smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1sc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)nc1-c1ccccc1 ZINC000737561560 598439029 /nfs/dbraw/zinc/43/90/29/598439029.db2.gz FUPCMPZUSQWIKK-UHFFFAOYSA-N 0 2 399.461 2.494 20 10 GECDLN O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823589060 606362465 /nfs/dbraw/zinc/36/24/65/606362465.db2.gz KPQHYVKDOXRGJU-UHFFFAOYSA-N 0 2 385.434 2.186 20 10 GECDLN Cn1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1C(N)=O ZINC000124525173 643687236 /nfs/dbraw/zinc/68/72/36/643687236.db2.gz UILVDIKGBOPOPJ-UHFFFAOYSA-N 0 2 380.426 2.187 20 10 GECDLN Cn1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)n2)cn1 ZINC000743049213 652011353 /nfs/dbraw/zinc/01/13/53/652011353.db2.gz CJPNKDVZADBLNU-UHFFFAOYSA-N 0 2 376.419 2.015 20 10 GECDLN COC(=O)c1csc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c1 ZINC000743049172 652011446 /nfs/dbraw/zinc/01/14/46/652011446.db2.gz AEAXHWZZTYCHKM-UHFFFAOYSA-N 0 2 384.464 2.193 20 10 GECDLN O=C(OC[C@@H]1CCOC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000785408493 653708673 /nfs/dbraw/zinc/70/86/73/653708673.db2.gz USBPJGWVSZXFQO-LLVKDONJSA-N 0 2 383.447 2.448 20 10 GECDLN Oc1c(Br)cc(Cl)cc1CN1CCN(c2nccnn2)CC1 ZINC000895388722 653831776 /nfs/dbraw/zinc/83/17/76/653831776.db2.gz KLCIDSPFAIBRLT-UHFFFAOYSA-N 0 2 384.665 2.315 20 10 GECDLN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2sc(C)nc2C)cc1 ZINC000267504734 532744073 /nfs/dbraw/zinc/74/40/73/532744073.db2.gz MVUIJFLWMYXLCT-UHFFFAOYSA-N 0 2 375.497 2.322 20 10 GECDLN COc1c(NS(=O)(=O)c2cccc3nsnc32)cc(Cl)cc1C(N)=O ZINC000556352179 532810359 /nfs/dbraw/zinc/81/03/59/532810359.db2.gz MNCCSPBFINBXSC-UHFFFAOYSA-N 0 2 398.853 2.253 20 10 GECDLN CC(C)[C@@H](CO)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000272227621 532813549 /nfs/dbraw/zinc/81/35/49/532813549.db2.gz VDIFBLQAKCKTIF-CYBMUJFWSA-N 0 2 384.479 2.001 20 10 GECDLN Cc1ccc2nc(C[N@H+](CC(=O)[O-])Cc3cc(Cl)ccc3O)cc(=O)n2c1 ZINC000738675759 600144390 /nfs/dbraw/zinc/14/43/90/600144390.db2.gz QQLQYUMYRHANCL-UHFFFAOYSA-N 0 2 387.823 2.449 20 10 GECDLN Cc1ccc2nc(C[N@@H+](CC(=O)[O-])Cc3cc(Cl)ccc3O)cc(=O)n2c1 ZINC000738675759 600144393 /nfs/dbraw/zinc/14/43/93/600144393.db2.gz QQLQYUMYRHANCL-UHFFFAOYSA-N 0 2 387.823 2.449 20 10 GECDLN Cc1ccc(-c2csc(NS(=O)(=O)c3cc(C(N)=O)n(C)c3)n2)cc1 ZINC000124524922 643687297 /nfs/dbraw/zinc/68/72/97/643687297.db2.gz QUDRQIAKNZVWQN-UHFFFAOYSA-N 0 2 376.463 2.357 20 10 GECDLN COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c1 ZINC000743050014 652011422 /nfs/dbraw/zinc/01/14/22/652011422.db2.gz NFLLJZBYCNYNQY-UHFFFAOYSA-N 0 2 380.451 2.362 20 10 GECDLN Cn1cc(-c2csc(NS(=O)(=O)c3cccc4c3COC4=O)n2)cn1 ZINC000743049609 652011538 /nfs/dbraw/zinc/01/15/38/652011538.db2.gz KBMCMEMJIXHLIO-UHFFFAOYSA-N 0 2 376.419 2.015 20 10 GECDLN CCN(CC)S(=O)(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000768217450 653105713 /nfs/dbraw/zinc/10/57/13/653105713.db2.gz PXGPAIIIIPAIGX-UHFFFAOYSA-N 0 2 396.340 2.403 20 10 GECDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(C(=O)OC)s1 ZINC000776747426 653375667 /nfs/dbraw/zinc/37/56/67/653375667.db2.gz DKOPENOYCGIPBA-UHFFFAOYSA-N 0 2 385.419 2.136 20 10 GECDLN CCO[N-]C(=O)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000846092520 653887017 /nfs/dbraw/zinc/88/70/17/653887017.db2.gz FDYQFIOPOCORBM-UHFFFAOYSA-N 0 2 382.052 2.075 20 10 GECDLN CC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(O)c(F)c3F)cc2C1 ZINC000849309810 654011826 /nfs/dbraw/zinc/01/18/26/654011826.db2.gz MZBVGJWTMOQQQH-UHFFFAOYSA-N 0 2 388.417 2.437 20 10 GECDLN COCCN1C(=O)C2(CC2)N[C@H]1c1cc(Cl)cc(Br)c1O ZINC000887329901 654031348 /nfs/dbraw/zinc/03/13/48/654031348.db2.gz RWHPFXBSPFVPGJ-GFCCVEGCSA-N 0 2 375.650 2.418 20 10 GECDLN Cn1cc(-c2csc(NS(=O)(=O)c3cccc4nsnc43)n2)cn1 ZINC000799184559 654087571 /nfs/dbraw/zinc/08/75/71/654087571.db2.gz RIHBPMKRXCPYOX-UHFFFAOYSA-N 0 2 378.464 2.349 20 10 GECDLN O=C(c1cc(NS(=O)(=O)c2cccs2)ccc1O)N1CCCOCC1 ZINC000378047301 532677713 /nfs/dbraw/zinc/67/77/13/532677713.db2.gz VZTNMWUMZGCOHS-UHFFFAOYSA-N 0 2 382.463 2.117 20 10 GECDLN COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cs1 ZINC000743049621 652011405 /nfs/dbraw/zinc/01/14/05/652011405.db2.gz KIVAREQRVFOKBV-UHFFFAOYSA-N 0 2 384.464 2.193 20 10 GECDLN CSc1cc(O)ccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1F ZINC000792702152 653850217 /nfs/dbraw/zinc/85/02/17/653850217.db2.gz NWDMBXNVMMKTPJ-UHFFFAOYSA-N 0 2 391.467 2.458 20 10 GECDLN COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(C)nc3)n2)c[nH]1 ZINC000800925919 654167872 /nfs/dbraw/zinc/16/78/72/654167872.db2.gz IOICJDRQMYTHAV-UHFFFAOYSA-N 0 2 378.435 2.429 20 10 GECDLN CS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c1 ZINC000906481301 654442706 /nfs/dbraw/zinc/44/27/06/654442706.db2.gz XVPFMKKJLUFJBJ-UHFFFAOYSA-N 0 2 395.487 2.409 20 10 GECDLN CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000055618457 531796572 /nfs/dbraw/zinc/79/65/72/531796572.db2.gz NFHHHVPBNBNQCI-UHFFFAOYSA-N 0 2 376.463 2.123 20 10 GECDLN CN(C)C(=O)c1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1F ZINC000192725261 532407532 /nfs/dbraw/zinc/40/75/32/532407532.db2.gz OHTGQACLTPLMNV-UHFFFAOYSA-N 0 2 380.426 2.333 20 10 GECDLN COC[C@H]1CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000294448803 532939454 /nfs/dbraw/zinc/93/94/54/532939454.db2.gz UCJZIKHJBOIJAV-GFCCVEGCSA-N 0 2 382.463 2.115 20 10 GECDLN COC[C@@H]1CCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000294448807 532939472 /nfs/dbraw/zinc/93/94/72/532939472.db2.gz UCJZIKHJBOIJAV-LBPRGKRZSA-N 0 2 382.463 2.115 20 10 GECDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000775286057 653307999 /nfs/dbraw/zinc/30/79/99/653307999.db2.gz ARPFOOJOSDMGHA-UHFFFAOYSA-N 0 2 376.312 2.393 20 10 GECDLN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000790409311 653791110 /nfs/dbraw/zinc/79/11/10/653791110.db2.gz NLPDMBJUMLINGM-UHFFFAOYSA-N 0 2 389.426 2.134 20 10 GECDLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ncc(I)s1 ZINC000794706531 653917209 /nfs/dbraw/zinc/91/72/09/653917209.db2.gz GGAYSWGQJMJGRP-TWGQIWQCSA-N 0 2 397.197 2.209 20 10 GECDLN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1 ZINC000797429916 654031276 /nfs/dbraw/zinc/03/12/76/654031276.db2.gz FXBLHSMWFJTJKN-UHFFFAOYSA-N 0 2 392.890 2.026 20 10 GECDLN CN1C(=O)C2(CCOCC2)N[C@@H]1c1cc(Cl)cc(Br)c1O ZINC000887332888 654031196 /nfs/dbraw/zinc/03/11/96/654031196.db2.gz PIPZBZBFPGCLIW-LBPRGKRZSA-N 0 2 375.650 2.418 20 10 GECDLN COC(=O)CCCN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=S ZINC000040885136 531661923 /nfs/dbraw/zinc/66/19/23/531661923.db2.gz VBRWYKQPOBLFTO-WQLSENKSSA-N 0 2 382.419 2.455 20 10 GECDLN O=C(N[C@H]1CCCOC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267507628 532743105 /nfs/dbraw/zinc/74/31/05/532743105.db2.gz KYFXKLXPHHQDAF-LBPRGKRZSA-N 0 2 382.463 2.163 20 10 GECDLN C[C@H](CO)[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000270358011 532796185 /nfs/dbraw/zinc/79/61/85/532796185.db2.gz QYFGHEAYSDIADO-MNOVXSKESA-N 0 2 384.479 2.001 20 10 GECDLN CC(C)(O)CCNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000274843018 532858029 /nfs/dbraw/zinc/85/80/29/532858029.db2.gz MZOLLICNTUGDOH-UHFFFAOYSA-N 0 2 384.479 2.145 20 10 GECDLN CO[C@H](C)[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000292426162 532916329 /nfs/dbraw/zinc/91/63/29/532916329.db2.gz CPYJCJKZTRBIKF-GHMZBOCLSA-N 0 2 384.479 2.408 20 10 GECDLN Cn1ccnc1C[N@@H+]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000739055847 600214360 /nfs/dbraw/zinc/21/43/60/600214360.db2.gz MVVGWQGCKVZINE-XQRVVYSFSA-N 0 2 385.424 2.138 20 10 GECDLN Cn1ccnc1C[N@H+]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000739055847 600214361 /nfs/dbraw/zinc/21/43/61/600214361.db2.gz MVVGWQGCKVZINE-XQRVVYSFSA-N 0 2 385.424 2.138 20 10 GECDLN CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccnn3C)n2)cc1 ZINC000727242628 651516445 /nfs/dbraw/zinc/51/64/45/651516445.db2.gz FNFPCGJDBFYVHB-UHFFFAOYSA-N 0 2 377.451 2.303 20 10 GECDLN COCCOCCOCCS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000753014063 652397774 /nfs/dbraw/zinc/39/77/74/652397774.db2.gz DYNXVNYYJVNGQF-UHFFFAOYSA-N 0 2 388.269 2.120 20 10 GECDLN O=C(C[N@H+]1CCCN(Cc2c(O)cccc2Br)CC1)N1CCCC1 ZINC000862217791 653679962 /nfs/dbraw/zinc/67/99/62/653679962.db2.gz SJLKNAUWUIHCQL-UHFFFAOYSA-N 0 2 396.329 2.285 20 10 GECDLN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(C)s2)cc1 ZINC000797431902 654031590 /nfs/dbraw/zinc/03/15/90/654031590.db2.gz BGGQFTYPDRVXMJ-UHFFFAOYSA-N 0 2 375.497 2.042 20 10 GECDLN O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cnn([C@H]2CCOC2)c1 ZINC000155909353 531705182 /nfs/dbraw/zinc/70/51/82/531705182.db2.gz KJKHDOKVMRDHSL-LBPRGKRZSA-N 0 2 377.451 2.164 20 10 GECDLN CCOC1CN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 ZINC000294995940 532395816 /nfs/dbraw/zinc/39/58/16/532395816.db2.gz UVOOZMRAHORMKA-UHFFFAOYSA-N 0 2 382.463 2.115 20 10 GECDLN O=C(N[C@@H]1CCCOC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267507626 532743402 /nfs/dbraw/zinc/74/34/02/532743402.db2.gz KYFXKLXPHHQDAF-GFCCVEGCSA-N 0 2 382.463 2.163 20 10 GECDLN CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1 ZINC000288569491 532831868 /nfs/dbraw/zinc/83/18/68/532831868.db2.gz QSJMXCRQECYXOI-UHFFFAOYSA-N 0 2 386.499 2.071 20 10 GECDLN O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738340491 598438999 /nfs/dbraw/zinc/43/89/99/598438999.db2.gz VONCOUJMMQUNSL-UHFFFAOYSA-N 0 2 391.463 2.248 20 10 GECDLN O=C1NCCc2ccc(S(=O)(=O)Nc3nc(-c4ccco4)cs3)cc21 ZINC000116600082 643466431 /nfs/dbraw/zinc/46/64/31/643466431.db2.gz UOJSSGWHEDREFN-UHFFFAOYSA-N 0 2 375.431 2.490 20 10 GECDLN CON(C)C(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000729247515 651564758 /nfs/dbraw/zinc/56/47/58/651564758.db2.gz SAPBTUFAEBNCRW-UHFFFAOYSA-N 0 2 378.435 2.126 20 10 GECDLN COC(=O)c1nscc1S(=O)(=O)Nc1nc(-c2ccccn2)cs1 ZINC000755738097 652474205 /nfs/dbraw/zinc/47/42/05/652474205.db2.gz WTNVMILWUSZGHP-UHFFFAOYSA-N 0 2 382.448 2.249 20 10 GECDLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cn1 ZINC000769667729 653169684 /nfs/dbraw/zinc/16/96/84/653169684.db2.gz RTHGUCKQVOSSFL-UHFFFAOYSA-N 0 2 376.419 2.188 20 10 GECDLN O=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C(F)F ZINC000800216698 654137656 /nfs/dbraw/zinc/13/76/56/654137656.db2.gz CGAYLMVJURHBFM-UHFFFAOYSA-N 0 2 391.373 2.246 20 10 GECDLN Cn1cc(-c2csc(NS(=O)(=O)c3c(C(F)(F)F)cnn3C)n2)cn1 ZINC000872003468 654309528 /nfs/dbraw/zinc/30/95/28/654309528.db2.gz SSGPSZGNDYISRX-UHFFFAOYSA-N 0 2 392.388 2.097 20 10 GECDLN CC(=O)NC[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCO1 ZINC000894031147 654440709 /nfs/dbraw/zinc/44/07/09/654440709.db2.gz QBOXPMIMGLVUCM-GFCCVEGCSA-N 0 2 377.666 2.145 20 10 GECDLN Cc1sc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)nc1-c1ccccc1 ZINC000913073372 654781230 /nfs/dbraw/zinc/78/12/30/654781230.db2.gz ZUXVWBQIJNHCIT-UHFFFAOYSA-N 0 2 376.463 2.357 20 10 GECDLN O=C(NC[C@H]1CCOC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267483060 532742148 /nfs/dbraw/zinc/74/21/48/532742148.db2.gz CUSJIYRSXOKLFG-LLVKDONJSA-N 0 2 382.463 2.021 20 10 GECDLN C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@H]1C(=O)[O-] ZINC000828441793 601515749 /nfs/dbraw/zinc/51/57/49/601515749.db2.gz TTXLRPZZLQTQHI-KZULUSFZSA-N 0 2 392.411 2.053 20 10 GECDLN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@H]1C(=O)[O-] ZINC000828441793 601515752 /nfs/dbraw/zinc/51/57/52/601515752.db2.gz TTXLRPZZLQTQHI-KZULUSFZSA-N 0 2 392.411 2.053 20 10 GECDLN Cc1nn(C)cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000808528360 653230912 /nfs/dbraw/zinc/23/09/12/653230912.db2.gz YSKOQDFZQADEKM-UHFFFAOYSA-N 0 2 378.435 2.382 20 10 GECDLN C[C@@H]1Oc2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2NC1=O ZINC000019080190 531577747 /nfs/dbraw/zinc/57/77/47/531577747.db2.gz AWPSIIZMYBYSCJ-QMMMGPOBSA-N 0 2 376.419 2.212 20 10 GECDLN C[C@@H](O)CCN(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000268819775 532772459 /nfs/dbraw/zinc/77/24/59/532772459.db2.gz IPCFHLUAAQFPIX-LLVKDONJSA-N 0 2 384.479 2.097 20 10 GECDLN CC(C)(NC(=O)[O-])c1noc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000738753926 602430857 /nfs/dbraw/zinc/43/08/57/602430857.db2.gz DOMRPQLXMYEKLV-AWEZNQCLSA-N 0 2 390.440 2.459 20 10 GECDLN CC(C)(NC(=O)[O-])c1noc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000738753926 602430859 /nfs/dbraw/zinc/43/08/59/602430859.db2.gz DOMRPQLXMYEKLV-AWEZNQCLSA-N 0 2 390.440 2.459 20 10 GECDLN Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000524381359 650640822 /nfs/dbraw/zinc/64/08/22/650640822.db2.gz HYRXYKUNJGSYGQ-UHFFFAOYSA-N 0 2 383.476 2.204 20 10 GECDLN COC(=O)C1=NO[C@]2(CCN(Cc3cc(C)cc(Br)c3O)C2)C1 ZINC000877714070 653617390 /nfs/dbraw/zinc/61/73/90/653617390.db2.gz LDGDOGFEMNJLKS-MRXNPFEDSA-N 0 2 383.242 2.357 20 10 GECDLN COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cc(C)cc(Br)c3[O-])C2)C1 ZINC000877714070 653617391 /nfs/dbraw/zinc/61/73/91/653617391.db2.gz LDGDOGFEMNJLKS-MRXNPFEDSA-N 0 2 383.242 2.357 20 10 GECDLN COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)C1 ZINC000877714070 653617396 /nfs/dbraw/zinc/61/73/96/653617396.db2.gz LDGDOGFEMNJLKS-MRXNPFEDSA-N 0 2 383.242 2.357 20 10 GECDLN CNC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cn1C ZINC000914790355 654857590 /nfs/dbraw/zinc/85/75/90/654857590.db2.gz SWOKPFZGSHVINQ-UHFFFAOYSA-N 0 2 376.463 2.309 20 10 GECDLN C[C@H]1Oc2ccc(NS(=O)(=O)c3cccc4nsnc43)cc2NC1=O ZINC000019080194 531576782 /nfs/dbraw/zinc/57/67/82/531576782.db2.gz AWPSIIZMYBYSCJ-MRVPVSSYSA-N 0 2 376.419 2.212 20 10 GECDLN COc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1NC(C)=O ZINC000055955483 531799501 /nfs/dbraw/zinc/79/95/01/531799501.db2.gz XSFFZNYEIMGLOX-UHFFFAOYSA-N 0 2 378.435 2.459 20 10 GECDLN CS(=O)(=O)Cc1ccccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000058497612 531832699 /nfs/dbraw/zinc/83/26/99/531832699.db2.gz GCDZZGCYPKAWMQ-UHFFFAOYSA-N 0 2 383.476 2.037 20 10 GECDLN C[C@@H](CO)[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000270358013 532796153 /nfs/dbraw/zinc/79/61/53/532796153.db2.gz QYFGHEAYSDIADO-QWRGUYRKSA-N 0 2 384.479 2.001 20 10 GECDLN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000737225945 599029884 /nfs/dbraw/zinc/02/98/84/599029884.db2.gz LREVEHAIMQOJFG-UHFFFAOYSA-N 0 2 399.461 2.494 20 10 GECDLN C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000736570792 600374551 /nfs/dbraw/zinc/37/45/51/600374551.db2.gz GZUYBEYPWRQBCD-QWHCGFSZSA-N 0 2 394.427 2.442 20 10 GECDLN C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000736570792 600374553 /nfs/dbraw/zinc/37/45/53/600374553.db2.gz GZUYBEYPWRQBCD-QWHCGFSZSA-N 0 2 394.427 2.442 20 10 GECDLN C[C@@H](C[N@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736573819 600376139 /nfs/dbraw/zinc/37/61/39/600376139.db2.gz WGDTYNOQIMGNNA-LBPRGKRZSA-N 0 2 380.400 2.053 20 10 GECDLN C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736573819 600376141 /nfs/dbraw/zinc/37/61/41/600376141.db2.gz WGDTYNOQIMGNNA-LBPRGKRZSA-N 0 2 380.400 2.053 20 10 GECDLN C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@@H]1C(=O)[O-] ZINC000828441796 601516008 /nfs/dbraw/zinc/51/60/08/601516008.db2.gz TTXLRPZZLQTQHI-SGTLLEGYSA-N 0 2 392.411 2.053 20 10 GECDLN C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@@H]1C(=O)[O-] ZINC000828441796 601516009 /nfs/dbraw/zinc/51/60/09/601516009.db2.gz TTXLRPZZLQTQHI-SGTLLEGYSA-N 0 2 392.411 2.053 20 10 GECDLN CCn1cc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cn1 ZINC000066250730 642904884 /nfs/dbraw/zinc/90/48/84/642904884.db2.gz LESCAKYWOTWCOF-UHFFFAOYSA-N 0 2 376.463 2.762 20 10 GECDLN Cc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1S(C)(=O)=O ZINC000536196658 650798053 /nfs/dbraw/zinc/79/80/53/650798053.db2.gz FKNNRLRGYXNJDF-UHFFFAOYSA-N 0 2 383.476 2.204 20 10 GECDLN O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(-n2cnnn2)c1 ZINC000120436646 643607305 /nfs/dbraw/zinc/60/73/05/643607305.db2.gz QIRWRBYWBBFDKZ-UHFFFAOYSA-N 0 2 386.220 2.476 20 10 GECDLN CN1Cc2cc(NS(=O)(=O)c3cccc4nsnc43)ccc2NC1=O ZINC000547499338 651028472 /nfs/dbraw/zinc/02/84/72/651028472.db2.gz WPTUOVDHYYYVAL-UHFFFAOYSA-N 0 2 375.435 2.469 20 10 GECDLN NC(=O)CCSc1ccccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000609152274 651611106 /nfs/dbraw/zinc/61/11/06/651611106.db2.gz STUGUSBWHCRIAR-UHFFFAOYSA-N 0 2 394.503 2.460 20 10 GECDLN Cc1nn(C)c(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c1C(F)F ZINC000840949322 653703293 /nfs/dbraw/zinc/70/32/93/653703293.db2.gz VQARMYLGVMQRIY-UHFFFAOYSA-N 0 2 388.425 2.324 20 10 GECDLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cn1 ZINC000795610406 653960753 /nfs/dbraw/zinc/96/07/53/653960753.db2.gz NDFLRILXDBVNBO-UHFFFAOYSA-N 0 2 395.487 2.409 20 10 GECDLN COc1cc2c(cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1)OCC(=O)N2 ZINC000797432232 654031551 /nfs/dbraw/zinc/03/15/51/654031551.db2.gz TVMPQZDKTOXIFP-UHFFFAOYSA-N 0 2 384.797 2.186 20 10 GECDLN CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000917898120 654137650 /nfs/dbraw/zinc/13/76/50/654137650.db2.gz PKODAHSLRYVFOO-UHFFFAOYSA-N 0 2 399.475 2.112 20 10 GECDLN Cn1c2ccccc2sc1=NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000919811786 654192818 /nfs/dbraw/zinc/19/28/18/654192818.db2.gz SXMLOHBMAHGCFM-UHFFFAOYSA-N 0 2 377.447 2.058 20 10 GECDLN CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894426455 654474848 /nfs/dbraw/zinc/47/48/48/654474848.db2.gz AWVDTYLFTGBWJV-NSHDSACASA-N 0 2 397.722 2.322 20 10 GECDLN CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894426455 654474851 /nfs/dbraw/zinc/47/48/51/654474851.db2.gz AWVDTYLFTGBWJV-NSHDSACASA-N 0 2 397.722 2.322 20 10 GECDLN Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cccc2nsnc21 ZINC000019095875 531576945 /nfs/dbraw/zinc/57/69/45/531576945.db2.gz HQJJOBRKCFROAR-UHFFFAOYSA-N 0 2 383.476 2.204 20 10 GECDLN CO[C@H](C)CCNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267508474 532743365 /nfs/dbraw/zinc/74/33/65/532743365.db2.gz LATKSUCRHUMSSX-LLVKDONJSA-N 0 2 384.479 2.409 20 10 GECDLN C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000736570658 600371699 /nfs/dbraw/zinc/37/16/99/600371699.db2.gz DUTNFYCRBLXOGT-QWHCGFSZSA-N 0 2 394.427 2.442 20 10 GECDLN C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000736570658 600371703 /nfs/dbraw/zinc/37/17/03/600371703.db2.gz DUTNFYCRBLXOGT-QWHCGFSZSA-N 0 2 394.427 2.442 20 10 GECDLN NC(=O)CSc1ccccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000019105866 642397459 /nfs/dbraw/zinc/39/74/59/642397459.db2.gz VALMVTPGJARONU-UHFFFAOYSA-N 0 2 380.476 2.070 20 10 GECDLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 ZINC000111995310 643351476 /nfs/dbraw/zinc/35/14/76/643351476.db2.gz ILBGEJHZAFNPQE-UHFFFAOYSA-N 0 2 380.491 2.491 20 10 GECDLN O=S1(=O)CC[C@@H](N2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)C1 ZINC000120414115 643606078 /nfs/dbraw/zinc/60/60/78/643606078.db2.gz RAVRAAURVYVGPD-CYBMUJFWSA-N 0 2 379.309 2.004 20 10 GECDLN Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000610237900 651650715 /nfs/dbraw/zinc/65/07/15/651650715.db2.gz RXEYUSGMJBMNIM-UHFFFAOYSA-N 0 2 398.491 2.172 20 10 GECDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C)c(C(=O)OC)s1 ZINC000740701161 651920358 /nfs/dbraw/zinc/92/03/58/651920358.db2.gz WFBOCAGCVUVUQX-UHFFFAOYSA-N 0 2 385.419 2.136 20 10 GECDLN Cc1sc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000767452730 652926578 /nfs/dbraw/zinc/92/65/78/652926578.db2.gz BFOVZRIXPGZJPM-UHFFFAOYSA-N 0 2 391.452 2.137 20 10 GECDLN CCOc1ccncc1S(=O)(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000840911799 653700599 /nfs/dbraw/zinc/70/05/99/653700599.db2.gz RJIURXKJEFMWKB-UHFFFAOYSA-N 0 2 385.467 2.043 20 10 GECDLN CCc1cc(O)ccc1NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000790417172 653791298 /nfs/dbraw/zinc/79/12/98/653791298.db2.gz JRBJFYCQODMHHO-UHFFFAOYSA-N 0 2 384.479 2.006 20 10 GECDLN CN1C(=O)C2(CCOCC2)N[C@H]1c1cc(Cl)cc(Br)c1O ZINC000887332887 654031360 /nfs/dbraw/zinc/03/13/60/654031360.db2.gz PIPZBZBFPGCLIW-GFCCVEGCSA-N 0 2 375.650 2.418 20 10 GECDLN CC[C@H](COC)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267511308 532743249 /nfs/dbraw/zinc/74/32/49/532743249.db2.gz LYHAULJEIAUQAZ-LLVKDONJSA-N 0 2 384.479 2.409 20 10 GECDLN O=C([O-])N[C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCc1ccccc1O ZINC000740691560 602546893 /nfs/dbraw/zinc/54/68/93/602546893.db2.gz MFJVIUZDIYKJIH-SFHVURJKSA-N 0 2 394.431 2.132 20 10 GECDLN Cn1cc(-c2csc(NS(=O)(=O)c3cc(C(F)(F)F)nn3C)n2)cn1 ZINC000530152243 650716248 /nfs/dbraw/zinc/71/62/48/650716248.db2.gz CEXMDTHERXOPJN-UHFFFAOYSA-N 0 2 392.388 2.097 20 10 GECDLN COCC(=O)Nc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000028252220 642448987 /nfs/dbraw/zinc/44/89/87/642448987.db2.gz UWNBUHAPJYMFEV-UHFFFAOYSA-N 0 2 378.435 2.077 20 10 GECDLN COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccnn3C)n2)c1 ZINC000727246631 651516396 /nfs/dbraw/zinc/51/63/96/651516396.db2.gz NQKHEWVXUOOUDS-UHFFFAOYSA-N 0 2 380.451 2.362 20 10 GECDLN Cn1nccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000727243865 651516456 /nfs/dbraw/zinc/51/64/56/651516456.db2.gz GUVCAFRDKPESQV-UHFFFAOYSA-N 0 2 378.435 2.116 20 10 GECDLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)s1 ZINC000743049501 652011321 /nfs/dbraw/zinc/01/13/21/652011321.db2.gz HLSWTJUPDILHPU-UHFFFAOYSA-N 0 2 384.464 2.193 20 10 GECDLN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2sc(C)cc2C)cc1 ZINC000814211580 653625065 /nfs/dbraw/zinc/62/50/65/653625065.db2.gz JEAMTLATOVBHNW-UHFFFAOYSA-N 0 2 375.497 2.042 20 10 GECDLN CCOc1ccc(-c2nc(NS(=O)(=O)c3cnnn3C)sc2C)cc1 ZINC000863433849 653712862 /nfs/dbraw/zinc/71/28/62/653712862.db2.gz KOKCIHOVNZRDOA-UHFFFAOYSA-N 0 2 379.467 2.447 20 10 GECDLN COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c1C ZINC000789727322 653780673 /nfs/dbraw/zinc/78/06/73/653780673.db2.gz LQXRJXQHPQTEAQ-UHFFFAOYSA-N 0 2 379.467 2.423 20 10 GECDLN Cc1cnn(C)c1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000795550343 653958274 /nfs/dbraw/zinc/95/82/74/653958274.db2.gz VCNWRIOLDCRGQV-UHFFFAOYSA-N 0 2 378.435 2.382 20 10 GECDLN O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cnn([C@@H]2CCOC2)c1 ZINC000155909220 531704554 /nfs/dbraw/zinc/70/45/54/531704554.db2.gz KJKHDOKVMRDHSL-GFCCVEGCSA-N 0 2 377.451 2.164 20 10 GECDLN C[C@H](O)C(C)(C)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000272752024 532817826 /nfs/dbraw/zinc/81/78/26/532817826.db2.gz DWRXJSACKRELAS-JTQLQIEISA-N 0 2 384.479 2.144 20 10 GECDLN COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cn1C ZINC000745994604 652092248 /nfs/dbraw/zinc/09/22/48/652092248.db2.gz JGROHMXCIXHGNO-UHFFFAOYSA-N 0 2 378.435 2.131 20 10 GECDLN O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(-n2cnnn2)cc1 ZINC000758164177 652532335 /nfs/dbraw/zinc/53/23/35/652532335.db2.gz VECGXLFQRBQDDD-UHFFFAOYSA-N 0 2 386.220 2.476 20 10 GECDLN COc1cc(OC)cc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c1 ZINC000767716635 652945439 /nfs/dbraw/zinc/94/54/39/652945439.db2.gz RQIDGXOKKQKHMC-UHFFFAOYSA-N 0 2 380.451 2.362 20 10 GECDLN O=C([O-])COCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000874042858 653253172 /nfs/dbraw/zinc/25/31/72/653253172.db2.gz LKNOOWNQJZDVEK-UHFFFAOYSA-N 0 2 383.036 2.108 20 10 GECDLN COCC[N@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1O ZINC000840995355 653704893 /nfs/dbraw/zinc/70/48/93/653704893.db2.gz IWIIBVCYPYQENT-UHFFFAOYSA-N 0 2 397.063 2.450 20 10 GECDLN COCC[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1O ZINC000840995355 653704895 /nfs/dbraw/zinc/70/48/95/653704895.db2.gz IWIIBVCYPYQENT-UHFFFAOYSA-N 0 2 397.063 2.450 20 10 GECDLN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ncc(I)s1 ZINC000794706458 653917224 /nfs/dbraw/zinc/91/72/24/653917224.db2.gz GGAYSWGQJMJGRP-RMKNXTFCSA-N 0 2 397.197 2.209 20 10 GECDLN CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000063886523 531864047 /nfs/dbraw/zinc/86/40/47/531864047.db2.gz PYMVRZSPBHYZNR-UHFFFAOYSA-N 0 2 383.476 2.037 20 10 GECDLN O=C(NCCCCCO)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000279262511 532392269 /nfs/dbraw/zinc/39/22/69/532392269.db2.gz UERMDVZJPKJPLN-UHFFFAOYSA-N 0 2 384.479 2.147 20 10 GECDLN CO[C@@H](C)[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000292426166 532916291 /nfs/dbraw/zinc/91/62/91/532916291.db2.gz CPYJCJKZTRBIKF-MNOVXSKESA-N 0 2 384.479 2.408 20 10 GECDLN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000737300890 598968478 /nfs/dbraw/zinc/96/84/78/598968478.db2.gz FLPCZKZILJLTSP-UHFFFAOYSA-N 0 2 399.461 2.494 20 10 GECDLN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000739793700 600316078 /nfs/dbraw/zinc/31/60/78/600316078.db2.gz NFDFCDSXCRFAQI-NSHDSACASA-N 0 2 380.750 2.095 20 10 GECDLN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000739793700 600316079 /nfs/dbraw/zinc/31/60/79/600316079.db2.gz NFDFCDSXCRFAQI-NSHDSACASA-N 0 2 380.750 2.095 20 10 GECDLN COc1ccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cc1OC ZINC000743046319 652011497 /nfs/dbraw/zinc/01/14/97/652011497.db2.gz AVSDKDKNIJBDDX-UHFFFAOYSA-N 0 2 380.451 2.362 20 10 GECDLN O=C(OCCC1(O)CC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000785407328 653708664 /nfs/dbraw/zinc/70/86/64/653708664.db2.gz HEYMFUIDOKALOE-UHFFFAOYSA-N 0 2 383.447 2.326 20 10 GECDLN CS(=O)(=O)c1cc(NS(=O)(=O)c2cccc3nonc32)ccc1Cl ZINC000788062664 653748670 /nfs/dbraw/zinc/74/86/70/653748670.db2.gz RFHLHWIMLAGWFJ-UHFFFAOYSA-N 0 2 387.826 2.081 20 10 GECDLN CNC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cn1C ZINC000914789839 654857520 /nfs/dbraw/zinc/85/75/20/654857520.db2.gz ZFEBQZBAYZPTEN-UHFFFAOYSA-N 0 2 382.492 2.371 20 10 GECDLN O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738337988 598438894 /nfs/dbraw/zinc/43/88/94/598438894.db2.gz BDGGFDIIMZABCD-UHFFFAOYSA-N 0 2 385.434 2.186 20 10 GECDLN O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1cccc(-c2nn[nH]n2)c1 ZINC000823589186 606362503 /nfs/dbraw/zinc/36/25/03/606362503.db2.gz RQIKNQRLYFZMNO-UHFFFAOYSA-N 0 2 385.434 2.186 20 10 GECDLN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)s1 ZINC000743050635 652011303 /nfs/dbraw/zinc/01/13/03/652011303.db2.gz XVJOAIXBJQLNCW-UHFFFAOYSA-N 0 2 398.495 2.068 20 10 GECDLN CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2Cl)ccc1O ZINC000790408250 653791146 /nfs/dbraw/zinc/79/11/46/653791146.db2.gz UXYFAGPZYKLNGH-UHFFFAOYSA-N 0 2 390.870 2.063 20 10 GECDLN CN(CC(C)(C)O)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267519060 532743964 /nfs/dbraw/zinc/74/39/64/532743964.db2.gz OWWMNFZMQCPZJJ-UHFFFAOYSA-N 0 2 384.479 2.097 20 10 GECDLN COC[C@H](C)CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267533824 532745239 /nfs/dbraw/zinc/74/52/39/532745239.db2.gz XEDWVYQZTLEBNY-LLVKDONJSA-N 0 2 384.479 2.267 20 10 GECDLN CC[C@](C)(O)CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267500839 532741659 /nfs/dbraw/zinc/74/16/59/532741659.db2.gz IOVYMAPNYREFQC-INIZCTEOSA-N 0 2 384.479 2.145 20 10 GECDLN O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000739793698 600315427 /nfs/dbraw/zinc/31/54/27/600315427.db2.gz NFDFCDSXCRFAQI-LLVKDONJSA-N 0 2 380.750 2.095 20 10 GECDLN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000739793698 600315430 /nfs/dbraw/zinc/31/54/30/600315430.db2.gz NFDFCDSXCRFAQI-LLVKDONJSA-N 0 2 380.750 2.095 20 10 GECDLN Cn1cc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1C(N)=O ZINC000124552814 643687838 /nfs/dbraw/zinc/68/78/38/643687838.db2.gz HPIQLCMVSQBRIB-UHFFFAOYSA-N 0 2 380.426 2.187 20 10 GECDLN CC(=O)Nc1sc(NS(=O)(=O)c2ccnn2C)nc1-c1ccccc1 ZINC000775207038 653304908 /nfs/dbraw/zinc/30/49/08/653304908.db2.gz GBXXXKACVXRNLR-UHFFFAOYSA-N 0 2 377.451 2.303 20 10 GECDLN O=c1[nH]c(C[NH2+]Cc2cc(Br)cc(F)c2[O-])nc2c1COCC2 ZINC000883200570 653832071 /nfs/dbraw/zinc/83/20/71/653832071.db2.gz MLWGXQRCPLHMMD-UHFFFAOYSA-N 0 2 384.205 2.152 20 10 GECDLN O=C(OCc1cn[nH]c1)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000803482930 654281496 /nfs/dbraw/zinc/28/14/96/654281496.db2.gz FNDIKERKBOQDEW-UHFFFAOYSA-N 0 2 379.419 2.335 20 10 GECDLN COC(=O)COc1cccc(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000024957784 531610030 /nfs/dbraw/zinc/61/00/30/531610030.db2.gz GSRFLCJUXCXMOM-UHFFFAOYSA-N 0 2 379.419 2.044 20 10 GECDLN C[C@H](O)CCN(C)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000268819776 532772394 /nfs/dbraw/zinc/77/23/94/532772394.db2.gz IPCFHLUAAQFPIX-NSHDSACASA-N 0 2 384.479 2.097 20 10 GECDLN C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@@H]1C(=O)[O-] ZINC000828441798 601515839 /nfs/dbraw/zinc/51/58/39/601515839.db2.gz TTXLRPZZLQTQHI-XIKOKIGWSA-N 0 2 392.411 2.053 20 10 GECDLN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@@H]1C(=O)[O-] ZINC000828441798 601515841 /nfs/dbraw/zinc/51/58/41/601515841.db2.gz TTXLRPZZLQTQHI-XIKOKIGWSA-N 0 2 392.411 2.053 20 10 GECDLN CN(C)c1ccc(CN(C(=O)C(C)(C)[NH+]2CCN(C(=O)[O-])CC2)C2CC2)cc1 ZINC000739617313 603165369 /nfs/dbraw/zinc/16/53/69/603165369.db2.gz HRSLKWPFQWWICQ-UHFFFAOYSA-N 0 2 388.512 2.318 20 10 GECDLN Cc1ccccc1-c1csc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC000127360524 643772889 /nfs/dbraw/zinc/77/28/89/643772889.db2.gz ACSWEFNIXHBAML-UHFFFAOYSA-N 0 2 376.463 2.357 20 10 GECDLN COc1ccc(-c2csc(NS(=O)(=O)c3ccnn3C)n2)cc1OC ZINC000727241990 651516288 /nfs/dbraw/zinc/51/62/88/651516288.db2.gz PWMFSJMLLXTSEE-UHFFFAOYSA-N 0 2 380.451 2.362 20 10 GECDLN CCNC(=O)C1CN(Cc2cc(Br)cc(Br)c2O)C1 ZINC000839137483 653643333 /nfs/dbraw/zinc/64/33/33/653643333.db2.gz ASJKHUGLUSCRBN-UHFFFAOYSA-N 0 2 392.091 2.485 20 10 GECDLN O=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C1CC1 ZINC000785407371 653708704 /nfs/dbraw/zinc/70/87/04/653708704.db2.gz JBOOXVFXCZROIP-UHFFFAOYSA-N 0 2 381.431 2.390 20 10 GECDLN COCCN1C(=O)C2(CC2)N[C@@H]1c1cc(Cl)cc(Br)c1O ZINC000887329902 654031306 /nfs/dbraw/zinc/03/13/06/654031306.db2.gz RWHPFXBSPFVPGJ-LBPRGKRZSA-N 0 2 375.650 2.418 20 10 GECDLN COc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1C(N)=O ZINC000917897970 654137702 /nfs/dbraw/zinc/13/77/02/654137702.db2.gz MNGUCJUHFSQKDD-UHFFFAOYSA-N 0 2 379.419 2.311 20 10 GECDLN Cn1cc(-c2csc(NS(=O)(=O)c3cnn(C)c3C(F)(F)F)n2)cn1 ZINC000872002767 654309075 /nfs/dbraw/zinc/30/90/75/654309075.db2.gz CTRLLQHGCGJJIU-UHFFFAOYSA-N 0 2 392.388 2.097 20 10 GECDLN COCC(=O)N1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000893927472 654432021 /nfs/dbraw/zinc/43/20/21/654432021.db2.gz LTLZOHHTTPZCPN-UHFFFAOYSA-N 0 2 377.666 2.099 20 10 GECDLN Cc1noc(C)c1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000028257345 531630490 /nfs/dbraw/zinc/63/04/90/531630490.db2.gz AAPQBAXANWPZED-UHFFFAOYSA-N 0 2 379.847 2.117 20 10 GECDLN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1nc(-c2ccccn2)cs1 ZINC000737301952 598968933 /nfs/dbraw/zinc/96/89/33/598968933.db2.gz YFANSTPMGWFBHY-UHFFFAOYSA-N 0 2 399.461 2.494 20 10 GECDLN C[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736570790 600374730 /nfs/dbraw/zinc/37/47/30/600374730.db2.gz GZUYBEYPWRQBCD-OLZOCXBDSA-N 0 2 394.427 2.442 20 10 GECDLN C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736570790 600374734 /nfs/dbraw/zinc/37/47/34/600374734.db2.gz GZUYBEYPWRQBCD-OLZOCXBDSA-N 0 2 394.427 2.442 20 10 GECDLN COCCOc1ccc(-c2nn[nH]n2)cc1NCc1cc([N+](=O)[O-])ccc1O ZINC000826161791 608136229 /nfs/dbraw/zinc/13/62/29/608136229.db2.gz ADNAYIHPDGJORW-UHFFFAOYSA-N 0 2 386.368 2.118 20 10 GECDLN COCCCS(=O)(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000180751505 644513513 /nfs/dbraw/zinc/51/35/13/644513513.db2.gz OXJRXKNAHWBHIQ-UHFFFAOYSA-N 0 2 397.324 2.183 20 10 GECDLN COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c1 ZINC000743047102 652011340 /nfs/dbraw/zinc/01/13/40/652011340.db2.gz PUDBVLBUAYBYFE-UHFFFAOYSA-N 0 2 378.435 2.131 20 10 GECDLN COC(=O)Cn1cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cn1 ZINC000743045122 652011461 /nfs/dbraw/zinc/01/14/61/652011461.db2.gz AKXRTQRISYRSBE-UHFFFAOYSA-N 0 2 384.464 2.042 20 10 GECDLN COC(=O)Cn1cc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)cn1 ZINC000743046287 652011480 /nfs/dbraw/zinc/01/14/80/652011480.db2.gz URTJWWCQGBLUNY-UHFFFAOYSA-N 0 2 398.491 2.350 20 10 GECDLN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000766047447 652863086 /nfs/dbraw/zinc/86/30/86/652863086.db2.gz IWXNJUFSZRVZLW-UHFFFAOYSA-N 0 2 380.813 2.400 20 10 GECDLN COc1cccc(OC)c1S(=O)(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000775161687 653294950 /nfs/dbraw/zinc/29/49/50/653294950.db2.gz XARYFHRHNVNFKR-UHFFFAOYSA-N 0 2 380.451 2.362 20 10 GECDLN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000785482149 653709823 /nfs/dbraw/zinc/70/98/23/653709823.db2.gz RMEIZXXIOQJZHF-UHFFFAOYSA-N 0 2 395.384 2.273 20 10 GECDLN Cn1cc(-c2csc(NS(=O)(=O)c3ccnn3CC3CCC3)n2)cn1 ZINC000903606929 654267170 /nfs/dbraw/zinc/26/71/70/654267170.db2.gz QMVMOVYSNAYGLB-UHFFFAOYSA-N 0 2 378.483 2.341 20 10 GECDLN Cn1cc(-c2csc(NS(=O)(=O)c3cn(C)nc3C(C)(C)C)n2)cn1 ZINC000872003210 654309049 /nfs/dbraw/zinc/30/90/49/654309049.db2.gz LMIFCRPCDPCVMA-UHFFFAOYSA-N 0 2 380.499 2.375 20 10 GECDLN C[S@@](=O)CCN1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000894050900 654442642 /nfs/dbraw/zinc/44/26/42/654442642.db2.gz XHEOPJMLCMREBJ-OAQYLSRUSA-N 0 2 395.750 2.304 20 10 GECDLN COc1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1NC(C)=O ZINC000055616149 531795425 /nfs/dbraw/zinc/79/54/25/531795425.db2.gz OTEKSITYXOHSDN-UHFFFAOYSA-N 0 2 378.435 2.459 20 10 GECDLN O=c1n(CC(F)F)nc2n1CCN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC000375921053 532587591 /nfs/dbraw/zinc/58/75/91/532587591.db2.gz UQDCIHPMVHBOIP-UHFFFAOYSA-N 0 2 379.194 2.338 20 10 GECDLN CCN(C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[C@@H](C)CO ZINC000293991766 532934266 /nfs/dbraw/zinc/93/42/66/532934266.db2.gz NYHXYVUKZDGFLY-NSHDSACASA-N 0 2 384.479 2.097 20 10 GECDLN O=C([O-])c1cccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000821549855 598201351 /nfs/dbraw/zinc/20/13/51/598201351.db2.gz ZJCFKPMPMGTJGS-NTCAYCPXSA-N 0 2 392.502 2.308 20 10 GECDLN CN(C)c1ccc(C[N@H+](C)CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000830830839 601872107 /nfs/dbraw/zinc/87/21/07/601872107.db2.gz NPEQFUIHVGUMGH-UHFFFAOYSA-N 0 2 396.447 2.309 20 10 GECDLN CN(C)c1ccc(C[N@@H+](C)CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000830830839 601872108 /nfs/dbraw/zinc/87/21/08/601872108.db2.gz NPEQFUIHVGUMGH-UHFFFAOYSA-N 0 2 396.447 2.309 20 10 GECDLN CC(C)(NC(=O)[O-])c1noc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000738753927 602430770 /nfs/dbraw/zinc/43/07/70/602430770.db2.gz DOMRPQLXMYEKLV-CQSZACIVSA-N 0 2 390.440 2.459 20 10 GECDLN CC(C)(NC(=O)[O-])c1noc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000738753927 602430772 /nfs/dbraw/zinc/43/07/72/602430772.db2.gz DOMRPQLXMYEKLV-CQSZACIVSA-N 0 2 390.440 2.459 20 10 GECDLN COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000776750799 653375708 /nfs/dbraw/zinc/37/57/08/653375708.db2.gz LJEBACCJDHGFSP-UHFFFAOYSA-N 0 2 384.841 2.491 20 10 GECDLN NS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000817912241 653722452 /nfs/dbraw/zinc/72/24/52/653722452.db2.gz SWSXCSQUOMYXOM-UHFFFAOYSA-N 0 2 395.487 2.258 20 10 GECDLN COCn1nc(C)c(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c1C ZINC000789727287 653780650 /nfs/dbraw/zinc/78/06/50/653780650.db2.gz KLVUOTPZNYFIBF-UHFFFAOYSA-N 0 2 379.467 2.423 20 10 GECDLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000906376824 654432304 /nfs/dbraw/zinc/43/23/04/654432304.db2.gz AJUHZPBPNRCYKL-UHFFFAOYSA-N 0 2 395.487 2.409 20 10 GECDLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1 ZINC000906477707 654442073 /nfs/dbraw/zinc/44/20/73/654442073.db2.gz AQZKUOGEECJRAJ-UHFFFAOYSA-N 0 2 395.487 2.409 20 10 GECDLN CC[C@@](C)(O)CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267500842 532742275 /nfs/dbraw/zinc/74/22/75/532742275.db2.gz IOVYMAPNYREFQC-MRXNPFEDSA-N 0 2 384.479 2.145 20 10 GECDLN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cn(C)c(Cl)n2)cc1 ZINC000269315055 532780288 /nfs/dbraw/zinc/78/02/88/532780288.db2.gz YYWKVFYRPMIMRF-UHFFFAOYSA-N 0 2 392.890 2.026 20 10 GECDLN Cc1cc(C(=O)C[NH+]2CCC(NC(N)=O)CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832857982 601153435 /nfs/dbraw/zinc/15/34/35/601153435.db2.gz FGEPFXSCPASVHM-UHFFFAOYSA-N 0 2 398.463 2.108 20 10 GECDLN CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccnn3C)n2)s1 ZINC000727245528 651516405 /nfs/dbraw/zinc/51/64/05/651516405.db2.gz BUCBTGVGFOVZJJ-UHFFFAOYSA-N 0 2 397.507 2.042 20 10 GECDLN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000766048785 652863581 /nfs/dbraw/zinc/86/35/81/652863581.db2.gz WGNBCGLODPRVFR-UHFFFAOYSA-N 0 2 382.781 2.484 20 10 GECDLN CN(CC(=O)NCc1cc(Cl)cc(Cl)c1O)c1ncnc2[nH]cnc21 ZINC000807835959 653206523 /nfs/dbraw/zinc/20/65/23/653206523.db2.gz NVHVYVNOAUHJPU-UHFFFAOYSA-N 0 2 381.223 2.118 20 10 GECDLN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000780397019 653625457 /nfs/dbraw/zinc/62/54/57/653625457.db2.gz HEZFEYRYWBRUJU-UHFFFAOYSA-N 0 2 390.870 2.097 20 10 GECDLN Cc1c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cnn1C ZINC000794016015 653892314 /nfs/dbraw/zinc/89/23/14/653892314.db2.gz GXUDMNKODQDXGI-UHFFFAOYSA-N 0 2 378.435 2.382 20 10 GECDLN Cc1cc(NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)ccc1O ZINC000794591653 653913110 /nfs/dbraw/zinc/91/31/10/653913110.db2.gz CBZFDJQXOKFYRG-UHFFFAOYSA-N 0 2 377.390 2.498 20 10 GECDLN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cncc(Br)c1 ZINC000795347387 653946927 /nfs/dbraw/zinc/94/69/27/653946927.db2.gz IAQSANIMLMBONU-UHFFFAOYSA-N 0 2 387.211 2.137 20 10 GECDLN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000797431748 654031614 /nfs/dbraw/zinc/03/16/14/654031614.db2.gz XNKXBFNLTKTAJC-UHFFFAOYSA-N 0 2 381.888 2.078 20 10 GECDLN Cn1cc(-c2[nH]ncc2C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804736845 654319686 /nfs/dbraw/zinc/31/96/86/654319686.db2.gz BHORGYYKCCMKCQ-UHFFFAOYSA-N 0 2 376.214 2.208 20 10 GECDLN COC(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1OC ZINC000006352300 531522548 /nfs/dbraw/zinc/52/25/48/531522548.db2.gz RFZZGHHSPYZDKB-UHFFFAOYSA-N 0 2 379.419 2.287 20 10 GECDLN CC[C@@H](COC)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267511310 532743069 /nfs/dbraw/zinc/74/30/69/532743069.db2.gz LYHAULJEIAUQAZ-NSHDSACASA-N 0 2 384.479 2.409 20 10 GECDLN C[C@H](C[N@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736570788 600374650 /nfs/dbraw/zinc/37/46/50/600374650.db2.gz GZUYBEYPWRQBCD-CHWSQXEVSA-N 0 2 394.427 2.442 20 10 GECDLN C[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736570788 600374653 /nfs/dbraw/zinc/37/46/53/600374653.db2.gz GZUYBEYPWRQBCD-CHWSQXEVSA-N 0 2 394.427 2.442 20 10 GECDLN Cc1cc(C(=O)CN(C)C[C@H]2C[N@H+](C)CCO2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858801 601595195 /nfs/dbraw/zinc/59/51/95/601595195.db2.gz GBTAVYPNXPMFFO-LJQANCHMSA-N 0 2 399.491 2.237 20 10 GECDLN Cc1cc(C(=O)CN(C)C[C@H]2C[N@@H+](C)CCO2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858801 601595196 /nfs/dbraw/zinc/59/51/96/601595196.db2.gz GBTAVYPNXPMFFO-LJQANCHMSA-N 0 2 399.491 2.237 20 10 GECDLN CCNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000777647843 653404898 /nfs/dbraw/zinc/40/48/98/653404898.db2.gz DRLKOEPRYBAECD-UHFFFAOYSA-N 0 2 390.870 2.145 20 10 GECDLN COC(=O)C1=NO[C@@]2(CCN(Cc3cc(C)cc(Br)c3O)C2)C1 ZINC000877714069 653617407 /nfs/dbraw/zinc/61/74/07/653617407.db2.gz LDGDOGFEMNJLKS-INIZCTEOSA-N 0 2 383.242 2.357 20 10 GECDLN COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cc(C)cc(Br)c3[O-])C2)C1 ZINC000877714069 653617410 /nfs/dbraw/zinc/61/74/10/653617410.db2.gz LDGDOGFEMNJLKS-INIZCTEOSA-N 0 2 383.242 2.357 20 10 GECDLN COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cc(C)cc(Br)c3[O-])C2)C1 ZINC000877714069 653617411 /nfs/dbraw/zinc/61/74/11/653617411.db2.gz LDGDOGFEMNJLKS-INIZCTEOSA-N 0 2 383.242 2.357 20 10 GECDLN O=S1(=O)CC(C2CN(Cc3cc(Cl)cc(Br)c3O)C2)C1 ZINC000895424098 653833779 /nfs/dbraw/zinc/83/37/79/653833779.db2.gz NJBRVMVIQZELRR-UHFFFAOYSA-N 0 2 380.691 2.285 20 10 GECDLN Cc1cc2c(cc1S(=O)(=O)Nc1nc(-c3cnn(C)c3)cs1)OCO2 ZINC000795616319 653961105 /nfs/dbraw/zinc/96/11/05/653961105.db2.gz RCMNOYNUGOEGES-UHFFFAOYSA-N 0 2 378.435 2.382 20 10 GECDLN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000802721837 654236152 /nfs/dbraw/zinc/23/61/52/654236152.db2.gz IBBPWRBJCWHNSM-UHFFFAOYSA-N 0 2 391.854 2.259 20 10 GECDLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1nc(-c2ccccn2)cs1 ZINC000906377985 654432272 /nfs/dbraw/zinc/43/22/72/654432272.db2.gz PCDAOBMYQYUQKI-UHFFFAOYSA-N 0 2 395.487 2.409 20 10 GECDLN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cn(CC(C)C)cn2)cc1 ZINC000267331365 532739904 /nfs/dbraw/zinc/73/99/04/532739904.db2.gz FWSXNZRUXAYWKW-UHFFFAOYSA-N 0 2 386.499 2.102 20 10 GECDLN C[C@@H](CO)[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000270358015 532796342 /nfs/dbraw/zinc/79/63/42/532796342.db2.gz QYFGHEAYSDIADO-WDEREUQCSA-N 0 2 384.479 2.001 20 10 GECDLN O=C([O-])N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)CC1 ZINC000834116010 605990540 /nfs/dbraw/zinc/99/05/40/605990540.db2.gz PAAIWEPKWWJCAJ-AWEZNQCLSA-N 0 2 381.860 2.080 20 10 GECDLN O=C([O-])N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)CC1 ZINC000834116010 605990541 /nfs/dbraw/zinc/99/05/41/605990541.db2.gz PAAIWEPKWWJCAJ-AWEZNQCLSA-N 0 2 381.860 2.080 20 10 GECDLN Cn1cc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1C(N)=O ZINC000066254203 642905631 /nfs/dbraw/zinc/90/56/31/642905631.db2.gz LLTFSILRMJAXBX-UHFFFAOYSA-N 0 2 380.426 2.187 20 10 GECDLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cn1 ZINC000769667659 653169711 /nfs/dbraw/zinc/16/97/11/653169711.db2.gz QNPBRNCZKJBPLP-UHFFFAOYSA-N 0 2 376.419 2.188 20 10 GECDLN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000808072628 653216573 /nfs/dbraw/zinc/21/65/73/653216573.db2.gz NGGAWCAMVPRMCH-UHFFFAOYSA-N 0 2 395.384 2.273 20 10 GECDLN CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(F)c1 ZINC000776748771 653375729 /nfs/dbraw/zinc/37/57/29/653375729.db2.gz GHLLNVWUEWHMFD-UHFFFAOYSA-N 0 2 394.833 2.357 20 10 GECDLN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nnc(COC)[nH]1 ZINC000821170752 653792107 /nfs/dbraw/zinc/79/21/07/653792107.db2.gz NONHELFUPVHXRQ-UHFFFAOYSA-N 0 2 398.261 2.151 20 10 GECDLN CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894426454 654474916 /nfs/dbraw/zinc/47/49/16/654474916.db2.gz AWVDTYLFTGBWJV-LLVKDONJSA-N 0 2 397.722 2.322 20 10 GECDLN CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894426454 654474917 /nfs/dbraw/zinc/47/49/17/654474917.db2.gz AWVDTYLFTGBWJV-LLVKDONJSA-N 0 2 397.722 2.322 20 10 GECDLN COC(=O)CCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])c(O)c2)SC1=S ZINC000299579752 532728222 /nfs/dbraw/zinc/72/82/22/532728222.db2.gz QTNIJXHYJAYGOG-WQLSENKSSA-N 0 2 382.419 2.455 20 10 GECDLN O=C(NC[C@@H]1CCOC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267483062 532742634 /nfs/dbraw/zinc/74/26/34/532742634.db2.gz CUSJIYRSXOKLFG-NSHDSACASA-N 0 2 382.463 2.021 20 10 GECDLN C[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736570793 600375316 /nfs/dbraw/zinc/37/53/16/600375316.db2.gz GZUYBEYPWRQBCD-STQMWFEESA-N 0 2 394.427 2.442 20 10 GECDLN C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736570793 600375325 /nfs/dbraw/zinc/37/53/25/600375325.db2.gz GZUYBEYPWRQBCD-STQMWFEESA-N 0 2 394.427 2.442 20 10 GECDLN C[C@H](C[N@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736573816 600376147 /nfs/dbraw/zinc/37/61/47/600376147.db2.gz WGDTYNOQIMGNNA-GFCCVEGCSA-N 0 2 380.400 2.053 20 10 GECDLN C[C@H](C[N@@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736573816 600376149 /nfs/dbraw/zinc/37/61/49/600376149.db2.gz WGDTYNOQIMGNNA-GFCCVEGCSA-N 0 2 380.400 2.053 20 10 GECDLN Cn1cc(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCCO4)n2)cn1 ZINC000743047536 652011292 /nfs/dbraw/zinc/01/12/92/652011292.db2.gz ZHQDUBJHLPMLMX-UHFFFAOYSA-N 0 2 378.435 2.116 20 10 GECDLN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])Cc1ccccc1S(N)(=O)=O ZINC000816626412 653688972 /nfs/dbraw/zinc/68/89/72/653688972.db2.gz HWCPSKKYKULKAX-UHFFFAOYSA-N 0 2 385.829 2.233 20 10 GECDLN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])Cc1ccccc1S(N)(=O)=O ZINC000816626412 653688976 /nfs/dbraw/zinc/68/89/76/653688976.db2.gz HWCPSKKYKULKAX-UHFFFAOYSA-N 0 2 385.829 2.233 20 10 GECDLN COC(=O)c1cncc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c1 ZINC000788545454 653759259 /nfs/dbraw/zinc/75/92/59/653759259.db2.gz CINOFWLWOXZOCF-UHFFFAOYSA-N 0 2 376.419 2.188 20 10 GECDLN CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2Cl)ccc1O ZINC000790408145 653791030 /nfs/dbraw/zinc/79/10/30/653791030.db2.gz UDSTXIZWFPTHAP-UHFFFAOYSA-N 0 2 390.870 2.063 20 10 GECDLN O=S(=O)(Nc1ccc(O)cc1)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000794862465 653922718 /nfs/dbraw/zinc/92/27/18/653922718.db2.gz BEHMMVNZUYBGQT-UHFFFAOYSA-N 0 2 381.353 2.487 20 10 GECDLN COc1cc(NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)ccc1O ZINC000797819582 654043146 /nfs/dbraw/zinc/04/31/46/654043146.db2.gz NJIAEBHLWQAMME-UHFFFAOYSA-N 0 2 393.389 2.198 20 10 GECDLN Cn1cc(-c2csc(NS(=O)(=O)c3cn(C)nc3C(F)(F)F)n2)cn1 ZINC000829687519 654076671 /nfs/dbraw/zinc/07/66/71/654076671.db2.gz KRGWUHVXKIZWEH-UHFFFAOYSA-N 0 2 392.388 2.097 20 10 GECDLN CC1(CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)COC1 ZINC000267486931 532741721 /nfs/dbraw/zinc/74/17/21/532741721.db2.gz DTSOSLZADOPUCC-UHFFFAOYSA-N 0 2 382.463 2.021 20 10 GECDLN C[C@@H]1COCCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000271283807 532807324 /nfs/dbraw/zinc/80/73/24/532807324.db2.gz QTPMYJZBPGMDNT-LLVKDONJSA-N 0 2 382.463 2.115 20 10 GECDLN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1nc(-c2ccccn2)cs1 ZINC000737225727 599029509 /nfs/dbraw/zinc/02/95/09/599029509.db2.gz HKBHEDZULOMLNH-UHFFFAOYSA-N 0 2 399.461 2.494 20 10 GECDLN O=C([O-])c1cccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000821549857 598201267 /nfs/dbraw/zinc/20/12/67/598201267.db2.gz ZJCFKPMPMGTJGS-QINSGFPZSA-N 0 2 392.502 2.308 20 10 GECDLN Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)nc3)n2)cc1 ZINC000737286893 598438461 /nfs/dbraw/zinc/43/84/61/598438461.db2.gz AUFKZKWBWNGQAX-UHFFFAOYSA-N 0 2 399.461 2.494 20 10 GECDLN Cc1cccn2c(=O)cc(C[N@H+](CC(=O)[O-])Cc3cc(Cl)ccc3O)nc12 ZINC000738785168 600143121 /nfs/dbraw/zinc/14/31/21/600143121.db2.gz IZBFTBCUTYZLRY-UHFFFAOYSA-N 0 2 387.823 2.449 20 10 GECDLN Cc1cccn2c(=O)cc(C[N@@H+](CC(=O)[O-])Cc3cc(Cl)ccc3O)nc12 ZINC000738785168 600143124 /nfs/dbraw/zinc/14/31/24/600143124.db2.gz IZBFTBCUTYZLRY-UHFFFAOYSA-N 0 2 387.823 2.449 20 10 GECDLN C[C@H](C[N@H+](C)[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736570641 600371559 /nfs/dbraw/zinc/37/15/59/600371559.db2.gz DUTNFYCRBLXOGT-CHWSQXEVSA-N 0 2 394.427 2.442 20 10 GECDLN C[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736570641 600371563 /nfs/dbraw/zinc/37/15/63/600371563.db2.gz DUTNFYCRBLXOGT-CHWSQXEVSA-N 0 2 394.427 2.442 20 10 GECDLN C[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC000828024771 601933453 /nfs/dbraw/zinc/93/34/53/601933453.db2.gz VKJNWJKQKDDGDI-JOCHJYFZSA-N 0 2 392.411 2.197 20 10 GECDLN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC000828024771 601933455 /nfs/dbraw/zinc/93/34/55/601933455.db2.gz VKJNWJKQKDDGDI-JOCHJYFZSA-N 0 2 392.411 2.197 20 10 GECDLN COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)c(C)o1 ZINC000754694919 652442921 /nfs/dbraw/zinc/44/29/21/652442921.db2.gz RYCRMEOZGSNGQL-UHFFFAOYSA-N 0 2 382.423 2.032 20 10 GECDLN CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1SC(=N)NC1=O ZINC000769296381 653148073 /nfs/dbraw/zinc/14/80/73/653148073.db2.gz HCOYZPMPRJXLBU-LLVKDONJSA-N 0 2 386.271 2.060 20 10 GECDLN CCNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(O)cc1CC ZINC000790415443 653791201 /nfs/dbraw/zinc/79/12/01/653791201.db2.gz FXHHUHVJQAOQMF-UHFFFAOYSA-N 0 2 384.479 2.054 20 10 GECDLN CS(=O)(=O)N1CCCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000893917622 654431182 /nfs/dbraw/zinc/43/11/82/654431182.db2.gz CNCYJTSIVKACGW-UHFFFAOYSA-N 0 2 397.722 2.275 20 10 GECDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCc1cccc(Br)c1O ZINC000280049058 532406414 /nfs/dbraw/zinc/40/64/14/532406414.db2.gz HJBPWSCXZFSMQH-JTQLQIEISA-N 0 2 397.191 2.474 20 10 GECDLN CN(C)C(=O)c1cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cn1C ZINC000180903668 644517890 /nfs/dbraw/zinc/51/78/90/644517890.db2.gz UJBGTXOIJFLFBK-UHFFFAOYSA-N 0 2 380.451 2.244 20 10 GECDLN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000797430920 654031152 /nfs/dbraw/zinc/03/11/52/654031152.db2.gz CGIAQSUYOKGKJN-UHFFFAOYSA-N 0 2 395.915 2.387 20 10 GECDLN C[S@](=O)CCN1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000894050899 654442574 /nfs/dbraw/zinc/44/25/74/654442574.db2.gz XHEOPJMLCMREBJ-NRFANRHFSA-N 0 2 395.750 2.304 20 10 GECDLN NS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894460609 654477679 /nfs/dbraw/zinc/47/76/79/654477679.db2.gz SZHJPOIQTFLROD-SNVBAGLBSA-N 0 2 383.695 2.061 20 10 GECDLN COCC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267525098 532744882 /nfs/dbraw/zinc/74/48/82/532744882.db2.gz ROIRQHZPRWOYTJ-LLVKDONJSA-N 0 2 384.479 2.409 20 10 GECDLN C[C@@H](O)C(C)(C)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000272752026 532817706 /nfs/dbraw/zinc/81/77/06/532817706.db2.gz DWRXJSACKRELAS-SNVBAGLBSA-N 0 2 384.479 2.144 20 10 GECDLN C[C@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC000828024772 601933271 /nfs/dbraw/zinc/93/32/71/601933271.db2.gz VKJNWJKQKDDGDI-QFIPXVFZSA-N 0 2 392.411 2.197 20 10 GECDLN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC000828024772 601933275 /nfs/dbraw/zinc/93/32/75/601933275.db2.gz VKJNWJKQKDDGDI-QFIPXVFZSA-N 0 2 392.411 2.197 20 10 GECDLN O=C([O-])N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)CC1 ZINC000834116012 605990547 /nfs/dbraw/zinc/99/05/47/605990547.db2.gz PAAIWEPKWWJCAJ-CQSZACIVSA-N 0 2 381.860 2.080 20 10 GECDLN O=C([O-])N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)CC1 ZINC000834116012 605990548 /nfs/dbraw/zinc/99/05/48/605990548.db2.gz PAAIWEPKWWJCAJ-CQSZACIVSA-N 0 2 381.860 2.080 20 10 GECDLN Cc1nnc(NNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)[nH]c1=O ZINC000735626137 651789249 /nfs/dbraw/zinc/78/92/49/651789249.db2.gz USGUACCHFSFQTA-UHFFFAOYSA-N 0 2 376.776 2.454 20 10 GECDLN O=S(=O)(Nc1ccc(-n2cncn2)c(Cl)c1)c1cccc2nonc21 ZINC000765076778 652821922 /nfs/dbraw/zinc/82/19/22/652821922.db2.gz IDNZWMMKMQYLAO-UHFFFAOYSA-N 0 2 376.785 2.258 20 10 GECDLN O=C(OC[C@H]1CCOC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000785408494 653708677 /nfs/dbraw/zinc/70/86/77/653708677.db2.gz USBPJGWVSZXFQO-NSHDSACASA-N 0 2 383.447 2.448 20 10 GECDLN CC(=O)NC[C@H]1CN(Cc2cc(Cl)cc(Br)c2O)CCO1 ZINC000894031148 654440781 /nfs/dbraw/zinc/44/07/81/654440781.db2.gz QBOXPMIMGLVUCM-LBPRGKRZSA-N 0 2 377.666 2.145 20 10 GECDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1cnn([C@@H]2CCOC2)c1 ZINC000155909726 531704284 /nfs/dbraw/zinc/70/42/84/531704284.db2.gz HWIZXZSYDOOITH-LLVKDONJSA-N 0 2 377.451 2.164 20 10 GECDLN Cc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1NS(C)(=O)=O ZINC000520395983 532491868 /nfs/dbraw/zinc/49/18/68/532491868.db2.gz GFRWPEACTRFMIA-UHFFFAOYSA-N 0 2 398.491 2.172 20 10 GECDLN CS(=O)(=O)CCc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000533464650 532664757 /nfs/dbraw/zinc/66/47/57/532664757.db2.gz TWMYRGBZACMOSV-UHFFFAOYSA-N 0 2 397.503 2.079 20 10 GECDLN C[C@H]1COCCN1C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000271283809 532807076 /nfs/dbraw/zinc/80/70/76/532807076.db2.gz QTPMYJZBPGMDNT-NSHDSACASA-N 0 2 382.463 2.115 20 10 GECDLN C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@H]1C(=O)[O-] ZINC000828441791 601515741 /nfs/dbraw/zinc/51/57/41/601515741.db2.gz TTXLRPZZLQTQHI-KPZWWZAWSA-N 0 2 392.411 2.053 20 10 GECDLN C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@H]1C(=O)[O-] ZINC000828441791 601515743 /nfs/dbraw/zinc/51/57/43/601515743.db2.gz TTXLRPZZLQTQHI-KPZWWZAWSA-N 0 2 392.411 2.053 20 10 GECDLN Cc1cc(C(=O)CN(C)C[C@@H]2C[N@H+](C)CCO2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858792 601594949 /nfs/dbraw/zinc/59/49/49/601594949.db2.gz GBTAVYPNXPMFFO-IBGZPJMESA-N 0 2 399.491 2.237 20 10 GECDLN Cc1cc(C(=O)CN(C)C[C@@H]2C[N@@H+](C)CCO2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858792 601594951 /nfs/dbraw/zinc/59/49/51/601594951.db2.gz GBTAVYPNXPMFFO-IBGZPJMESA-N 0 2 399.491 2.237 20 10 GECDLN CNC(=O)Nc1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1F ZINC000560448356 651310040 /nfs/dbraw/zinc/31/00/40/651310040.db2.gz HASUOKHNNVCMRY-UHFFFAOYSA-N 0 2 381.414 2.383 20 10 GECDLN CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000769296383 653147803 /nfs/dbraw/zinc/14/78/03/653147803.db2.gz HCOYZPMPRJXLBU-NSHDSACASA-N 0 2 386.271 2.060 20 10 GECDLN CNS(=O)(=O)c1cc(NS(=O)(=O)c2cccc(C)c2Cl)ccc1O ZINC000790407069 653791128 /nfs/dbraw/zinc/79/11/28/653791128.db2.gz RVQAAOFDIFLPBL-UHFFFAOYSA-N 0 2 390.870 2.063 20 10 GECDLN COC[C@@H](C)CNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267533825 532744997 /nfs/dbraw/zinc/74/49/97/532744997.db2.gz XEDWVYQZTLEBNY-NSHDSACASA-N 0 2 384.479 2.267 20 10 GECDLN Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)n1 ZINC000737416583 598438363 /nfs/dbraw/zinc/43/83/63/598438363.db2.gz CUQVLFGKGBLAGD-UHFFFAOYSA-N 0 2 399.461 2.494 20 10 GECDLN C[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736570647 600371408 /nfs/dbraw/zinc/37/14/08/600371408.db2.gz DUTNFYCRBLXOGT-OLZOCXBDSA-N 0 2 394.427 2.442 20 10 GECDLN C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736570647 600371411 /nfs/dbraw/zinc/37/14/11/600371411.db2.gz DUTNFYCRBLXOGT-OLZOCXBDSA-N 0 2 394.427 2.442 20 10 GECDLN CC(C)n1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cn1 ZINC000265895145 645811202 /nfs/dbraw/zinc/81/12/02/645811202.db2.gz AYQULDAKBMWQRW-UHFFFAOYSA-N 0 2 392.890 2.290 20 10 GECDLN COc1cc(S(=O)(=O)Nc2nc(-c3cnn(C)c3)cs2)cnc1Cl ZINC000767692388 652942350 /nfs/dbraw/zinc/94/23/50/652942350.db2.gz WWSQDOSWSWCCEY-UHFFFAOYSA-N 0 2 385.858 2.401 20 10 GECDLN COC(=O)c1cncc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)c1 ZINC000788548007 653759389 /nfs/dbraw/zinc/75/93/89/653759389.db2.gz KQWUPVNUASARJE-UHFFFAOYSA-N 0 2 376.419 2.188 20 10 GECDLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cn1 ZINC000795608593 653960769 /nfs/dbraw/zinc/96/07/69/653960769.db2.gz UWVLCXABNJKATK-UHFFFAOYSA-N 0 2 385.448 2.002 20 10 GECDLN COc1cc(NS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)ccc1O ZINC000797820063 654043172 /nfs/dbraw/zinc/04/31/72/654043172.db2.gz DPWKQLUCCMUSMZ-UHFFFAOYSA-N 0 2 397.883 2.320 20 10 GECDLN Cc1c(CS(C)(=O)=O)cccc1NS(=O)(=O)c1cccc2nsnc21 ZINC000609733512 532717704 /nfs/dbraw/zinc/71/77/04/532717704.db2.gz DGDMQYRMFXYXOY-UHFFFAOYSA-N 0 2 397.503 2.345 20 10 GECDLN CO[C@@H](C)CCNC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267508478 532743016 /nfs/dbraw/zinc/74/30/16/532743016.db2.gz LATKSUCRHUMSSX-NSHDSACASA-N 0 2 384.479 2.409 20 10 GECDLN C[C@@H](CCCO)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000270376342 532796631 /nfs/dbraw/zinc/79/66/31/532796631.db2.gz AQHNOPIOHGSDET-NSHDSACASA-N 0 2 384.479 2.145 20 10 GECDLN O=S(=O)(Nc1cccc(N2CCCCCC2)c1)c1ccc(-c2nn[nH]n2)nc1 ZINC000738342858 599030504 /nfs/dbraw/zinc/03/05/04/599030504.db2.gz RKNQDGDBNMHBOD-UHFFFAOYSA-N 0 2 399.480 2.443 20 10 GECDLN O=S1(=O)CC[C@H](N2CCN(Cc3cc(Cl)cc(Cl)c3O)CC2)C1 ZINC000120414263 643605877 /nfs/dbraw/zinc/60/58/77/643605877.db2.gz RAVRAAURVYVGPD-ZDUSSCGKSA-N 0 2 379.309 2.004 20 10 GECDLN Cc1cc(-c2csc(NS(=O)(=O)c3cc(C(N)=O)n(C)c3)n2)c(C)o1 ZINC000120763632 643623419 /nfs/dbraw/zinc/62/34/19/643623419.db2.gz XQTFTNAAQWXAMM-UHFFFAOYSA-N 0 2 380.451 2.258 20 10 GECDLN CS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC000321259389 647292143 /nfs/dbraw/zinc/29/21/43/647292143.db2.gz YHLSIGUKXCPDRV-UHFFFAOYSA-N 0 2 379.818 2.389 20 10 GECDLN CS(=O)(=O)N1CCC(N(Cc2ccc(F)c(F)c2O)CC(F)F)CC1 ZINC000877503805 653606962 /nfs/dbraw/zinc/60/69/62/653606962.db2.gz WFKVNIPDNXCYOA-UHFFFAOYSA-N 0 2 384.395 2.162 20 10 GECDLN Cn1cnnc1N1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000895187084 653821936 /nfs/dbraw/zinc/82/19/36/653821936.db2.gz JTYLWVNPDJAFCY-UHFFFAOYSA-N 0 2 386.681 2.259 20 10 GECDLN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000797432341 654031493 /nfs/dbraw/zinc/03/14/93/654031493.db2.gz BFEFXRVYIAEPSK-UHFFFAOYSA-N 0 2 393.849 2.156 20 10 GECDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCc1cc(Br)ccc1O ZINC000804737752 654320026 /nfs/dbraw/zinc/32/00/26/654320026.db2.gz WVGJIZPMMXJONC-NSHDSACASA-N 0 2 397.191 2.474 20 10 GECDLN C[C@H](CCCO)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000270376340 532796802 /nfs/dbraw/zinc/79/68/02/532796802.db2.gz AQHNOPIOHGSDET-LLVKDONJSA-N 0 2 384.479 2.145 20 10 GECDLN COC(=O)CN(CCN1CCOCC1)Cc1cc(Cl)cc(Cl)c1O ZINC000179587692 644464789 /nfs/dbraw/zinc/46/47/89/644464789.db2.gz LEJCGHMGVLUJDF-UHFFFAOYSA-N 0 2 377.268 2.006 20 10 GECDLN COC(=O)NCc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000735270233 651774985 /nfs/dbraw/zinc/77/49/85/651774985.db2.gz MHGLLMOJTBSELX-UHFFFAOYSA-N 0 2 378.435 2.348 20 10 GECDLN COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cn1C ZINC000745994709 652092236 /nfs/dbraw/zinc/09/22/36/652092236.db2.gz ODKRNHQHUUUPPQ-UHFFFAOYSA-N 0 2 378.435 2.131 20 10 GECDLN CC1(COC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)COC1 ZINC000785407033 653708689 /nfs/dbraw/zinc/70/86/89/653708689.db2.gz CIAVOXYAWOHAMI-UHFFFAOYSA-N 0 2 383.447 2.448 20 10 GECDLN CS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c1 ZINC000906377141 654432470 /nfs/dbraw/zinc/43/24/70/654432470.db2.gz HKZKPLQCDYRFFL-UHFFFAOYSA-N 0 2 395.487 2.409 20 10 GECDLN CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000019103174 531576486 /nfs/dbraw/zinc/57/64/86/531576486.db2.gz HZOWYEAPJKTZRU-UHFFFAOYSA-N 0 2 383.476 2.286 20 10 GECDLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1cnn([C@H]2CCOC2)c1 ZINC000155909838 531704156 /nfs/dbraw/zinc/70/41/56/531704156.db2.gz HWIZXZSYDOOITH-NSHDSACASA-N 0 2 377.451 2.164 20 10 GECDLN CS(=O)(=O)Cc1cccc(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000058496378 531832065 /nfs/dbraw/zinc/83/20/65/531832065.db2.gz FIUISMWFKUEFGR-UHFFFAOYSA-N 0 2 383.476 2.037 20 10 GECDLN O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000738342167 598910656 /nfs/dbraw/zinc/91/06/56/598910656.db2.gz NIAGFTQBDLQURI-UHFFFAOYSA-N 0 2 388.428 2.407 20 10 GECDLN Cn1ccnc1C[N@@H+]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000739055846 600214253 /nfs/dbraw/zinc/21/42/53/600214253.db2.gz MVVGWQGCKVZINE-GQCTYLIASA-N 0 2 385.424 2.138 20 10 GECDLN Cn1ccnc1C[N@H+]1CCCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000739055846 600214254 /nfs/dbraw/zinc/21/42/54/600214254.db2.gz MVVGWQGCKVZINE-GQCTYLIASA-N 0 2 385.424 2.138 20 10 GECDLN Cc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)c(C)n1-c1ccccc1Br ZINC000119902098 643578302 /nfs/dbraw/zinc/57/83/02/643578302.db2.gz KPGLGAHKQVOCCK-UHFFFAOYSA-N 0 2 390.241 2.198 20 10 GECDLN Cc1ccc(-c2csc(NS(=O)(=O)c3cc(C(N)=O)n(C)c3)n2)s1 ZINC000124569176 643688076 /nfs/dbraw/zinc/68/80/76/643688076.db2.gz LVQWUMMUSGIPOK-UHFFFAOYSA-N 0 2 382.492 2.418 20 10 GECDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000766742622 652894862 /nfs/dbraw/zinc/89/48/62/652894862.db2.gz VCWCUPOHDDAMKR-UHFFFAOYSA-N 0 2 380.499 2.203 20 10 GECDLN COC(=O)c1ncsc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805135151 653099880 /nfs/dbraw/zinc/09/98/80/653099880.db2.gz HFDSADWCYZIULI-UHFFFAOYSA-N 0 2 397.261 2.421 20 10 GECDLN O=C1OCCN1c1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000799122481 654085313 /nfs/dbraw/zinc/08/53/13/654085313.db2.gz PELCPPCHUFANPD-UHFFFAOYSA-N 0 2 376.419 2.449 20 10 GECDLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000906481091 654442685 /nfs/dbraw/zinc/44/26/85/654442685.db2.gz PTTIABBPDLSHDQ-UHFFFAOYSA-N 0 2 395.487 2.409 20 10 GECDLN NS(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000894460608 654477774 /nfs/dbraw/zinc/47/77/74/654477774.db2.gz SZHJPOIQTFLROD-JTQLQIEISA-N 0 2 383.695 2.061 20 10 GECDLN CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cn(C)c(C)n2)cc1 ZINC000265927256 532698884 /nfs/dbraw/zinc/69/88/84/532698884.db2.gz QYZKKJQTLDFFHU-UHFFFAOYSA-N 0 2 386.499 2.071 20 10 GECDLN O=C(NC1CCOCC1)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267527721 532744504 /nfs/dbraw/zinc/74/45/04/532744504.db2.gz TXHVPPBCGVJSBM-UHFFFAOYSA-N 0 2 382.463 2.163 20 10 GECDLN COCC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000267525099 532744639 /nfs/dbraw/zinc/74/46/39/532744639.db2.gz ROIRQHZPRWOYTJ-NSHDSACASA-N 0 2 384.479 2.409 20 10 GECDLN C[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)[C@H](C)CO ZINC000270358009 532796003 /nfs/dbraw/zinc/79/60/03/532796003.db2.gz QYFGHEAYSDIADO-GHMZBOCLSA-N 0 2 384.479 2.001 20 10 GECDLN C[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736570661 600371652 /nfs/dbraw/zinc/37/16/52/600371652.db2.gz DUTNFYCRBLXOGT-STQMWFEESA-N 0 2 394.427 2.442 20 10 GECDLN C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000736570661 600371655 /nfs/dbraw/zinc/37/16/55/600371655.db2.gz DUTNFYCRBLXOGT-STQMWFEESA-N 0 2 394.427 2.442 20 10 GECDLN NS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000007708119 642343876 /nfs/dbraw/zinc/34/38/76/642343876.db2.gz HAGMLVCWZCRVFG-UHFFFAOYSA-N 0 2 395.487 2.258 20 10 GECDLN COC(=O)c1ccc(-c2csc(NS(=O)(=O)c3ccnn3C)n2)cc1 ZINC000727247068 651516498 /nfs/dbraw/zinc/51/64/98/651516498.db2.gz ULBFNNNJFXHCDF-UHFFFAOYSA-N 0 2 378.435 2.131 20 10 GECDLN Cn1cc(-c2csc(NS(=O)(=O)c3cccc4c3OCCO4)n2)cn1 ZINC000743046400 652011377 /nfs/dbraw/zinc/01/13/77/652011377.db2.gz FUVJIYSXDICNOP-UHFFFAOYSA-N 0 2 378.435 2.116 20 10 GECDLN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000776751889 653375559 /nfs/dbraw/zinc/37/55/59/653375559.db2.gz WFVQHBAEBBBWCW-UHFFFAOYSA-N 0 2 391.232 2.364 20 10 GECDLN CC1CCN(c2cccc(NS(=O)(=O)c3ccc(-c4nn[nH]n4)nc3)c2)CC1 ZINC000736279073 598911240 /nfs/dbraw/zinc/91/12/40/598911240.db2.gz KLIRCUHERJXTKB-UHFFFAOYSA-N 0 2 399.480 2.299 20 10 GECDLN COC(=O)c1nscc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000755736604 652474273 /nfs/dbraw/zinc/47/42/73/652474273.db2.gz IVJSECFVFZJFGP-UHFFFAOYSA-N 0 2 382.448 2.249 20 10 GECDLN O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc2nonc21 ZINC000765034377 652819940 /nfs/dbraw/zinc/81/99/40/652819940.db2.gz LNALNABMWKCCHW-UHFFFAOYSA-N 0 2 389.361 2.020 20 10 GECDLN CN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1Cl ZINC000765061496 652821521 /nfs/dbraw/zinc/82/15/21/652821521.db2.gz RWEUBGLANGTQAM-UHFFFAOYSA-N 0 2 380.813 2.379 20 10 GECDLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808113959 653219115 /nfs/dbraw/zinc/21/91/15/653219115.db2.gz OCBFDMIJDSJFEU-UHFFFAOYSA-N 0 2 379.818 2.389 20 10 GECDLN CC(C)OCc1cc(NS(=O)(=O)c2ccc(CC(N)=O)s2)ccc1O ZINC000840913732 653700613 /nfs/dbraw/zinc/70/06/13/653700613.db2.gz JKGRNLLPZRDVOD-UHFFFAOYSA-N 0 2 384.479 2.207 20 10 GECDLN