(=O)N1CCOc2cc(F)ccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742688211 1076866897 /nfs/dbraw/zinc/86/68/97/1076866897.db2.gz SQFJQCNHPDUZJV-LBPRGKRZSA-N -1 3 403.435 2.068 20 30 HEEDHM C[C@H](CC(=O)NC[C@H](C)Oc1cccc(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742714108 1076873517 /nfs/dbraw/zinc/87/35/17/1076873517.db2.gz HGAAELLLWSANFV-KGLIPLIRSA-N -1 3 419.478 2.227 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)ccc1F ZINC000742919829 1076897929 /nfs/dbraw/zinc/89/79/29/1076897929.db2.gz SGZZDJZJLHRBRN-NSHDSACASA-N -1 3 410.471 2.462 20 30 HEEDHM C[C@H](CC(=O)NC[C@H](O)c1ccccc1Cl)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743494181 1077061154 /nfs/dbraw/zinc/06/11/54/1077061154.db2.gz IAERGUPLTMDTFN-WBMJQRKESA-N -1 3 421.906 2.007 20 30 HEEDHM CCN(C[C@@H]1CCCO1)C(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743908246 1077222517 /nfs/dbraw/zinc/22/25/17/1077222517.db2.gz JQUYMMSKCFMBMH-DOTOQJQBSA-N -1 3 407.536 2.167 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCN2Cc3ccccc3C2)ccc1F ZINC000743921558 1077244008 /nfs/dbraw/zinc/24/40/08/1077244008.db2.gz NNIYGSPGGBZRNV-UHFFFAOYSA-N -1 3 403.479 2.036 20 30 HEEDHM C[C@H](CC(=O)[C@@H](C#N)c1nc2ccccc2n1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744010767 1077303328 /nfs/dbraw/zinc/30/33/28/1077303328.db2.gz ORDQOSFHACJILY-UKRRQHHQSA-N -1 3 421.482 2.267 20 30 HEEDHM C[C@@H](CC(=O)OCc1ccc(-n2cccn2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744049025 1077307675 /nfs/dbraw/zinc/30/76/75/1077307675.db2.gz GMXYJSJWIUEBAN-HNNXBMFYSA-N -1 3 424.482 2.433 20 30 HEEDHM COC(=O)c1cc(C)ccc1OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744108243 1077318427 /nfs/dbraw/zinc/31/84/27/1077318427.db2.gz SBDSPPWUGIXRMJ-CYBMUJFWSA-N -1 3 416.455 2.204 20 30 HEEDHM COc1ccc(OC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC000744321224 1077363288 /nfs/dbraw/zinc/36/32/88/1077363288.db2.gz MRLCYIMBRGCYMU-LBPRGKRZSA-N -1 3 404.444 2.127 20 30 HEEDHM CCc1cnc(COC(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)o1 ZINC000744460517 1077393564 /nfs/dbraw/zinc/39/35/64/1077393564.db2.gz UTYLAZXKJNXERJ-OAHLLOKOSA-N -1 3 405.476 2.434 20 30 HEEDHM COc1ccc([C@]2(C)NC(=O)N(N=Cc3cc(OC)c([O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000767109934 1079664614 /nfs/dbraw/zinc/66/46/14/1079664614.db2.gz GJJFQCBRDRLAHE-IBGZPJMESA-N -1 3 414.374 2.119 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2C(=O)N(C)C)ccc1F ZINC000767136018 1079698717 /nfs/dbraw/zinc/69/87/17/1079698717.db2.gz BAGDTWUDOTUULA-UHFFFAOYSA-N -1 3 423.441 2.383 20 30 HEEDHM C[C@H](CC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000772546214 1079927808 /nfs/dbraw/zinc/92/78/08/1079927808.db2.gz VJOSNJGLJZPDLL-KSXBUPQJSA-N -1 3 409.511 2.348 20 30 HEEDHM Cc1cncc(C=CC([O-])=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000772554173 1079961051 /nfs/dbraw/zinc/96/10/51/1079961051.db2.gz MGQXQJAMGVNWPF-HSWBROFVSA-N -1 3 408.370 2.430 20 30 HEEDHM COc1ccc(NC(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c(O)c1 ZINC000785689058 1080164801 /nfs/dbraw/zinc/16/48/01/1080164801.db2.gz OETDWHANKNDEQC-MRXNPFEDSA-N -1 3 417.487 2.493 20 30 HEEDHM CC[C@]1(C)CN(C(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCO1 ZINC000785673460 1080191290 /nfs/dbraw/zinc/19/12/90/1080191290.db2.gz PHOYYYAWBOYCBS-OXJNMPFZSA-N -1 3 407.536 2.167 20 30 HEEDHM Cc1nc(Cn2nnc(C([O-])=C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)c2C)no1 ZINC000786307212 1080555303 /nfs/dbraw/zinc/55/53/03/1080555303.db2.gz HOCXSBCTZIWROL-NSHDSACASA-N -1 3 417.788 2.080 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3c2CCN3C(C)=O)ccc1F ZINC000769014511 1080898665 /nfs/dbraw/zinc/89/86/65/1080898665.db2.gz CPFVJTKHZBWYHW-UHFFFAOYSA-N -1 3 417.462 2.451 20 30 HEEDHM COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000328604477 569417532 /nfs/dbraw/zinc/41/75/32/569417532.db2.gz KCUPMAHVMYCOMP-CQSZACIVSA-N -1 3 419.457 2.499 20 30 HEEDHM C[C@H](CC(=O)OCC(=O)c1ccc(F)c(F)c1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745494927 1078509365 /nfs/dbraw/zinc/50/93/65/1078509365.db2.gz CXZLTNMPQULVIF-LLVKDONJSA-N -1 3 422.409 2.208 20 30 HEEDHM C[C@@H](CC(=O)OCc1cn2ccccc2c1C#N)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495969 1078510743 /nfs/dbraw/zinc/51/07/43/1078510743.db2.gz KXUWGANQPFGWJX-AWEZNQCLSA-N -1 3 422.466 2.371 20 30 HEEDHM C[C@H](CC(=O)OCc1noc2c1CCCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496972 1078511920 /nfs/dbraw/zinc/51/19/20/1078511920.db2.gz PFPAOVZRRJMHEP-GFCCVEGCSA-N -1 3 403.460 2.114 20 30 HEEDHM C[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496450 1078512898 /nfs/dbraw/zinc/51/28/98/1078512898.db2.gz MVRIGWPXQYHCJM-ZIAGYGMSSA-N -1 3 415.471 2.074 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCSCC(F)(F)F)ccc1F ZINC000769754910 1078540800 /nfs/dbraw/zinc/54/08/00/1078540800.db2.gz SEHMVJVQXLDZDU-UHFFFAOYSA-N -1 3 400.419 2.315 20 30 HEEDHM CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770099478 1078723121 /nfs/dbraw/zinc/72/31/21/1078723121.db2.gz MGAYAOXRWYBPGM-FSEPTYSPSA-N -1 3 422.547 2.374 20 30 HEEDHM Cc1ccc(N(CCC#N)C(=O)COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1C ZINC000770101349 1078724523 /nfs/dbraw/zinc/72/45/23/1078724523.db2.gz TYQDKMBYWUHQNP-SFHVURJKSA-N -1 3 423.535 2.057 20 30 HEEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770110463 1078732901 /nfs/dbraw/zinc/73/29/01/1078732901.db2.gz KGRAEBGNGCMKDR-DZGCQCFKSA-N -1 3 416.565 2.158 20 30 HEEDHM CS(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1Br ZINC000770110099 1078733502 /nfs/dbraw/zinc/73/35/02/1078733502.db2.gz PHYRWMIRNDUICX-NSHDSACASA-N -1 3 422.260 2.209 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCC(c2cccc(F)c2F)CC1 ZINC000770144103 1078746635 /nfs/dbraw/zinc/74/66/35/1078746635.db2.gz KIZQGOQITOPVIB-UHFFFAOYSA-N -1 3 419.453 2.410 20 30 HEEDHM CS(=O)(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)c(Cl)s1 ZINC000770680631 1078931595 /nfs/dbraw/zinc/93/15/95/1078931595.db2.gz WGJXQIDURBLBBH-UHFFFAOYSA-N -1 3 408.885 2.294 20 30 HEEDHM C[C@H](CC(=O)N1CCc2ccc(F)cc2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771297344 1079271828 /nfs/dbraw/zinc/27/18/28/1079271828.db2.gz FKQGMJQFGIGCLK-CYBMUJFWSA-N -1 3 401.463 2.228 20 30 HEEDHM CCOc1cccc(CCNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000771298205 1079272488 /nfs/dbraw/zinc/27/24/88/1079272488.db2.gz IZBSDYXOTHLFEM-HNNXBMFYSA-N -1 3 415.515 2.261 20 30 HEEDHM COc1ccc(Cc2noc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)n2)c(F)c1 ZINC000771351871 1079301420 /nfs/dbraw/zinc/30/14/20/1079301420.db2.gz ANBMVMFQZCNAIW-UHFFFAOYSA-N -1 3 402.407 2.047 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCSC3(CCOCC3)C2)ccc1F ZINC000771582643 1079380900 /nfs/dbraw/zinc/38/09/00/1079380900.db2.gz IKCLOONNWPNDLA-UHFFFAOYSA-N -1 3 414.524 2.028 20 30 HEEDHM C[C@H](CC(=O)N(C)[C@@H](C)c1cccc(O)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771567565 1079387781 /nfs/dbraw/zinc/38/77/81/1079387781.db2.gz OFDTXUCDFSJWPA-KGLIPLIRSA-N -1 3 401.488 2.429 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2C(=O)NC)ccc1F ZINC000741199316 1076414591 /nfs/dbraw/zinc/41/45/91/1076414591.db2.gz YSKAVNFETXIPCZ-UHFFFAOYSA-N -1 3 405.451 2.210 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])ccc1F ZINC000742007886 1076715702 /nfs/dbraw/zinc/71/57/02/1076715702.db2.gz SKBAPFTWXLAGTK-UHFFFAOYSA-N -1 3 407.423 2.171 20 30 HEEDHM COc1ccccc1CN(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742476903 1076842819 /nfs/dbraw/zinc/84/28/19/1076842819.db2.gz DBEOVCYZVMFKOF-CQSZACIVSA-N -1 3 401.488 2.171 20 30 HEEDHM C[C@@H](CC(=O)N(C)CCOc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742477552 1076842854 /nfs/dbraw/zinc/84/28/54/1076842854.db2.gz IYOZBOXPJDEDOH-HNNXBMFYSA-N -1 3 401.488 2.041 20 30 HEEDHM C[C@@H](CC(=O)NCCCOc1ccccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742499799 1076845293 /nfs/dbraw/zinc/84/52/93/1076845293.db2.gz CUCFPZSLSUVDRA-AWEZNQCLSA-N -1 3 419.478 2.228 20 30 HEEDHM C[C@@H](CC(=O)NCCOc1ccc(Cl)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742487429 1076846916 /nfs/dbraw/zinc/84/69/16/1076846916.db2.gz QSCNKSCMDDXIQE-ZDUSSCGKSA-N -1 3 421.906 2.352 20 30 HEEDHM COc1ccc2c(c1)CCCN2C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742512326 1076848773 /nfs/dbraw/zinc/84/87/73/1076848773.db2.gz ZPBKPLOZKHPNKB-CQSZACIVSA-N -1 3 413.499 2.492 20 30 HEEDHM C[C@H](CC(=O)NCc1ccn(-c2ccccc2)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742563890 1076849494 /nfs/dbraw/zinc/84/94/94/1076849494.db2.gz TYKCJLVNKRBWLU-OAHLLOKOSA-N -1 3 423.498 2.006 20 30 HEEDHM COc1cc(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1C ZINC000742573584 1076852679 /nfs/dbraw/zinc/85/26/79/1076852679.db2.gz MKIGEKLPFWJZMT-CQSZACIVSA-N -1 3 401.488 2.137 20 30 HEEDHM CCOc1ccc(C#N)cc1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742581916 1076853316 /nfs/dbraw/zinc/85/33/16/1076853316.db2.gz XDSCIXJOSKQITH-CYBMUJFWSA-N -1 3 412.471 2.413 20 30 HEEDHM C[C@@H](CC(=O)NCc1ccc(-n2ccnc2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742590692 1076853882 /nfs/dbraw/zinc/85/38/82/1076853882.db2.gz SWRWTUFNOAIXCJ-HNNXBMFYSA-N -1 3 423.498 2.006 20 30 HEEDHM C[C@@H](CC(=O)Nc1cc(CC(C)(C)C)nn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742648761 1076858172 /nfs/dbraw/zinc/85/81/72/1076858172.db2.gz BBFSRXYUKFYORO-ZDUSSCGKSA-N -1 3 417.535 2.465 20 30 HEEDHM COC(=O)c1cc(C)ccc1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742638368 1076860170 /nfs/dbraw/zinc/86/01/70/1076860170.db2.gz CDBOFRXDLBODQH-CYBMUJFWSA-N -1 3 415.471 2.237 20 30 HEEDHM C[C@H](CC(=O)NCCOC1CCCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742687163 1076866633 /nfs/dbraw/zinc/86/66/33/1076866633.db2.gz GJRGPSHOYYRSFH-OAHLLOKOSA-N -1 3 407.536 2.359 20 30 HEEDHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000742781762 1076877594 /nfs/dbraw/zinc/87/75/94/1076877594.db2.gz MWAKSVNZRGFKDX-CXAGYDPISA-N -1 3 401.463 2.474 20 30 HEEDHM CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NO)c3c2)cc1 ZINC000742824560 1076883533 /nfs/dbraw/zinc/88/35/33/1076883533.db2.gz REYFCQTYTKPZSR-UHFFFAOYSA-N -1 3 403.416 2.259 20 30 HEEDHM C[C@@H](CC(=O)NCc1nc(-c2ccccc2)c[nH]1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000743322625 1077028809 /nfs/dbraw/zinc/02/88/09/1077028809.db2.gz BXSWKGZOHPBOEH-AWEZNQCLSA-N -1 3 423.498 2.210 20 30 HEEDHM CCS(=O)(=O)Nc1ccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000743448732 1077051577 /nfs/dbraw/zinc/05/15/77/1077051577.db2.gz CIZWZEDUVSHSEM-UHFFFAOYSA-N -1 3 409.533 2.334 20 30 HEEDHM C[C@H](CC(=O)OCc1ccc2c(c1)CCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744104246 1077317627 /nfs/dbraw/zinc/31/76/27/1077317627.db2.gz YNXAAKKLJUHEKV-CYBMUJFWSA-N -1 3 400.456 2.182 20 30 HEEDHM C[C@@H](CC(=O)Oc1ccc2c(c1)OCCCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744098379 1077322579 /nfs/dbraw/zinc/32/25/79/1077322579.db2.gz 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3 406.358 2.087 20 30 HEEDHM CCCOc1ccc2c(c1)CCN(C(=O)C/N=C1/[N-]S(=O)(=O)c3ccccc31)C2 ZINC000772239643 1079781598 /nfs/dbraw/zinc/78/15/98/1079781598.db2.gz XBMIKMHOHFCNDE-UHFFFAOYSA-N -1 3 413.499 2.099 20 30 HEEDHM Cc1nc(COC(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)oc1C ZINC000746538643 1079871407 /nfs/dbraw/zinc/87/14/07/1079871407.db2.gz XOGRWKCETSIXDY-OAHLLOKOSA-N -1 3 405.476 2.488 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c[nH]nc2-c2ccccn2)ccc1F ZINC000767764609 1080076310 /nfs/dbraw/zinc/07/63/10/1080076310.db2.gz CMHJMDNXKDQDAG-UHFFFAOYSA-N -1 3 401.423 2.327 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1cnn(C(F)F)c1 ZINC000767892343 1080208093 /nfs/dbraw/zinc/20/80/93/1080208093.db2.gz NNEOPKRIDYSTTI-ZDUSSCGKSA-N -1 3 411.434 2.370 20 30 HEEDHM C[C@H](CC(=O)N[C@@H](C)CC(=O)c1ccccc1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000769261811 1081020514 /nfs/dbraw/zinc/02/05/14/1081020514.db2.gz UJRCJHFBMAKKNK-LSDHHAIUSA-N -1 3 413.499 2.281 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1O ZINC000769359822 1081053597 /nfs/dbraw/zinc/05/35/97/1081053597.db2.gz HMDHVDPUOYPZEB-INIZCTEOSA-N -1 3 401.488 2.162 20 30 HEEDHM Cc1cccc2nc(COC(=O)C[C@@H](C)/N=C3/[N-]S(=O)(=O)c4ccccc43)cn21 ZINC000745495261 1078508305 /nfs/dbraw/zinc/50/83/05/1078508305.db2.gz FHFDSBKWOZRPLI-CYBMUJFWSA-N -1 3 412.471 2.203 20 30 HEEDHM C[C@H](CC(=O)OCCc1ccc([N+](=O)[O-])cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497896 1078513506 /nfs/dbraw/zinc/51/35/06/1078513506.db2.gz XONKXPHKHVABGI-CYBMUJFWSA-N -1 3 417.443 2.198 20 30 HEEDHM C[C@H](CC(=O)NCC1(C)Cc2ccccc2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000769758446 1078542507 /nfs/dbraw/zinc/54/25/07/1078542507.db2.gz CTWRYRUYBWWDKW-OAHLLOKOSA-N -1 3 411.527 2.425 20 30 HEEDHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c([O-])c1O ZINC000770475376 1078874871 /nfs/dbraw/zinc/87/48/71/1078874871.db2.gz DFRLWHVTPQCIBC-LTGZKZEYSA-N -1 3 403.460 2.471 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccnn2-c2cc(C)ccn2)ccc1F ZINC000766784490 1079369683 /nfs/dbraw/zinc/36/96/83/1079369683.db2.gz GSHWHITWCFQQOF-UHFFFAOYSA-N -1 3 415.450 2.431 20 30 HEEDHM CN1CCN(c2ccc(CN=Nc3nc4c(cnn4C(C)(C)C)c(=O)[n-]3)cc2)CC1 ZINC000771559660 1079385507 /nfs/dbraw/zinc/38/55/07/1079385507.db2.gz KIPOGGJXIXLEFX-UHFFFAOYSA-N -1 3 408.510 2.485 20 30 HEEDHM C#CCN(CC#CC)C(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000771684895 1079449655 /nfs/dbraw/zinc/44/96/55/1079449655.db2.gz VFVMQVNBOSTGKX-UHFFFAOYSA-N -1 3 404.207 2.231 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741440554 1076530791 /nfs/dbraw/zinc/53/07/91/1076530791.db2.gz OPWMFEMPMLLRCE-UHFFFAOYSA-N -1 3 409.807 2.030 20 30 HEEDHM CCc1nc(C)c([C@H](C)N(C)C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000741578415 1076551428 /nfs/dbraw/zinc/55/14/28/1076551428.db2.gz OOWLJHQPGSTOOT-LBPRGKRZSA-N -1 3 406.533 2.272 20 30 HEEDHM COc1ccc([C@H](C)CCNC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000741613617 1076555340 /nfs/dbraw/zinc/55/53/40/1076555340.db2.gz YECYNLVHZUFAEN-CQSZACIVSA-N -1 3 401.488 2.044 20 30 HEEDHM CCO[C@@H]1C[C@H](N(C)C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C12CCCCC2 ZINC000741648207 1076569473 /nfs/dbraw/zinc/56/94/73/1076569473.db2.gz LORPDGHNDSEVGM-ZWKOTPCHSA-N -1 3 419.547 2.311 20 30 HEEDHM CCO[C@@H]1C[C@@H](N(C)C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C12CCCCC2 ZINC000741648200 1076569488 /nfs/dbraw/zinc/56/94/88/1076569488.db2.gz LORPDGHNDSEVGM-QZTJIDSGSA-N -1 3 419.547 2.311 20 30 HEEDHM COc1ccc(NC(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)nc1 ZINC000742137202 1076752588 /nfs/dbraw/zinc/75/25/88/1076752588.db2.gz YXXXCFYTAVIZEE-OAHLLOKOSA-N -1 3 402.476 2.182 20 30 HEEDHM CC(=O)Nc1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742464027 1076841813 /nfs/dbraw/zinc/84/18/13/1076841813.db2.gz XVLODUJHPJKRRA-LBPRGKRZSA-N -1 3 400.460 2.101 20 30 HEEDHM C[C@H](CC(=O)NCCCN(C)c1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742490805 1076844426 /nfs/dbraw/zinc/84/44/26/1076844426.db2.gz FEWBRATXVCNGGY-MRXNPFEDSA-N -1 3 414.531 2.146 20 30 HEEDHM C[C@H](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742495031 1076844883 /nfs/dbraw/zinc/84/48/83/1076844883.db2.gz IJDLULSSVHZZOD-SNVBAGLBSA-N -1 3 423.397 2.464 20 30 HEEDHM C[C@H](CC(=O)NCc1ccccc1OC(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742506654 1076846185 /nfs/dbraw/zinc/84/61/85/1076846185.db2.gz QFXMRLMTYYEIGR-GFCCVEGCSA-N -1 3 423.441 2.422 20 30 HEEDHM CC(=O)Nc1cc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1F ZINC000742510543 1076846410 /nfs/dbraw/zinc/84/64/10/1076846410.db2.gz FTXKNQYNJAQPBL-LLVKDONJSA-N -1 3 418.450 2.240 20 30 HEEDHM CC(=O)Nc1cccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000742517668 1076846953 /nfs/dbraw/zinc/84/69/53/1076846953.db2.gz CDFDZPBNBHNIHA-LBPRGKRZSA-N -1 3 414.487 2.409 20 30 HEEDHM C[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742517822 1076847047 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/nfs/dbraw/zinc/85/95/05/1076859505.db2.gz BUIJVKPPPJVINP-CYBMUJFWSA-N -1 3 415.471 2.237 20 30 HEEDHM CCOc1ccc(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1F ZINC000742643154 1076860848 /nfs/dbraw/zinc/86/08/48/1076860848.db2.gz NSVPZESSSLJJIH-ZDUSSCGKSA-N -1 3 419.478 2.358 20 30 HEEDHM CCN(C)c1ccccc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742643972 1076860871 /nfs/dbraw/zinc/86/08/71/1076860871.db2.gz AXSCBINXLVFUHT-HNNXBMFYSA-N -1 3 414.531 2.276 20 30 HEEDHM C[C@H](CC(=O)NCCCSc1nccs1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742668875 1076862794 /nfs/dbraw/zinc/86/27/94/1076862794.db2.gz CTUNSLXZQCBQBM-GFCCVEGCSA-N -1 3 424.573 2.259 20 30 HEEDHM C[C@H](CC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742681743 1076866052 /nfs/dbraw/zinc/86/60/52/1076866052.db2.gz JNAIHKVTGLRYBE-AXAPSJFSSA-N -1 3 419.453 2.454 20 30 HEEDHM C[C@H](CC(=O)N1CCOc2cc(F)ccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742688208 1076866905 /nfs/dbraw/zinc/86/69/05/1076866905.db2.gz SQFJQCNHPDUZJV-GFCCVEGCSA-N -1 3 403.435 2.068 20 30 HEEDHM C[C@H](CC(=O)N1CCCN(C)c2ccccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742694478 1076867406 /nfs/dbraw/zinc/86/74/06/1076867406.db2.gz RZOVOFROEVIFBK-OAHLLOKOSA-N -1 3 412.515 2.377 20 30 HEEDHM CC(C)[C@H](NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccn1 ZINC000742691595 1076867413 /nfs/dbraw/zinc/86/74/13/1076867413.db2.gz PLNAMCGAWAMKQG-KUHUBIRLSA-N -1 3 400.504 2.412 20 30 HEEDHM CCc1ccc([C@H](COC)NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)o1 ZINC000742704271 1076869125 /nfs/dbraw/zinc/86/91/25/1076869125.db2.gz AJPLPVQRBFDDPL-CJNGLKHVSA-N -1 3 419.503 2.163 20 30 HEEDHM C[C@H](CC(=O)Nc1cc(CC(C)(C)C)[nH]n1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000742705580 1076869338 /nfs/dbraw/zinc/86/93/38/1076869338.db2.gz XKPWCFXZFDTWMT-GFCCVEGCSA-N -1 3 403.508 2.454 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ccc1F ZINC000742952562 1076899963 /nfs/dbraw/zinc/89/99/63/1076899963.db2.gz LMVCDYYPOYXGCY-UHFFFAOYSA-N -1 3 419.478 2.395 20 30 HEEDHM C[C@H](CC(=O)NC[C@H](O)c1ccc(Cl)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743303110 1077022466 /nfs/dbraw/zinc/02/24/66/1077022466.db2.gz RMGAGRQGLPRMFQ-WBMJQRKESA-N -1 3 421.906 2.007 20 30 HEEDHM COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000743336753 1077030187 /nfs/dbraw/zinc/03/01/87/1077030187.db2.gz LUXLVZDCZBYUKS-OLZOCXBDSA-N -1 3 417.487 2.095 20 30 HEEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(C)=O)s2)cc1OC ZINC000743450245 1077051510 /nfs/dbraw/zinc/05/15/10/1077051510.db2.gz YUNKKQCTSUFSRV-AWEZNQCLSA-N -1 3 401.444 2.363 20 30 HEEDHM C[C@H](CC(=O)OCCOCc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744177657 1077335957 /nfs/dbraw/zinc/33/59/57/1077335957.db2.gz OSZBYBLSKTWYPA-OAHLLOKOSA-N -1 3 402.472 2.264 20 30 HEEDHM N#Cc1ccc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1C(F)(F)F ZINC000744371039 1077370457 /nfs/dbraw/zinc/37/04/57/1077370457.db2.gz KVLBIAJCKZUCPG-UHFFFAOYSA-N -1 3 408.361 2.254 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H](C)c1nnc(C)o1 ZINC000744486458 1077413889 /nfs/dbraw/zinc/41/38/89/1077413889.db2.gz DMIFETAVFMUMAM-RISCZKNCSA-N -1 3 406.464 2.280 20 30 HEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000744590668 1077480747 /nfs/dbraw/zinc/48/07/47/1077480747.db2.gz YMWKNSPDERRQMD-UHFFFAOYSA-N -1 3 413.478 2.421 20 30 HEEDHM C[C@@H](CC(=O)OCc1cccc2nsnc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000767354151 1079826237 /nfs/dbraw/zinc/82/62/37/1079826237.db2.gz RHMQMNQXNQHRTB-NSHDSACASA-N -1 3 416.484 2.252 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](COC)Cc2ccccc2)ccc1F ZINC000746581106 1080563800 /nfs/dbraw/zinc/56/38/00/1080563800.db2.gz LVYDBQYHHJDDKW-QGZVFWFLSA-N -1 3 406.479 2.278 20 30 HEEDHM CC(C)(C)Oc1cccc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000768545645 1080647955 /nfs/dbraw/zinc/64/79/55/1080647955.db2.gz KEFHFYQPNILLOV-UHFFFAOYSA-N -1 3 403.460 2.041 20 30 HEEDHM C[C@H](CC(=O)Nc1nc2ccc(F)cc2n1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768547350 1080648827 /nfs/dbraw/zinc/64/88/27/1080648827.db2.gz JDINYKPNTMWOOR-LLVKDONJSA-N -1 3 415.450 2.168 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3cc(O)ccc3C2)ccc1F ZINC000768788362 1080798582 /nfs/dbraw/zinc/79/85/82/1080798582.db2.gz AVKXCMDJRKNSLA-MRXNPFEDSA-N -1 3 404.463 2.283 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(O)cc1 ZINC000769366156 1081054320 /nfs/dbraw/zinc/05/43/20/1081054320.db2.gz SVHVIJOEVCVRLC-SFHVURJKSA-N -1 3 415.515 2.204 20 30 HEEDHM C[C@@H](CC(=O)OCC(=O)c1ccccc1F)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745498262 1078513001 /nfs/dbraw/zinc/51/30/01/1078513001.db2.gz ZWQUVPFWRIGLES-LBPRGKRZSA-N -1 3 404.419 2.069 20 30 HEEDHM C[C@@H](CC(=O)OCCc1ccc([N+](=O)[O-])cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745497897 1078513698 /nfs/dbraw/zinc/51/36/98/1078513698.db2.gz XONKXPHKHVABGI-ZDUSSCGKSA-N -1 3 417.443 2.198 20 30 HEEDHM Cc1ccsc1-c1nsc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000770110297 1078732994 /nfs/dbraw/zinc/73/29/94/1078732994.db2.gz CHTXPCOYFNAFSI-UHFFFAOYSA-N -1 3 419.513 2.252 20 30 HEEDHM CS(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1Br ZINC000770110095 1078733592 /nfs/dbraw/zinc/73/35/92/1078733592.db2.gz PHYRWMIRNDUICX-LLVKDONJSA-N -1 3 422.260 2.209 20 30 HEEDHM CCCC[C@H](N=C1[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000766692521 1079282280 /nfs/dbraw/zinc/28/22/80/1079282280.db2.gz PCQMOGJWFOGQOL-HOTGVXAUSA-N -1 3 415.519 2.201 20 30 HEEDHM CSC=CC([O-])=C(C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000771578097 1079378528 /nfs/dbraw/zinc/37/85/28/1079378528.db2.gz JNDZXRGSXZTTLB-YCABEKBOSA-N -1 3 407.517 2.385 20 30 HEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCOc1cccc(S(C)(=O)=O)c1 ZINC000738598583 1076007919 /nfs/dbraw/zinc/00/79/19/1076007919.db2.gz RXNKRQIVIRSZNW-UHFFFAOYSA-N -1 3 418.471 2.234 20 30 HEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C2=NCC(C)(C)S2)CC1 ZINC000740714280 1076214932 /nfs/dbraw/zinc/21/49/32/1076214932.db2.gz SBLRYZAHYQOYDT-UHFFFAOYSA-N -1 3 401.536 2.234 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@](C)(O)[C@H](C)CC ZINC000740747642 1076233462 /nfs/dbraw/zinc/23/34/62/1076233462.db2.gz MJBUZFBYFFQJBR-IIMJZQEZSA-N -1 3 409.552 2.197 20 30 HEEDHM CCCOC(=O)[C@H](C)OC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000741827499 1076647690 /nfs/dbraw/zinc/64/76/90/1076647690.db2.gz AHPXZYSNPWNYSD-ZFWWWQNUSA-N -1 3 410.492 2.025 20 30 HEEDHM COC(C)(C)C[C@H](C)NC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742099563 1076741907 /nfs/dbraw/zinc/74/19/07/1076741907.db2.gz PMVRBGFOCQORLP-GOEBONIOSA-N -1 3 409.552 2.460 20 30 HEEDHM COC(C)(C)C[C@H](C)NC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742099569 1076741920 /nfs/dbraw/zinc/74/19/20/1076741920.db2.gz PMVRBGFOCQORLP-HOCLYGCPSA-N -1 3 409.552 2.460 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2cc(=O)[nH]c3ccccc23)ccc1F ZINC000742185878 1076775598 /nfs/dbraw/zinc/77/55/98/1076775598.db2.gz XODACRGEQKOKCK-UHFFFAOYSA-N -1 3 415.446 2.474 20 30 HEEDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742464666 1076841986 /nfs/dbraw/zinc/84/19/86/1076841986.db2.gz MJDLHFRLQBEMPR-LBPRGKRZSA-N -1 3 402.432 2.359 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccc2c(c1)OCCCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742481876 1076843019 /nfs/dbraw/zinc/84/30/19/1076843019.db2.gz CICPLUAKWNBAEF-ZDUSSCGKSA-N -1 3 415.471 2.304 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccc(N2CCCC2)nc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742505080 1076846019 /nfs/dbraw/zinc/84/60/19/1076846019.db2.gz ONFMSZNMLPHTNN-AWEZNQCLSA-N -1 3 413.503 2.138 20 30 HEEDHM COc1ccc(CN(C)C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1F ZINC000742486123 1076846769 /nfs/dbraw/zinc/84/67/69/1076846769.db2.gz QCMWKJRBIICXQQ-ZDUSSCGKSA-N -1 3 419.478 2.310 20 30 HEEDHM Cc1cccc(OCCNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742486324 1076846783 /nfs/dbraw/zinc/84/67/83/1076846783.db2.gz UXJIXUKKIFFGCI-HNNXBMFYSA-N -1 3 401.488 2.007 20 30 HEEDHM C[C@H](CC(=O)N(C)Cc1ccc(Cl)nc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742519004 1076847128 /nfs/dbraw/zinc/84/71/28/1076847128.db2.gz QCZBKCAQJFMQOC-GFCCVEGCSA-N -1 3 406.895 2.211 20 30 HEEDHM CCOCc1ccccc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742527139 1076847852 /nfs/dbraw/zinc/84/78/52/1076847852.db2.gz IFTOBHMKSHHUMY-HNNXBMFYSA-N -1 3 415.515 2.357 20 30 HEEDHM C[C@H](CC(=O)NCc1ncc(-c2ccccc2)o1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742537553 1076848723 /nfs/dbraw/zinc/84/87/23/1076848723.db2.gz XSLJVUPWYIIACZ-CQSZACIVSA-N -1 3 424.482 2.475 20 30 HEEDHM C[C@H](CC(=O)N1CCO[C@H](c2ccccc2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742513421 1076849107 /nfs/dbraw/zinc/84/91/07/1076849107.db2.gz BBERPVVQKNSPOM-QAPCUYQASA-N -1 3 413.499 2.104 20 30 HEEDHM C[C@@H](CC(=O)NCc1ccn(-c2ccccc2)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742563889 1076849509 /nfs/dbraw/zinc/84/95/09/1076849509.db2.gz TYKCJLVNKRBWLU-HNNXBMFYSA-N -1 3 423.498 2.006 20 30 HEEDHM C[C@@H](CC(=O)NCCOc1cccc(Cl)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742543037 1076850269 /nfs/dbraw/zinc/85/02/69/1076850269.db2.gz ABVQVXHGUSRENU-ZDUSSCGKSA-N -1 3 421.906 2.352 20 30 HEEDHM Cc1nccn1-c1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742545881 1076850675 /nfs/dbraw/zinc/85/06/75/1076850675.db2.gz VTARURNXNFKZGP-ZDUSSCGKSA-N -1 3 424.486 2.032 20 30 HEEDHM Cc1nccn1-c1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742545880 1076850723 /nfs/dbraw/zinc/85/07/23/1076850723.db2.gz VTARURNXNFKZGP-CYBMUJFWSA-N -1 3 424.486 2.032 20 30 HEEDHM COc1ccc(CCCNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742568588 1076852185 /nfs/dbraw/zinc/85/21/85/1076852185.db2.gz ACUHBRJPYBONTR-HNNXBMFYSA-N -1 3 415.515 2.261 20 30 HEEDHM Cc1cccc(OC[C@H](C)NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742575089 1076852833 /nfs/dbraw/zinc/85/28/33/1076852833.db2.gz XEESTSLGAHDMHL-CVEARBPZSA-N -1 3 415.515 2.396 20 30 HEEDHM CC(=O)N(C)c1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742591338 1076853887 /nfs/dbraw/zinc/85/38/87/1076853887.db2.gz DBRVKXPRJDINRT-ZDUSSCGKSA-N -1 3 414.487 2.125 20 30 HEEDHM COC[C@H](NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC000742620659 1076857457 /nfs/dbraw/zinc/85/74/57/1076857457.db2.gz FRCZYJKFBJIPTE-PBHICJAKSA-N -1 3 401.488 2.008 20 30 HEEDHM C[C@H](CC(=O)Nc1cc(CC(C)(C)C)nn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742648760 1076858133 /nfs/dbraw/zinc/85/81/33/1076858133.db2.gz BBFSRXYUKFYORO-CYBMUJFWSA-N -1 3 417.535 2.465 20 30 HEEDHM C[C@@H](CC(=O)N1CCCN(C)c2ccccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742694477 1076867343 /nfs/dbraw/zinc/86/73/43/1076867343.db2.gz RZOVOFROEVIFBK-HNNXBMFYSA-N -1 3 412.515 2.377 20 30 HEEDHM CCc1ccc([C@H](COC)NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)o1 ZINC000742704268 1076869114 /nfs/dbraw/zinc/86/91/14/1076869114.db2.gz AJPLPVQRBFDDPL-BBRMVZONSA-N -1 3 419.503 2.163 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)ccc1F ZINC000742785306 1076878690 /nfs/dbraw/zinc/87/86/90/1076878690.db2.gz YCBVFXJCGZBTHU-UHFFFAOYSA-N -1 3 408.455 2.159 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCOc3ccc(OC)cc32)ccc1F ZINC000742841267 1076885920 /nfs/dbraw/zinc/88/59/20/1076885920.db2.gz UQUNCBNQXFQDFX-UHFFFAOYSA-N -1 3 406.435 2.338 20 30 HEEDHM C[C@@H](CC(=O)N1CCC(C(F)(F)F)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742858337 1076889346 /nfs/dbraw/zinc/88/93/46/1076889346.db2.gz PMTZZMJTJMTQBX-NSHDSACASA-N -1 3 403.426 2.305 20 30 HEEDHM C[C@H](CC(=O)N=c1sc2ccccc2n1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743299759 1077022312 /nfs/dbraw/zinc/02/23/12/1077022312.db2.gz LCOQDXXCJPNVGO-GFCCVEGCSA-N -1 3 414.512 2.184 20 30 HEEDHM COc1ccc([N+](=O)[O-])cc1OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744026772 1077298903 /nfs/dbraw/zinc/29/89/03/1077298903.db2.gz WXOZCBDRWWXYBH-LLVKDONJSA-N -1 3 419.415 2.026 20 30 HEEDHM COc1ccc(C2CCN(C(=O)C/N=C3/[N-]S(=O)(=O)c4ccccc43)CC2)cc1 ZINC000744636944 1077517542 /nfs/dbraw/zinc/51/75/42/1077517542.db2.gz XJEPVPWVBHVNCU-UHFFFAOYSA-N -1 3 413.499 2.140 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@@H](OC)C(C)(C)C ZINC000744698213 1077547037 /nfs/dbraw/zinc/54/70/37/1077547037.db2.gz PVWRZWWHFWOFBS-DOTOQJQBSA-N -1 3 409.552 2.461 20 30 HEEDHM Cc1ncc(CO)c(C=NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c1[O-] ZINC000744797073 1077597063 /nfs/dbraw/zinc/59/70/63/1077597063.db2.gz WVJDGHHRPPDVFK-UHFFFAOYSA-N -1 3 416.437 2.417 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N(C)C)cn1 ZINC000745135577 1077748654 /nfs/dbraw/zinc/74/86/54/1077748654.db2.gz BOIHJXCDKLEYSN-INIZCTEOSA-N -1 3 415.519 2.240 20 30 HEEDHM Cc1c(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cnn1CC(C)C ZINC000767146638 1079713647 /nfs/dbraw/zinc/71/36/47/1079713647.db2.gz JALNLZODELMWOQ-CYBMUJFWSA-N -1 3 403.508 2.303 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)ccc1F ZINC000747557063 1079723509 /nfs/dbraw/zinc/72/35/09/1079723509.db2.gz XDDVKERKFKNZSV-KSSFIOAISA-N -1 3 406.479 2.012 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCOCc2ccc(OC)cc2)ccc1F ZINC000772174535 1079739163 /nfs/dbraw/zinc/73/91/63/1079739163.db2.gz IWDJORGLAUUYSZ-UHFFFAOYSA-N -1 3 422.478 2.245 20 30 HEEDHM COc1ccc(C#N)cc1COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000772266885 1079770030 /nfs/dbraw/zinc/77/00/30/1079770030.db2.gz LOEDSQBEBMVUOS-UHFFFAOYSA-N -1 3 400.865 2.303 20 30 HEEDHM C[C@H](CC(=O)N1CCc2cccc(F)c2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000767425559 1079858017 /nfs/dbraw/zinc/85/80/17/1079858017.db2.gz KORXPYDWRWDTFQ-CYBMUJFWSA-N -1 3 401.463 2.228 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCc1cnc(C)s1 ZINC000772537102 1079919493 /nfs/dbraw/zinc/91/94/93/1079919493.db2.gz YAJZWVINEXIIEY-INIZCTEOSA-N -1 3 420.560 2.408 20 30 HEEDHM N#C[C@@H]1CN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CCN1C1CC1 ZINC000767921046 1080216245 /nfs/dbraw/zinc/21/62/45/1080216245.db2.gz JGGAGXDGHKUBHH-GFCCVEGCSA-N -1 3 406.364 2.239 20 30 HEEDHM C[C@H](CC(=O)Nc1cccc(-n2ccnc2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742549208 1080246015 /nfs/dbraw/zinc/24/60/15/1080246015.db2.gz YOSBBTAMOXQQCP-CQSZACIVSA-N -1 3 409.471 2.328 20 30 HEEDHM CC(C)CC[C@](C)(O)CNC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743775285 1080795438 /nfs/dbraw/zinc/79/54/38/1080795438.db2.gz KRXVLXUZRWQCFF-UTKZUKDTSA-N -1 3 423.579 2.443 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc3c(n2)CCCC3)ccc1F ZINC000769013186 1080898758 /nfs/dbraw/zinc/89/87/58/1080898758.db2.gz OVWHGEYUGQMLOT-UHFFFAOYSA-N -1 3 403.479 2.494 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(-c3nccn3C)cs2)ccc1F ZINC000769338339 1081048507 /nfs/dbraw/zinc/04/85/07/1081048507.db2.gz QNFJBXURVUWXMT-UHFFFAOYSA-N -1 3 421.479 2.399 20 30 HEEDHM COC(=O)c1cc(S(=O)(=O)[N-]CC2CCN(CC#N)CC2)c(Cl)cc1Cl ZINC000769430531 1081071562 /nfs/dbraw/zinc/07/15/62/1081071562.db2.gz LEDOUCSZDKADIO-UHFFFAOYSA-N -1 3 420.318 2.294 20 30 HEEDHM C[C@H](CC(=O)OCCOc1cccc(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495217 1078508972 /nfs/dbraw/zinc/50/89/72/1078508972.db2.gz FKXLUZNTGODSJX-CYBMUJFWSA-N -1 3 406.435 2.265 20 30 HEEDHM C[C@@H](CC(=O)OCc1noc2c1CCCC2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496974 1078512148 /nfs/dbraw/zinc/51/21/48/1078512148.db2.gz PFPAOVZRRJMHEP-LBPRGKRZSA-N -1 3 403.460 2.114 20 30 HEEDHM Cc1ccc2nc(COC(=O)C[C@@H](C)/N=C3/[N-]S(=O)(=O)c4ccccc43)cn2c1 ZINC000745497908 1078513471 /nfs/dbraw/zinc/51/34/71/1078513471.db2.gz XWLGDJSJZCMQCI-CQSZACIVSA-N -1 3 412.471 2.203 20 30 HEEDHM CC(C)c1noc([C@@H](C)OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000745497810 1078513800 /nfs/dbraw/zinc/51/38/00/1078513800.db2.gz SJOOSAOOAXZGGF-VXGBXAGGSA-N -1 3 406.464 2.315 20 30 HEEDHM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1C#N ZINC000770110276 1078732915 /nfs/dbraw/zinc/73/29/15/1078732915.db2.gz JHLUBIVCECHTRC-KRWDZBQOSA-N -1 3 404.492 2.060 20 30 HEEDHM CCS(=O)(=O)c1ccc(N2CCC(/N=C\c3c([O-])c(C)ncc3CO)CC2)cc1 ZINC000746340408 1078866490 /nfs/dbraw/zinc/86/64/90/1078866490.db2.gz IHJCSZXXYRYXBI-QRVIBDJDSA-N -1 3 417.531 2.469 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nccs1 ZINC000746361659 1078874938 /nfs/dbraw/zinc/87/49/38/1078874938.db2.gz LYQSVUXFDPYAQO-CQSZACIVSA-N -1 3 406.533 2.399 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)CC(C)(C)C ZINC000770805196 1079026935 /nfs/dbraw/zinc/02/69/35/1079026935.db2.gz IZULJTURMMOYBT-ZBFHGGJFSA-N -1 3 409.552 2.053 20 30 HEEDHM CN(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000770846510 1079035330 /nfs/dbraw/zinc/03/53/30/1079035330.db2.gz KGRYQICPXUMLOH-LBPRGKRZSA-N -1 3 424.841 2.086 20 30 HEEDHM C[C@@H](CC(=O)N1CCc2ccc(F)cc2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771297345 1079271659 /nfs/dbraw/zinc/27/16/59/1079271659.db2.gz FKQGMJQFGIGCLK-ZDUSSCGKSA-N -1 3 401.463 2.228 20 30 HEEDHM CSC=CC([O-])=C(C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000771578094 1079378444 /nfs/dbraw/zinc/37/84/44/1079378444.db2.gz JNDZXRGSXZTTLB-KXKDPZRNSA-N -1 3 407.517 2.385 20 30 HEEDHM COC(=O)[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000740237208 1076130406 /nfs/dbraw/zinc/13/04/06/1076130406.db2.gz SLNDYXRDLKSEIP-INIZCTEOSA-N -1 3 406.391 2.140 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000741235725 1076428890 /nfs/dbraw/zinc/42/88/90/1076428890.db2.gz UJZUYDMUGKKBRT-CWLKWCNXSA-N -1 3 419.547 2.070 20 30 HEEDHM CCc1noc([C@H](C)OC(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000741832832 1076650496 /nfs/dbraw/zinc/65/04/96/1076650496.db2.gz ZVRIHJADKZIDTQ-JSGCOSHPSA-N -1 3 420.491 2.390 20 30 HEEDHM CN1CCCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c2cc(Cl)ccc21 ZINC000741967391 1076687956 /nfs/dbraw/zinc/68/79/56/1076687956.db2.gz WNPSQWIPCZHLAY-UHFFFAOYSA-N -1 3 418.906 2.252 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCC(OCC2CCCCC2)CC1 ZINC000741999263 1076712495 /nfs/dbraw/zinc/71/24/95/1076712495.db2.gz WIQRSBOCUAYPIX-UHFFFAOYSA-N -1 3 419.547 2.313 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1ccc(OC)cn1 ZINC000742133484 1076750407 /nfs/dbraw/zinc/75/04/07/1076750407.db2.gz BIQPCGSGMRXCLA-OAHLLOKOSA-N -1 3 402.476 2.326 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)ccc1F ZINC000742197816 1076784624 /nfs/dbraw/zinc/78/46/24/1076784624.db2.gz AKODBBJQRAGIPF-SOKVYYICSA-N -1 3 424.519 2.140 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@]2(O)CCCc3ccccc32)ccc1F ZINC000742202601 1076789579 /nfs/dbraw/zinc/78/95/79/1076789579.db2.gz YIEZAAODPHXIQO-OAQYLSRUSA-N -1 3 418.490 2.244 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2CCN(CC(F)(F)F)CC2)ccc1F ZINC000742448646 1076839025 /nfs/dbraw/zinc/83/90/25/1076839025.db2.gz IOYGSTPMNLBYNO-UHFFFAOYSA-N -1 3 423.432 2.047 20 30 HEEDHM C[C@H](CC(=O)Nc1ccnn1Cc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742495606 1076845077 /nfs/dbraw/zinc/84/50/77/1076845077.db2.gz GFWCCWGGNDKLLX-OAHLLOKOSA-N -1 3 423.498 2.387 20 30 HEEDHM Cc1cccc(OCCN(C)C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742498076 1076845189 /nfs/dbraw/zinc/84/51/89/1076845189.db2.gz FSXCHNORHFNLJS-MRXNPFEDSA-N -1 3 415.515 2.350 20 30 HEEDHM C[C@H](CC(=O)N(C)CCOc1ccc(F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742499859 1076845533 /nfs/dbraw/zinc/84/55/33/1076845533.db2.gz XSJFMDYBSITJNV-CQSZACIVSA-N -1 3 419.478 2.180 20 30 HEEDHM C[C@H](CC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742508094 1076846129 /nfs/dbraw/zinc/84/61/29/1076846129.db2.gz LFRZJSFOSIOUOO-OLZOCXBDSA-N -1 3 415.471 2.110 20 30 HEEDHM C[C@H](CC(=O)NCc1nc2ccccc2s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742510735 1076846444 /nfs/dbraw/zinc/84/64/44/1076846444.db2.gz QDEJYMNZKUSKKM-GFCCVEGCSA-N -1 3 414.512 2.430 20 30 HEEDHM COCCN(Cc1ccccc1)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742518468 1076847270 /nfs/dbraw/zinc/84/72/70/1076847270.db2.gz DBUIPYCQDKQCJL-INIZCTEOSA-N -1 3 415.515 2.179 20 30 HEEDHM COc1ccc([C@H](C)NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742524139 1076847726 /nfs/dbraw/zinc/84/77/26/1076847726.db2.gz JHAHUZXXZXUSMJ-KGLIPLIRSA-N -1 3 401.488 2.390 20 30 HEEDHM C[C@H](CC(=O)N(C)Cc1nc2ccccc2[nH]1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742516128 1076849097 /nfs/dbraw/zinc/84/90/97/1076849097.db2.gz VSZPQQFRDUHNHJ-CYBMUJFWSA-N -1 3 411.487 2.039 20 30 HEEDHM C[C@H](CC(=O)N[C@H](C)COc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742562596 1076849371 /nfs/dbraw/zinc/84/93/71/1076849371.db2.gz ZUWVIYAMHNGLJY-HUUCEWRRSA-N -1 3 401.488 2.087 20 30 HEEDHM CC(=O)N(C)c1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742591336 1076853703 /nfs/dbraw/zinc/85/37/03/1076853703.db2.gz DBRVKXPRJDINRT-CYBMUJFWSA-N -1 3 414.487 2.125 20 30 HEEDHM C[C@@H](CC(=O)NCCc1ccc2ccccc2n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742591506 1076853896 /nfs/dbraw/zinc/85/38/96/1076853896.db2.gz IQHWPAPHNPMDCS-HNNXBMFYSA-N -1 3 422.510 2.411 20 30 HEEDHM Cc1ccc(OCCCNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742610816 1076856087 /nfs/dbraw/zinc/85/60/87/1076856087.db2.gz PUKVEJMZHHLEBL-INIZCTEOSA-N -1 3 415.515 2.397 20 30 HEEDHM COc1cc(F)c(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC000742647616 1076857986 /nfs/dbraw/zinc/85/79/86/1076857986.db2.gz GTAQJHRSTZVGDN-LLVKDONJSA-N -1 3 421.450 2.299 20 30 HEEDHM CCCOc1ccc(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742652510 1076858565 /nfs/dbraw/zinc/85/85/65/1076858565.db2.gz GTUVZXSQFTYCJB-CQSZACIVSA-N -1 3 416.503 2.004 20 30 HEEDHM C[C@@H](CC(=O)N(C)CCc1ccccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742655988 1076865225 /nfs/dbraw/zinc/86/52/25/1076865225.db2.gz JHRAENNGAONJSM-AWEZNQCLSA-N -1 3 403.479 2.344 20 30 HEEDHM C[C@@H](CC(=O)NCCOC1CCCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742687162 1076866663 /nfs/dbraw/zinc/86/66/63/1076866663.db2.gz GJRGPSHOYYRSFH-HNNXBMFYSA-N -1 3 407.536 2.359 20 30 HEEDHM C[C@H](CC(=O)NCC1(c2cccc(F)c2)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742695430 1076867585 /nfs/dbraw/zinc/86/75/85/1076867585.db2.gz PZDMSFLTZLWUTQ-CQSZACIVSA-N -1 3 415.490 2.491 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)Oc2ccccc2OC)ccc1F ZINC000742785013 1076878743 /nfs/dbraw/zinc/87/87/43/1076878743.db2.gz VGQWBUHAQNCQFN-CQSZACIVSA-N -1 3 422.478 2.496 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000742773736 1076881967 /nfs/dbraw/zinc/88/19/67/1076881967.db2.gz UHEBGRUDZLSIJQ-LZWOXQAQSA-N -1 3 409.577 2.492 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC2(C1)CCOCC2 ZINC000743784119 1077113129 /nfs/dbraw/zinc/11/31/29/1077113129.db2.gz RKHWBNHHHASBLD-KRWDZBQOSA-N -1 3 419.547 2.313 20 30 HEEDHM CCOc1cc(C#N)ccc1OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744025902 1077298520 /nfs/dbraw/zinc/29/85/20/1077298520.db2.gz IKHDRQUKVQUNSG-CYBMUJFWSA-N -1 3 413.455 2.380 20 30 HEEDHM C[C@@H](CC(=O)OCc1nc2ccccc2n1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744057021 1077308597 /nfs/dbraw/zinc/30/85/97/1077308597.db2.gz VQPKQRPMYHOUAW-ZDUSSCGKSA-N -1 3 412.471 2.134 20 30 HEEDHM C#CCOc1ccc(C([O-])=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000744035046 1077310501 /nfs/dbraw/zinc/31/05/01/1077310501.db2.gz NDFWEDCZSQYZHB-OAHLLOKOSA-N -1 3 421.365 2.339 20 30 HEEDHM C[C@H](CC(=O)OCc1cnc2ccccc2n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744091741 1077320803 /nfs/dbraw/zinc/32/08/03/1077320803.db2.gz RSCPZYBOIIAEST-CYBMUJFWSA-N -1 3 410.455 2.190 20 30 HEEDHM C[C@H](CC(=O)Oc1ccc2c(c1)OCCCO2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744098378 1077322660 /nfs/dbraw/zinc/32/26/60/1077322660.db2.gz BWYPXVPAEQVSFA-CYBMUJFWSA-N -1 3 416.455 2.271 20 30 HEEDHM COc1ccc(C(C)=O)c(OC(=O)C[C@@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744103409 1077323164 /nfs/dbraw/zinc/32/31/64/1077323164.db2.gz QHUAGWGJQHTNRH-GFCCVEGCSA-N -1 3 416.455 2.321 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCCOc1cccnc1 ZINC000744143192 1077329988 /nfs/dbraw/zinc/32/99/88/1077329988.db2.gz NQGJHLDEDYWZII-QGZVFWFLSA-N -1 3 417.487 2.301 20 30 HEEDHM CCOc1c(Br)cc(C=NN2CC(=O)[N-]C2=O)cc1Br ZINC000744809864 1077584203 /nfs/dbraw/zinc/58/42/03/1077584203.db2.gz ACXQWODIQUXKHY-UHFFFAOYSA-N -1 3 405.046 2.496 20 30 HEEDHM COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NN2CC(=O)[N-]C2=O)c1 ZINC000744810740 1077584512 /nfs/dbraw/zinc/58/45/12/1077584512.db2.gz XKZQZANGTDNGOQ-UHFFFAOYSA-N -1 3 405.414 2.442 20 30 HEEDHM CC(C)Cn1ncc(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C(C)C ZINC000767124399 1079691170 /nfs/dbraw/zinc/69/11/70/1079691170.db2.gz ZRJPUUPFGSJMNX-UHFFFAOYSA-N -1 3 403.508 2.340 20 30 HEEDHM C=CCN1C(=S)N=NC1c1sc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])nc1C ZINC000767171744 1079706619 /nfs/dbraw/zinc/70/66/19/1079706619.db2.gz TWJKHYKDESVWHC-UHFFFAOYSA-N -1 3 406.453 2.079 20 30 HEEDHM N#Cc1ccc(N2CC[C@H](OC(=O)[C@@H]3CCCN3C(=O)c3ccccc3[O-])C2=O)cc1 ZINC000767282053 1079806538 /nfs/dbraw/zinc/80/65/38/1079806538.db2.gz DCIZLONUTCKSJN-ICSRJNTNSA-N -1 3 419.437 2.217 20 30 HEEDHM C#CCOc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000746491520 1080092651 /nfs/dbraw/zinc/09/26/51/1080092651.db2.gz IJPFLEFQKYTMBA-UHFFFAOYSA-N -1 3 417.443 2.459 20 30 HEEDHM CC(C)(C#N)c1ccccc1COC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000768027802 1080292433 /nfs/dbraw/zinc/29/24/33/1080292433.db2.gz GYRQZOWQNKGNHE-UHFFFAOYSA-N -1 3 408.501 2.177 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CCCn1ccnc1 ZINC000768324469 1080485975 /nfs/dbraw/zinc/48/59/75/1080485975.db2.gz RLUIKYWOBPVHTD-QGZVFWFLSA-N -1 3 417.535 2.029 20 30 HEEDHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccc(OC)cc1OC ZINC000768549906 1080652472 /nfs/dbraw/zinc/65/24/72/1080652472.db2.gz FQCUKGIGUBZIBX-MRXNPFEDSA-N -1 3 422.434 2.297 20 30 HEEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1 ZINC000746627309 1080950602 /nfs/dbraw/zinc/95/06/02/1080950602.db2.gz XXILDFJMZNXNFH-UHFFFAOYSA-N -1 3 415.353 2.271 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000769271995 1081024883 /nfs/dbraw/zinc/02/48/83/1081024883.db2.gz PSWHZPGBDJQOFG-WBVHZDCISA-N -1 3 417.531 2.256 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCc1ccccc1O ZINC000769421850 1081068353 /nfs/dbraw/zinc/06/83/53/1081068353.db2.gz DJQJIYHKULGCTA-QGZVFWFLSA-N -1 3 415.515 2.204 20 30 HEEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2cccc(F)c2C#N)cc1F ZINC000769665374 1078504004 /nfs/dbraw/zinc/50/40/04/1078504004.db2.gz BDYXYJBOURKSPS-UHFFFAOYSA-N -1 3 402.400 2.366 20 30 HEEDHM COc1c(C)cnc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000745494824 1078509205 /nfs/dbraw/zinc/50/92/05/1078509205.db2.gz BPNINVTTYQPLAQ-CYBMUJFWSA-N -1 3 417.487 2.268 20 30 HEEDHM C[C@@H](CC(=O)OCC(=O)c1ccc(F)c(F)c1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745494929 1078509236 /nfs/dbraw/zinc/50/92/36/1078509236.db2.gz CXZLTNMPQULVIF-NSHDSACASA-N -1 3 422.409 2.208 20 30 HEEDHM Cc1ccccc1OCCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745494814 1078509908 /nfs/dbraw/zinc/50/99/08/1078509908.db2.gz BLURMTXYGVQJPO-HNNXBMFYSA-N -1 3 402.472 2.434 20 30 HEEDHM C[C@H](CC(=O)OCCCOCC(F)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496325 1078510696 /nfs/dbraw/zinc/51/06/96/1078510696.db2.gz LMWAZTCVHACJDT-LLVKDONJSA-N -1 3 408.398 2.016 20 30 HEEDHM Cc1ccc(C(=O)COC(=O)C[C@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)s1 ZINC000745498631 1078514949 /nfs/dbraw/zinc/51/49/49/1078514949.db2.gz YUGABFMDFPMFJH-NSHDSACASA-N -1 3 406.485 2.300 20 30 HEEDHM COc1cc(C=NNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)c([N+](=O)[O-])cc1[O-] ZINC000769809683 1078572749 /nfs/dbraw/zinc/57/27/49/1078572749.db2.gz ZORYWIITPIONPF-UHFFFAOYSA-N -1 3 401.383 2.355 20 30 HEEDHM CCS(=O)(=O)CCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000769834423 1078596286 /nfs/dbraw/zinc/59/62/86/1078596286.db2.gz PLKBBPSDAPOZTO-UHFFFAOYSA-N -1 3 408.501 2.481 20 30 HEEDHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c([O-])c1O ZINC000770475378 1078874880 /nfs/dbraw/zinc/87/48/80/1078874880.db2.gz DFRLWHVTPQCIBC-PGMHBOJBSA-N -1 3 403.460 2.471 20 30 HEEDHM CS(=O)(=O)c1cc(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)c(Cl)s1 ZINC000770689120 1078957662 /nfs/dbraw/zinc/95/76/62/1078957662.db2.gz NQCKAJAZLTWNOS-UHFFFAOYSA-N -1 3 408.885 2.294 20 30 HEEDHM CCOc1cc(-c2noc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)n2)ccc1O ZINC000771108547 1079156610 /nfs/dbraw/zinc/15/66/10/1079156610.db2.gz KYYDPYNRPFODPB-UHFFFAOYSA-N -1 3 400.416 2.080 20 30 HEEDHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2C#N)cc1F ZINC000771184501 1079213129 /nfs/dbraw/zinc/21/31/29/1079213129.db2.gz QBCOQXQLKBVQPI-UHFFFAOYSA-N -1 3 404.828 2.490 20 30 HEEDHM C#CC[C@H](CCOC)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001169292802 1079222376 /nfs/dbraw/zinc/22/23/76/1079222376.db2.gz QDKUNXBBCMOGBS-GFCCVEGCSA-N -1 3 407.319 2.206 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1ncc(CC)o1 ZINC000771584026 1079380915 /nfs/dbraw/zinc/38/09/15/1079380915.db2.gz VOFIWJPJCDWGFJ-OAHLLOKOSA-N -1 3 404.492 2.151 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](O)c2cccc(F)c2)ccc1F ZINC000771738434 1079472819 /nfs/dbraw/zinc/47/28/19/1079472819.db2.gz PHXATUSBQCLCCR-SGTLLEGYSA-N -1 3 410.442 2.281 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2noc(C)n2)ccc1F ZINC000737624953 1075914152 /nfs/dbraw/zinc/91/41/52/1075914152.db2.gz MZPUCOZUPWIZJE-OAHLLOKOSA-N -1 3 408.455 2.349 20 30 HEEDHM Cc1ccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000742464434 1076841979 /nfs/dbraw/zinc/84/19/79/1076841979.db2.gz GGBNTPQXHBZVHK-LBPRGKRZSA-N -1 3 402.432 2.359 20 30 HEEDHM COc1ccc(C)cc1CCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742489795 1076844210 /nfs/dbraw/zinc/84/42/10/1076844210.db2.gz ONNZAGMRYQBZBV-HNNXBMFYSA-N -1 3 415.515 2.180 20 30 HEEDHM C[C@H](CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742500511 1076845527 /nfs/dbraw/zinc/84/55/27/1076845527.db2.gz DFMQSWPVAUKOQG-OLZOCXBDSA-N -1 3 411.487 2.257 20 30 HEEDHM CC(=O)Nc1cc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1F ZINC000742510546 1076846438 /nfs/dbraw/zinc/84/64/38/1076846438.db2.gz FTXKNQYNJAQPBL-NSHDSACASA-N -1 3 418.450 2.240 20 30 HEEDHM CC(=O)Nc1cccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000742517667 1076846892 /nfs/dbraw/zinc/84/68/92/1076846892.db2.gz CDFDZPBNBHNIHA-GFCCVEGCSA-N -1 3 414.487 2.409 20 30 HEEDHM COc1ccc2c(c1)CCCN2C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742512322 1076848737 /nfs/dbraw/zinc/84/87/37/1076848737.db2.gz ZPBKPLOZKHPNKB-AWEZNQCLSA-N -1 3 413.499 2.492 20 30 HEEDHM C[C@H](CC(=O)NCc1cc(-c2ccccc2)no1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742539244 1076849643 /nfs/dbraw/zinc/84/96/43/1076849643.db2.gz VHNGTAUOGPSBBW-CQSZACIVSA-N -1 3 424.482 2.475 20 30 HEEDHM CC(=O)Nc1ccc(C)c(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742539026 1076849789 /nfs/dbraw/zinc/84/97/89/1076849789.db2.gz TXEYERRAZLAPNV-CYBMUJFWSA-N -1 3 414.487 2.409 20 30 HEEDHM Cc1cc([C@@H]2CCCN2C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)on1 ZINC000742542943 1076850265 /nfs/dbraw/zinc/85/02/65/1076850265.db2.gz BEEGTFDUETYRKN-DOMZBBRYSA-N -1 3 402.476 2.164 20 30 HEEDHM COC(=O)Nc1ccc(NC(=O)C[C@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742554297 1076851354 /nfs/dbraw/zinc/85/13/54/1076851354.db2.gz OAVPPHFLXBSPBF-LBPRGKRZSA-N -1 3 416.459 2.321 20 30 HEEDHM C[C@H](CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742556377 1076851511 /nfs/dbraw/zinc/85/15/11/1076851511.db2.gz UQHUWTIUHWFLQX-OLZOCXBDSA-N -1 3 416.459 2.289 20 30 HEEDHM CCOc1ccccc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742572681 1076852626 /nfs/dbraw/zinc/85/26/26/1076852626.db2.gz FFBYJVRCEAJQTG-CQSZACIVSA-N -1 3 401.488 2.219 20 30 HEEDHM C[C@H](CC(=O)Nc1cnc(C(C)(C)C)nc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742585637 1076853621 /nfs/dbraw/zinc/85/36/21/1076853621.db2.gz KHXJBQKQOXFRRC-GFCCVEGCSA-N -1 3 401.492 2.230 20 30 HEEDHM Cc1csc(CCCCNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000742621756 1076854393 /nfs/dbraw/zinc/85/43/93/1076854393.db2.gz VAMVEGKJQKIJNY-CYBMUJFWSA-N -1 3 420.560 2.408 20 30 HEEDHM Cc1c(NC(=O)C[C@@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)n[nH]c1C(F)(F)F ZINC000742594788 1076854522 /nfs/dbraw/zinc/85/45/22/1076854522.db2.gz DPJUKTPUFYWCDJ-MRVPVSSYSA-N -1 3 415.397 2.193 20 30 HEEDHM Cc1nc(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)nc2ccccc12 ZINC000742618416 1076857089 /nfs/dbraw/zinc/85/70/89/1076857089.db2.gz YSXZUGZIOZFMLW-CYBMUJFWSA-N -1 3 423.498 2.072 20 30 HEEDHM COc1cc(Cl)ccc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742649344 1076857990 /nfs/dbraw/zinc/85/79/90/1076857990.db2.gz FZUCMPYTHKVPKE-LBPRGKRZSA-N -1 3 421.906 2.482 20 30 HEEDHM CC(=O)Nc1ccc(C)cc1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742627074 1076858924 /nfs/dbraw/zinc/85/89/24/1076858924.db2.gz CTKAIJFBWGMTAB-ZDUSSCGKSA-N -1 3 414.487 2.409 20 30 HEEDHM C[C@@H](CC(=O)Nc1ncccc1OC(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742627844 1076859135 /nfs/dbraw/zinc/85/91/35/1076859135.db2.gz KDQYFMOUJFBOBM-JTQLQIEISA-N -1 3 410.402 2.139 20 30 HEEDHM C[C@H](CC(=O)NC1(c2ccc(F)cc2)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742639162 1076860317 /nfs/dbraw/zinc/86/03/17/1076860317.db2.gz UZQMDTISUIASAZ-CYBMUJFWSA-N -1 3 401.463 2.448 20 30 HEEDHM CCN(C)c1ccccc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742643973 1076860910 /nfs/dbraw/zinc/86/09/10/1076860910.db2.gz AXSCBINXLVFUHT-OAHLLOKOSA-N -1 3 414.531 2.276 20 30 HEEDHM C[C@@H](CC(=O)NCCc1cccc(F)c1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742665670 1076861942 /nfs/dbraw/zinc/86/19/42/1076861942.db2.gz GFGNYJBECNLXHB-LBPRGKRZSA-N -1 3 407.442 2.141 20 30 HEEDHM C[C@@H](CC(=O)N(C)CCN(C)c1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742655032 1076865014 /nfs/dbraw/zinc/86/50/14/1076865014.db2.gz ZTCOHWDDEYCXKA-INIZCTEOSA-N -1 3 414.531 2.099 20 30 HEEDHM C[C@H](CC(=O)NC[C@@H]1CCc2ccccc2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742683250 1076866397 /nfs/dbraw/zinc/86/63/97/1076866397.db2.gz HVHDONXMFHTYOA-HZPDHXFCSA-N -1 3 411.527 2.425 20 30 HEEDHM C[C@H](CC(=O)NC[C@@H](C)Oc1ccc(F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742731321 1076871120 /nfs/dbraw/zinc/87/11/20/1076871120.db2.gz VQXWAEZSASLRFY-ZIAGYGMSSA-N -1 3 419.478 2.227 20 30 HEEDHM Cc1ccc(O[C@H](C)CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742718081 1076874059 /nfs/dbraw/zinc/87/40/59/1076874059.db2.gz LUHSAPYPQJCAMQ-JKSUJKDBSA-N -1 3 415.515 2.396 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)Oc2ccc(OC)cc2)ccc1F ZINC000742779287 1076882226 /nfs/dbraw/zinc/88/22/26/1076882226.db2.gz PPBFZEOOTRBUEV-CQSZACIVSA-N -1 3 422.478 2.496 20 30 HEEDHM CC[C@H](NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)c1c(C)nn(C)c1C ZINC000742828651 1076884169 /nfs/dbraw/zinc/88/41/69/1076884169.db2.gz PQRUBBPUZQWIKX-LRDDRELGSA-N -1 3 417.535 2.122 20 30 HEEDHM CC(=O)Nc1ccc(OC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c(F)c1 ZINC000742838614 1076885851 /nfs/dbraw/zinc/88/58/51/1076885851.db2.gz YDMMFNTZJOLPAR-NSHDSACASA-N -1 3 419.434 2.207 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CC[C@@H](CSc2ccccc2)C1 ZINC000742851357 1076889050 /nfs/dbraw/zinc/88/90/50/1076889050.db2.gz ZWCNQDVQQMVZGD-OAHLLOKOSA-N -1 3 415.540 2.366 20 30 HEEDHM C[C@H]1CN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c2cc(Cl)ccc2O1 ZINC000742866635 1076890062 /nfs/dbraw/zinc/89/00/62/1076890062.db2.gz XXOMUEGAMSOYHT-NSHDSACASA-N -1 3 405.863 2.193 20 30 HEEDHM Cc1nc2cc(NC(=O)C[C@H](C)/N=C3/[N-]S(=O)(=O)c4ccccc43)ccc2n1C ZINC000742945589 1076899249 /nfs/dbraw/zinc/89/92/49/1076899249.db2.gz IZHFAXXSRKNNEP-LBPRGKRZSA-N -1 3 411.487 2.338 20 30 HEEDHM C[C@H](CC(=O)N1CCOC[C@@H]1c1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742956690 1076903887 /nfs/dbraw/zinc/90/38/87/1076903887.db2.gz VKFUDAIZHBOKRA-CRAIPNDOSA-N -1 3 413.499 2.104 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000743575224 1077071685 /nfs/dbraw/zinc/07/16/85/1077071685.db2.gz OPLOGOTWITUWHO-ZBFHGGJFSA-N -1 3 409.552 2.197 20 30 HEEDHM C[C@H](CC(=O)OCc1ccc(-n2cccn2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744049026 1077307628 /nfs/dbraw/zinc/30/76/28/1077307628.db2.gz GMXYJSJWIUEBAN-OAHLLOKOSA-N -1 3 424.482 2.433 20 30 HEEDHM C[C@H](CC(=O)OCCn1ncc2ccccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744166761 1077329382 /nfs/dbraw/zinc/32/93/82/1077329382.db2.gz IVMDHDVVAFOAPG-CQSZACIVSA-N -1 3 412.471 2.097 20 30 HEEDHM C#CCCN1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000744371046 1077370406 /nfs/dbraw/zinc/37/04/06/1077370406.db2.gz MQKLSKNRNAYLOU-UHFFFAOYSA-N -1 3 415.490 2.408 20 30 HEEDHM Cc1ccccc1-c1cnc(COC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)o1 ZINC000744494046 1077414868 /nfs/dbraw/zinc/41/48/68/1077414868.db2.gz BXWLRGCOSRGGLP-UHFFFAOYSA-N -1 3 411.439 2.432 20 30 HEEDHM C[C@@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)Nc1cccc(C#N)c1 ZINC000744725950 1077557507 /nfs/dbraw/zinc/55/75/07/1077557507.db2.gz QOQFYQNJHFGCDT-KDOFPFPSSA-N -1 3 407.426 2.439 20 30 HEEDHM Cc1ccc(-c2nc(CNC(=O)C/N=C3/[N-]S(=O)(=O)c4ccccc43)co2)cc1 ZINC000744739673 1077574530 /nfs/dbraw/zinc/57/45/30/1077574530.db2.gz GLSYLDDMTXVQQJ-UHFFFAOYSA-N -1 3 410.455 2.005 20 30 HEEDHM C[C@@H](CC(=O)N[C@H]1CCOc2c(F)cccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000785638492 1080085731 /nfs/dbraw/zinc/08/57/31/1080085731.db2.gz UFXABYZOPRSDIG-LRDDRELGSA-N -1 3 417.462 2.283 20 30 HEEDHM C[C@H](CC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742590485 1080259052 /nfs/dbraw/zinc/25/90/52/1080259052.db2.gz ZBTILTXLZRPRJZ-OAUYIBNBSA-N -1 3 401.463 2.315 20 30 HEEDHM CCCC[C@H](N=C1[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000768373593 1080521607 /nfs/dbraw/zinc/52/16/07/1080521607.db2.gz BUTDSMGPSYRHLP-DYVFJYSZSA-N -1 3 417.535 2.063 20 30 HEEDHM C[C@@H](CC(=O)N1CCc2ccc(F)c(F)c2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768374308 1080531674 /nfs/dbraw/zinc/53/16/74/1080531674.db2.gz BLMCQPKFRDDMKY-LBPRGKRZSA-N -1 3 419.453 2.367 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)ccc1F ZINC000768591362 1080671159 /nfs/dbraw/zinc/67/11/59/1080671159.db2.gz FQOHETSPFFJFQG-KBXCAEBGSA-N -1 3 414.524 2.075 20 30 HEEDHM C[C@@H]1CCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)[C@H]1c1cccc(F)c1 ZINC000746622887 1080967158 /nfs/dbraw/zinc/96/71/58/1080967158.db2.gz HIXQNROTYCTXEZ-BFUOFWGJSA-N -1 3 401.463 2.474 20 30 HEEDHM C[C@@H](CC(=O)NCc1ncc(C(C)(C)C)o1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000746625127 1080973914 /nfs/dbraw/zinc/97/39/14/1080973914.db2.gz GWFJMMHKGVNSRK-LBPRGKRZSA-N -1 3 404.492 2.106 20 30 HEEDHM Cc1c(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000745494705 1078509080 /nfs/dbraw/zinc/50/90/80/1078509080.db2.gz BGZIPRLFJQTWBJ-LBPRGKRZSA-N -1 3 417.443 2.464 20 30 HEEDHM COc1ccc(COC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1F ZINC000745495340 1078509980 /nfs/dbraw/zinc/50/99/80/1078509980.db2.gz HHGSEVPZGXJHLN-LBPRGKRZSA-N -1 3 406.435 2.395 20 30 HEEDHM Cc1cccc(OCCOC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000745495805 1078510391 /nfs/dbraw/zinc/51/03/91/1078510391.db2.gz IUDFZYMQRAYZKS-HNNXBMFYSA-N -1 3 402.472 2.434 20 30 HEEDHM C[C@H](CC(=O)OCC(=O)c1ccccc1F)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745498261 1078512795 /nfs/dbraw/zinc/51/27/95/1078512795.db2.gz ZWQUVPFWRIGLES-GFCCVEGCSA-N -1 3 404.419 2.069 20 30 HEEDHM Cc1ccc(C(=O)COC(=O)C[C@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000745497886 1078513312 /nfs/dbraw/zinc/51/33/12/1078513312.db2.gz XJHXQQMIOUICTQ-AWEZNQCLSA-N -1 3 400.456 2.238 20 30 HEEDHM C=CCSc1ccccc1NC(=O)COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000770107442 1078717864 /nfs/dbraw/zinc/71/78/64/1078717864.db2.gz JZFZZVCMBDMDJS-INIZCTEOSA-N -1 3 414.549 2.410 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nccs1 ZINC000746361185 1078874974 /nfs/dbraw/zinc/87/49/74/1078874974.db2.gz LYQSVUXFDPYAQO-AWEZNQCLSA-N -1 3 406.533 2.399 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1ccc(CO)cc1 ZINC000770529713 1078885763 /nfs/dbraw/zinc/88/57/63/1078885763.db2.gz XHBMINLIHUZCCW-KRWDZBQOSA-N -1 3 401.488 2.415 20 30 HEEDHM CC(C)C[C@H](N=C1[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000766691824 1079281851 /nfs/dbraw/zinc/28/18/51/1079281851.db2.gz MACSOPLYCQOSJQ-HOTGVXAUSA-N -1 3 415.519 2.057 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000741235988 1076428868 /nfs/dbraw/zinc/42/88/68/1076428868.db2.gz UUPSEKWNECIHIZ-ONIAQPFYSA-N -1 3 419.547 2.214 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1ccc(C)o1 ZINC000741295716 1076449353 /nfs/dbraw/zinc/44/93/53/1076449353.db2.gz KDHSGYUJYPFZAQ-HOTGVXAUSA-N -1 3 419.503 2.035 20 30 HEEDHM CC(C)CCOCCNC(=O)[C@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742441396 1076838210 /nfs/dbraw/zinc/83/82/10/1076838210.db2.gz VJFBKMAQVQENAE-KRWDZBQOSA-N -1 3 409.552 2.319 20 30 HEEDHM CC(C)CCOCCNC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742441397 1076838268 /nfs/dbraw/zinc/83/82/68/1076838268.db2.gz VJFBKMAQVQENAE-QGZVFWFLSA-N -1 3 409.552 2.319 20 30 HEEDHM COC(=O)c1ccc(C)c(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742473444 1076842637 /nfs/dbraw/zinc/84/26/37/1076842637.db2.gz GFCNEMJSNIEKMJ-ZDUSSCGKSA-N -1 3 415.471 2.237 20 30 HEEDHM COc1ccc(C)cc1CCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742489796 1076844234 /nfs/dbraw/zinc/84/42/34/1076844234.db2.gz ONNZAGMRYQBZBV-OAHLLOKOSA-N -1 3 415.515 2.180 20 30 HEEDHM Cc1ccccc1OCCN(C)C(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742497734 1076845197 /nfs/dbraw/zinc/84/51/97/1076845197.db2.gz CPNGOFQDGUZMTD-MRXNPFEDSA-N -1 3 415.515 2.350 20 30 HEEDHM Cc1cccc(OCCCNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742499807 1076845358 /nfs/dbraw/zinc/84/53/58/1076845358.db2.gz DGRJCARPDZNLRT-INIZCTEOSA-N -1 3 415.515 2.397 20 30 HEEDHM C[C@@H](CC(=O)NCc1ccccc1OC(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742506658 1076846146 /nfs/dbraw/zinc/84/61/46/1076846146.db2.gz QFXMRLMTYYEIGR-LBPRGKRZSA-N -1 3 423.441 2.422 20 30 HEEDHM C[C@@H](CC(=O)NCc1cc(-c2ccccc2)no1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742539242 1076849695 /nfs/dbraw/zinc/84/96/95/1076849695.db2.gz VHNGTAUOGPSBBW-AWEZNQCLSA-N -1 3 424.482 2.475 20 30 HEEDHM C[C@@H](CC(=O)Nc1cccc(-n2cccn2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742540334 1076849793 /nfs/dbraw/zinc/84/97/93/1076849793.db2.gz KPHRQIZAKVHSFY-AWEZNQCLSA-N -1 3 409.471 2.328 20 30 HEEDHM COC(=O)Nc1cccc(NC(=O)C[C@@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742557704 1076851601 /nfs/dbraw/zinc/85/16/01/1076851601.db2.gz WMMSWGYKPILICO-GFCCVEGCSA-N -1 3 416.459 2.321 20 30 HEEDHM C[C@H](CC(=O)Nc1ccc2oc(=O)ccc2c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742565656 1076854036 /nfs/dbraw/zinc/85/40/36/1076854036.db2.gz DCGIVOUQZAJNRZ-GFCCVEGCSA-N -1 3 411.439 2.249 20 30 HEEDHM C=CCOc1ccccc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742663689 1076861825 /nfs/dbraw/zinc/86/18/25/1076861825.db2.gz HCHFPCAMGPBNCB-HNNXBMFYSA-N -1 3 413.499 2.385 20 30 HEEDHM C[C@H](CC(=O)NCCCNc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742653965 1076864806 /nfs/dbraw/zinc/86/48/06/1076864806.db2.gz VAISZXWRCSGQRM-OAHLLOKOSA-N -1 3 400.504 2.122 20 30 HEEDHM Cc1csc(C(C)(C)NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000742682953 1076866110 /nfs/dbraw/zinc/86/61/10/1076866110.db2.gz CDYRJOKFSSAGFS-LLVKDONJSA-N -1 3 406.533 2.320 20 30 HEEDHM CC[C@](C)(NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nccs1 ZINC000742696443 1076867611 /nfs/dbraw/zinc/86/76/11/1076867611.db2.gz YYZKLDBZZQFJJF-SGTLLEGYSA-N -1 3 406.533 2.402 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccc2c(c1)NC(=O)CC2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742704969 1076869158 /nfs/dbraw/zinc/86/91/58/1076869158.db2.gz ULLQRLCJCGJVBH-LBPRGKRZSA-N -1 3 412.471 2.027 20 30 HEEDHM C[C@@H](CC(=O)NCCc1nc2ccccc2o1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743798924 1077122188 /nfs/dbraw/zinc/12/21/88/1077122188.db2.gz DVXCTZSVXJTDPT-ZDUSSCGKSA-N -1 3 412.471 2.004 20 30 HEEDHM C[C@H](CC(=O)OCc1nc2ccccc2n1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744057019 1077308615 /nfs/dbraw/zinc/30/86/15/1077308615.db2.gz VQPKQRPMYHOUAW-CYBMUJFWSA-N -1 3 412.471 2.134 20 30 HEEDHM C[C@H](CC(=O)OCc1cccc(N(C)C)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744182459 1077336339 /nfs/dbraw/zinc/33/63/39/1077336339.db2.gz XGAKNZWYVYRISZ-CQSZACIVSA-N -1 3 401.488 2.313 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)OC)ccc1F ZINC000772380738 1079855137 /nfs/dbraw/zinc/85/51/37/1079855137.db2.gz ZGKGWQBVAOAQPB-KUHUBIRLSA-N -1 3 412.483 2.142 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCc1ccc(OC)cn1 ZINC000767455328 1079882691 /nfs/dbraw/zinc/88/26/91/1079882691.db2.gz SZLGRCJNLHOPGC-QGZVFWFLSA-N -1 3 417.487 2.431 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCc1ccc(OC)cn1 ZINC000767455326 1079882762 /nfs/dbraw/zinc/88/27/62/1079882762.db2.gz SZLGRCJNLHOPGC-KRWDZBQOSA-N -1 3 417.487 2.431 20 30 HEEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCC(=O)NCCC#N ZINC000785521762 1080034330 /nfs/dbraw/zinc/03/43/30/1080034330.db2.gz FOHOEWMOXFTCDK-UHFFFAOYSA-N -1 3 419.434 2.122 20 30 HEEDHM CC[C@@]1(C)Oc2ccc(NC(=O)C/N=C3/[N-]S(=O)(=O)c4ccccc43)cc2O1 ZINC000785638829 1080152487 /nfs/dbraw/zinc/15/24/87/1080152487.db2.gz XVQIBBMSIHLFDJ-IBGZPJMESA-N -1 3 401.444 2.261 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CC1CCOCC1 ZINC000767913339 1080225583 /nfs/dbraw/zinc/22/55/83/1080225583.db2.gz GQXMBAWRCXZEMO-KRWDZBQOSA-N -1 3 407.536 2.025 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCc1cc(C)n(C)n1 ZINC000767986833 1080257979 /nfs/dbraw/zinc/25/79/79/1080257979.db2.gz CQPLTLWKXVYPCD-INIZCTEOSA-N -1 3 404.492 2.069 20 30 HEEDHM C[C@H](CC(=O)O[C@@H](C)c1nc(C2CC2)no1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495178 1078508390 /nfs/dbraw/zinc/50/83/90/1078508390.db2.gz DEMSOWZRRJLEHR-MNOVXSKESA-N -1 3 404.448 2.069 20 30 HEEDHM C[C@@H](CC(=O)OCC(=O)c1cc(F)ccc1F)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745495189 1078509066 /nfs/dbraw/zinc/50/90/66/1078509066.db2.gz DKTRHZZXZYFMAP-NSHDSACASA-N -1 3 422.409 2.208 20 30 HEEDHM C[C@@H](CC(=O)OCCOc1cccc(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495218 1078509396 /nfs/dbraw/zinc/50/93/96/1078509396.db2.gz FKXLUZNTGODSJX-ZDUSSCGKSA-N -1 3 406.435 2.265 20 30 HEEDHM COC(=O)c1ccc([C@H](C)OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)o1 ZINC000745497098 1078511817 /nfs/dbraw/zinc/51/18/17/1078511817.db2.gz RGUGHQMMAKIHRN-NEPJUHHUSA-N -1 3 420.443 2.188 20 30 HEEDHM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)cc1 ZINC000770110042 1078733395 /nfs/dbraw/zinc/73/33/95/1078733395.db2.gz BEJJYNLOVLLVBE-WBVHZDCISA-N -1 3 423.535 2.137 20 30 HEEDHM Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1 ZINC000770114066 1078736051 /nfs/dbraw/zinc/73/60/51/1078736051.db2.gz LGUILZCEQRZMTO-SFHVURJKSA-N -1 3 423.535 2.057 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1Cc2cccc(Br)c2C1 ZINC000770144257 1078746250 /nfs/dbraw/zinc/74/62/50/1078746250.db2.gz VDQXVLYHVKEXPZ-UHFFFAOYSA-N -1 3 420.288 2.030 20 30 HEEDHM CCOC(=O)c1nc(C2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)n[n-]1 ZINC000770703758 1078972387 /nfs/dbraw/zinc/97/23/87/1078972387.db2.gz DKERCOSAOLXPTI-UHFFFAOYSA-N -1 3 400.414 2.081 20 30 HEEDHM CCOC(=O)c1nnc(C2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)[n-]1 ZINC000770703758 1078972402 /nfs/dbraw/zinc/97/24/02/1078972402.db2.gz DKERCOSAOLXPTI-UHFFFAOYSA-N -1 3 400.414 2.081 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)CC(C)(C)C ZINC000770805193 1079026898 /nfs/dbraw/zinc/02/68/98/1079026898.db2.gz IZULJTURMMOYBT-HOCLYGCPSA-N -1 3 409.552 2.053 20 30 HEEDHM CCC1(CC)[C@H](NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)[C@H](C)[C@H]1OC ZINC000770885500 1079060291 /nfs/dbraw/zinc/06/02/91/1079060291.db2.gz NUEZHCKSYGOIEL-YXUGBTPSSA-N -1 3 421.563 2.460 20 30 HEEDHM O=S1(=O)N/C(=N/CCCc2nc(-c3ccc([O-])c(F)c3)no2)c2ccccc21 ZINC000771222573 1079236031 /nfs/dbraw/zinc/23/60/31/1079236031.db2.gz SDBCNEBMQPPXGQ-UHFFFAOYSA-N -1 3 402.407 2.253 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(C)n(C)c3=O)no2)ccc1F ZINC000771257293 1079249337 /nfs/dbraw/zinc/24/93/37/1079249337.db2.gz ZVJLVSPGPJPEBV-UHFFFAOYSA-N -1 3 404.423 2.014 20 30 HEEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cnn1C(C)C ZINC000771261251 1079252369 /nfs/dbraw/zinc/25/23/69/1079252369.db2.gz MHKLBXIOWIKMPC-GFCCVEGCSA-N -1 3 413.390 2.413 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CCCOC(C)C ZINC000740839276 1076264000 /nfs/dbraw/zinc/26/40/00/1076264000.db2.gz XTPGUOIGGWSACK-KRWDZBQOSA-N -1 3 409.552 2.413 20 30 HEEDHM CCc1nc(C)c([C@@H](C)N(C)C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000741578414 1076551241 /nfs/dbraw/zinc/55/12/41/1076551241.db2.gz OOWLJHQPGSTOOT-GFCCVEGCSA-N -1 3 406.533 2.272 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1ncc(C)s1 ZINC000742119662 1076748536 /nfs/dbraw/zinc/74/85/36/1076748536.db2.gz HZXPBGJBSNVVTN-AWEZNQCLSA-N -1 3 406.533 2.365 20 30 HEEDHM COc1ccc(NC(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)nc1 ZINC000742137199 1076752427 /nfs/dbraw/zinc/75/24/27/1076752427.db2.gz YXXXCFYTAVIZEE-HNNXBMFYSA-N -1 3 402.476 2.182 20 30 HEEDHM COc1cccc(CN(C)C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742476723 1076842797 /nfs/dbraw/zinc/84/27/97/1076842797.db2.gz AMUSZHBRCAFDDH-CQSZACIVSA-N -1 3 401.488 2.171 20 30 HEEDHM Cc1ccc(OCCNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742478831 1076843000 /nfs/dbraw/zinc/84/30/00/1076843000.db2.gz RMLUZFLJYDIMDU-OAHLLOKOSA-N -1 3 401.488 2.007 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742495029 1076844914 /nfs/dbraw/zinc/84/49/14/1076844914.db2.gz IJDLULSSVHZZOD-JTQLQIEISA-N -1 3 423.397 2.464 20 30 HEEDHM C[C@@H](CC(=O)N(C)CCOc1ccccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742498053 1076845184 /nfs/dbraw/zinc/84/51/84/1076845184.db2.gz DXULHKRTOAJRHE-AWEZNQCLSA-N -1 3 419.478 2.180 20 30 HEEDHM COc1ccc(CN(C)C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1F ZINC000742486122 1076846739 /nfs/dbraw/zinc/84/67/39/1076846739.db2.gz QCMWKJRBIICXQQ-CYBMUJFWSA-N -1 3 419.478 2.310 20 30 HEEDHM Cc1ccc(OCCNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c(C)c1 ZINC000742488610 1076846941 /nfs/dbraw/zinc/84/69/41/1076846941.db2.gz JBNRRLPTJRHUTD-INIZCTEOSA-N -1 3 415.515 2.316 20 30 HEEDHM C[C@H](CC(=O)Nc1ccc(N2CCCC2)cn1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742531832 1076848199 /nfs/dbraw/zinc/84/81/99/1076848199.db2.gz ORIIKUWSDLXINT-CQSZACIVSA-N -1 3 413.503 2.138 20 30 HEEDHM C[C@H](CC(=O)Nc1ccc(-n2cccn2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742532713 1076848338 /nfs/dbraw/zinc/84/83/38/1076848338.db2.gz ZTHHCCIWQQHUDO-CQSZACIVSA-N -1 3 409.471 2.328 20 30 HEEDHM COC(=O)c1cccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000742517416 1076849300 /nfs/dbraw/zinc/84/93/00/1076849300.db2.gz ALKOUCOECUKGPW-LBPRGKRZSA-N -1 3 415.471 2.237 20 30 HEEDHM C[C@H](CC(=O)NCCO[C@@H]1CCCC[C@@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742544725 1076850519 /nfs/dbraw/zinc/85/05/19/1076850519.db2.gz RWGGYIUWPRGGHP-ZMSDIMECSA-N -1 3 407.536 2.215 20 30 HEEDHM CC(C)Oc1ncccc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742545116 1076850531 /nfs/dbraw/zinc/85/05/31/1076850531.db2.gz ZWYKMTQIWZTFIU-CQSZACIVSA-N -1 3 416.503 2.002 20 30 HEEDHM CC(C)Oc1ncccc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742545114 1076850593 /nfs/dbraw/zinc/85/05/93/1076850593.db2.gz ZWYKMTQIWZTFIU-AWEZNQCLSA-N -1 3 416.503 2.002 20 30 HEEDHM Cc1nccn1-c1ncccc1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742552999 1076851348 /nfs/dbraw/zinc/85/13/48/1076851348.db2.gz BOOZWLGSBJGKFY-ZDUSSCGKSA-N -1 3 424.486 2.032 20 30 HEEDHM COc1ccc2c(c1)CN(C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c3ccccc31)CC2 ZINC000742583549 1076853424 /nfs/dbraw/zinc/85/34/24/1076853424.db2.gz SBFSSMDWDJOCOU-AWEZNQCLSA-N -1 3 413.499 2.097 20 30 HEEDHM C[C@@H](CC(=O)NCCCOc1ccc(F)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742595815 1076854687 /nfs/dbraw/zinc/85/46/87/1076854687.db2.gz KVIRHHWWRMMECS-AWEZNQCLSA-N -1 3 419.478 2.228 20 30 HEEDHM C[C@@H](CC(=O)Nc1n[nH]c2ccc(F)cc21)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000742632248 1076859239 /nfs/dbraw/zinc/85/92/39/1076859239.db2.gz VUHDHUXLRYPBEO-JTQLQIEISA-N -1 3 401.423 2.158 20 30 HEEDHM C[C@H](CC(=O)NCCc1ccc(F)cc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742664036 1076861609 /nfs/dbraw/zinc/86/16/09/1076861609.db2.gz CCQBKRDOOFXJNV-GFCCVEGCSA-N -1 3 407.442 2.141 20 30 HEEDHM C[C@H](CC(=O)N1CCOC2(CCCCC2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742711466 1076865867 /nfs/dbraw/zinc/86/58/67/1076865867.db2.gz GZZCDNPFCQTOTN-OAHLLOKOSA-N -1 3 405.520 2.065 20 30 HEEDHM C[C@H](CC(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742687107 1076866617 /nfs/dbraw/zinc/86/66/17/1076866617.db2.gz DQKUDMFAUQOVLX-ZRGWGRIASA-N -1 3 421.563 2.461 20 30 HEEDHM C[C@@H](CC(=O)NC1(c2cccc(F)c2)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742694095 1076867639 /nfs/dbraw/zinc/86/76/39/1076867639.db2.gz DCLLHDCUTWVAKJ-ZDUSSCGKSA-N -1 3 401.463 2.448 20 30 HEEDHM C[C@@H](CC(=O)Nc1nc2cc(F)ccc2n1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742915771 1076897080 /nfs/dbraw/zinc/89/70/80/1076897080.db2.gz HZTSOHFQUNJNLK-NSHDSACASA-N -1 3 415.450 2.168 20 30 HEEDHM C[C@@H](CC(=O)NCc1ccccc1-n1ccnc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743321143 1077028368 /nfs/dbraw/zinc/02/83/68/1077028368.db2.gz SMVXSGDAXPEJKF-HNNXBMFYSA-N -1 3 423.498 2.006 20 30 HEEDHM COc1ccc(OC)c(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744047991 1077307642 /nfs/dbraw/zinc/30/76/42/1077307642.db2.gz PFIUEOMAMQJZPI-CYBMUJFWSA-N -1 3 418.471 2.264 20 30 HEEDHM C[C@H](CC(=O)O[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744187601 1077336886 /nfs/dbraw/zinc/33/68/86/1077336886.db2.gz JGUJAJLMXYTQQD-AQNCSGRASA-N -1 3 406.504 2.251 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2nc(CC(F)(F)F)no2)ccc1F ZINC000744688539 1077543690 /nfs/dbraw/zinc/54/36/90/1077543690.db2.gz VHOMVWLIRHQULM-UHFFFAOYSA-N -1 3 423.344 2.135 20 30 HEEDHM CCC1(CNC(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CCOCC1 ZINC000744801883 1077598578 /nfs/dbraw/zinc/59/85/78/1077598578.db2.gz JGDSRZOVFNRHOX-KRWDZBQOSA-N -1 3 421.563 2.463 20 30 HEEDHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccc(C#N)cc2OC)cc1F ZINC000767078432 1079648785 /nfs/dbraw/zinc/64/87/85/1079648785.db2.gz ZADMEEUNYRGCJT-UHFFFAOYSA-N -1 3 414.436 2.235 20 30 HEEDHM N#Cc1ccc(N2CC[C@H](OC(=O)[C@H]3CCCN3C(=O)c3ccccc3[O-])C2=O)cc1 ZINC000767282055 1079806598 /nfs/dbraw/zinc/80/65/98/1079806598.db2.gz DCIZLONUTCKSJN-QUCCMNQESA-N -1 3 419.437 2.217 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCc2cn3cccc(C)c3n2)ccc1F ZINC000746540444 1079879282 /nfs/dbraw/zinc/87/92/82/1079879282.db2.gz UQBNUXMDBCTPND-UHFFFAOYSA-N -1 3 416.478 2.219 20 30 HEEDHM N#CC(C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2)=C([O-])C=C1CCSCC1 ZINC000772642437 1079982579 /nfs/dbraw/zinc/98/25/79/1079982579.db2.gz WJLPPTKBNPOSOB-LBPRGKRZSA-N -1 3 403.416 2.467 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1ccn(-c2ccccc2Cl)n1 ZINC000768349978 1080507401 /nfs/dbraw/zinc/50/74/01/1080507401.db2.gz BKOLUSOTMVRGAU-UHFFFAOYSA-N -1 3 415.862 2.203 20 30 HEEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)OCC#Cc2ccccc2)CCCC1 ZINC000786297178 1080542123 /nfs/dbraw/zinc/54/21/23/1080542123.db2.gz YKHSCUJLQBEGFV-UHFFFAOYSA-N -1 3 402.472 2.477 20 30 HEEDHM C#CCCN(CC(F)(F)F)C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000768618671 1080654953 /nfs/dbraw/zinc/65/49/53/1080654953.db2.gz SLHPTQSADBZYPV-NSHDSACASA-N -1 3 411.833 2.206 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)ccc1F ZINC000768591366 1080671173 /nfs/dbraw/zinc/67/11/73/1080671173.db2.gz FQOHETSPFFJFQG-RDTXWAMCSA-N -1 3 414.524 2.075 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2nc3cc(C)ccc3n2C)ccc1F ZINC000769036295 1080891409 /nfs/dbraw/zinc/89/14/09/1080891409.db2.gz UEGVQASCXVLBAH-UHFFFAOYSA-N -1 3 416.478 2.415 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(-c3cnn(C)c3)no2)ccc1F ZINC000769077140 1080929667 /nfs/dbraw/zinc/92/96/67/1080929667.db2.gz WMJAFODVEJOWST-UHFFFAOYSA-N -1 3 420.422 2.036 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)CCOC(C)(C)C ZINC000769321451 1081042349 /nfs/dbraw/zinc/04/23/49/1081042349.db2.gz AJIBTIBFVMZUMI-MRXNPFEDSA-N -1 3 409.552 2.413 20 30 HEEDHM C[C@H](CC(=O)NCCc1ccc(F)c(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000787329813 1081106588 /nfs/dbraw/zinc/10/65/88/1081106588.db2.gz LTADWCSNHZEYFM-GFCCVEGCSA-N -1 3 407.442 2.141 20 30 HEEDHM C[C@@H](CC(=O)OCCCOCC(F)(F)F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496327 1078510508 /nfs/dbraw/zinc/51/05/08/1078510508.db2.gz LMWAZTCVHACJDT-NSHDSACASA-N -1 3 408.398 2.016 20 30 HEEDHM C[C@@H](CC(=O)OCc1ccccc1[N+](=O)[O-])/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496336 1078511293 /nfs/dbraw/zinc/51/12/93/1078511293.db2.gz LITHEHOOJLYIPT-LBPRGKRZSA-N -1 3 403.416 2.155 20 30 HEEDHM C[C@H](CC(=O)OCC(=O)c1cccc(F)c1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745496722 1078511957 /nfs/dbraw/zinc/51/19/57/1078511957.db2.gz ORCWFVKDHCEKGK-GFCCVEGCSA-N -1 3 404.419 2.069 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nccs1 ZINC000746362175 1078874634 /nfs/dbraw/zinc/87/46/34/1078874634.db2.gz WVNXPWAVRAXBEX-CQSZACIVSA-N -1 3 406.533 2.255 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCN[C@H](c3ccccc3C)C2)ccc1F ZINC001169830137 1079424985 /nfs/dbraw/zinc/42/49/85/1079424985.db2.gz HFHFPYIQXJDZDA-IBGZPJMESA-N -1 3 417.506 2.385 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000741235726 1076428827 /nfs/dbraw/zinc/42/88/27/1076428827.db2.gz UJZUYDMUGKKBRT-ONIAQPFYSA-N -1 3 419.547 2.070 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C[S@@](C)=O)c2ccccc2)ccc1F ZINC000742197814 1076784559 /nfs/dbraw/zinc/78/45/59/1076784559.db2.gz AKODBBJQRAGIPF-CBZJRKILSA-N -1 3 424.519 2.140 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C[S@](C)=O)c2ccccc2)ccc1F ZINC000742197815 1076784975 /nfs/dbraw/zinc/78/49/75/1076784975.db2.gz AKODBBJQRAGIPF-CRYYWNKWSA-N -1 3 424.519 2.140 20 30 HEEDHM Cc1ccc(OCCN(C)C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742499060 1076845337 /nfs/dbraw/zinc/84/53/37/1076845337.db2.gz MQPQBOIHOMFUTM-INIZCTEOSA-N -1 3 415.515 2.350 20 30 HEEDHM C[C@@H](CC(=O)NCCc1cccc2cccnc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742505628 1076845969 /nfs/dbraw/zinc/84/59/69/1076845969.db2.gz RBMSAVGYCYDHNM-HNNXBMFYSA-N -1 3 422.510 2.411 20 30 HEEDHM CC(C)N(Cc1ccccn1)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742561770 1076849226 /nfs/dbraw/zinc/84/92/26/1076849226.db2.gz MEGNEZGFPYMMMX-HNNXBMFYSA-N -1 3 400.504 2.336 20 30 HEEDHM CCC(=O)Nc1ccc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742547528 1076850947 /nfs/dbraw/zinc/85/09/47/1076850947.db2.gz QMOMZWVUZMEPTK-CYBMUJFWSA-N -1 3 414.487 2.491 20 30 HEEDHM CC(C)Cc1nnc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000742571147 1076852372 /nfs/dbraw/zinc/85/23/72/1076852372.db2.gz XROAEYZWIPNQIR-LLVKDONJSA-N -1 3 407.521 2.192 20 30 HEEDHM CCOc1ccccc1CNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742572680 1076852698 /nfs/dbraw/zinc/85/26/98/1076852698.db2.gz FFBYJVRCEAJQTG-AWEZNQCLSA-N -1 3 401.488 2.219 20 30 HEEDHM C[C@@H](CC(=O)NCc1cccc2cccnc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742593208 1076854039 /nfs/dbraw/zinc/85/40/39/1076854039.db2.gz LKUQCUHBCAJBSG-AWEZNQCLSA-N -1 3 408.483 2.368 20 30 HEEDHM C[C@@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742693129 1076867365 /nfs/dbraw/zinc/86/73/65/1076867365.db2.gz MJJFPOMKRFSXTB-LBPRGKRZSA-N -1 3 414.443 2.001 20 30 HEEDHM CC[C@H](NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)c1c(C)nn(C)c1C ZINC000742828657 1076884192 /nfs/dbraw/zinc/88/41/92/1076884192.db2.gz PQRUBBPUZQWIKX-WBMJQRKESA-N -1 3 417.535 2.122 20 30 HEEDHM C[C@@H]1CN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c2cc(Cl)ccc2O1 ZINC000742866634 1076890111 /nfs/dbraw/zinc/89/01/11/1076890111.db2.gz XXOMUEGAMSOYHT-LLVKDONJSA-N -1 3 405.863 2.193 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)OCC)n(C)c2)ccc1F ZINC000743758458 1077102090 /nfs/dbraw/zinc/10/20/90/1077102090.db2.gz PRMBCMPZDPINJO-UHFFFAOYSA-N -1 3 409.439 2.058 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC2(C1)CCOCC2 ZINC000743784120 1077113276 /nfs/dbraw/zinc/11/32/76/1077113276.db2.gz RKHWBNHHHASBLD-QGZVFWFLSA-N -1 3 419.547 2.313 20 30 HEEDHM CCOC(=O)c1cccc(OC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744022693 1077297843 /nfs/dbraw/zinc/29/78/43/1077297843.db2.gz NUNDURHELBMGBL-ZDUSSCGKSA-N -1 3 416.455 2.286 20 30 HEEDHM C[C@H](CC(=O)OCc1cc(F)ccc1[N+](=O)[O-])/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744074790 1077313193 /nfs/dbraw/zinc/31/31/93/1077313193.db2.gz QHTCSEZHNARQMO-LLVKDONJSA-N -1 3 421.406 2.294 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCc1ccc(OC)nc1 ZINC000744318093 1077362710 /nfs/dbraw/zinc/36/27/10/1077362710.db2.gz HCTPRFAOGOMUQD-MRXNPFEDSA-N -1 3 417.487 2.431 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1ccccc1NCC(F)(F)F ZINC000744334909 1077368821 /nfs/dbraw/zinc/36/88/21/1077368821.db2.gz GBKSSSQANXDGKW-UHFFFAOYSA-N -1 3 412.393 2.338 20 30 HEEDHM C[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)Nc1ccccc1C#N ZINC000744723363 1077555883 /nfs/dbraw/zinc/55/58/83/1077555883.db2.gz FIEHHEOZEOVDEJ-KBXCAEBGSA-N -1 3 407.426 2.439 20 30 HEEDHM CC(=O)N(C)c1cccc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000744772230 1077577609 /nfs/dbraw/zinc/57/76/09/1077577609.db2.gz AUOOXEKDEQRJLS-ZDUSSCGKSA-N -1 3 414.487 2.125 20 30 HEEDHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)ccc1F ZINC000744913942 1077664956 /nfs/dbraw/zinc/66/49/56/1077664956.db2.gz GDHHSCBFBSDQMT-UHFFFAOYSA-N -1 3 416.390 2.476 20 30 HEEDHM Cc1ccc(C(=O)NCCC(=O)OCc2nnc(-c3cccc(C#N)c3)o2)c([O-])c1 ZINC000744920345 1077667452 /nfs/dbraw/zinc/66/74/52/1077667452.db2.gz DFJHDMJHUWKFFD-UHFFFAOYSA-N -1 3 406.398 2.486 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1ccc(N(C)C)cn1 ZINC000745135578 1077748804 /nfs/dbraw/zinc/74/88/04/1077748804.db2.gz BOIHJXCDKLEYSN-MRXNPFEDSA-N -1 3 415.519 2.240 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCc1ccccn1 ZINC000772531434 1079917612 /nfs/dbraw/zinc/91/76/12/1079917612.db2.gz QRTIYFGJYOPESA-GOSISDBHSA-N -1 3 414.531 2.428 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCCCc1ccccn1 ZINC000772531438 1079917805 /nfs/dbraw/zinc/91/78/05/1079917805.db2.gz QRTIYFGJYOPESA-SFHVURJKSA-N -1 3 414.531 2.428 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(-n3cnnc3C)c2)ccc1F ZINC000767872270 1080211961 /nfs/dbraw/zinc/21/19/61/1080211961.db2.gz LNUQLAZXCNEQAA-UHFFFAOYSA-N -1 3 415.450 2.431 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC1C[C@@H](C)O[C@@H](C)C1 ZINC000768056988 1080297993 /nfs/dbraw/zinc/29/79/93/1080297993.db2.gz ZAYACYNQYMTPAF-MYSGWJLTSA-N -1 3 407.536 2.356 20 30 HEEDHM Cc1nc(Cn2cc(C([O-])=C(C#N)C(=O)Nc3cccc4ccccc43)nn2)no1 ZINC000786308158 1080556004 /nfs/dbraw/zinc/55/60/04/1080556004.db2.gz PLKODQKLUGJUCH-HNNXBMFYSA-N -1 3 401.386 2.132 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1ccc(OC)cn1 ZINC000768879758 1080829530 /nfs/dbraw/zinc/82/95/30/1080829530.db2.gz WRTUVSNMYYMPFW-KRWDZBQOSA-N -1 3 416.503 2.004 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000769046386 1080893858 /nfs/dbraw/zinc/89/38/58/1080893858.db2.gz YJLDMEABTKNOHR-LBPRGKRZSA-N -1 3 405.426 2.019 20 30 HEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000787060720 1081000795 /nfs/dbraw/zinc/00/07/95/1081000795.db2.gz MONKZHKSXVCKQI-GOSISDBHSA-N -1 3 421.413 2.142 20 30 HEEDHM COC(=O)c1cc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1C ZINC000746637373 1081008901 /nfs/dbraw/zinc/00/89/01/1081008901.db2.gz MOKZNXZROHCWKY-CYBMUJFWSA-N -1 3 415.471 2.237 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCC1(CCOC)CC1 ZINC000769380817 1081057959 /nfs/dbraw/zinc/05/79/59/1081057959.db2.gz CFAKLXXQGOVBLA-INIZCTEOSA-N -1 3 407.536 2.217 20 30 HEEDHM C[C@H](CC(=O)N1CCCCC[C@@H]1c1ncon1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000787260638 1081076304 /nfs/dbraw/zinc/07/63/04/1081076304.db2.gz AWPUBZTVBIAJLH-UKRRQHHQSA-N -1 3 417.491 2.031 20 30 HEEDHM C[C@H](CC(=O)O[C@@H](C)C(=O)c1ccccc1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745498487 1078514986 /nfs/dbraw/zinc/51/49/86/1078514986.db2.gz XHILBANVJGYKKD-KGLIPLIRSA-N -1 3 400.456 2.318 20 30 HEEDHM CC(C)CCc1noc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)n1 ZINC000745496906 1078512049 /nfs/dbraw/zinc/51/20/49/1078512049.db2.gz OXSGUDMXJYOHBT-CYBMUJFWSA-N -1 3 420.491 2.219 20 30 HEEDHM C[C@H](CC(=O)OCc1ccc(C#N)cc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498533 1078515178 /nfs/dbraw/zinc/51/51/78/1078515178.db2.gz XQOXCZMIGCAKOU-GFCCVEGCSA-N -1 3 401.419 2.258 20 30 HEEDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 ZINC000770107434 1078717032 /nfs/dbraw/zinc/71/70/32/1078717032.db2.gz JUTPBBPDTXOIOK-GOSISDBHSA-N -1 3 419.503 2.245 20 30 HEEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn2cc(Br)cnc12 ZINC000770098708 1078722466 /nfs/dbraw/zinc/72/24/66/1078722466.db2.gz GYDHHVLQOYLXDS-LLVKDONJSA-N -1 3 414.219 2.462 20 30 HEEDHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000770249310 1078811476 /nfs/dbraw/zinc/81/14/76/1078811476.db2.gz YBSDBIZYARFKRH-OLZOCXBDSA-N -1 3 401.463 2.399 20 30 HEEDHM CCCCn1ncc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000746241804 1078830084 /nfs/dbraw/zinc/83/00/84/1078830084.db2.gz OTDYQMLJCGCYJP-CYBMUJFWSA-N -1 3 403.508 2.447 20 30 HEEDHM CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000771162742 1079177112 /nfs/dbraw/zinc/17/71/12/1079177112.db2.gz GQTVQEJWKKWLBV-UHFFFAOYSA-N -1 3 414.436 2.235 20 30 HEEDHM CCOc1cccc(CCNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000771298206 1079272434 /nfs/dbraw/zinc/27/24/34/1079272434.db2.gz IZBSDYXOTHLFEM-OAHLLOKOSA-N -1 3 415.515 2.261 20 30 HEEDHM CCC[C@H](CCO)CNC(=O)[C@@H](CC(C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000771655697 1079426476 /nfs/dbraw/zinc/42/64/76/1079426476.db2.gz VDXWEKDHFDCFSQ-NVXWUHKLSA-N -1 3 409.552 2.055 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCC(=O)N(C)c3ccccc32)ccc1F ZINC000737593655 1075915040 /nfs/dbraw/zinc/91/50/40/1075915040.db2.gz XLNPZKGNHTUJJF-UHFFFAOYSA-N -1 3 417.462 2.303 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)ccc1F ZINC000741967862 1076695087 /nfs/dbraw/zinc/69/50/87/1076695087.db2.gz SYPAOSAYLBQOIH-GFCCVEGCSA-N -1 3 408.499 2.001 20 30 HEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000742201537 1076788574 /nfs/dbraw/zinc/78/85/74/1076788574.db2.gz SGZOZYYAIVLZCF-UHFFFAOYSA-N -1 3 412.412 2.125 20 30 HEEDHM C[C@H](CC(=O)N(C)CCOc1ccccc1F)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742498054 1076845161 /nfs/dbraw/zinc/84/51/61/1076845161.db2.gz DXULHKRTOAJRHE-CQSZACIVSA-N -1 3 419.478 2.180 20 30 HEEDHM C[C@H](CC(=O)N1CCC[C@H]1c1cccn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742499846 1076845489 /nfs/dbraw/zinc/84/54/89/1076845489.db2.gz XLVMEXNKWUHGIS-PBHICJAKSA-N -1 3 400.504 2.206 20 30 HEEDHM CO[C@H](CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC000742518252 1076846899 /nfs/dbraw/zinc/84/68/99/1076846899.db2.gz YQIZUOKFPVWHRU-RHSMWYFYSA-N -1 3 401.488 2.008 20 30 HEEDHM CCOCc1ccc(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000742526305 1076847732 /nfs/dbraw/zinc/84/77/32/1076847732.db2.gz AGXWDFSMKGCUTQ-HNNXBMFYSA-N -1 3 415.515 2.357 20 30 HEEDHM COc1ccc(C)cc1CNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742526053 1076847884 /nfs/dbraw/zinc/84/78/84/1076847884.db2.gz LPVXAZHLJOLALH-CQSZACIVSA-N -1 3 401.488 2.137 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccccc1-n1ccnc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742527812 1076848026 /nfs/dbraw/zinc/84/80/26/1076848026.db2.gz NNVNAGLEZTZXKM-AWEZNQCLSA-N -1 3 409.471 2.328 20 30 HEEDHM CC(=O)Nc1ccc(C)c(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742539027 1076849814 /nfs/dbraw/zinc/84/98/14/1076849814.db2.gz TXEYERRAZLAPNV-ZDUSSCGKSA-N -1 3 414.487 2.409 20 30 HEEDHM CC(C)Oc1ccc(CNC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cn1 ZINC000742544148 1076850210 /nfs/dbraw/zinc/85/02/10/1076850210.db2.gz CHRJNXDLOIZBKB-AWEZNQCLSA-N -1 3 416.503 2.002 20 30 HEEDHM C[C@H](CC(=O)Nc1ccc(Cn2cccn2)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742552248 1076851222 /nfs/dbraw/zinc/85/12/22/1076851222.db2.gz QBYQMVHKBHZIHF-OAHLLOKOSA-N -1 3 423.498 2.387 20 30 HEEDHM CCCCc1nnc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000742570785 1076852489 /nfs/dbraw/zinc/85/24/89/1076852489.db2.gz PZPYNNWZEZSDMY-LLVKDONJSA-N -1 3 407.521 2.337 20 30 HEEDHM C[C@H](CC(=O)N[C@@H]1CCOc2c(F)cccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742576712 1076852959 /nfs/dbraw/zinc/85/29/59/1076852959.db2.gz UFXABYZOPRSDIG-MLGOLLRUSA-N -1 3 417.462 2.283 20 30 HEEDHM CCc1nc(CN(C)C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cs1 ZINC000742583611 1076853410 /nfs/dbraw/zinc/85/34/10/1076853410.db2.gz QETOSJXZFYKDIL-GFCCVEGCSA-N -1 3 406.533 2.181 20 30 HEEDHM COc1ccc(N(C)C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC000742584604 1076853476 /nfs/dbraw/zinc/85/34/76/1076853476.db2.gz YAJCZOXRBYQYLJ-ZDUSSCGKSA-N -1 3 417.487 2.184 20 30 HEEDHM COc1ccc(N(C)C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC000742584603 1076853489 /nfs/dbraw/zinc/85/34/89/1076853489.db2.gz YAJCZOXRBYQYLJ-CYBMUJFWSA-N -1 3 417.487 2.184 20 30 HEEDHM C[C@@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742597167 1076854623 /nfs/dbraw/zinc/85/46/23/1076854623.db2.gz OZTPXQHQCABHBE-ZDUSSCGKSA-N -1 3 418.494 2.025 20 30 HEEDHM COCc1cc(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1F ZINC000742652084 1076858496 /nfs/dbraw/zinc/85/84/96/1076858496.db2.gz AXNZRIYSLPONQI-CYBMUJFWSA-N -1 3 419.478 2.106 20 30 HEEDHM C[C@H](CC(=O)NC[C@H]1CCOc2ccccc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742656476 1076865271 /nfs/dbraw/zinc/86/52/71/1076865271.db2.gz CPEVEKRUAJKTRR-HUUCEWRRSA-N -1 3 413.499 2.186 20 30 HEEDHM C[C@@H](CC(=O)Nc1cc(CC(C)(C)C)[nH]n1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000742705581 1076869401 /nfs/dbraw/zinc/86/94/01/1076869401.db2.gz XKPWCFXZFDTWMT-LBPRGKRZSA-N -1 3 403.508 2.454 20 30 HEEDHM C[C@@H](CC(=O)NCc1coc(-c2ccccc2)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742705890 1076869421 /nfs/dbraw/zinc/86/94/21/1076869421.db2.gz JFQGYGJXSNGHCW-AWEZNQCLSA-N -1 3 424.482 2.475 20 30 HEEDHM C[C@H](CC(=O)NC[C@@H](C)Oc1cccc(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742714109 1076873558 /nfs/dbraw/zinc/87/35/58/1076873558.db2.gz HGAAELLLWSANFV-ZIAGYGMSSA-N -1 3 419.478 2.227 20 30 HEEDHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742945502 1076899386 /nfs/dbraw/zinc/89/93/86/1076899386.db2.gz IDPOVSRBMFSKAD-KRWDZBQOSA-N -1 3 403.479 2.248 20 30 HEEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000743449461 1077051494 /nfs/dbraw/zinc/05/14/94/1077051494.db2.gz YBWLNKLQYPELGC-UHFFFAOYSA-N -1 3 421.544 2.113 20 30 HEEDHM COCCc1ccc(OC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000744023947 1077298545 /nfs/dbraw/zinc/29/85/45/1077298545.db2.gz XCQGKRFFCPAPJR-AWEZNQCLSA-N -1 3 402.472 2.298 20 30 HEEDHM COc1ccc(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1OC ZINC000744044653 1077307058 /nfs/dbraw/zinc/30/70/58/1077307058.db2.gz SDUZMUFEWSYIRP-CYBMUJFWSA-N -1 3 418.471 2.264 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCc1ccc(OC)nc1 ZINC000744318092 1077362792 /nfs/dbraw/zinc/36/27/92/1077362792.db2.gz HCTPRFAOGOMUQD-INIZCTEOSA-N -1 3 417.487 2.431 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(F)(F)F)O[C@@H](C)C2)ccc1F ZINC000744730555 1077558862 /nfs/dbraw/zinc/55/88/62/1077558862.db2.gz YWJGUKQVIMGTTF-IINYFYTJSA-N -1 3 410.389 2.082 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCC(=O)OC(C)(C)C)ccc1F ZINC000744806316 1077599891 /nfs/dbraw/zinc/59/98/91/1077599891.db2.gz XDQACOJVWVYLGI-UHFFFAOYSA-N -1 3 400.472 2.142 20 30 HEEDHM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000771935755 1079590556 /nfs/dbraw/zinc/59/05/56/1079590556.db2.gz VAVPHCZKQABISN-UHFFFAOYSA-N -1 3 411.252 2.487 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)ccc1F ZINC000772241101 1079783007 /nfs/dbraw/zinc/78/30/07/1079783007.db2.gz FUMNJJOOVWKTRW-HNNXBMFYSA-N -1 3 417.462 2.146 20 30 HEEDHM CC(C)[C@@H](NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccn1 ZINC000742691594 1080296881 /nfs/dbraw/zinc/29/68/81/1080296881.db2.gz PLNAMCGAWAMKQG-AUUYWEPGSA-N -1 3 400.504 2.412 20 30 HEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)NCC(=O)c1ccccc1 ZINC000786288370 1080533951 /nfs/dbraw/zinc/53/39/51/1080533951.db2.gz JRTOFEWICUDDEF-OAHLLOKOSA-N -1 3 409.442 2.139 20 30 HEEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cn(Cc3noc(C)n3)nn2)cc1 ZINC000786315533 1080559366 /nfs/dbraw/zinc/55/93/66/1080559366.db2.gz ZUINIUZEBRLXDI-MRXNPFEDSA-N -1 3 407.434 2.322 20 30 HEEDHM Cc1cccc(OCCOC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000745495806 1078510543 /nfs/dbraw/zinc/51/05/43/1078510543.db2.gz IUDFZYMQRAYZKS-OAHLLOKOSA-N -1 3 402.472 2.434 20 30 HEEDHM Cc1ccc(OCCOC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000745497946 1078513667 /nfs/dbraw/zinc/51/36/67/1078513667.db2.gz YSDKUWHBPJRREU-HNNXBMFYSA-N -1 3 402.472 2.434 20 30 HEEDHM C[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000770099565 1078723077 /nfs/dbraw/zinc/72/30/77/1078723077.db2.gz MOJFNTJWKRNRLA-IINYFYTJSA-N -1 3 415.899 2.046 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nc3c(cccc3OC)n2C)ccc1F ZINC000770177696 1078748791 /nfs/dbraw/zinc/74/87/91/1078748791.db2.gz LOYYDGHCAIERJE-UHFFFAOYSA-N -1 3 418.450 2.438 20 30 HEEDHM CCCCn1ncc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000746241806 1078830125 /nfs/dbraw/zinc/83/01/25/1078830125.db2.gz OTDYQMLJCGCYJP-ZDUSSCGKSA-N -1 3 403.508 2.447 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCC1(Cc2ccc(F)cc2)CC1 ZINC000770777874 1079009620 /nfs/dbraw/zinc/00/96/20/1079009620.db2.gz OBUJCJCURHMARF-UHFFFAOYSA-N -1 3 401.463 2.003 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)CC(C)(C)C ZINC000770805147 1079026420 /nfs/dbraw/zinc/02/64/20/1079026420.db2.gz IJZCCHXPGKAKLO-HOCLYGCPSA-N -1 3 409.552 2.197 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)CC(C)(C)C ZINC000770805150 1079026497 /nfs/dbraw/zinc/02/64/97/1079026497.db2.gz IJZCCHXPGKAKLO-ZBFHGGJFSA-N -1 3 409.552 2.197 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCO[C@H](C)C1 ZINC000771324770 1079287817 /nfs/dbraw/zinc/28/78/17/1079287817.db2.gz GMWDTKCSABNPAJ-INMHGKMJSA-N -1 3 407.536 2.071 20 30 HEEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)nc1Cl ZINC000766840825 1079431358 /nfs/dbraw/zinc/43/13/58/1079431358.db2.gz JNKJVWMZMHELTB-ZDUSSCGKSA-N -1 3 400.822 2.407 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2noc(C)n2)ccc1F ZINC000737624952 1075913605 /nfs/dbraw/zinc/91/36/05/1075913605.db2.gz MZPUCOZUPWIZJE-HNNXBMFYSA-N -1 3 408.455 2.349 20 30 HEEDHM COc1cc(C#N)ccc1COC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000766889403 1079492602 /nfs/dbraw/zinc/49/26/02/1079492602.db2.gz SZYHLRRCKUNFIU-UHFFFAOYSA-N -1 3 400.865 2.303 20 30 HEEDHM C#CCSCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000739987361 1076090409 /nfs/dbraw/zinc/09/04/09/1076090409.db2.gz MXMRPVZKJAHQGR-UHFFFAOYSA-N -1 3 410.286 2.020 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCC(=O)C1CCCC1 ZINC000741828305 1076648187 /nfs/dbraw/zinc/64/81/87/1076648187.db2.gz FLAQONQUQFLSEA-INIZCTEOSA-N -1 3 406.504 2.442 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@]2(O)CCCc3ccccc32)ccc1F ZINC000742202600 1076789732 /nfs/dbraw/zinc/78/97/32/1076789732.db2.gz YIEZAAODPHXIQO-NRFANRHFSA-N -1 3 418.490 2.244 20 30 HEEDHM COC(=O)c1ccc(C)c(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742473443 1076842623 /nfs/dbraw/zinc/84/26/23/1076842623.db2.gz GFCNEMJSNIEKMJ-CYBMUJFWSA-N -1 3 415.471 2.237 20 30 HEEDHM C[C@@H](CC(=O)NCCCOC1CCCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742490187 1076844256 /nfs/dbraw/zinc/84/42/56/1076844256.db2.gz YFPIJRDFINDYHZ-HNNXBMFYSA-N -1 3 407.536 2.359 20 30 HEEDHM CC(=O)Nc1cccc(OC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742492538 1076844704 /nfs/dbraw/zinc/84/47/04/1076844704.db2.gz IXKGBWZAQIAJSU-GFCCVEGCSA-N -1 3 401.444 2.068 20 30 HEEDHM C[C@H](CC(=O)N1CCC[C@@H]1c1cccn1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742499847 1076845498 /nfs/dbraw/zinc/84/54/98/1076845498.db2.gz XLVMEXNKWUHGIS-RHSMWYFYSA-N -1 3 400.504 2.206 20 30 HEEDHM C[C@H](CC(=O)Nc1ccn(-c2ccccc2)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742515966 1076849246 /nfs/dbraw/zinc/84/92/46/1076849246.db2.gz WLGSYKCIDGWELZ-CQSZACIVSA-N -1 3 409.471 2.328 20 30 HEEDHM C[C@H](CC(=O)Nc1nnc(-c2ccco2)s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742570459 1076852457 /nfs/dbraw/zinc/85/24/57/1076852457.db2.gz QLQLVXLVHPOLKG-SNVBAGLBSA-N -1 3 417.472 2.254 20 30 HEEDHM C[C@@H](CC(=O)Nc1nnc(C(F)(F)F)s1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742570652 1076852535 /nfs/dbraw/zinc/85/25/35/1076852535.db2.gz UNSUQVHANFQKHI-ZETCQYMHSA-N -1 3 419.410 2.013 20 30 HEEDHM CC(=O)Nc1ccc(C)cc1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742627072 1076858884 /nfs/dbraw/zinc/85/88/84/1076858884.db2.gz CTKAIJFBWGMTAB-CYBMUJFWSA-N -1 3 414.487 2.409 20 30 HEEDHM Cc1ccccc1OCCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742641581 1076860698 /nfs/dbraw/zinc/86/06/98/1076860698.db2.gz JMFYZQOGFOIBBH-INIZCTEOSA-N -1 3 415.515 2.397 20 30 HEEDHM Cc1ccc(-c2nc(NC(=O)C[C@@H](C)N=C3[N-]S(=O)(=O)c4ccccc43)n[nH]2)cc1 ZINC000742663591 1076861811 /nfs/dbraw/zinc/86/18/11/1076861811.db2.gz KENVMEKSKAZECJ-CYBMUJFWSA-N -1 3 424.486 2.236 20 30 HEEDHM C[C@H](CC(=O)N[C@@H]1CCOc2ccc(F)cc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742656506 1076865277 /nfs/dbraw/zinc/86/52/77/1076865277.db2.gz GRTKFBKHEBZBPH-MLGOLLRUSA-N -1 3 417.462 2.283 20 30 HEEDHM C[C@@H](CC(=O)NCC1(c2cccc(F)c2)CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742695429 1076867563 /nfs/dbraw/zinc/86/75/63/1076867563.db2.gz PZDMSFLTZLWUTQ-AWEZNQCLSA-N -1 3 415.490 2.491 20 30 HEEDHM C[C@H](CC(=O)Nc1ccc2c(c1)NC(=O)CC2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742704968 1076869082 /nfs/dbraw/zinc/86/90/82/1076869082.db2.gz ULLQRLCJCGJVBH-GFCCVEGCSA-N -1 3 412.471 2.027 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000742925305 1076898394 /nfs/dbraw/zinc/89/83/94/1076898394.db2.gz SLQNJGRESDUEFE-UHFFFAOYSA-N -1 3 415.862 2.203 20 30 HEEDHM C[C@H](CC(=O)Oc1cccc(-n2cccn2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744168199 1077329633 /nfs/dbraw/zinc/32/96/33/1077329633.db2.gz YMVWVBVJBBYYPE-CQSZACIVSA-N -1 3 410.455 2.295 20 30 HEEDHM Cc1nnc([C@H](C)OC(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)o1 ZINC000744478955 1077410360 /nfs/dbraw/zinc/41/03/60/1077410360.db2.gz YNCHLNKXPYTWCD-SMDDNHRTSA-N -1 3 406.464 2.136 20 30 HEEDHM C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)Nc1ccccc1C#N ZINC000744723365 1077556057 /nfs/dbraw/zinc/55/60/57/1077556057.db2.gz FIEHHEOZEOVDEJ-KSSFIOAISA-N -1 3 407.426 2.439 20 30 HEEDHM COC(=O)c1ccc(Cl)c(NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)c1C ZINC000767224857 1079748703 /nfs/dbraw/zinc/74/87/03/1079748703.db2.gz DFNUGNGPFBLJCR-UHFFFAOYSA-N -1 3 421.862 2.112 20 30 HEEDHM CCOC(=O)[C@@]1(CCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCC1=O ZINC000767273748 1079770893 /nfs/dbraw/zinc/77/08/93/1079770893.db2.gz HEYXVRDLVFTDIT-OAQYLSRUSA-N -1 3 402.447 2.444 20 30 HEEDHM COc1ccc(C#N)cc1COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000772282166 1079810509 /nfs/dbraw/zinc/81/05/09/1079810509.db2.gz XJQJJWJMMFXMQF-CYBMUJFWSA-N -1 3 413.455 2.127 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2COc3cc(OC)ccc3C2)ccc1F ZINC000767389096 1079841506 /nfs/dbraw/zinc/84/15/06/1079841506.db2.gz GLIYFJZZTSOWKG-HNNXBMFYSA-N -1 3 420.462 2.032 20 30 HEEDHM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000772446701 1079881962 /nfs/dbraw/zinc/88/19/62/1079881962.db2.gz LAPBNBCESAEBQT-UHFFFAOYSA-N -1 3 411.252 2.487 20 30 HEEDHM C[C@H](CC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000772473985 1079893673 /nfs/dbraw/zinc/89/36/73/1079893673.db2.gz ILSXYRQSEBYUTR-CABCVRRESA-N -1 3 415.515 2.299 20 30 HEEDHM Cc1cncc(C=CC([O-])=C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000772554177 1079961015 /nfs/dbraw/zinc/96/10/15/1079961015.db2.gz MGQXQJAMGVNWPF-SFAKSCPVSA-N -1 3 408.370 2.430 20 30 HEEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000785515927 1080029677 /nfs/dbraw/zinc/02/96/77/1080029677.db2.gz CRCFDCQFYOBGJM-ZYHUDNBSSA-N -1 3 420.413 2.138 20 30 HEEDHM C[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc(C(F)(F)F)cs1 ZINC000785558289 1080057396 /nfs/dbraw/zinc/05/73/96/1080057396.db2.gz YCHBCFLGGFXMOF-QMMMGPOBSA-N -1 3 418.422 2.078 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000785693506 1080167288 /nfs/dbraw/zinc/16/72/88/1080167288.db2.gz MTEAFUJMGOFQJF-UHFFFAOYSA-N -1 3 415.437 2.497 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC1C[C@H](C)O[C@@H](C)C1 ZINC000768056989 1080297807 /nfs/dbraw/zinc/29/78/07/1080297807.db2.gz ZAYACYNQYMTPAF-ZQIUZPCESA-N -1 3 407.536 2.356 20 30 HEEDHM C[C@@H](CC(=O)OCCOc1cccc(Cl)n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000768161050 1080378862 /nfs/dbraw/zinc/37/88/62/1080378862.db2.gz SNKFUHOQPICXAT-LBPRGKRZSA-N 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CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccc(C#N)c(F)c2)cc1F ZINC000769649363 1078483706 /nfs/dbraw/zinc/48/37/06/1078483706.db2.gz SJRBXUJBXDFUEX-UHFFFAOYSA-N -1 3 402.400 2.366 20 30 HEEDHM C#CCOc1ccccc1OS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000769651085 1078485497 /nfs/dbraw/zinc/48/54/97/1078485497.db2.gz AKXDXUWWUGKRJU-UHFFFAOYSA-N -1 3 413.448 2.367 20 30 HEEDHM Cc1c(COC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000745494704 1078509289 /nfs/dbraw/zinc/50/92/89/1078509289.db2.gz BGZIPRLFJQTWBJ-GFCCVEGCSA-N -1 3 417.443 2.464 20 30 HEEDHM C[C@@H](CC(=O)OCC(=O)c1ccc(F)cc1)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC000745498347 1078514197 /nfs/dbraw/zinc/51/41/97/1078514197.db2.gz WPTNOSQYNGOXCN-LBPRGKRZSA-N -1 3 404.419 2.069 20 30 HEEDHM N#C[C@@]1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCc2ccccc2C1 ZINC000770112726 1078734062 /nfs/dbraw/zinc/73/40/62/1078734062.db2.gz SVYQWIJIFPQATI-OAQYLSRUSA-N -1 3 413.474 2.447 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc3c2OCCCO3)ccc1F ZINC000770218551 1078771474 /nfs/dbraw/zinc/77/14/74/1078771474.db2.gz CKJBLPWFXLOEPD-UHFFFAOYSA-N -1 3 420.462 2.381 20 30 HEEDHM C[C@@H](CC(=O)N(C)Cc1cccc(N(C)C)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000770233744 1078778381 /nfs/dbraw/zinc/77/83/81/1078778381.db2.gz KBWSWTDCHHFFBR-HNNXBMFYSA-N -1 3 414.531 2.228 20 30 HEEDHM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c([O-])c1O ZINC000770486889 1078877823 /nfs/dbraw/zinc/87/78/23/1078877823.db2.gz VFRJRZXYWWFKBY-PGMHBOJBSA-N -1 3 403.460 2.471 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCc1cc(C)nn1C ZINC000766422313 1078974341 /nfs/dbraw/zinc/97/43/41/1078974341.db2.gz URFBOQKHCFAWDS-INIZCTEOSA-N -1 3 404.492 2.069 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CO)c2c(F)cccc2F)ccc1F ZINC000771071602 1079127135 /nfs/dbraw/zinc/12/71/35/1079127135.db2.gz RBQUHQKOJWJNER-HNNXBMFYSA-N -1 3 414.405 2.032 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1cnn(C)c1C1CC1 ZINC000771475990 1079352600 /nfs/dbraw/zinc/35/26/00/1079352600.db2.gz JWAPTCMUQMONFS-OAHLLOKOSA-N -1 3 415.519 2.389 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)ccc1F ZINC000771678124 1079463546 /nfs/dbraw/zinc/46/35/46/1079463546.db2.gz OTMCNCDSYSHBPV-KZULUSFZSA-N -1 3 410.442 2.281 20 30 HEEDHM C[C@H](NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ncc(-c2ccccc2)o1 ZINC000739777132 1076082011 /nfs/dbraw/zinc/08/20/11/1076082011.db2.gz GKHSJENYBSJVJB-ZDUSSCGKSA-N -1 3 410.455 2.258 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)Oc2cccc(OC)c2)ccc1F ZINC000742015390 1076708248 /nfs/dbraw/zinc/70/82/48/1076708248.db2.gz GQSHAXAEEOOYIA-CQSZACIVSA-N -1 3 422.478 2.496 20 30 HEEDHM CC1CCC(N(C[C@H]2CCCO2)C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000741997023 1076711880 /nfs/dbraw/zinc/71/18/80/1076711880.db2.gz DHELTINARVEWJR-OFLPRAFFSA-N -1 3 419.547 2.311 20 30 HEEDHM Cc1cccc(OCCCNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742499808 1076845503 /nfs/dbraw/zinc/84/55/03/1076845503.db2.gz DGRJCARPDZNLRT-MRXNPFEDSA-N -1 3 415.515 2.397 20 30 HEEDHM C[C@@H](CC(=O)NCc1cnn(-c2ccccc2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742507564 1076846287 /nfs/dbraw/zinc/84/62/87/1076846287.db2.gz YOTJYWXKQMCUGU-HNNXBMFYSA-N -1 3 423.498 2.006 20 30 HEEDHM C[C@@H](CC(=O)N(C)Cc1ccc(F)c(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742517471 1076847081 /nfs/dbraw/zinc/84/70/81/1076847081.db2.gz CQRCCKKMJOUIMU-LBPRGKRZSA-N -1 3 407.442 2.441 20 30 HEEDHM C[C@@H](CC(=O)Nc1ccc2c(c1)CCC(=O)N2)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742531441 1076848215 /nfs/dbraw/zinc/84/82/15/1076848215.db2.gz BODUOALNAZHCHC-LBPRGKRZSA-N -1 3 412.471 2.027 20 30 HEEDHM C[C@H](CC(=O)N1CCO[C@@H](c2ccccc2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742513420 1076849075 /nfs/dbraw/zinc/84/90/75/1076849075.db2.gz BBERPVVQKNSPOM-CRAIPNDOSA-N -1 3 413.499 2.104 20 30 HEEDHM COc1c(F)cc(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1F ZINC000742566390 1076849668 /nfs/dbraw/zinc/84/96/68/1076849668.db2.gz GRGBJLBVABMHDP-JTQLQIEISA-N -1 3 409.414 2.429 20 30 HEEDHM COCCOc1ccccc1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742581066 1076853220 /nfs/dbraw/zinc/85/32/20/1076853220.db2.gz KMYOKDSRVOGTKG-AWEZNQCLSA-N -1 3 417.487 2.168 20 30 HEEDHM C[C@@H](CC(=O)NCCc1cc(F)cc(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742605670 1076855837 /nfs/dbraw/zinc/85/58/37/1076855837.db2.gz XAQCJDLLQWNLND-LBPRGKRZSA-N -1 3 407.442 2.141 20 30 HEEDHM COC[C@H](NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC000742620660 1076857401 /nfs/dbraw/zinc/85/74/01/1076857401.db2.gz FRCZYJKFBJIPTE-YOEHRIQHSA-N -1 3 401.488 2.008 20 30 HEEDHM Cc1ccc(-c2nc(NC(=O)C[C@H](C)N=C3[N-]S(=O)(=O)c4ccccc43)n[nH]2)cc1 ZINC000742663592 1076861789 /nfs/dbraw/zinc/86/17/89/1076861789.db2.gz KENVMEKSKAZECJ-ZDUSSCGKSA-N -1 3 424.486 2.236 20 30 HEEDHM Cc1cccc(O[C@H](C)CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742713207 1076865909 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/nfs/dbraw/zinc/55/69/72/1077556972.db2.gz OVIKTKBZWGXBFX-WBVHZDCISA-N -1 3 413.474 2.271 20 30 HEEDHM C[C@H](OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)NC1(C#N)CCCCC1 ZINC000744725423 1077557051 /nfs/dbraw/zinc/55/70/51/1077557051.db2.gz OVIKTKBZWGXBFX-RDJZCZTQSA-N -1 3 413.474 2.271 20 30 HEEDHM CCOc1c(Br)cc(Br)cc1C=NN1CC(=O)[N-]C1=O ZINC000744809928 1077584167 /nfs/dbraw/zinc/58/41/67/1077584167.db2.gz DWIQLRIIMUZLQR-UHFFFAOYSA-N -1 3 405.046 2.496 20 30 HEEDHM COc1cc(C=NNC(=S)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1[O-] ZINC000767044415 1079603021 /nfs/dbraw/zinc/60/30/21/1079603021.db2.gz CKCAOEQRVUPIGI-UHFFFAOYSA-N -1 3 404.404 2.036 20 30 HEEDHM [O-]c1c(Br)cc(Br)cc1/C=N\C[C@@H]1CN2CCN1CC2 ZINC000746523356 1079664560 /nfs/dbraw/zinc/66/45/60/1079664560.db2.gz VPFMAEPZOPDPGS-JGSGYBEMSA-N -1 3 403.118 2.336 20 30 HEEDHM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC000767162245 1079700052 /nfs/dbraw/zinc/70/00/52/1079700052.db2.gz SQMIXUPXMLGIAF-GFCCVEGCSA-N -1 3 416.482 2.111 20 30 HEEDHM Cc1c(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cnn1CC(C)C ZINC000767146639 1079713979 /nfs/dbraw/zinc/71/39/79/1079713979.db2.gz JALNLZODELMWOQ-ZDUSSCGKSA-N -1 3 403.508 2.303 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)ccc1F ZINC000804370963 1079931666 /nfs/dbraw/zinc/93/16/66/1079931666.db2.gz YUVPZNRXUFWRLG-YGRLFVJLSA-N -1 3 410.389 2.082 20 30 HEEDHM C=CCNC(=O)COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000785524254 1080035367 /nfs/dbraw/zinc/03/53/67/1080035367.db2.gz UUTLNRABAACQFB-UHFFFAOYSA-N -1 3 406.435 2.394 20 30 HEEDHM CN(CCC#N)c1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000746492097 1080092332 /nfs/dbraw/zinc/09/23/32/1080092332.db2.gz RJPXJBDQDMRZIQ-UHFFFAOYSA-N -1 3 401.448 2.398 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@](C)(CC)C1 ZINC000785673184 1080191140 /nfs/dbraw/zinc/19/11/40/1080191140.db2.gz GRCMESWIKUQEQJ-JXFKEZNVSA-N -1 3 407.536 2.311 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1cnn(C(F)F)c1 ZINC000767892325 1080208197 /nfs/dbraw/zinc/20/81/97/1080208197.db2.gz NNEOPKRIDYSTTI-CYBMUJFWSA-N -1 3 411.434 2.370 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)OCC)cnc2C)ccc1F ZINC000768184879 1080401283 /nfs/dbraw/zinc/40/12/83/1080401283.db2.gz VJNGNUXANOPTBX-UHFFFAOYSA-N -1 3 421.450 2.422 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3c2OCC[C@@H]3O)ccc1F ZINC000768470124 1080587755 /nfs/dbraw/zinc/58/77/55/1080587755.db2.gz NFVIGBVALZYLLF-INIZCTEOSA-N -1 3 406.435 2.358 20 30 HEEDHM CCn1nc(C([O-])=C(C#N)C(=O)NCc2ccc(F)c(F)c2)c(=O)c2ccccc21 ZINC000786563455 1080691500 /nfs/dbraw/zinc/69/15/00/1080691500.db2.gz IAMRBCPWVGVWRG-CQSZACIVSA-N -1 3 410.380 2.333 20 30 HEEDHM COC[C@@H]1CCCCN(C(=O)[C@@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000768665848 1080706447 /nfs/dbraw/zinc/70/64/47/1080706447.db2.gz YTRHMWZNGOWADJ-SJLPKXTDSA-N -1 3 421.563 2.415 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1O ZINC000769359826 1081053642 /nfs/dbraw/zinc/05/36/42/1081053642.db2.gz HMDHVDPUOYPZEB-MRXNPFEDSA-N -1 3 401.488 2.162 20 30 HEEDHM Cc1cnn(CCCCCOC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000745495404 1078510472 /nfs/dbraw/zinc/51/04/72/1078510472.db2.gz GOZSCRQBTHSQIC-MRXNPFEDSA-N -1 3 418.519 2.422 20 30 HEEDHM C[C@H](CC(=O)OCc1cn2ccccc2c1C#N)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496030 1078510649 /nfs/dbraw/zinc/51/06/49/1078510649.db2.gz KXUWGANQPFGWJX-CQSZACIVSA-N -1 3 422.466 2.371 20 30 HEEDHM C[C@H](CC(=O)O[C@@H](C)c1nc(C(C)(C)C)no1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498589 1078514878 /nfs/dbraw/zinc/51/48/78/1078514878.db2.gz YGDUAIWQKCLVBD-NEPJUHHUSA-N -1 3 420.491 2.489 20 30 HEEDHM Cc1cccn2cc(COC(=O)C[C@@H](C)/N=C3/[N-]S(=O)(=O)c4ccccc43)nc12 ZINC000745496829 1078511882 /nfs/dbraw/zinc/51/18/82/1078511882.db2.gz OBKAJWCTOAIZBE-CQSZACIVSA-N -1 3 412.471 2.203 20 30 HEEDHM C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745496449 1078512925 /nfs/dbraw/zinc/51/29/25/1078512925.db2.gz MVRIGWPXQYHCJM-KGLIPLIRSA-N -1 3 415.471 2.074 20 30 HEEDHM Cc1nc2ccccc2nc1COC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745498170 1078513391 /nfs/dbraw/zinc/51/33/91/1078513391.db2.gz YYKMPJMEMCFNOW-CYBMUJFWSA-N -1 3 424.482 2.499 20 30 HEEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nccn2c(Br)cnc12 ZINC000770098033 1078722542 /nfs/dbraw/zinc/72/25/42/1078722542.db2.gz BKTWSCNQNLYVLQ-SNVBAGLBSA-N -1 3 414.219 2.462 20 30 HEEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)nc1I ZINC000770362750 1078830805 /nfs/dbraw/zinc/83/08/05/1078830805.db2.gz WKGIRHUUAGHMKF-VIFPVBQESA-N -1 3 422.182 2.051 20 30 HEEDHM Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c([O-])c1O ZINC000770486700 1078877787 /nfs/dbraw/zinc/87/77/87/1078877787.db2.gz VFRJRZXYWWFKBY-LTGZKZEYSA-N -1 3 403.460 2.471 20 30 HEEDHM CCC1(CC)[C@H](NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)[C@H](C)[C@@H]1OC ZINC000770885497 1079060354 /nfs/dbraw/zinc/06/03/54/1079060354.db2.gz NUEZHCKSYGOIEL-QAMTZSDWSA-N -1 3 421.563 2.460 20 30 HEEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)c(Cl)c2)ccc1C#N ZINC000766547107 1079087565 /nfs/dbraw/zinc/08/75/65/1079087565.db2.gz JOGHGOOKNRUZSW-UHFFFAOYSA-N -1 3 404.879 2.257 20 30 HEEDHM COCc1cnc(NC(=O)[C@H](CC(C)C)/N=C2/[N-]S(=O)(=O)c3ccccc32)s1 ZINC000804305405 1079115967 /nfs/dbraw/zinc/11/59/67/1079115967.db2.gz OBHNRQXFKUKRRL-AWEZNQCLSA-N -1 3 422.532 2.381 20 30 HEEDHM CC(C)C[C@H](N=C1[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000766691821 1079282019 /nfs/dbraw/zinc/28/20/19/1079282019.db2.gz MACSOPLYCQOSJQ-CVEARBPZSA-N -1 3 415.519 2.057 20 30 HEEDHM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1=NN(CC(C)C)C(=O)CC1 ZINC000766847023 1079445745 /nfs/dbraw/zinc/44/57/45/1079445745.db2.gz WQWZTOWHCBAANM-CQSZACIVSA-N -1 3 414.462 2.334 20 30 HEEDHM C#CCSCCNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000771680941 1079465139 /nfs/dbraw/zinc/46/51/39/1079465139.db2.gz CRMCVPOMAVFSEU-UHFFFAOYSA-N -1 3 412.252 2.229 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](O)c2cccc(F)c2)ccc1F ZINC000771738435 1079472734 /nfs/dbraw/zinc/47/27/34/1079472734.db2.gz PHXATUSBQCLCCR-XIKOKIGWSA-N -1 3 410.442 2.281 20 30 HEEDHM CC(C)C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NCc1ccn(C(C)C)n1 ZINC000737957751 1075947541 /nfs/dbraw/zinc/94/75/41/1075947541.db2.gz SNMSNIILRIEJJQ-QGZVFWFLSA-N -1 3 417.535 2.234 20 30 HEEDHM CCN(CC)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000739935186 1076094660 /nfs/dbraw/zinc/09/46/60/1076094660.db2.gz YBCDWGSJSZDCSX-GOSISDBHSA-N -1 3 403.479 2.455 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(CC)CC1 ZINC000742131621 1076749993 /nfs/dbraw/zinc/74/99/93/1076749993.db2.gz YKAYKKBXHOALEP-INIZCTEOSA-N -1 3 407.536 2.047 20 30 HEEDHM COc1ccc(OC)c(NC(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC000742470303 1076842542 /nfs/dbraw/zinc/84/25/42/1076842542.db2.gz SLUZHRDHAUXHSK-LBPRGKRZSA-N -1 3 403.460 2.160 20 30 HEEDHM C[C@H](CC(=O)Nc1cccc(-c2nnco2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742528062 1076847900 /nfs/dbraw/zinc/84/79/00/1076847900.db2.gz OYRCEPNUXCEHBI-GFCCVEGCSA-N -1 3 411.443 2.192 20 30 HEEDHM C[C@@H](CC(=O)NCc1ccc2ccccc2n1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742539825 1076849772 /nfs/dbraw/zinc/84/97/72/1076849772.db2.gz DMVKKHNBNYTTFX-AWEZNQCLSA-N -1 3 408.483 2.368 20 30 HEEDHM CC(=O)Nc1cc(NC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)ccc1C ZINC000742547901 1076850808 /nfs/dbraw/zinc/85/08/08/1076850808.db2.gz UXGRFTIKBMVWMC-CYBMUJFWSA-N -1 3 414.487 2.409 20 30 HEEDHM Cc1c(NC(=O)C[C@H](C)N=C2[N-]S(=O)(=O)c3ccccc32)n[nH]c1C(F)(F)F ZINC000742594789 1076854487 /nfs/dbraw/zinc/85/44/87/1076854487.db2.gz DPJUKTPUFYWCDJ-QMMMGPOBSA-N -1 3 415.397 2.193 20 30 HEEDHM C[C@H](CC(=O)Nc1ccnn1[C@H](C)C1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742621272 1076857432 /nfs/dbraw/zinc/85/74/32/1076857432.db2.gz NDADVEIQIZKOCP-CHWSQXEVSA-N -1 3 401.492 2.310 20 30 HEEDHM C[C@H](CC(=O)N1CC[C@H](Nc2ccccc2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742630822 1076859255 /nfs/dbraw/zinc/85/92/55/1076859255.db2.gz SMIAEKXBXFTBOS-WBVHZDCISA-N -1 3 412.515 2.217 20 30 HEEDHM C[C@H](CC(=O)N1CC[C@@H](Nc2ccccc2)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742630820 1076859280 /nfs/dbraw/zinc/85/92/80/1076859280.db2.gz SMIAEKXBXFTBOS-NVXWUHKLSA-N -1 3 412.515 2.217 20 30 HEEDHM C[C@H](CC(=O)N[C@H]1CCc2ccc(F)cc21)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742641512 1076860694 /nfs/dbraw/zinc/86/06/94/1076860694.db2.gz CLRJZRVDCSHIJC-PXAZEXFGSA-N -1 3 401.463 2.447 20 30 HEEDHM C[C@@H](CC(=O)NCCCc1cccc(F)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742656821 1076861000 /nfs/dbraw/zinc/86/10/00/1076861000.db2.gz KAHROBYTSWHUBT-AWEZNQCLSA-N -1 3 403.479 2.392 20 30 HEEDHM CC(=O)NCc1ccc(C(=O)COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000742733885 1076871842 /nfs/dbraw/zinc/87/18/42/1076871842.db2.gz FMQATZSWMVYPMH-UHFFFAOYSA-N -1 3 415.471 2.332 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)Oc2ccccc2OC)ccc1F ZINC000742785012 1076878716 /nfs/dbraw/zinc/87/87/16/1076878716.db2.gz VGQWBUHAQNCQFN-AWEZNQCLSA-N -1 3 422.478 2.496 20 30 HEEDHM C[C@H](CC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742924087 1076898419 /nfs/dbraw/zinc/89/84/19/1076898419.db2.gz VCHIQDYDTGACON-NEPJUHHUSA-N -1 3 419.507 2.062 20 30 HEEDHM C[C@@H](CC(=O)N=c1sc2ccccc2n1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000743299760 1077022120 /nfs/dbraw/zinc/02/21/20/1077022120.db2.gz LCOQDXXCJPNVGO-LBPRGKRZSA-N -1 3 414.512 2.184 20 30 HEEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(OCC(=O)N(C)C)cc1 ZINC000743448335 1077051247 /nfs/dbraw/zinc/05/12/47/1077051247.db2.gz KNRBRVGHOYHBMN-UHFFFAOYSA-N -1 3 403.504 2.040 20 30 HEEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(C)=O)s2)cc1OC ZINC000743450246 1077051535 /nfs/dbraw/zinc/05/15/35/1077051535.db2.gz YUNKKQCTSUFSRV-CQSZACIVSA-N -1 3 401.444 2.363 20 30 HEEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCC2(C1)CCOCC2 ZINC000743783949 1077113305 /nfs/dbraw/zinc/11/33/05/1077113305.db2.gz MQDBLALJDOKIMF-KRWDZBQOSA-N -1 3 419.547 2.169 20 30 HEEDHM C[C@@H](CC(=O)OCc1cnn(-c2ccccc2)c1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744049893 1077307689 /nfs/dbraw/zinc/30/76/89/1077307689.db2.gz UPLRRHOFUKPVKF-HNNXBMFYSA-N -1 3 424.482 2.433 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCc1ncc(-c2ccccc2F)o1 ZINC000744494857 1077415492 /nfs/dbraw/zinc/41/54/92/1077415492.db2.gz IHCJZHMYXUSXLN-UHFFFAOYSA-N -1 3 415.402 2.263 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC[C@H](OC)C(C)(C)C ZINC000744698214 1077546993 /nfs/dbraw/zinc/54/69/93/1077546993.db2.gz PVWRZWWHFWOFBS-RDJZCZTQSA-N -1 3 409.552 2.461 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)ccc1F ZINC000744730556 1077558989 /nfs/dbraw/zinc/55/89/89/1077558989.db2.gz YWJGUKQVIMGTTF-QMTHXVAHSA-N -1 3 410.389 2.082 20 30 HEEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCc2noc(-c3cccs3)n2)ccc1F ZINC000745061433 1077722944 /nfs/dbraw/zinc/72/29/44/1077722944.db2.gz KSBZOCHWHTZHLY-UHFFFAOYSA-N -1 3 422.463 2.332 20 30 HEEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)NCCc1c[nH]c2cc(Cl)ccc12 ZINC000745146631 1077757411 /nfs/dbraw/zinc/75/74/11/1077757411.db2.gz MFXKOWNRRGVDKJ-UHFFFAOYSA-N -1 3 416.890 2.219 20 30 HEEDHM COCC[C@@H]1CCCCN(C(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000767299905 1079799685 /nfs/dbraw/zinc/79/96/85/1079799685.db2.gz YWYKNOAEIFYVAG-CVEARBPZSA-N -1 3 407.536 2.169 20 30 HEEDHM C[C@]1(CCc2ccccc2)NC(=O)N([N-]S(=O)(=O)CC2(C#N)CCCCC2)C1=O ZINC000767532313 1079924219 /nfs/dbraw/zinc/92/42/19/1079924219.db2.gz FQTPOMDEBPHFRJ-LJQANCHMSA-N -1 3 418.519 2.238 20 30 HEEDHM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]S(=O)(=O)CC2(C#N)CCCCC2)C1=O ZINC000767532312 1079924401 /nfs/dbraw/zinc/92/44/01/1079924401.db2.gz FQTPOMDEBPHFRJ-IBGZPJMESA-N -1 3 418.519 2.238 20 30 HEEDHM CC[C@]1(C)Oc2ccc(NC(=O)C/N=C3/[N-]S(=O)(=O)c4ccccc43)cc2O1 ZINC000785638831 1080151997 /nfs/dbraw/zinc/15/19/97/1080151997.db2.gz XVQIBBMSIHLFDJ-LJQANCHMSA-N -1 3 401.444 2.261 20 30 HEEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCO[C@](C)(CC)C1 ZINC000785673186 1080192009 /nfs/dbraw/zinc/19/20/09/1080192009.db2.gz GRCMESWIKUQEQJ-OXJNMPFZSA-N -1 3 407.536 2.311 20 30 HEEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OCc1cc(C)n(C)n1 ZINC000767986834 1080257930 /nfs/dbraw/zinc/25/79/30/1080257930.db2.gz CQPLTLWKXVYPCD-MRXNPFEDSA-N -1 3 404.492 2.069 20 30 HEEDHM Cc1cc(C(F)(F)F)ccc1CNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000786270379 1080519901 /nfs/dbraw/zinc/51/99/01/1080519901.db2.gz MAQVASKCXHKKDX-UHFFFAOYSA-N -1 3 411.405 2.369 20 30 HEEDHM CCCC[C@H](N=C1[N-]S(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000768373595 1080521750 /nfs/dbraw/zinc/52/17/50/1080521750.db2.gz BUTDSMGPSYRHLP-GUYCJALGSA-N -1 3 417.535 2.063 20 30 HEEDHM