smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1c(Cl)nc2ccccn21 ZINC000392204296 677677915 /nfs/dbraw/zinc/67/79/15/677677915.db2.gz LSOVOJBWOAHJNJ-UHFFFAOYSA-N -2 3 375.801 1.969 20 0 GDADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000679291749 944640537 /nfs/dbraw/zinc/64/05/37/944640537.db2.gz CLRNERNKXURCLJ-UHFFFAOYSA-N -2 3 376.373 1.765 20 0 GDADHL CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000824019531 946558482 /nfs/dbraw/zinc/55/84/82/946558482.db2.gz FTEVJDNVWWDHJG-UHFFFAOYSA-N -2 3 389.368 1.327 20 0 GDADHL CC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000824019531 946558492 /nfs/dbraw/zinc/55/84/92/946558492.db2.gz FTEVJDNVWWDHJG-UHFFFAOYSA-N -2 3 389.368 1.327 20 0 GDADHL CCC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000825034779 947050985 /nfs/dbraw/zinc/05/09/85/947050985.db2.gz PMQXWVKNIKLMAO-UHFFFAOYSA-N -2 3 399.432 1.887 20 0 GDADHL CCC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000825034779 947050994 /nfs/dbraw/zinc/05/09/94/947050994.db2.gz PMQXWVKNIKLMAO-UHFFFAOYSA-N -2 3 399.432 1.887 20 0 GDADHL COCc1ccsc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826165413 947519167 /nfs/dbraw/zinc/51/91/67/947519167.db2.gz UBXFUVGWSUQVJX-UHFFFAOYSA-N -2 3 393.450 1.502 20 0 GDADHL COCc1ccsc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826165413 947519174 /nfs/dbraw/zinc/51/91/74/947519174.db2.gz UBXFUVGWSUQVJX-UHFFFAOYSA-N -2 3 393.450 1.502 20 0 GDADHL Cc1nccnc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001571171672 952795870 /nfs/dbraw/zinc/79/58/70/952795870.db2.gz VYMCDRLQWGYXCL-MRVPVSSYSA-N -2 3 381.368 1.283 20 0 GDADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H]1COC2(CCCCC2)O1 ZINC001594896126 954567049 /nfs/dbraw/zinc/56/70/49/954567049.db2.gz MJXXYUSADWWDBP-UPJWGTAASA-N -2 3 394.390 1.658 20 0 GDADHL COC(=O)CC[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(=O)[O-] ZINC001593846480 955421056 /nfs/dbraw/zinc/42/10/56/955421056.db2.gz RIGBMGXUSREKAD-QMMMGPOBSA-N -2 3 395.156 1.459 20 0 GDADHL COC(=O)c1cc2nc(NC(=O)[C@H](OC)C(=O)[O-])[n-]c2c(Br)c1 ZINC001593867692 955600893 /nfs/dbraw/zinc/60/08/93/955600893.db2.gz JOBVMNZQMPRTQS-VIFPVBQESA-N -2 3 386.158 1.150 20 0 GDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C)CCC[C@@H]2C(=O)[O-])ccc1F ZINC001603075212 972144274 /nfs/dbraw/zinc/14/42/74/972144274.db2.gz IZKIEOYDOJGKMN-BXUZGUMPSA-N -2 3 386.445 1.980 20 0 GDADHL C[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001589117071 956098715 /nfs/dbraw/zinc/09/87/15/956098715.db2.gz RJWGPOXSWBQYIO-RYUDHWBXSA-N -2 3 387.392 1.644 20 0 GDADHL C[C@H](CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-])NC(=O)OC(C)(C)C ZINC001603159242 972261385 /nfs/dbraw/zinc/26/13/85/972261385.db2.gz UXJAOUBUDOSDLV-MXWKQRLJSA-N -2 3 397.394 1.496 20 0 GDADHL CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000042794241 957428744 /nfs/dbraw/zinc/42/87/44/957428744.db2.gz DPNBFENLNAEVJY-UHFFFAOYSA-N -2 3 392.433 1.582 20 0 GDADHL CC(C)OC(=O)c1cc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)[n-]n1 ZINC001573549252 959225066 /nfs/dbraw/zinc/22/50/66/959225066.db2.gz DSQQNRFRIPACOL-CQSZACIVSA-N -2 3 385.380 1.633 20 0 GDADHL CC(C)OC(=O)c1cc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)n[n-]1 ZINC001573549252 959225081 /nfs/dbraw/zinc/22/50/81/959225081.db2.gz DSQQNRFRIPACOL-CQSZACIVSA-N -2 3 385.380 1.633 20 0 GDADHL CC(C)(C)OC(=O)NCCCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001588717132 960980974 /nfs/dbraw/zinc/98/09/74/960980974.db2.gz KMRLPHTVXDEATN-WDEREUQCSA-N -2 3 397.394 1.497 20 0 GDADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC[S@](=O)c1ccccc1 ZINC001574647043 962388569 /nfs/dbraw/zinc/38/85/69/962388569.db2.gz JYVNVBYDKKFSOS-VXLFJPSPSA-N -2 3 392.399 1.390 20 0 GDADHL O=C([O-])COCCOCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC001574731725 962842985 /nfs/dbraw/zinc/84/29/85/962842985.db2.gz UKQPHIFOYRQGTQ-UHFFFAOYSA-N -2 3 391.218 1.072 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCn2cc(Br)cn2)o1 ZINC000313991197 963697224 /nfs/dbraw/zinc/69/72/24/963697224.db2.gz XSCORRHPZHHDGQ-UHFFFAOYSA-N -2 3 378.204 1.305 20 0 GDADHL CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000315270189 963872962 /nfs/dbraw/zinc/87/29/62/963872962.db2.gz ZSGHAYNCVSTJAK-ZETCQYMHSA-N -2 3 397.247 1.179 20 0 GDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C)(C(=O)[O-])CC2)ccc1F ZINC000777382372 969171742 /nfs/dbraw/zinc/17/17/42/969171742.db2.gz HKBPQPOYHAMKFK-UHFFFAOYSA-N -2 3 386.445 1.839 20 0 GDADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001605093742 972751312 /nfs/dbraw/zinc/75/13/12/972751312.db2.gz QBNGVRAFRBMTFQ-ZDUSSCGKSA-N -2 3 398.412 1.624 20 0 GDADHL O=C([O-])CN1CC[C@H](N2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)C1=O ZINC001606232746 973502640 /nfs/dbraw/zinc/50/26/40/973502640.db2.gz YISLGYQQDLZFER-RISCZKNCSA-N -2 3 399.369 1.344 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2F)CCNC3=O)cc1F ZINC000556351309 974488969 /nfs/dbraw/zinc/48/89/69/974488969.db2.gz VPLAHGMQZIXBDJ-UHFFFAOYSA-N -2 3 382.344 1.750 20 0 GDADHL C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)c1ncc(C(=O)[O-])s1 ZINC000572603145 974750689 /nfs/dbraw/zinc/75/06/89/974750689.db2.gz WGMIRCCMVANABF-SSDOTTSWSA-N -2 3 399.425 1.905 20 0 GDADHL CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)no1 ZINC001591734032 975710902 /nfs/dbraw/zinc/71/09/02/975710902.db2.gz BREOQXXDZBMZHH-SECBINFHSA-N -2 3 387.389 1.871 20 0 GDADHL C[C@@H](CC(=O)OCc1ccccc1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001592433379 978066251 /nfs/dbraw/zinc/06/62/51/978066251.db2.gz IGWRXAFZOPKVDO-JTQLQIEISA-N -2 3 384.435 1.642 20 0 GDADHL C[C@@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001592521988 978378647 /nfs/dbraw/zinc/37/86/47/978378647.db2.gz SXWZQHDKMBCNHY-QMMMGPOBSA-N -2 3 379.460 1.423 20 0 GDADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(N)=O)CC2 ZINC000782534182 978793434 /nfs/dbraw/zinc/79/34/34/978793434.db2.gz SOWXAWMXEARWQG-UHFFFAOYSA-N -2 3 375.406 1.935 20 0 GDADHL CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1 ZINC000793357132 978804361 /nfs/dbraw/zinc/80/43/61/978804361.db2.gz JJAJFPKGYFMCST-UHFFFAOYSA-N -2 3 380.397 1.922 20 0 GDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1N1C(=O)CNC1=O ZINC000794611680 978814209 /nfs/dbraw/zinc/81/42/09/978814209.db2.gz MFKPXHHMNRNKQV-UHFFFAOYSA-N -2 3 389.389 1.550 20 0 GDADHL C[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C[C@H]1C(=O)[O-] ZINC000817870141 978904778 /nfs/dbraw/zinc/90/47/78/978904778.db2.gz VGLVQUBRJYTKHO-ZYHUDNBSSA-N -2 3 386.445 1.695 20 0 GDADHL C[C@@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC001592722866 979228222 /nfs/dbraw/zinc/22/82/22/979228222.db2.gz QLMRTSQFFCQFFT-JTQLQIEISA-N -2 3 387.435 1.463 20 0 GDADHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]Cc1ccc(Cl)c(C(=O)[O-])n1 ZINC001595538294 981391522 /nfs/dbraw/zinc/39/15/22/981391522.db2.gz SFKXNFLNJBLUFP-LLVKDONJSA-N -2 3 378.834 1.584 20 0 GDADHL CCOC(=O)N1CCC[C@@H]([C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001596651681 984682430 /nfs/dbraw/zinc/68/24/30/984682430.db2.gz HSWXTTJHKVYWCZ-VHSXEESVSA-N -2 3 391.471 1.377 20 0 GDADHL CCO[C@H]1C[C@@](NC(=O)CCNC(=O)c2ccc(C)cc2[O-])(C(=O)[O-])C1(C)C ZINC001596817795 985395609 /nfs/dbraw/zinc/39/56/09/985395609.db2.gz FYBJBBGXAWRCNJ-MGPUTAFESA-N -2 3 392.452 1.595 20 0 GDADHL CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC001596850727 985577013 /nfs/dbraw/zinc/57/70/13/985577013.db2.gz RYOQMLPVKNRBHB-JRIBOLAGSA-N -2 3 394.243 1.976 20 0 GDADHL CC(=O)c1[nH]c(CC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c(C(=O)[O-])c1C ZINC001589237443 985807791 /nfs/dbraw/zinc/80/77/91/985807791.db2.gz GCXNRAQCCFBOQQ-ZCFIWIBFSA-N -2 3 387.318 1.781 20 0 GDADHL CC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)cc1[O-] ZINC001589277177 985992349 /nfs/dbraw/zinc/99/23/49/985992349.db2.gz GEAIENKCYDFDPI-UHFFFAOYSA-N -2 3 377.374 1.949 20 0 GDADHL CC(C)(C(=O)[O-])[C@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC001589594404 987410856 /nfs/dbraw/zinc/41/08/56/987410856.db2.gz OIESRNXIFWYPFT-WMLDXEAASA-N -2 3 399.451 1.912 20 0 GDADHL CC(C)(C)OC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC001590014398 988979204 /nfs/dbraw/zinc/97/92/04/988979204.db2.gz ALNJQWWGRFNCSE-SNVBAGLBSA-N -2 3 388.446 1.033 20 0 GDADHL COc1cccc2c(C(=O)O[C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)n[n-]c21 ZINC001599689529 991045156 /nfs/dbraw/zinc/04/51/56/991045156.db2.gz ONECNKCNWWSCAR-JTQLQIEISA-N -2 3 375.381 1.440 20 0 GDADHL CN(C)[S@](=O)(=NS(=O)(=O)[N-]Cc1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001598256090 991063363 /nfs/dbraw/zinc/06/33/63/991063363.db2.gz CSHLIMSNEDWZPR-RUZDIDTESA-N -2 3 398.466 1.118 20 0 GDADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)ONC(=O)OC(C)(C)C ZINC001590990369 991207051 /nfs/dbraw/zinc/20/70/51/991207051.db2.gz YAQCIICIQAZFKE-LLVKDONJSA-N -2 3 392.430 1.737 20 0 GDADHL C[S@@](=O)(=NS(=O)(=O)[N-]C1(C(=O)[O-])CC1)c1cccc(Br)c1 ZINC001599743576 991897033 /nfs/dbraw/zinc/89/70/33/991897033.db2.gz IEGZOOIEEOGTEI-FQEVSTJZSA-N -2 3 397.272 1.357 20 0 GDADHL C[S@](=O)(=NS(=O)(=O)[N-][C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1)c1ccccc1F ZINC001599744429 991908766 /nfs/dbraw/zinc/90/87/66/991908766.db2.gz XPAZWXKCQGLPDN-LTSCFSKKSA-N -2 3 376.431 1.370 20 0 GDADHL C[S@](=O)(=NS(=O)(=O)[N-]C1(C(=O)[O-])CCSCC1)C1CCCCC1 ZINC001599744498 991909932 /nfs/dbraw/zinc/90/99/32/991909932.db2.gz ZXDZJMQZPQKIRM-JOCHJYFZSA-N -2 3 384.545 1.602 20 0 GDADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC001599759726 992104155 /nfs/dbraw/zinc/10/41/55/992104155.db2.gz CGRRPFPXJWZXDO-NSHDSACASA-N -2 3 387.433 1.497 20 0 GDADHL CC(C)C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC001591432400 992529107 /nfs/dbraw/zinc/52/91/07/992529107.db2.gz WHLUMFJMDVZBIF-ZDUSSCGKSA-N -2 3 396.462 1.317 20 0 GDADHL Cn1cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCN(C)CC1 ZINC001598622876 994035355 /nfs/dbraw/zinc/03/53/55/994035355.db2.gz JAAOVRIRYDUBPH-UHFFFAOYSA-N -2 3 378.454 1.276 20 0 GDADHL CNC(=O)[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C(C)C ZINC001598655894 994521813 /nfs/dbraw/zinc/52/18/13/994521813.db2.gz MLPCPMOMCIAMDR-QMMMGPOBSA-N -2 3 399.288 1.258 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)c(C)o1 ZINC001598673504 994799540 /nfs/dbraw/zinc/79/95/40/994799540.db2.gz QWHVDZJJAIVUBK-INIZCTEOSA-N -2 3 381.410 1.011 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)[O-])c(OC)c2)ccc1F ZINC001598674737 994821913 /nfs/dbraw/zinc/82/19/13/994821913.db2.gz UWUMULUJYSOTBG-UHFFFAOYSA-N -2 3 396.396 1.371 20 0 GDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br)[C@H]1CCOC1 ZINC001593325657 994866198 /nfs/dbraw/zinc/86/61/98/994866198.db2.gz BLOIEPUFUWJKLQ-YUMQZZPRSA-N -2 3 396.234 1.990 20 0 GDADHL C[C@]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)(C(N)=O)c1ccccc1 ZINC001593330590 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BLRIFEVOURGMOS-UHFFFAOYSA-N -2 3 394.351 1.744 20 0 GDADHL COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000737031400 598286986 /nfs/dbraw/zinc/28/69/86/598286986.db2.gz BLRIFEVOURGMOS-UHFFFAOYSA-N -2 3 394.351 1.744 20 0 GDADHL CC(C)c1nc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000735941015 598362976 /nfs/dbraw/zinc/36/29/76/598362976.db2.gz VGVMYAMLBKUQHK-UHFFFAOYSA-N -2 3 392.466 1.706 20 0 GDADHL CC(C)c1nc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000735941015 598362978 /nfs/dbraw/zinc/36/29/78/598362978.db2.gz VGVMYAMLBKUQHK-UHFFFAOYSA-N -2 3 392.466 1.706 20 0 GDADHL O=C([O-])COc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000738212702 598380806 /nfs/dbraw/zinc/38/08/06/598380806.db2.gz YUEDDKIFVRGCAX-DHDCSXOGSA-N -2 3 391.343 1.675 20 0 GDADHL O=C([O-])COc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000738212702 598380808 /nfs/dbraw/zinc/38/08/08/598380808.db2.gz YUEDDKIFVRGCAX-DHDCSXOGSA-N -2 3 391.343 1.675 20 0 GDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737312221 598415338 /nfs/dbraw/zinc/41/53/38/598415338.db2.gz GYVJSZWOZZRQDU-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737312221 598415339 /nfs/dbraw/zinc/41/53/39/598415339.db2.gz GYVJSZWOZZRQDU-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1C ZINC000737314452 598415366 /nfs/dbraw/zinc/41/53/66/598415366.db2.gz DQPVPNYEZVPRPH-UHFFFAOYSA-N -2 3 380.817 1.286 20 0 GDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1C ZINC000737314452 598415367 /nfs/dbraw/zinc/41/53/67/598415367.db2.gz DQPVPNYEZVPRPH-UHFFFAOYSA-N -2 3 380.817 1.286 20 0 GDADHL CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000737173137 598512803 /nfs/dbraw/zinc/51/28/03/598512803.db2.gz GYVSZSWNGAEVAM-UHFFFAOYSA-N -2 3 379.423 1.071 20 0 GDADHL CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000737173137 598512805 /nfs/dbraw/zinc/51/28/05/598512805.db2.gz GYVSZSWNGAEVAM-UHFFFAOYSA-N -2 3 379.423 1.071 20 0 GDADHL O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1)C1CC1 ZINC000738174613 598566255 /nfs/dbraw/zinc/56/62/55/598566255.db2.gz UWXQQGNDSHVTJB-UHFFFAOYSA-N -2 3 385.409 1.411 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736949407 598593272 /nfs/dbraw/zinc/59/32/72/598593272.db2.gz RTUBOACHRUZUTF-UHFFFAOYSA-N -2 3 377.357 1.593 20 0 GDADHL O=S(=O)([N-]c1cnc(C2CC2)nc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738338660 598663994 /nfs/dbraw/zinc/66/39/94/598663994.db2.gz HNXULAIYWOCFSC-UHFFFAOYSA-N -2 3 377.817 1.988 20 0 GDADHL O=S(=O)([N-]c1cnc(C2CC2)nc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738338660 598663996 /nfs/dbraw/zinc/66/39/96/598663996.db2.gz HNXULAIYWOCFSC-UHFFFAOYSA-N -2 3 377.817 1.988 20 0 GDADHL C[C@H]1CCC[C@@H](OCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736262953 598801978 /nfs/dbraw/zinc/80/19/78/598801978.db2.gz OIANPVILGMXXLH-SWLSCSKDSA-N -2 3 393.469 1.408 20 0 GDADHL C[C@H]1CCC[C@@H](OCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736262953 598801979 /nfs/dbraw/zinc/80/19/79/598801979.db2.gz OIANPVILGMXXLH-SWLSCSKDSA-N -2 3 393.469 1.408 20 0 GDADHL O=C([O-])c1ccc2cccnc2c1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738213848 598807686 /nfs/dbraw/zinc/80/76/86/598807686.db2.gz IOMPHZOYMHPNSF-UHFFFAOYSA-N -3 3 396.388 1.914 20 0 GDADHL O=C([O-])c1ccc2cccnc2c1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738213848 598807687 /nfs/dbraw/zinc/80/76/87/598807687.db2.gz IOMPHZOYMHPNSF-UHFFFAOYSA-N -3 3 396.388 1.914 20 0 GDADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000736948649 599303629 /nfs/dbraw/zinc/30/36/29/599303629.db2.gz LHUMCXCYXSDDBP-UHFFFAOYSA-N -2 3 394.800 1.503 20 0 GDADHL CCc1nnnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736711333 599315091 /nfs/dbraw/zinc/31/50/91/599315091.db2.gz WHCFVFXJHRWPDO-UHFFFAOYSA-N -2 3 397.424 1.206 20 0 GDADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822414767 607376744 /nfs/dbraw/zinc/37/67/44/607376744.db2.gz SSTMBKFOOWHGFH-UHFFFAOYSA-N -2 3 377.430 1.795 20 0 GDADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822414767 607376746 /nfs/dbraw/zinc/37/67/46/607376746.db2.gz SSTMBKFOOWHGFH-UHFFFAOYSA-N -2 3 377.430 1.795 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)cn1 ZINC000822154026 607382222 /nfs/dbraw/zinc/38/22/22/607382222.db2.gz STZISXMBDNXKFJ-UHFFFAOYSA-N -2 3 399.436 1.498 20 0 GDADHL C[C@@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)O1 ZINC000820690483 599619890 /nfs/dbraw/zinc/61/98/90/599619890.db2.gz MVYZXGMUIZMCTD-DGCLKSJQSA-N -2 3 379.442 1.160 20 0 GDADHL C[C@@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)O1 ZINC000820690483 599619891 /nfs/dbraw/zinc/61/98/91/599619891.db2.gz MVYZXGMUIZMCTD-DGCLKSJQSA-N -2 3 379.442 1.160 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000823285461 599620211 /nfs/dbraw/zinc/62/02/11/599620211.db2.gz UDDAIARARPTGJE-QFBILLFUSA-N -2 3 395.444 1.576 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000823285461 599620212 /nfs/dbraw/zinc/62/02/12/599620212.db2.gz UDDAIARARPTGJE-QFBILLFUSA-N -2 3 395.444 1.576 20 0 GDADHL O=C(CCC(=O)c1ccccc1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822950297 599620241 /nfs/dbraw/zinc/62/02/41/599620241.db2.gz IYYCSGVNQOJFDE-UHFFFAOYSA-N -2 3 399.432 1.476 20 0 GDADHL O=C(CCC(=O)c1ccccc1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822950297 599620242 /nfs/dbraw/zinc/62/02/42/599620242.db2.gz IYYCSGVNQOJFDE-UHFFFAOYSA-N -2 3 399.432 1.476 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000823285459 599620331 /nfs/dbraw/zinc/62/03/31/599620331.db2.gz UDDAIARARPTGJE-LPHOPBHVSA-N -2 3 395.444 1.576 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000823285459 599620332 /nfs/dbraw/zinc/62/03/32/599620332.db2.gz UDDAIARARPTGJE-LPHOPBHVSA-N -2 3 395.444 1.576 20 0 GDADHL Cc1ncsc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822482297 599623000 /nfs/dbraw/zinc/62/30/00/599623000.db2.gz OZCBBQPCMKYFNO-UHFFFAOYSA-N -2 3 384.830 1.404 20 0 GDADHL Cc1ncsc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822482297 599623001 /nfs/dbraw/zinc/62/30/01/599623001.db2.gz OZCBBQPCMKYFNO-UHFFFAOYSA-N -2 3 384.830 1.404 20 0 GDADHL Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)o1 ZINC000822227344 599625177 /nfs/dbraw/zinc/62/51/77/599625177.db2.gz FRHRVZRNQKIRGK-LLVKDONJSA-N -2 3 375.410 1.685 20 0 GDADHL Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)o1 ZINC000822227344 599625178 /nfs/dbraw/zinc/62/51/78/599625178.db2.gz FRHRVZRNQKIRGK-LLVKDONJSA-N -2 3 375.410 1.685 20 0 GDADHL COc1ccccc1S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821904094 599625717 /nfs/dbraw/zinc/62/57/17/599625717.db2.gz POIARORGKOYWRX-UHFFFAOYSA-N -2 3 387.421 1.313 20 0 GDADHL COc1ccccc1S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821904094 599625718 /nfs/dbraw/zinc/62/57/18/599625718.db2.gz POIARORGKOYWRX-UHFFFAOYSA-N -2 3 387.421 1.313 20 0 GDADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000517924006 599853926 /nfs/dbraw/zinc/85/39/26/599853926.db2.gz XKQLXGBHEUFBHV-UHFFFAOYSA-N -2 3 394.405 1.076 20 0 GDADHL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1F ZINC000826268116 607403187 /nfs/dbraw/zinc/40/31/87/607403187.db2.gz KKJPMAXCBPPBEV-UHFFFAOYSA-N -2 3 393.375 1.880 20 0 GDADHL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1F ZINC000826268116 607403189 /nfs/dbraw/zinc/40/31/89/607403189.db2.gz KKJPMAXCBPPBEV-UHFFFAOYSA-N -2 3 393.375 1.880 20 0 GDADHL Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)nc(C)n1 ZINC000738408817 599978112 /nfs/dbraw/zinc/97/81/12/599978112.db2.gz NTEWAXAKOJUGCD-LBPRGKRZSA-N -2 3 380.426 1.332 20 0 GDADHL Cc1cccc(C[C@H](CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])c1 ZINC000738708382 600009559 /nfs/dbraw/zinc/00/95/59/600009559.db2.gz NOXLJRUBACNTPM-CYBMUJFWSA-N -2 3 381.388 1.944 20 0 GDADHL CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000737131449 600227588 /nfs/dbraw/zinc/22/75/88/600227588.db2.gz BYLMGQHQQMXEJC-QGZVFWFLSA-N -2 3 391.445 1.979 20 0 GDADHL CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000737131446 600227614 /nfs/dbraw/zinc/22/76/14/600227614.db2.gz BYLMGQHQQMXEJC-KRWDZBQOSA-N -2 3 391.445 1.979 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000737579654 600232346 /nfs/dbraw/zinc/23/23/46/600232346.db2.gz QXUAZUGEQHZJEA-INIZCTEOSA-N -2 3 393.417 1.727 20 0 GDADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)CCC(=O)[O-])cc1 ZINC000568389385 600443635 /nfs/dbraw/zinc/44/36/35/600443635.db2.gz GADVESUNJDTHGB-UHFFFAOYSA-N -2 3 392.499 1.714 20 0 GDADHL Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738839804 600627370 /nfs/dbraw/zinc/62/73/70/600627370.db2.gz 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Cc1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000822471988 606340148 /nfs/dbraw/zinc/34/01/48/606340148.db2.gz NCOQIPGNPJQBAL-UHFFFAOYSA-N -2 3 385.331 1.785 20 0 GDADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000821765834 606430644 /nfs/dbraw/zinc/43/06/44/606430644.db2.gz LXHOBVHCXUFCSY-UHFFFAOYSA-N -3 3 393.356 1.513 20 0 GDADHL O=C([N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1)C1CC=CC1 ZINC000823284145 606654796 /nfs/dbraw/zinc/65/47/96/606654796.db2.gz DJXSFGUKHCRXIE-UHFFFAOYSA-N -2 3 398.242 1.400 20 0 GDADHL O=C([N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1)C1CC=CC1 ZINC000823284145 606654797 /nfs/dbraw/zinc/65/47/97/606654797.db2.gz DJXSFGUKHCRXIE-UHFFFAOYSA-N -2 3 398.242 1.400 20 0 GDADHL COC(=O)c1nscc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821671331 606707136 /nfs/dbraw/zinc/70/71/36/606707136.db2.gz RKEGHBIRVXKFKR-UHFFFAOYSA-N -2 3 384.374 1.050 20 0 GDADHL COC(=O)c1nscc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821671331 606707137 /nfs/dbraw/zinc/70/71/37/606707137.db2.gz RKEGHBIRVXKFKR-UHFFFAOYSA-N -2 3 384.374 1.050 20 0 GDADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3nn(C)cc3-c3nnn[n-]3)cc(Cl)c2O1 ZINC000820813505 606708412 /nfs/dbraw/zinc/70/84/12/606708412.db2.gz IRRMROVFLURLSA-SSDOTTSWSA-N -2 3 395.832 1.378 20 0 GDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000822622342 606711413 /nfs/dbraw/zinc/71/14/13/606711413.db2.gz BQTDOCAGMBINRL-UHFFFAOYSA-N -2 3 375.414 1.115 20 0 GDADHL O=C(Cc1c(F)cccc1F)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823074394 606748165 /nfs/dbraw/zinc/74/81/65/606748165.db2.gz QPDBQXDJBMCDJH-UHFFFAOYSA-N -2 3 393.375 1.334 20 0 GDADHL O=C(Cc1c(F)cccc1F)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823074394 606748167 /nfs/dbraw/zinc/74/81/67/606748167.db2.gz QPDBQXDJBMCDJH-UHFFFAOYSA-N -2 3 393.375 1.334 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cc1c(F)cccc1F ZINC000822222360 606749306 /nfs/dbraw/zinc/74/93/06/606749306.db2.gz DTDHUSRZIIHXGK-UHFFFAOYSA-N -2 3 393.375 1.501 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cc1c(F)cccc1F ZINC000822222360 606749308 /nfs/dbraw/zinc/74/93/08/606749308.db2.gz DTDHUSRZIIHXGK-UHFFFAOYSA-N -2 3 393.375 1.501 20 0 GDADHL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1F ZINC000822284354 606760349 /nfs/dbraw/zinc/76/03/49/606760349.db2.gz PTVFHTQRRSCARP-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1F ZINC000822284354 606760351 /nfs/dbraw/zinc/76/03/51/606760351.db2.gz PTVFHTQRRSCARP-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000822283859 606763824 /nfs/dbraw/zinc/76/38/24/606763824.db2.gz FONBRDWJPJDHEF-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822283859 606763826 /nfs/dbraw/zinc/76/38/26/606763826.db2.gz FONBRDWJPJDHEF-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000823387163 606764065 /nfs/dbraw/zinc/76/40/65/606764065.db2.gz FDROVHDELFVOLY-UHFFFAOYSA-N -3 3 399.310 1.783 20 0 GDADHL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000823387163 606764067 /nfs/dbraw/zinc/76/40/67/606764067.db2.gz FDROVHDELFVOLY-UHFFFAOYSA-N -3 3 399.310 1.783 20 0 GDADHL Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1C(=O)[O-] ZINC000822326893 606765147 /nfs/dbraw/zinc/76/51/47/606765147.db2.gz CTNGXXMQQDSIBW-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1C(=O)[O-] ZINC000822326893 606765148 /nfs/dbraw/zinc/76/51/48/606765148.db2.gz CTNGXXMQQDSIBW-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822266710 606825467 /nfs/dbraw/zinc/82/54/67/606825467.db2.gz FPVCUZVLUNESBA-UHFFFAOYSA-N -2 3 396.436 1.287 20 0 GDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822885927 606865007 /nfs/dbraw/zinc/86/50/07/606865007.db2.gz VRRWYGJSNRQDRX-UHFFFAOYSA-N -2 3 380.336 1.045 20 0 GDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822885927 606865008 /nfs/dbraw/zinc/86/50/08/606865008.db2.gz VRRWYGJSNRQDRX-UHFFFAOYSA-N -2 3 380.336 1.045 20 0 GDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000823387627 606866716 /nfs/dbraw/zinc/86/67/16/606866716.db2.gz RHNMEHPLQAYWGL-UHFFFAOYSA-N -3 3 395.347 1.573 20 0 GDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000823387627 606866718 /nfs/dbraw/zinc/86/67/18/606866718.db2.gz RHNMEHPLQAYWGL-UHFFFAOYSA-N -3 3 395.347 1.573 20 0 GDADHL COc1ccccc1CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821890224 606885015 /nfs/dbraw/zinc/88/50/15/606885015.db2.gz JZSQGMXZGPICDW-UHFFFAOYSA-N -2 3 395.391 1.675 20 0 GDADHL Cc1csc(CC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000822409833 606885650 /nfs/dbraw/zinc/88/56/50/606885650.db2.gz VTPZFCWHQLJBAN-UHFFFAOYSA-N -2 3 386.409 1.431 20 0 GDADHL Cc1cc(F)c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822201958 606886653 /nfs/dbraw/zinc/88/66/53/606886653.db2.gz DNNLERAAMZXQHK-UHFFFAOYSA-N -2 3 393.375 1.713 20 0 GDADHL Cc1cc(F)c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822201958 606886654 /nfs/dbraw/zinc/88/66/54/606886654.db2.gz DNNLERAAMZXQHK-UHFFFAOYSA-N -2 3 393.375 1.713 20 0 GDADHL O=S(=O)([N-]Cc1ccc2c(c1)CCO2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578143 606889722 /nfs/dbraw/zinc/88/97/22/606889722.db2.gz ITVBKILCFXRYMU-UHFFFAOYSA-N -2 3 393.375 1.558 20 0 GDADHL COc1cccc(CC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000821867650 606896140 /nfs/dbraw/zinc/89/61/40/606896140.db2.gz HXAFDVXDVBFYIF-UHFFFAOYSA-N -2 3 396.379 1.070 20 0 GDADHL O=C([O-])Cn1c(C=Cc2ccc(-c3nnn[n-]3)s2)nc2ccccc2c1=O ZINC000823387483 606977688 /nfs/dbraw/zinc/97/76/88/606977688.db2.gz LVXYXKRMZHFRME-SOFGYWHQSA-N -2 3 380.389 1.893 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000820542040 607103296 /nfs/dbraw/zinc/10/32/96/607103296.db2.gz LDMQMHZQEUOSPR-WBMJQRKESA-N -2 3 393.403 1.672 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000820542040 607103297 /nfs/dbraw/zinc/10/32/97/607103297.db2.gz LDMQMHZQEUOSPR-WBMJQRKESA-N -2 3 393.403 1.672 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000820542477 607105980 /nfs/dbraw/zinc/10/59/80/607105980.db2.gz OMCRYDVSNJDEPU-MPBGBICISA-N -2 3 393.403 1.677 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000820542477 607105982 /nfs/dbraw/zinc/10/59/82/607105982.db2.gz OMCRYDVSNJDEPU-MPBGBICISA-N -2 3 393.403 1.677 20 0 GDADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1 ZINC000821700023 607106571 /nfs/dbraw/zinc/10/65/71/607106571.db2.gz AVIYPWAJWJSYKV-KRWDZBQOSA-N -2 3 397.391 1.538 20 0 GDADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000821701179 607109214 /nfs/dbraw/zinc/10/92/14/607109214.db2.gz DTZUNBNIGSYRQZ-UHFFFAOYSA-N -2 3 383.364 1.520 20 0 GDADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000821701179 607109215 /nfs/dbraw/zinc/10/92/15/607109215.db2.gz DTZUNBNIGSYRQZ-UHFFFAOYSA-N -2 3 383.364 1.520 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000820543146 607110464 /nfs/dbraw/zinc/11/04/64/607110464.db2.gz UXSTZLNFKVJRAE-IUODEOHRSA-N -2 3 381.392 1.619 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000820543146 607110465 /nfs/dbraw/zinc/11/04/65/607110465.db2.gz UXSTZLNFKVJRAE-IUODEOHRSA-N -2 3 381.392 1.619 20 0 GDADHL Cc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C(=O)[O-])cc1 ZINC000822230521 607110884 /nfs/dbraw/zinc/11/08/84/607110884.db2.gz JETUOAFNMBTRLZ-BBRMVZONSA-N -2 3 395.419 1.927 20 0 GDADHL Cc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C(=O)[O-])cc1 ZINC000822230521 607110886 /nfs/dbraw/zinc/11/08/86/607110886.db2.gz JETUOAFNMBTRLZ-BBRMVZONSA-N -2 3 395.419 1.927 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2cccnc12 ZINC000821838013 607122408 /nfs/dbraw/zinc/12/24/08/607122408.db2.gz JGVIBKDQRPXZFW-UHFFFAOYSA-N -2 3 383.393 1.619 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2cccnc12 ZINC000821838013 607122410 /nfs/dbraw/zinc/12/24/10/607122410.db2.gz JGVIBKDQRPXZFW-UHFFFAOYSA-N -2 3 383.393 1.619 20 0 GDADHL Cc1noc(C)c1[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826338013 607837102 /nfs/dbraw/zinc/83/71/02/607837102.db2.gz IQENALUXWXQFLF-SECBINFHSA-N -2 3 390.425 1.470 20 0 GDADHL Cc1noc(C)c1[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826338013 607837103 /nfs/dbraw/zinc/83/71/03/607837103.db2.gz IQENALUXWXQFLF-SECBINFHSA-N -2 3 390.425 1.470 20 0 GDADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000825480725 607846147 /nfs/dbraw/zinc/84/61/47/607846147.db2.gz HXXXVLUATKTHFD-UHFFFAOYSA-N -2 3 394.848 1.730 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000826462142 607847274 /nfs/dbraw/zinc/84/72/74/607847274.db2.gz PHHUCVBNVNSCCK-UHFFFAOYSA-N -3 3 381.320 1.644 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000826462142 607847275 /nfs/dbraw/zinc/84/72/75/607847275.db2.gz PHHUCVBNVNSCCK-UHFFFAOYSA-N -3 3 381.320 1.644 20 0 GDADHL CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000826004221 607933439 /nfs/dbraw/zinc/93/34/39/607933439.db2.gz OIXDVXGQLOHYPZ-UHFFFAOYSA-N -2 3 395.347 1.668 20 0 GDADHL CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000826004221 607933440 /nfs/dbraw/zinc/93/34/40/607933440.db2.gz OIXDVXGQLOHYPZ-UHFFFAOYSA-N -2 3 395.347 1.668 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(F)c1 ZINC000826462108 607933610 /nfs/dbraw/zinc/93/36/10/607933610.db2.gz OPSGZOGLCUVUTM-UHFFFAOYSA-N -2 3 389.368 1.455 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(F)c1 ZINC000826462108 607933611 /nfs/dbraw/zinc/93/36/11/607933611.db2.gz OPSGZOGLCUVUTM-UHFFFAOYSA-N -2 3 389.368 1.455 20 0 GDADHL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826461478 607982955 /nfs/dbraw/zinc/98/29/55/607982955.db2.gz WOVFQQHHNDPOOP-UHFFFAOYSA-N -3 3 388.409 1.470 20 0 GDADHL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826461478 607982956 /nfs/dbraw/zinc/98/29/56/607982956.db2.gz WOVFQQHHNDPOOP-UHFFFAOYSA-N -3 3 388.409 1.470 20 0 GDADHL COC1CCC(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826144521 607985209 /nfs/dbraw/zinc/98/52/09/607985209.db2.gz LSQAQPRBMIIYJN-UHFFFAOYSA-N -2 3 379.442 1.267 20 0 GDADHL COC1CCC(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826144521 607985210 /nfs/dbraw/zinc/98/52/10/607985210.db2.gz LSQAQPRBMIIYJN-UHFFFAOYSA-N -2 3 379.442 1.267 20 0 GDADHL O=C(CCc1ccncc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826409033 607991377 /nfs/dbraw/zinc/99/13/77/607991377.db2.gz FXEAIPYAPQVSIS-UHFFFAOYSA-N -2 3 392.828 1.353 20 0 GDADHL O=C(CCc1ccncc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826409033 607991378 /nfs/dbraw/zinc/99/13/78/607991378.db2.gz FXEAIPYAPQVSIS-UHFFFAOYSA-N -2 3 392.828 1.353 20 0 GDADHL O=C([O-])C1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC000826461174 608011589 /nfs/dbraw/zinc/01/15/89/608011589.db2.gz JJPSBHZBIRXISE-UHFFFAOYSA-N -3 3 387.368 1.211 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1cn(C)c2ccccc12 ZINC000826249834 608076367 /nfs/dbraw/zinc/07/63/67/608076367.db2.gz XIDXSZXRHYIMGB-UHFFFAOYSA-N -2 3 396.432 1.786 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1cn(C)c2ccccc12 ZINC000826249834 608076368 /nfs/dbraw/zinc/07/63/68/608076368.db2.gz XIDXSZXRHYIMGB-UHFFFAOYSA-N -2 3 396.432 1.786 20 0 GDADHL O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)c(Cl)c3)cc21 ZINC000826483527 608107999 /nfs/dbraw/zinc/10/79/99/608107999.db2.gz QNARCMDCZCRTBM-UHFFFAOYSA-N -2 3 391.796 1.991 20 0 GDADHL COc1cccc(CS(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000826217015 608144871 /nfs/dbraw/zinc/14/48/71/608144871.db2.gz WHXXCQXCSLEVAC-UHFFFAOYSA-N -2 3 379.423 1.197 20 0 GDADHL COc1cccc(CS(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000826217015 608144872 /nfs/dbraw/zinc/14/48/72/608144872.db2.gz WHXXCQXCSLEVAC-UHFFFAOYSA-N -2 3 379.423 1.197 20 0 GDADHL COc1cccc(CS(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000826216904 608144879 /nfs/dbraw/zinc/14/48/79/608144879.db2.gz ROTWQLJRNTWHFT-UHFFFAOYSA-N -2 3 379.423 1.197 20 0 GDADHL COc1cccc(CS(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000826216904 608144880 /nfs/dbraw/zinc/14/48/80/608144880.db2.gz ROTWQLJRNTWHFT-UHFFFAOYSA-N -2 3 379.423 1.197 20 0 GDADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000826281402 608227740 /nfs/dbraw/zinc/22/77/40/608227740.db2.gz PXDHYVACVLXRRV-UHFFFAOYSA-N -2 3 398.246 1.472 20 0 GDADHL O=S(=O)([N-]c1cccnc1OCC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826493198 608237547 /nfs/dbraw/zinc/23/75/47/608237547.db2.gz XWJIGXCLDGUGJX-UHFFFAOYSA-N -2 3 382.352 1.706 20 0 GDADHL O=S(=O)([N-]c1cccnc1OCC(F)F)c1ccc(-c2nn[n-]n2)cc1 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O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](F)Cc1ccccc1 ZINC000826450592 609387598 /nfs/dbraw/zinc/38/75/98/609387598.db2.gz TUCBLSRZLHCFBK-AWEZNQCLSA-N -2 3 375.385 1.252 20 0 GDADHL CC[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825183740 609399163 /nfs/dbraw/zinc/39/91/63/609399163.db2.gz PMGZRCJCXNGAED-DGCLKSJQSA-N -2 3 379.442 1.267 20 0 GDADHL CC[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825183740 609399167 /nfs/dbraw/zinc/39/91/67/609399167.db2.gz PMGZRCJCXNGAED-DGCLKSJQSA-N -2 3 379.442 1.267 20 0 GDADHL COCCS(=O)(=O)[N-]c1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826163088 609456791 /nfs/dbraw/zinc/45/67/91/609456791.db2.gz FYCMWUKADCRXJC-UHFFFAOYSA-N -2 3 383.821 1.094 20 0 GDADHL COCCS(=O)(=O)[N-]c1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826163088 609456794 /nfs/dbraw/zinc/45/67/94/609456794.db2.gz FYCMWUKADCRXJC-UHFFFAOYSA-N -2 3 383.821 1.094 20 0 GDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CSCC=C(C)C)C(=O)[O-] ZINC000547935309 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GDADHL C[C@@](NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)(C(=O)[O-])C1CC1 ZINC000780694743 654790968 /nfs/dbraw/zinc/79/09/68/654790968.db2.gz IYYIJQDLSKHCEA-ZDUSSCGKSA-N -2 3 395.890 1.232 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c(C)o1 ZINC000749220575 654825680 /nfs/dbraw/zinc/82/56/80/654825680.db2.gz JFIGLCLGVPTBBF-UHFFFAOYSA-N -2 3 390.414 1.526 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)C23CCC(CC2)C3)cc1F ZINC000784896173 654899926 /nfs/dbraw/zinc/89/99/26/654899926.db2.gz JIOVZFBERBYFQH-UHFFFAOYSA-N -2 3 390.458 1.582 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)C2CCSCC2)cc1F ZINC000784898491 654900150 /nfs/dbraw/zinc/90/01/50/654900150.db2.gz YARFVAPPAKEUCA-UHFFFAOYSA-N -2 3 396.487 1.145 20 0 GDADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)o1 ZINC000784898734 654900186 /nfs/dbraw/zinc/90/01/86/654900186.db2.gz NEKSKYAMVARPPJ-UHFFFAOYSA-N -2 3 390.414 1.146 20 0 GDADHL O=C([N-]CC1CN(C(=O)c2ccc(Br)c([O-])c2)C1)C(F)(F)F ZINC000831134677 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C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000269079768 531606528 /nfs/dbraw/zinc/60/65/28/531606528.db2.gz FCBAMXVBGRCKOR-SECBINFHSA-N -2 3 376.862 1.962 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2scnc2C)cc1F ZINC000559926157 531615453 /nfs/dbraw/zinc/61/54/53/531615453.db2.gz BSXUSMORMBCANV-NSHDSACASA-N -2 3 388.398 1.481 20 0 GDADHL O=C([O-])CCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000269178751 531620121 /nfs/dbraw/zinc/62/01/21/531620121.db2.gz KMZCFCWZHYEXMW-NSHDSACASA-N -2 3 390.845 1.002 20 0 GDADHL COC1CCC([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000416540090 531670981 /nfs/dbraw/zinc/67/09/81/531670981.db2.gz GGEXTWWRNPOMIL-UHFFFAOYSA-N -2 3 380.463 1.433 20 0 GDADHL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000502491616 531681384 /nfs/dbraw/zinc/68/13/84/531681384.db2.gz KLYIMXSBPRTKGJ-UHFFFAOYSA-N -2 3 398.388 1.967 20 0 GDADHL Cc1nc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])c(-c2ccccc2)s1 ZINC000663287004 531709231 /nfs/dbraw/zinc/70/92/31/531709231.db2.gz VFNBUHHEUGEZPL-NSHDSACASA-N -3 3 384.435 1.715 20 0 GDADHL CS(=O)(=O)c1ccc(F)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000507725919 531749507 /nfs/dbraw/zinc/74/95/07/531749507.db2.gz NPTIERZBSGILNM-UHFFFAOYSA-N -2 3 393.439 1.467 20 0 GDADHL COCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)C(=O)[O-] ZINC000417430136 531769911 /nfs/dbraw/zinc/76/99/11/531769911.db2.gz OPUREWRHSBXSCP-MRVPVSSYSA-N -2 3 382.232 1.226 20 0 GDADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)C(=O)[O-] ZINC000297340191 531783212 /nfs/dbraw/zinc/78/32/12/531783212.db2.gz YIXCSXKLNHTNLW-MRVPVSSYSA-N -2 3 386.209 1.297 20 0 GDADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000297289536 531777574 /nfs/dbraw/zinc/77/75/74/531777574.db2.gz UVBOBLUNSZMAMC-MRVPVSSYSA-N -2 3 393.439 1.243 20 0 GDADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCOCC1 ZINC000562939451 531790337 /nfs/dbraw/zinc/79/03/37/531790337.db2.gz BOLVJHBSCKFDMS-UHFFFAOYSA-N -2 3 385.772 1.854 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC2(OC)CCC2)C(=O)[O-])oc1C ZINC000593274845 531825864 /nfs/dbraw/zinc/82/58/64/531825864.db2.gz CLJDWNHEQGWMGM-LLVKDONJSA-N -2 3 375.399 1.065 20 0 GDADHL Cc1nc(C[N-]S(=O)(=O)c2cccc3c2OCCCO3)sc1C(=O)[O-] ZINC000650437968 531930239 /nfs/dbraw/zinc/93/02/39/531930239.db2.gz JJOZSJWEAYEHIQ-UHFFFAOYSA-N -2 3 384.435 1.790 20 0 GDADHL C[C@@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1ccccn1 ZINC000657040150 531988844 /nfs/dbraw/zinc/98/88/44/531988844.db2.gz SRMAMBITXMOSRT-NSHDSACASA-N -2 3 387.458 1.674 20 0 GDADHL CCOC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c(F)cc1C ZINC000285169972 532040442 /nfs/dbraw/zinc/04/04/42/532040442.db2.gz PTINHRFWWFHVDP-JTQLQIEISA-N -2 3 383.344 1.698 20 0 GDADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2S(=O)(=O)[N-]C)cn1 ZINC000578408390 532047773 /nfs/dbraw/zinc/04/77/73/532047773.db2.gz YYMLBJJIELTKKI-UHFFFAOYSA-N -2 3 389.430 1.328 20 0 GDADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1cnn(CC(F)F)c1)C(F)(F)F ZINC000285253934 532055175 /nfs/dbraw/zinc/05/51/75/532055175.db2.gz UWAIYAWLLMNPHM-SSDOTTSWSA-N -2 3 379.307 1.470 20 0 GDADHL COCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000271854864 532059510 /nfs/dbraw/zinc/05/95/10/532059510.db2.gz HYOIPIRBAWSLRS-UHFFFAOYSA-N -2 3 375.428 1.172 20 0 GDADHL C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@H]1C(=O)[O-] ZINC000424374761 532089208 /nfs/dbraw/zinc/08/92/08/532089208.db2.gz ZOHXINVYMPFOFN-PRHODGIISA-N -2 3 385.833 1.394 20 0 GDADHL C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@H]1C(=O)[O-] ZINC000424374761 532089215 /nfs/dbraw/zinc/08/92/15/532089215.db2.gz ZOHXINVYMPFOFN-PRHODGIISA-N -2 3 385.833 1.394 20 0 GDADHL C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273767743 532169557 /nfs/dbraw/zinc/16/95/57/532169557.db2.gz XCBXKWCKDJDPJM-LURJTMIESA-N -2 3 395.260 1.167 20 0 GDADHL C[C@H](C[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1)CN1CCOCC1 ZINC000273784368 532170061 /nfs/dbraw/zinc/17/00/61/532170061.db2.gz ZJCDGVYEEHSIMT-SNVBAGLBSA-N -2 3 394.852 1.424 20 0 GDADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000274238110 532197519 /nfs/dbraw/zinc/19/75/19/532197519.db2.gz VLUWDENIJDFNDR-NSHDSACASA-N -2 3 381.376 1.700 20 0 GDADHL COc1cccc(CSC[C@H]([N-]S(=O)(=O)c2cn(C)cn2)C(=O)[O-])c1 ZINC000274929625 532243613 /nfs/dbraw/zinc/24/36/13/532243613.db2.gz CEUAFRZIULGVAB-ZDUSSCGKSA-N -2 3 385.467 1.094 20 0 GDADHL CS(=O)(=O)c1cc(S(=O)(=O)[N-]CCCCC(=O)[O-])c(Cl)s1 ZINC000274951911 532245859 /nfs/dbraw/zinc/24/58/59/532245859.db2.gz STGJOHHKWUJGHO-UHFFFAOYSA-N -2 3 375.877 1.338 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c(Cl)c1Cl ZINC000275011907 532253324 /nfs/dbraw/zinc/25/33/24/532253324.db2.gz QCODWUZZIZKSKD-ZCFIWIBFSA-N -3 3 386.209 1.456 20 0 GDADHL CC[C@H](C)[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000275146101 532269780 /nfs/dbraw/zinc/26/97/80/532269780.db2.gz 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CCOC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])ccc1F ZINC000275343205 532288429 /nfs/dbraw/zinc/28/84/29/532288429.db2.gz VLQPLGOYUOFFLZ-SNVBAGLBSA-N -2 3 387.307 1.686 20 0 GDADHL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000275344368 532288483 /nfs/dbraw/zinc/28/84/83/532288483.db2.gz SBKZWZQGUXQHBC-VIFPVBQESA-N -2 3 382.435 1.071 20 0 GDADHL C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@@H](C(=O)[O-])C1 ZINC000275176497 532272525 /nfs/dbraw/zinc/27/25/25/532272525.db2.gz WBTNBHYUGSTJLE-TVQRCGJNSA-N -2 3 394.446 1.071 20 0 GDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](Cc1cc(C)cc(C)c1)C(=O)[O-] ZINC000275185268 532274430 /nfs/dbraw/zinc/27/44/30/532274430.db2.gz DVXIGRZHHCRVOQ-CYBMUJFWSA-N -2 3 385.873 1.973 20 0 GDADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@](C)(O)CSC ZINC000391537314 532298820 /nfs/dbraw/zinc/29/88/20/532298820.db2.gz FIFPOSQAGMRQEP-ZDUSSCGKSA-N -2 3 383.875 1.439 20 0 GDADHL Cc1nc(CCC[N-]S(=O)(=O)c2c(C)nn(C)c2Cl)sc1C(=O)[O-] ZINC000275362869 532290204 /nfs/dbraw/zinc/29/02/04/532290204.db2.gz XSDYLVIWPNQFTJ-UHFFFAOYSA-N -2 3 392.890 1.756 20 0 GDADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)(C(=O)[O-])C1(C)C ZINC000275760052 532309307 /nfs/dbraw/zinc/30/93/07/532309307.db2.gz RSBOXPNSAISOCX-XPTSAGLGSA-N -2 3 379.866 1.319 20 0 GDADHL CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736376315 598855854 /nfs/dbraw/zinc/85/58/54/598855854.db2.gz LHMFFHRGVFGQLE-AWEZNQCLSA-N -2 3 379.442 1.409 20 0 GDADHL CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736376315 598855856 /nfs/dbraw/zinc/85/58/56/598855856.db2.gz LHMFFHRGVFGQLE-AWEZNQCLSA-N -2 3 379.442 1.409 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c(OC)c1 ZINC000737106595 598946808 /nfs/dbraw/zinc/94/68/08/598946808.db2.gz VPKRYJHWMGPKRG-UHFFFAOYSA-N -2 3 375.410 1.993 20 0 GDADHL COc1cccc(CC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737129204 598974724 /nfs/dbraw/zinc/97/47/24/598974724.db2.gz JTJNFSURBNULAH-UHFFFAOYSA-N -2 3 387.421 1.231 20 0 GDADHL COc1cccc(CC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737129204 598974726 /nfs/dbraw/zinc/97/47/26/598974726.db2.gz JTJNFSURBNULAH-UHFFFAOYSA-N -2 3 387.421 1.231 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cccc(F)c1F ZINC000737297938 598974838 /nfs/dbraw/zinc/97/48/38/598974838.db2.gz GNBUDAFRTPMQFN-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cccc(F)c1F ZINC000737297938 598974840 /nfs/dbraw/zinc/97/48/40/598974840.db2.gz GNBUDAFRTPMQFN-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CO[C@H]1CCCC[C@H]1C ZINC000737299959 598977082 /nfs/dbraw/zinc/97/70/82/598977082.db2.gz SOBHHFKSACTJQZ-RISCZKNCSA-N -2 3 393.469 1.575 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CO[C@H]1CCCC[C@H]1C ZINC000737299959 598977083 /nfs/dbraw/zinc/97/70/83/598977083.db2.gz SOBHHFKSACTJQZ-RISCZKNCSA-N -2 3 393.469 1.575 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1noc2c1CCCC2 ZINC000737297915 598976463 /nfs/dbraw/zinc/97/64/63/598976463.db2.gz FUHKMQSONFGKEZ-UHFFFAOYSA-N -2 3 388.409 1.161 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1noc2c1CCCC2 ZINC000737297915 598976465 /nfs/dbraw/zinc/97/64/65/598976465.db2.gz FUHKMQSONFGKEZ-UHFFFAOYSA-N -2 3 388.409 1.161 20 0 GDADHL CC(=O)c1csc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735505023 599024759 /nfs/dbraw/zinc/02/47/59/599024759.db2.gz RFKMLKIXTVHRSF-UHFFFAOYSA-N -2 3 391.434 1.391 20 0 GDADHL CC(=O)c1csc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735505023 599024761 /nfs/dbraw/zinc/02/47/61/599024761.db2.gz RFKMLKIXTVHRSF-UHFFFAOYSA-N -2 3 391.434 1.391 20 0 GDADHL Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737614042 599025686 /nfs/dbraw/zinc/02/56/86/599025686.db2.gz VUMSDYSXYFFHSE-UHFFFAOYSA-N -2 3 382.405 1.477 20 0 GDADHL Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737614042 599025688 /nfs/dbraw/zinc/02/56/88/599025688.db2.gz VUMSDYSXYFFHSE-UHFFFAOYSA-N -2 3 382.405 1.477 20 0 GDADHL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1sccc1-c1nnn[n-]1 ZINC000736457432 599026766 /nfs/dbraw/zinc/02/67/66/599026766.db2.gz UTDZDPCLGSFPGV-UHFFFAOYSA-N -2 3 386.503 1.805 20 0 GDADHL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000736457432 599026768 /nfs/dbraw/zinc/02/67/68/599026768.db2.gz UTDZDPCLGSFPGV-UHFFFAOYSA-N -2 3 386.503 1.805 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000737225943 599029607 /nfs/dbraw/zinc/02/96/07/599029607.db2.gz LQCZBQGFWKDLLL-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000737225943 599029609 /nfs/dbraw/zinc/02/96/09/599029609.db2.gz LQCZBQGFWKDLLL-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000736180407 599220373 /nfs/dbraw/zinc/22/03/73/599220373.db2.gz ICAMTMQMHJKERZ-VIRABCJISA-N -2 3 385.424 1.878 20 0 GDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000736180407 599220376 /nfs/dbraw/zinc/22/03/76/599220376.db2.gz ICAMTMQMHJKERZ-VIRABCJISA-N -2 3 385.424 1.878 20 0 GDADHL O=S(=O)([N-]c1ncccc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589122 607325927 /nfs/dbraw/zinc/32/59/27/607325927.db2.gz OJUOZLAZAPYVCT-UHFFFAOYSA-N -2 3 382.203 1.220 20 0 GDADHL Cc1cc(C)nc(-n2nccc2[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822198613 607327004 /nfs/dbraw/zinc/32/70/04/607327004.db2.gz CDCGHHIBWWSKNB-UHFFFAOYSA-N -2 3 397.424 1.260 20 0 GDADHL Cc1cc(C)nc(-n2nccc2[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822198613 607327005 /nfs/dbraw/zinc/32/70/05/607327005.db2.gz CDCGHHIBWWSKNB-UHFFFAOYSA-N -2 3 397.424 1.260 20 0 GDADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000738102560 598323532 /nfs/dbraw/zinc/32/35/32/598323532.db2.gz QKCXTLFRGVBPLC-UHFFFAOYSA-N -2 3 397.395 1.873 20 0 GDADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000738102560 598323533 /nfs/dbraw/zinc/32/35/33/598323533.db2.gz QKCXTLFRGVBPLC-UHFFFAOYSA-N -2 3 397.395 1.873 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)F)cc1 ZINC000738138783 598363876 /nfs/dbraw/zinc/36/38/76/598363876.db2.gz JHVOBUBQSOQULK-UHFFFAOYSA-N -2 3 379.348 1.923 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)F)cc1 ZINC000738138783 598363878 /nfs/dbraw/zinc/36/38/78/598363878.db2.gz JHVOBUBQSOQULK-UHFFFAOYSA-N -2 3 379.348 1.923 20 0 GDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1F ZINC000737760198 598367220 /nfs/dbraw/zinc/36/72/20/598367220.db2.gz IJPBFXVDCBJTEI-UHFFFAOYSA-N -2 3 396.791 1.559 20 0 GDADHL COC(=O)c1sc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nc1C ZINC000736957072 598437931 /nfs/dbraw/zinc/43/79/31/598437931.db2.gz NQEREXKFLZKKGL-UHFFFAOYSA-N -2 3 380.411 1.219 20 0 GDADHL COC(=O)c1sc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nc1C ZINC000736957072 598437932 /nfs/dbraw/zinc/43/79/32/598437932.db2.gz NQEREXKFLZKKGL-UHFFFAOYSA-N -2 3 380.411 1.219 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735550068 598564724 /nfs/dbraw/zinc/56/47/24/598564724.db2.gz FVMUEFJWOQRGAH-JTQLQIEISA-N -2 3 375.385 1.614 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735550068 598564725 /nfs/dbraw/zinc/56/47/25/598564725.db2.gz FVMUEFJWOQRGAH-JTQLQIEISA-N -2 3 375.385 1.614 20 0 GDADHL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)cc2C[C@H]1C ZINC000735467734 598636959 /nfs/dbraw/zinc/63/69/59/598636959.db2.gz VZNWJESFUCWUAO-SNVBAGLBSA-N -2 3 399.436 1.360 20 0 GDADHL CC(C)c1ocnc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735953284 598733419 /nfs/dbraw/zinc/73/34/19/598733419.db2.gz FURIDQRVPDLJRF-UHFFFAOYSA-N -2 3 376.398 1.238 20 0 GDADHL CC(C)c1ocnc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735953284 598733421 /nfs/dbraw/zinc/73/34/21/598733421.db2.gz FURIDQRVPDLJRF-UHFFFAOYSA-N -2 3 376.398 1.238 20 0 GDADHL O=C(C[C@@H]1CCc2ccccc2C1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737822142 598750744 /nfs/dbraw/zinc/75/07/44/598750744.db2.gz XDJSBQNTHBILQY-CYBMUJFWSA-N -2 3 397.460 1.867 20 0 GDADHL O=C(C[C@@H]1CCc2ccccc2C1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737822142 598750746 /nfs/dbraw/zinc/75/07/46/598750746.db2.gz XDJSBQNTHBILQY-CYBMUJFWSA-N -2 3 397.460 1.867 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000737236810 598785342 /nfs/dbraw/zinc/78/53/42/598785342.db2.gz SEKRDGUQXKEUFM-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737236810 598785343 /nfs/dbraw/zinc/78/53/43/598785343.db2.gz SEKRDGUQXKEUFM-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H]1CCc2ccccc21 ZINC000738140912 598799633 /nfs/dbraw/zinc/79/96/33/598799633.db2.gz ZHYBKBWMRPWMGI-INIZCTEOSA-N -2 3 383.433 1.543 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@H]1CCc2ccccc21 ZINC000738140912 598799635 /nfs/dbraw/zinc/79/96/35/598799635.db2.gz ZHYBKBWMRPWMGI-INIZCTEOSA-N -2 3 383.433 1.543 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc21 ZINC000738139740 598800011 /nfs/dbraw/zinc/80/00/11/598800011.db2.gz OMDWOSWBDAEPGO-MRXNPFEDSA-N -2 3 383.433 1.543 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc21 ZINC000738139740 598800013 /nfs/dbraw/zinc/80/00/13/598800013.db2.gz OMDWOSWBDAEPGO-MRXNPFEDSA-N -2 3 383.433 1.543 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(N)=O ZINC000822223993 599306909 /nfs/dbraw/zinc/30/69/09/599306909.db2.gz RIEFRKFJMPDGNP-UHFFFAOYSA-N -2 3 392.828 1.728 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(N)=O ZINC000822223993 599306911 /nfs/dbraw/zinc/30/69/11/599306911.db2.gz RIEFRKFJMPDGNP-UHFFFAOYSA-N -2 3 392.828 1.728 20 0 GDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000738207021 599317250 /nfs/dbraw/zinc/31/72/50/599317250.db2.gz IRUOGQXPIJPXEF-UHFFFAOYSA-N -3 3 377.357 1.434 20 0 GDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000738207021 599317252 /nfs/dbraw/zinc/31/72/52/599317252.db2.gz IRUOGQXPIJPXEF-UHFFFAOYSA-N -3 3 377.357 1.434 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000819866406 599619458 /nfs/dbraw/zinc/61/94/58/599619458.db2.gz MIXGGCRFXOROTO-NSHDSACASA-N -2 3 389.412 1.756 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000819866406 599619459 /nfs/dbraw/zinc/61/94/59/599619459.db2.gz MIXGGCRFXOROTO-NSHDSACASA-N -2 3 389.412 1.756 20 0 GDADHL C[C@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)O1 ZINC000820691821 599621652 /nfs/dbraw/zinc/62/16/52/599621652.db2.gz ZSHIIFSKRWMQHU-FZMZJTMJSA-N -2 3 379.442 1.160 20 0 GDADHL C[C@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC000820691821 599621653 /nfs/dbraw/zinc/62/16/53/599621653.db2.gz ZSHIIFSKRWMQHU-FZMZJTMJSA-N -2 3 379.442 1.160 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccco1 ZINC000819867998 599622913 /nfs/dbraw/zinc/62/29/13/599622913.db2.gz XCFAOQAGLMNVOD-MRVPVSSYSA-N -2 3 381.801 1.722 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccco1 ZINC000819867998 599622914 /nfs/dbraw/zinc/62/29/14/599622914.db2.gz XCFAOQAGLMNVOD-MRVPVSSYSA-N -2 3 381.801 1.722 20 0 GDADHL COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Cc1cccc(F)c1 ZINC000737580388 599779060 /nfs/dbraw/zinc/77/90/60/599779060.db2.gz UFMKAADXWQAKKM-NSHDSACASA-N -2 3 385.369 1.427 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000826249546 607399342 /nfs/dbraw/zinc/39/93/42/607399342.db2.gz ICZXBTSSQRLYIW-UHFFFAOYSA-N -2 3 398.448 1.603 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000826249546 607399343 /nfs/dbraw/zinc/39/93/43/607399343.db2.gz ICZXBTSSQRLYIW-UHFFFAOYSA-N -2 3 398.448 1.603 20 0 GDADHL O=C([O-])C1CCC(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000263460437 600027761 /nfs/dbraw/zinc/02/77/61/600027761.db2.gz IOWZIKIHVAANRB-UHFFFAOYSA-N -2 3 375.425 1.503 20 0 GDADHL CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC000736888070 600109195 /nfs/dbraw/zinc/10/91/95/600109195.db2.gz UQODJIMCAILUQF-PRHODGIISA-N -2 3 388.214 1.927 20 0 GDADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000738389238 600165954 /nfs/dbraw/zinc/16/59/54/600165954.db2.gz WWXFALHBRSLQAU-UHFFFAOYSA-N -2 3 397.387 1.930 20 0 GDADHL CN(C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)[C@H]1CCN(C2CC2)C1 ZINC000737336538 600275012 /nfs/dbraw/zinc/27/50/12/600275012.db2.gz MJADFWNIBXXQKB-KRWDZBQOSA-N -2 3 384.436 1.101 20 0 GDADHL O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000739573562 600482922 /nfs/dbraw/zinc/48/29/22/600482922.db2.gz IKZPUHQRWSDPKQ-CVEARBPZSA-N -2 3 396.465 1.687 20 0 GDADHL CCc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)ncn1 ZINC000737254467 600521647 /nfs/dbraw/zinc/52/16/47/600521647.db2.gz PEYDARFGXPFIHN-LBPRGKRZSA-N -2 3 380.426 1.278 20 0 GDADHL CCc1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)ncn1 ZINC000737254464 600521723 /nfs/dbraw/zinc/52/17/23/600521723.db2.gz PEYDARFGXPFIHN-GFCCVEGCSA-N -2 3 380.426 1.278 20 0 GDADHL O=C([O-])Cc1nc([N-]C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)n[nH]1 ZINC000739899054 600533366 /nfs/dbraw/zinc/53/33/66/600533366.db2.gz ANXCKNZATKENEM-UHFFFAOYSA-N -2 3 387.787 1.796 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1C(=O)[O-] ZINC000042792838 600541188 /nfs/dbraw/zinc/54/11/88/600541188.db2.gz VHCNMVINAOBLSJ-VIFPVBQESA-N -2 3 392.389 1.914 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cc1C(=O)[O-] ZINC000595369277 600544689 /nfs/dbraw/zinc/54/46/89/600544689.db2.gz QKOWCIBJZQIHAP-UHFFFAOYSA-N -2 3 380.378 1.125 20 0 GDADHL C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1)c1ccc(C(=O)[O-])o1 ZINC000827860184 600687181 /nfs/dbraw/zinc/68/71/81/600687181.db2.gz AOYKNYGFJRDGEN-QMMMGPOBSA-N -2 3 389.407 1.228 20 0 GDADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)C(=O)CO2 ZINC000743269196 600691455 /nfs/dbraw/zinc/69/14/55/600691455.db2.gz GEJVDXBBJPJEFI-UHFFFAOYSA-N -2 3 376.390 1.849 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccn(CC(F)(F)F)n1 ZINC000822223759 607466166 /nfs/dbraw/zinc/46/61/66/607466166.db2.gz JGIYOTJKTIRGKM-UHFFFAOYSA-N -2 3 387.347 1.735 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccn(CC(F)(F)F)n1 ZINC000822223759 607466168 /nfs/dbraw/zinc/46/61/68/607466168.db2.gz JGIYOTJKTIRGKM-UHFFFAOYSA-N -2 3 387.347 1.735 20 0 GDADHL C[C@@H]([N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000827767739 600756364 /nfs/dbraw/zinc/75/63/64/600756364.db2.gz JGNCKBPQXADWTO-LLVKDONJSA-N -2 3 376.394 1.662 20 0 GDADHL CN(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000830596520 600829887 /nfs/dbraw/zinc/82/98/87/600829887.db2.gz RCMKBAFANJQAKU-UHFFFAOYSA-N -2 3 380.426 1.024 20 0 GDADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)N1CCCC[C@H]1C ZINC000827760638 600994334 /nfs/dbraw/zinc/99/43/34/600994334.db2.gz MGMABJPNCRHKAY-ZJUUUORDSA-N -2 3 390.408 1.731 20 0 GDADHL O=C([O-])c1ccsc1N1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1=O ZINC000833131009 601111437 /nfs/dbraw/zinc/11/14/37/601111437.db2.gz LHRSZIIAUZWZPI-ZDUSSCGKSA-N -2 3 397.412 1.823 20 0 GDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCC(=O)NCc2ccccc2)c1F ZINC000833100154 601234283 /nfs/dbraw/zinc/23/42/83/601234283.db2.gz AFGOJZYDBMSGKL-UHFFFAOYSA-N -2 3 398.387 1.648 20 0 GDADHL COC(=O)C1CCC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000831099523 601235190 /nfs/dbraw/zinc/23/51/90/601235190.db2.gz HBJZCUHRUKQXFB-UHFFFAOYSA-N -2 3 377.365 1.673 20 0 GDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccnc(C(=O)[O-])c2)cc1OC ZINC000485631825 601244425 /nfs/dbraw/zinc/24/44/25/601244425.db2.gz BPFCGMJRTJKSOS-UHFFFAOYSA-N -2 3 379.394 1.802 20 0 GDADHL O=C([O-])c1ccsc1N1CC[C@@H]([N-]S(=O)(=O)Cc2ccccc2F)C1=O ZINC000833342011 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YCYUUUKMWNBRQG-UHFFFAOYSA-N -3 3 390.751 1.940 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(C[C@@H]3CCCO3)c2)c1-c1nnn[n-]1 ZINC000826304077 607534889 /nfs/dbraw/zinc/53/48/89/607534889.db2.gz VEVZUWXBMXHKJK-ZDUSSCGKSA-N -2 3 389.441 1.351 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(C[C@@H]3CCCO3)c2)c1-c1nn[n-]n1 ZINC000826304077 607534891 /nfs/dbraw/zinc/53/48/91/607534891.db2.gz VEVZUWXBMXHKJK-ZDUSSCGKSA-N -2 3 389.441 1.351 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2ccnn2Cc2ccccn2)c1-c1nnn[n-]1 ZINC000826304072 607536438 /nfs/dbraw/zinc/53/64/38/607536438.db2.gz UZUGQBXSKGDXSE-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2ccnn2Cc2ccccn2)c1-c1nn[n-]n1 ZINC000826304072 607536440 /nfs/dbraw/zinc/53/64/40/607536440.db2.gz UZUGQBXSKGDXSE-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cnn(C2CCOCC2)c1 ZINC000826492978 607537087 /nfs/dbraw/zinc/53/70/87/607537087.db2.gz NQHYVOCZYRWAPT-UHFFFAOYSA-N -2 3 393.404 1.355 20 0 GDADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cnn(C2CCOCC2)c1 ZINC000826492978 607537089 /nfs/dbraw/zinc/53/70/89/607537089.db2.gz NQHYVOCZYRWAPT-UHFFFAOYSA-N -2 3 393.404 1.355 20 0 GDADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)OC ZINC000829202086 602143293 /nfs/dbraw/zinc/14/32/93/602143293.db2.gz KCWKASVZGIYUDU-LBPRGKRZSA-N -2 3 398.231 1.750 20 0 GDADHL CCC(CC)([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(=O)OC ZINC000828849179 602160844 /nfs/dbraw/zinc/16/08/44/602160844.db2.gz PJTIPMUXIJJBCA-UHFFFAOYSA-N -2 3 398.231 1.750 20 0 GDADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCOCC1 ZINC000232971939 602163152 /nfs/dbraw/zinc/16/31/52/602163152.db2.gz VFDQOPRLQFRZMC-UHFFFAOYSA-N -2 3 382.232 1.835 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1OCCc2ccccc21 ZINC000826279243 607559938 /nfs/dbraw/zinc/55/99/38/607559938.db2.gz KFMMQANJQZVZEB-INIZCTEOSA-N -2 3 399.432 1.294 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1OCCc2ccccc21 ZINC000826279243 607559939 /nfs/dbraw/zinc/55/99/39/607559939.db2.gz KFMMQANJQZVZEB-INIZCTEOSA-N -2 3 399.432 1.294 20 0 GDADHL C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000739105746 602432254 /nfs/dbraw/zinc/43/22/54/602432254.db2.gz YXDNMSVQPHWFKU-PXAZEXFGSA-N -2 3 380.470 1.815 20 0 GDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCN(C)C(=O)[O-])cc1Cl ZINC000738557356 602547277 /nfs/dbraw/zinc/54/72/77/602547277.db2.gz BVCAWWWKAMJRFJ-UHFFFAOYSA-N -2 3 381.813 1.716 20 0 GDADHL O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000740691267 602567379 /nfs/dbraw/zinc/56/73/79/602567379.db2.gz KCTYOMUAKMTNPG-QGZVFWFLSA-N -2 3 397.431 1.556 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1cccs1 ZINC000826111925 607613371 /nfs/dbraw/zinc/61/33/71/607613371.db2.gz OKRPNOWHDGGLQF-LBPRGKRZSA-N -2 3 397.413 1.260 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000826111925 607613373 /nfs/dbraw/zinc/61/33/73/607613373.db2.gz OKRPNOWHDGGLQF-LBPRGKRZSA-N -2 3 397.413 1.260 20 0 GDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)ccc1F ZINC000824382462 603703461 /nfs/dbraw/zinc/70/34/61/603703461.db2.gz QLEBSKDLAORDFU-GFCCVEGCSA-N -2 3 387.433 1.337 20 0 GDADHL CN(Cc1ccccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000828393943 603731463 /nfs/dbraw/zinc/73/14/63/603731463.db2.gz QRRNTAGBSZCERA-UHFFFAOYSA-N -2 3 375.356 1.896 20 0 GDADHL CCCC[C@@H](CNC(=O)[O-])NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000826781850 604016688 /nfs/dbraw/zinc/01/66/88/604016688.db2.gz SIBOXTZENFHJPC-DZGCQCFKSA-N -2 3 377.441 1.939 20 0 GDADHL COC(=O)C1([N-]S(=O)(=O)c2sccc2OC)CCC(C(=O)[O-])CC1 ZINC000833702504 604704500 /nfs/dbraw/zinc/70/45/00/604704500.db2.gz XPVPHIOZOVASAG-UHFFFAOYSA-N -2 3 377.440 1.222 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2cnccc2C(=O)[O-])cc1F ZINC000832703984 604813075 /nfs/dbraw/zinc/81/30/75/604813075.db2.gz PDTMLPLVAYCIOS-UHFFFAOYSA-N -2 3 390.370 1.058 20 0 GDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)c1 ZINC000539396861 605239213 /nfs/dbraw/zinc/23/92/13/605239213.db2.gz BZWLXVFVHODELJ-UHFFFAOYSA-N -3 3 383.378 1.917 20 0 GDADHL Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826339320 607745023 /nfs/dbraw/zinc/74/50/23/607745023.db2.gz ZKCYEIAHYXJNDR-SSDOTTSWSA-N -2 3 398.395 1.832 20 0 GDADHL COc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3csnc3C(=O)[O-])c21 ZINC000833736140 605301654 /nfs/dbraw/zinc/30/16/54/605301654.db2.gz YAFVJDVFQISRID-UHFFFAOYSA-N -2 3 381.435 1.852 20 0 GDADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000823387115 606212482 /nfs/dbraw/zinc/21/24/82/606212482.db2.gz CSPWYCXUNDFPCB-UHFFFAOYSA-N -3 3 395.784 1.725 20 0 GDADHL Cc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000822515432 606469333 /nfs/dbraw/zinc/46/93/33/606469333.db2.gz MDTUJRNXSFNJIT-UHFFFAOYSA-N -2 3 391.360 1.846 20 0 GDADHL Cc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000822515432 606469335 /nfs/dbraw/zinc/46/93/35/606469335.db2.gz MDTUJRNXSFNJIT-UHFFFAOYSA-N -2 3 391.360 1.846 20 0 GDADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn(CC)cn1 ZINC000821128166 606590271 /nfs/dbraw/zinc/59/02/71/606590271.db2.gz QSXUEKYAQRBPQM-UHFFFAOYSA-N -2 3 376.446 1.706 20 0 GDADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(F)ccc2F)n1 ZINC000819971635 606606017 /nfs/dbraw/zinc/60/60/17/606606017.db2.gz PFNLXBQUTOKDQJ-UHFFFAOYSA-N -2 3 383.384 1.897 20 0 GDADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C1CCCC1 ZINC000823060874 606653869 /nfs/dbraw/zinc/65/38/69/606653869.db2.gz MLHRSKCJYWAFMY-UHFFFAOYSA-N -2 3 381.483 1.489 20 0 GDADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C1CCCC1 ZINC000823060874 606653870 /nfs/dbraw/zinc/65/38/70/606653870.db2.gz MLHRSKCJYWAFMY-UHFFFAOYSA-N -2 3 381.483 1.489 20 0 GDADHL O=C(C=CC1CC1)[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000822921954 606654745 /nfs/dbraw/zinc/65/47/45/606654745.db2.gz BDSHQMDSPUFNMC-ARJAWSKDSA-N -2 3 398.242 1.400 20 0 GDADHL O=C(C=CC1CC1)[N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000822921954 606654746 /nfs/dbraw/zinc/65/47/46/606654746.db2.gz BDSHQMDSPUFNMC-ARJAWSKDSA-N -2 3 398.242 1.400 20 0 GDADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1Cl ZINC000821667123 606712529 /nfs/dbraw/zinc/71/25/29/606712529.db2.gz VZGKILMADYQPNY-UHFFFAOYSA-N -2 3 397.804 1.139 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823285494 606747156 /nfs/dbraw/zinc/74/71/56/606747156.db2.gz UJCSJMAVVGPYQP-IRXDYDNUSA-N -2 3 397.460 1.692 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000823285494 606747158 /nfs/dbraw/zinc/74/71/58/606747158.db2.gz UJCSJMAVVGPYQP-IRXDYDNUSA-N -2 3 397.460 1.692 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)o1 ZINC000821669566 606751075 /nfs/dbraw/zinc/75/10/75/606751075.db2.gz RXJGHLFASFNRFO-UHFFFAOYSA-N -2 3 392.397 1.113 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000821645398 606848763 /nfs/dbraw/zinc/84/87/63/606848763.db2.gz YQLFGPHEDYUDNF-AWEZNQCLSA-N -2 3 391.384 1.198 20 0 GDADHL COC(=O)c1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821670078 606864468 /nfs/dbraw/zinc/86/44/68/606864468.db2.gz MEGZLKSEBGSXJR-UHFFFAOYSA-N -2 3 395.347 1.732 20 0 GDADHL COC(=O)c1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821670078 606864470 /nfs/dbraw/zinc/86/44/70/606864470.db2.gz MEGZLKSEBGSXJR-UHFFFAOYSA-N -2 3 395.347 1.732 20 0 GDADHL Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822191992 606864765 /nfs/dbraw/zinc/86/47/65/606864765.db2.gz WKKMLYCDEHUACL-UHFFFAOYSA-N -2 3 394.363 1.353 20 0 GDADHL Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822191992 606864767 /nfs/dbraw/zinc/86/47/67/606864767.db2.gz WKKMLYCDEHUACL-UHFFFAOYSA-N -2 3 394.363 1.353 20 0 GDADHL O=S(=O)([N-]c1ccc2c(c1)CCO2)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589260 606865652 /nfs/dbraw/zinc/86/56/52/606865652.db2.gz 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Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737246384 598843919 /nfs/dbraw/zinc/84/39/19/598843919.db2.gz SZAVBHWAHXKPEH-UHFFFAOYSA-N -2 3 376.373 1.214 20 0 GDADHL Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737246384 598843921 /nfs/dbraw/zinc/84/39/21/598843921.db2.gz SZAVBHWAHXKPEH-UHFFFAOYSA-N -2 3 376.373 1.214 20 0 GDADHL O=S(=O)([N-]c1ccc(OCCO)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738342180 598845830 /nfs/dbraw/zinc/84/58/30/598845830.db2.gz OAHZLVVLUTVJHI-UHFFFAOYSA-N -2 3 379.373 1.178 20 0 GDADHL O=S(=O)([N-]c1ccc(OCCO)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738342180 598845831 /nfs/dbraw/zinc/84/58/31/598845831.db2.gz OAHZLVVLUTVJHI-UHFFFAOYSA-N -2 3 379.373 1.178 20 0 GDADHL C[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736274895 598855700 /nfs/dbraw/zinc/85/57/00/598855700.db2.gz WDRCYUXCYRBDJA-DOMZBBRYSA-N -2 3 393.469 1.408 20 0 GDADHL C[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736274895 598855701 /nfs/dbraw/zinc/85/57/01/598855701.db2.gz WDRCYUXCYRBDJA-DOMZBBRYSA-N -2 3 393.469 1.408 20 0 GDADHL C[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736271409 598855718 /nfs/dbraw/zinc/85/57/18/598855718.db2.gz NELILMIHCXQQBN-WFASDCNBSA-N -2 3 393.469 1.408 20 0 GDADHL C[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736271409 598855719 /nfs/dbraw/zinc/85/57/19/598855719.db2.gz NELILMIHCXQQBN-WFASDCNBSA-N -2 3 393.469 1.408 20 0 GDADHL CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736376256 598855622 /nfs/dbraw/zinc/85/56/22/598855622.db2.gz KTSKZBQGPVXWLD-AWEZNQCLSA-N -2 3 379.442 1.409 20 0 GDADHL CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736376256 598855623 /nfs/dbraw/zinc/85/56/23/598855623.db2.gz KTSKZBQGPVXWLD-AWEZNQCLSA-N -2 3 379.442 1.409 20 0 GDADHL COc1cc(C)sc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737040489 598882009 /nfs/dbraw/zinc/88/20/09/598882009.db2.gz CUWSTBABPAGTHZ-UHFFFAOYSA-N -2 3 393.450 1.505 20 0 GDADHL COc1cc(C)sc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737040489 598882011 /nfs/dbraw/zinc/88/20/11/598882011.db2.gz CUWSTBABPAGTHZ-UHFFFAOYSA-N -2 3 393.450 1.505 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnn(Cc2ccncc2)c1 ZINC000737225892 598949195 /nfs/dbraw/zinc/94/91/95/598949195.db2.gz KIHHHDORUPPJKB-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnn(Cc2ccncc2)c1 ZINC000737225892 598949196 /nfs/dbraw/zinc/94/91/96/598949196.db2.gz KIHHHDORUPPJKB-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnn(C[C@H]2CCCO2)c1 ZINC000737226270 598949442 /nfs/dbraw/zinc/94/94/42/598949442.db2.gz SMCOXNCJGIGIQS-CQSZACIVSA-N -2 3 389.441 1.351 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnn(C[C@H]2CCCO2)c1 ZINC000737226270 598949444 /nfs/dbraw/zinc/94/94/44/598949444.db2.gz SMCOXNCJGIGIQS-CQSZACIVSA-N -2 3 389.441 1.351 20 0 GDADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000821416668 607254893 /nfs/dbraw/zinc/25/48/93/607254893.db2.gz CBALBACWKYLZHH-UHFFFAOYSA-N -2 3 383.821 1.453 20 0 GDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821669358 607255666 /nfs/dbraw/zinc/25/56/66/607255666.db2.gz IAZPRIRZNAITSO-UHFFFAOYSA-N -2 3 391.384 1.902 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cn(C)c2ccccc12 ZINC000737298373 598976182 /nfs/dbraw/zinc/97/61/82/598976182.db2.gz IMNZKMTVQMUYMW-UHFFFAOYSA-N -2 3 396.432 1.786 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cn(C)c2ccccc12 ZINC000737298373 598976183 /nfs/dbraw/zinc/97/61/83/598976183.db2.gz IMNZKMTVQMUYMW-UHFFFAOYSA-N -2 3 396.432 1.786 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCO2 ZINC000737298471 598976240 /nfs/dbraw/zinc/97/62/40/598976240.db2.gz KOTRLZSIPOVXBT-UHFFFAOYSA-N -2 3 399.432 1.158 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCO2 ZINC000737298471 598976242 /nfs/dbraw/zinc/97/62/42/598976242.db2.gz KOTRLZSIPOVXBT-UHFFFAOYSA-N -2 3 399.432 1.158 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1csc(C(C)C)n1 ZINC000737300509 598976786 /nfs/dbraw/zinc/97/67/86/598976786.db2.gz ZQMOFWOSASKFKA-UHFFFAOYSA-N -2 3 392.466 1.874 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1csc(C(C)C)n1 ZINC000737300509 598976788 /nfs/dbraw/zinc/97/67/88/598976788.db2.gz ZQMOFWOSASKFKA-UHFFFAOYSA-N -2 3 392.466 1.874 20 0 GDADHL Cc1ccccc1CCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737427619 598976936 /nfs/dbraw/zinc/97/69/36/598976936.db2.gz UBOWGNDDOMVZNU-UHFFFAOYSA-N -2 3 385.449 1.921 20 0 GDADHL Cc1ccccc1CCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737427619 598976937 /nfs/dbraw/zinc/97/69/37/598976937.db2.gz UBOWGNDDOMVZNU-UHFFFAOYSA-N -2 3 385.449 1.921 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc2ccccc2n1 ZINC000737299988 598978143 /nfs/dbraw/zinc/97/81/43/598978143.db2.gz TVEQZUYKQIAMKH-UHFFFAOYSA-N -2 3 394.416 1.842 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc2ccccc2n1 ZINC000737299988 598978144 /nfs/dbraw/zinc/97/81/44/598978144.db2.gz TVEQZUYKQIAMKH-UHFFFAOYSA-N -2 3 394.416 1.842 20 0 GDADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)nc1 ZINC000736778807 599193001 /nfs/dbraw/zinc/19/30/01/599193001.db2.gz FXRDLUFOHGAVNH-UHFFFAOYSA-N -2 3 379.833 1.782 20 0 GDADHL O=C([O-])CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000740484796 597121917 /nfs/dbraw/zinc/12/19/17/597121917.db2.gz DZHXRTZVCGSLDF-UHFFFAOYSA-N -3 3 384.797 1.661 20 0 GDADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCCc2ccccc21 ZINC000736202271 598307294 /nfs/dbraw/zinc/30/72/94/598307294.db2.gz IFPCFMZXPHEYCH-IBGZPJMESA-N -2 3 397.460 1.966 20 0 GDADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCCc2ccccc21 ZINC000736202271 598307296 /nfs/dbraw/zinc/30/72/96/598307296.db2.gz IFPCFMZXPHEYCH-IBGZPJMESA-N -2 3 397.460 1.966 20 0 GDADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCc2ccccc21 ZINC000736204826 598307348 /nfs/dbraw/zinc/30/73/48/598307348.db2.gz VRWFNZOQNFEQRT-LJQANCHMSA-N -2 3 397.460 1.966 20 0 GDADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCc2ccccc21 ZINC000736204826 598307350 /nfs/dbraw/zinc/30/73/50/598307350.db2.gz VRWFNZOQNFEQRT-LJQANCHMSA-N -2 3 397.460 1.966 20 0 GDADHL COc1cccc([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737128083 598414930 /nfs/dbraw/zinc/41/49/30/598414930.db2.gz MHZGPQIJIVETDO-CVEARBPZSA-N -2 3 399.432 1.484 20 0 GDADHL COc1cccc([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737128083 598414932 /nfs/dbraw/zinc/41/49/32/598414932.db2.gz MHZGPQIJIVETDO-CVEARBPZSA-N -2 3 399.432 1.484 20 0 GDADHL C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736165844 598415955 /nfs/dbraw/zinc/41/59/55/598415955.db2.gz WVLONTFZXKCIMO-QMMMGPOBSA-N -2 3 385.833 1.140 20 0 GDADHL C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736165844 598415956 /nfs/dbraw/zinc/41/59/56/598415956.db2.gz WVLONTFZXKCIMO-QMMMGPOBSA-N -2 3 385.833 1.140 20 0 GDADHL CCOC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736599558 598437400 /nfs/dbraw/zinc/43/74/00/598437400.db2.gz OLSMZTNWRCCDJZ-UHFFFAOYSA-N -2 3 394.438 1.230 20 0 GDADHL CCOC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736599558 598437401 /nfs/dbraw/zinc/43/74/01/598437401.db2.gz OLSMZTNWRCCDJZ-UHFFFAOYSA-N -2 3 394.438 1.230 20 0 GDADHL CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736624695 598637010 /nfs/dbraw/zinc/63/70/10/598637010.db2.gz DNUBZMNFPGMFGK-UHFFFAOYSA-N -2 3 390.425 1.478 20 0 GDADHL CC(=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735447315 598733654 /nfs/dbraw/zinc/73/36/54/598733654.db2.gz DXKDTHAYCGZOIS-PKNBQFBNSA-N -2 3 387.396 1.914 20 0 GDADHL CC(=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735447315 598733655 /nfs/dbraw/zinc/73/36/55/598733655.db2.gz DXKDTHAYCGZOIS-PKNBQFBNSA-N -2 3 387.396 1.914 20 0 GDADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735858738 598739382 /nfs/dbraw/zinc/73/93/82/598739382.db2.gz BINZJCMEEVFFEL-UHFFFAOYSA-N -2 3 396.473 1.117 20 0 GDADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735858738 598739383 /nfs/dbraw/zinc/73/93/83/598739383.db2.gz BINZJCMEEVFFEL-UHFFFAOYSA-N -2 3 396.473 1.117 20 0 GDADHL O=C(NCc1cccc(-c2nn[n-]n2)c1)c1nn(-c2ccccc2F)cc1[O-] ZINC000738117393 598815169 /nfs/dbraw/zinc/81/51/69/598815169.db2.gz QPEAKSQSLVXGMV-UHFFFAOYSA-N -2 3 379.355 1.827 20 0 GDADHL O=C([O-])COc1cccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)c1 ZINC000738206058 598822473 /nfs/dbraw/zinc/82/24/73/598822473.db2.gz AZHCDCYJVGHQOC-OQLLNIDSSA-N -2 3 391.343 1.675 20 0 GDADHL O=C([O-])COc1cccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)c1 ZINC000738206058 598822474 /nfs/dbraw/zinc/82/24/74/598822474.db2.gz AZHCDCYJVGHQOC-OQLLNIDSSA-N -2 3 391.343 1.675 20 0 GDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823387446 599304862 /nfs/dbraw/zinc/30/48/62/599304862.db2.gz KEXXSUVMPUQFME-UHFFFAOYSA-N -3 3 393.812 1.948 20 0 GDADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737070732 599315458 /nfs/dbraw/zinc/31/54/58/599315458.db2.gz CAWMWCNYMVPMPZ-UHFFFAOYSA-N -3 3 375.366 1.374 20 0 GDADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737070732 599315459 /nfs/dbraw/zinc/31/54/59/599315459.db2.gz CAWMWCNYMVPMPZ-UHFFFAOYSA-N -3 3 375.366 1.374 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1Br ZINC000822332666 607375194 /nfs/dbraw/zinc/37/51/94/607375194.db2.gz RDLLQRVKUFTHFY-UHFFFAOYSA-N -2 3 398.246 1.472 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000737296707 599456681 /nfs/dbraw/zinc/45/66/81/599456681.db2.gz MOOZTGRFLMPVCW-CYBMUJFWSA-N -2 3 399.432 1.942 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000737296707 599456683 /nfs/dbraw/zinc/45/66/83/599456683.db2.gz MOOZTGRFLMPVCW-CYBMUJFWSA-N -2 3 399.432 1.942 20 0 GDADHL C[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820398041 599524450 /nfs/dbraw/zinc/52/44/50/599524450.db2.gz ZZZVKIFJPSMLGG-NSHDSACASA-N -2 3 386.437 1.729 20 0 GDADHL C[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820398041 599524453 /nfs/dbraw/zinc/52/44/53/599524453.db2.gz ZZZVKIFJPSMLGG-NSHDSACASA-N -2 3 386.437 1.729 20 0 GDADHL C[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404363 599542347 /nfs/dbraw/zinc/54/23/47/599542347.db2.gz UCKPLSLVIXIDPS-MRVPVSSYSA-N -2 3 378.352 1.107 20 0 GDADHL C[C@@H](NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404363 599542349 /nfs/dbraw/zinc/54/23/49/599542349.db2.gz UCKPLSLVIXIDPS-MRVPVSSYSA-N -2 3 378.352 1.107 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000735552700 599617083 /nfs/dbraw/zinc/61/70/83/599617083.db2.gz YOADRWQVIACTQZ-JTQLQIEISA-N -2 3 377.451 1.678 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccsc1 ZINC000735552700 599617085 /nfs/dbraw/zinc/61/70/85/599617085.db2.gz YOADRWQVIACTQZ-JTQLQIEISA-N -2 3 377.451 1.678 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cccc2cc[nH]c21 ZINC000823284476 599620343 /nfs/dbraw/zinc/62/03/43/599620343.db2.gz HVXROYGIAAHHLJ-UHFFFAOYSA-N -2 3 382.405 1.608 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1cccc2cc[nH]c21 ZINC000823284476 599620344 /nfs/dbraw/zinc/62/03/44/599620344.db2.gz HVXROYGIAAHHLJ-UHFFFAOYSA-N -2 3 382.405 1.608 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823285619 599621101 /nfs/dbraw/zinc/62/11/01/599621101.db2.gz XLMYTGRAKCMIOU-HUUCEWRRSA-N -2 3 375.454 1.888 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823285619 599621102 /nfs/dbraw/zinc/62/11/02/599621102.db2.gz XLMYTGRAKCMIOU-HUUCEWRRSA-N -2 3 375.454 1.888 20 0 GDADHL Cc1cccc([C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)N2CCOCC2)c1 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1.022 20 0 GDADHL O=C([O-])c1ccc(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)o1 ZINC000739309013 600497895 /nfs/dbraw/zinc/49/78/95/600497895.db2.gz MHHPXTFCSWEKNZ-UHFFFAOYSA-N -2 3 378.815 1.287 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)cc1C(=O)[O-] ZINC000376519150 600542445 /nfs/dbraw/zinc/54/24/45/600542445.db2.gz GOEWZPGIFZYNSM-UHFFFAOYSA-N -2 3 389.393 1.385 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cc1C(=O)[O-] ZINC000484630896 600579565 /nfs/dbraw/zinc/57/95/65/600579565.db2.gz HBCIVUBYCLUXAH-UHFFFAOYSA-N -2 3 388.405 1.834 20 0 GDADHL COCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000737754406 600633666 /nfs/dbraw/zinc/63/36/66/600633666.db2.gz OZUFORHHLIHJCJ-ZETCQYMHSA-N -2 3 384.223 1.990 20 0 GDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCOC2)c(F)cc1Br ZINC000740088371 600634134 /nfs/dbraw/zinc/63/41/34/600634134.db2.gz UUPSKFGSPHKQTH-MRVPVSSYSA-N -2 3 396.234 1.991 20 0 GDADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)NC(=O)OC(C)(C)C ZINC000736358279 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WSAXRFCCNQOIIG-CQSZACIVSA-N -2 3 398.437 1.539 20 0 GDADHL Cc1oc(S(=O)(=O)[N-]Cc2cccc(CN3CCCC3=O)c2)cc1C(=O)[O-] ZINC000833026674 601217269 /nfs/dbraw/zinc/21/72/69/601217269.db2.gz HGXUJZZIQFGTFF-UHFFFAOYSA-N -2 3 392.433 1.887 20 0 GDADHL Cc1oc(S(=O)(=O)[N-][C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc1C(=O)[O-] ZINC000833029187 601223214 /nfs/dbraw/zinc/22/32/14/601223214.db2.gz ZAUBQSOAICCKRD-LBPRGKRZSA-N -2 3 388.442 1.868 20 0 GDADHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000831368851 601224621 /nfs/dbraw/zinc/22/46/21/601224621.db2.gz GHLVJTGRBGINJJ-UHFFFAOYSA-N -3 3 397.336 1.810 20 0 GDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC(=O)OCc2ccccc2)c1F ZINC000833110243 601229373 /nfs/dbraw/zinc/22/93/73/601229373.db2.gz NOVIJGHMLFAOSD-UHFFFAOYSA-N -2 3 385.344 1.685 20 0 GDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)c1F ZINC000760101226 601233678 /nfs/dbraw/zinc/23/36/78/601233678.db2.gz UKDQNBHBTHOLOE-AWEZNQCLSA-N -2 3 385.344 1.856 20 0 GDADHL NC(=O)c1cccc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000833085968 601234272 /nfs/dbraw/zinc/23/42/72/601234272.db2.gz GRLCPVXVQJZITQ-UHFFFAOYSA-N -2 3 384.360 1.283 20 0 GDADHL Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833014209 601238607 /nfs/dbraw/zinc/23/86/07/601238607.db2.gz FWRBBQYFECYUIX-QMMMGPOBSA-N -2 3 387.408 1.923 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)cc2)c(C)o1 ZINC000683296696 601271490 /nfs/dbraw/zinc/27/14/90/601271490.db2.gz LRPLCJVMGXBLLM-AWEZNQCLSA-N -2 3 396.421 1.451 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c(C)o1 ZINC000683298330 601280408 /nfs/dbraw/zinc/28/04/08/601280408.db2.gz XMJKDWKZNWPINH-UHFFFAOYSA-N -2 3 380.422 1.613 20 0 GDADHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c1 ZINC000831371177 601405258 /nfs/dbraw/zinc/40/52/58/601405258.db2.gz UWVPUGJAJTWRCO-UHFFFAOYSA-N -2 3 376.350 1.244 20 0 GDADHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1 ZINC000831371177 601405260 /nfs/dbraw/zinc/40/52/60/601405260.db2.gz UWVPUGJAJTWRCO-UHFFFAOYSA-N -2 3 376.350 1.244 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c(C)o1 ZINC000263294130 601489282 /nfs/dbraw/zinc/48/92/82/601489282.db2.gz XLWXWCVGCUHFMY-HNNXBMFYSA-N -2 3 378.406 1.320 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])ccc1F ZINC000274729461 601623594 /nfs/dbraw/zinc/62/35/94/601623594.db2.gz CGUCWPUCBPKCCX-GDLCADMTSA-N -2 3 384.429 1.592 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1F ZINC000274729458 601623680 /nfs/dbraw/zinc/62/36/80/601623680.db2.gz CGUCWPUCBPKCCX-BPNCWPANSA-N -2 3 384.429 1.592 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCCOc2cccc(C(=O)[O-])c2)ccc1F ZINC000831034268 601682770 /nfs/dbraw/zinc/68/27/70/601682770.db2.gz QYCSQPGSAWYCML-UHFFFAOYSA-N -2 3 397.380 1.668 20 0 GDADHL C[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C[C@H]1C(=O)[O-] ZINC000828395163 601709747 /nfs/dbraw/zinc/70/97/47/601709747.db2.gz VGLVQUBRJYTKHO-CMPLNLGQSA-N -2 3 386.445 1.695 20 0 GDADHL C[C@@H](CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1)C(=O)[O-] ZINC000827552541 601789348 /nfs/dbraw/zinc/78/93/48/601789348.db2.gz JOCMIMFHFQDYOB-WMLDXEAASA-N -2 3 390.461 1.877 20 0 GDADHL COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O ZINC000832622921 601812224 /nfs/dbraw/zinc/81/22/24/601812224.db2.gz IPPWDNYPEOSZDC-JTQLQIEISA-N -2 3 380.378 1.070 20 0 GDADHL CCc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)sc1C(=O)OC ZINC000825750226 607531753 /nfs/dbraw/zinc/53/17/53/607531753.db2.gz MWXSYEYTSHRADF-UHFFFAOYSA-N -2 3 394.438 1.473 20 0 GDADHL CCc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)sc1C(=O)OC ZINC000825750226 607531754 /nfs/dbraw/zinc/53/17/54/607531754.db2.gz MWXSYEYTSHRADF-UHFFFAOYSA-N -2 3 394.438 1.473 20 0 GDADHL CCc1ccc(S(=O)(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1C(=O)[O-] ZINC000825717146 607533591 /nfs/dbraw/zinc/53/35/91/607533591.db2.gz HISPFDYVZGORFL-UHFFFAOYSA-N -2 3 387.421 1.952 20 0 GDADHL CCc1ccc(S(=O)(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1C(=O)[O-] ZINC000825717146 607533592 /nfs/dbraw/zinc/53/35/92/607533592.db2.gz HISPFDYVZGORFL-UHFFFAOYSA-N -2 3 387.421 1.952 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)c1-c1nnn[n-]1 ZINC000826304161 607535048 /nfs/dbraw/zinc/53/50/48/607535048.db2.gz ZHZJUMPIAHJQHV-UHFFFAOYSA-N -2 3 396.436 1.771 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)c1-c1nn[n-]n1 ZINC000826304161 607535049 /nfs/dbraw/zinc/53/50/49/607535049.db2.gz ZHZJUMPIAHJQHV-UHFFFAOYSA-N -2 3 396.436 1.771 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)c1-c1nn[n-]n1 ZINC000826304085 607537235 /nfs/dbraw/zinc/53/72/35/607537235.db2.gz VIUQSOFPVHRJJS-UHFFFAOYSA-N -2 3 399.436 1.166 20 0 GDADHL C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313708 602144358 /nfs/dbraw/zinc/14/43/58/602144358.db2.gz SNPQBYMJCKIZMJ-SSDOTTSWSA-N -2 3 378.204 1.304 20 0 GDADHL Cn1cc(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)cn1 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ZMEIBADPGRSEDW-UHFFFAOYSA-N -2 3 386.365 1.106 20 0 GDADHL NC(=O)c1sccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822890610 606980949 /nfs/dbraw/zinc/98/09/49/606980949.db2.gz ZMEIBADPGRSEDW-UHFFFAOYSA-N -2 3 386.365 1.106 20 0 GDADHL COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000821723486 607002591 /nfs/dbraw/zinc/00/25/91/607002591.db2.gz AZXLNWCYABFKHA-UHFFFAOYSA-N -2 3 391.409 1.693 20 0 GDADHL COc1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000821723486 607002593 /nfs/dbraw/zinc/00/25/93/607002593.db2.gz AZXLNWCYABFKHA-UHFFFAOYSA-N -2 3 391.409 1.693 20 0 GDADHL O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000823530892 607026840 /nfs/dbraw/zinc/02/68/40/607026840.db2.gz UOWXLNZRFMLPSD-UHFFFAOYSA-N -2 3 391.438 1.251 20 0 GDADHL CC[C@H](C)[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1)C(=O)[O-] ZINC000821460785 607102823 /nfs/dbraw/zinc/10/28/23/607102823.db2.gz CQCMSHJDIYXVCF-RTHLEPHNSA-N -2 3 392.485 1.895 20 0 GDADHL CC[C@H](C)[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1)C(=O)[O-] ZINC000821460785 607102825 /nfs/dbraw/zinc/10/28/25/607102825.db2.gz CQCMSHJDIYXVCF-RTHLEPHNSA-N -2 3 392.485 1.895 20 0 GDADHL C[C@H](C(=O)[O-])[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819875607 607108179 /nfs/dbraw/zinc/10/81/79/607108179.db2.gz AIOUOMMKQACTQS-SJCJKPOMSA-N -2 3 381.392 1.824 20 0 GDADHL CCc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)oc1CC ZINC000821469616 607156952 /nfs/dbraw/zinc/15/69/52/607156952.db2.gz HIUUZSHRUATQEG-UHFFFAOYSA-N -2 3 375.410 1.703 20 0 GDADHL CCc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)oc1CC ZINC000821469616 607156953 /nfs/dbraw/zinc/15/69/53/607156953.db2.gz HIUUZSHRUATQEG-UHFFFAOYSA-N -2 3 375.410 1.703 20 0 GDADHL CCC(CC)n1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820897477 607250996 /nfs/dbraw/zinc/25/09/96/607250996.db2.gz GHIARCZITIIWMZ-UHFFFAOYSA-N -2 3 389.441 1.543 20 0 GDADHL CCC(CC)n1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820897477 607250997 /nfs/dbraw/zinc/25/09/97/607250997.db2.gz GHIARCZITIIWMZ-UHFFFAOYSA-N -2 3 389.441 1.543 20 0 GDADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000825631849 607816802 /nfs/dbraw/zinc/81/68/02/607816802.db2.gz HFVZYKFMCZGAQQ-UHFFFAOYSA-N -2 3 377.430 1.844 20 0 GDADHL O=S(=O)([N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488209 607818842 /nfs/dbraw/zinc/81/88/42/607818842.db2.gz KNNVPTZLGYHEFQ-FZZIBODNSA-N -2 3 397.407 1.381 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)C1CCOCC1 ZINC000826279171 607924132 /nfs/dbraw/zinc/92/41/32/607924132.db2.gz IAXISVMMJLPZGA-NSHDSACASA-N -2 3 379.442 1.043 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)C1CCOCC1 ZINC000826279171 607924133 /nfs/dbraw/zinc/92/41/33/607924133.db2.gz IAXISVMMJLPZGA-NSHDSACASA-N -2 3 379.442 1.043 20 0 GDADHL O=C([O-])c1cc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cs1 ZINC000826461869 607933667 /nfs/dbraw/zinc/93/36/67/607933667.db2.gz IVBBOLJBCLQIHR-UHFFFAOYSA-N -2 3 377.407 1.378 20 0 GDADHL O=C([O-])c1cc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cs1 ZINC000826461869 607933668 /nfs/dbraw/zinc/93/36/68/607933668.db2.gz IVBBOLJBCLQIHR-UHFFFAOYSA-N -2 3 377.407 1.378 20 0 GDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000824384969 607984728 /nfs/dbraw/zinc/98/47/28/607984728.db2.gz IVGKGGGFGDHGIN-LBPRGKRZSA-N -2 3 386.437 1.402 20 0 GDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000824384969 607984729 /nfs/dbraw/zinc/98/47/29/607984729.db2.gz IVGKGGGFGDHGIN-LBPRGKRZSA-N -2 3 386.437 1.402 20 0 GDADHL O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000826461007 608011266 /nfs/dbraw/zinc/01/12/66/608011266.db2.gz BJKAUTZPHTZNRI-VIFPVBQESA-N -2 3 385.833 1.396 20 0 GDADHL Cn1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000826362216 608076581 /nfs/dbraw/zinc/07/65/81/608076581.db2.gz IVVMIOYALDZRDM-UHFFFAOYSA-N -2 3 396.432 1.406 20 0 GDADHL Cn1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000826362216 608076582 /nfs/dbraw/zinc/07/65/82/608076582.db2.gz IVVMIOYALDZRDM-UHFFFAOYSA-N -2 3 396.432 1.406 20 0 GDADHL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1 ZINC000825668414 608107577 /nfs/dbraw/zinc/10/75/77/608107577.db2.gz FPPXWTJLTSCUJC-UHFFFAOYSA-N -2 3 393.450 1.461 20 0 GDADHL Cc1noc(C2CC2)c1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826339425 608141333 /nfs/dbraw/zinc/14/13/33/608141333.db2.gz DDIOZYFOFOUTSW-UHFFFAOYSA-N -2 3 388.409 1.300 20 0 GDADHL Cc1noc(C2CC2)c1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826339425 608141334 /nfs/dbraw/zinc/14/13/34/608141334.db2.gz DDIOZYFOFOUTSW-UHFFFAOYSA-N -2 3 388.409 1.300 20 0 GDADHL Cc1ccc2cccnc2c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826295531 608144173 /nfs/dbraw/zinc/14/41/73/608144173.db2.gz LOMSYZLJNJUDHH-UHFFFAOYSA-N -2 3 394.416 1.842 20 0 GDADHL Cc1ccc2cccnc2c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826295531 608144174 /nfs/dbraw/zinc/14/41/74/608144174.db2.gz LOMSYZLJNJUDHH-UHFFFAOYSA-N -2 3 394.416 1.842 20 0 GDADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825068089 608473223 /nfs/dbraw/zinc/47/32/23/608473223.db2.gz PMDWUXKOOHXMQS-ZETCQYMHSA-N -2 3 375.357 1.019 20 0 GDADHL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825068089 608473225 /nfs/dbraw/zinc/47/32/25/608473225.db2.gz PMDWUXKOOHXMQS-ZETCQYMHSA-N -2 3 375.357 1.019 20 0 GDADHL CCn1[n-]c(-c2ccccc2)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000825464353 608493900 /nfs/dbraw/zinc/49/39/00/608493900.db2.gz CALMFIMDSDHLCJ-OAHLLOKOSA-N -2 3 375.392 1.688 20 0 GDADHL CCn1[n-]c(-c2ccccc2)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000825464353 608493902 /nfs/dbraw/zinc/49/39/02/608493902.db2.gz CALMFIMDSDHLCJ-OAHLLOKOSA-N -2 3 375.392 1.688 20 0 GDADHL Cn1cnc2cc(C(=O)[N-]S(=O)(=O)Cc3ccccc3-c3nnn[n-]3)ccc21 ZINC000826365062 609255461 /nfs/dbraw/zinc/25/54/61/609255461.db2.gz ZYDCPYGFOGMZMF-UHFFFAOYSA-N -2 3 397.420 1.013 20 0 GDADHL Cn1cnc2cc(C(=O)[N-]S(=O)(=O)Cc3ccccc3-c3nn[n-]n3)ccc21 ZINC000826365062 609255463 /nfs/dbraw/zinc/25/54/63/609255463.db2.gz ZYDCPYGFOGMZMF-UHFFFAOYSA-N -2 3 397.420 1.013 20 0 GDADHL CC[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825184747 609396956 /nfs/dbraw/zinc/39/69/56/609396956.db2.gz YYTSMHCFLCWTDR-DGCLKSJQSA-N -2 3 379.442 1.267 20 0 GDADHL CC[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825184747 609396958 /nfs/dbraw/zinc/39/69/58/609396958.db2.gz YYTSMHCFLCWTDR-DGCLKSJQSA-N -2 3 379.442 1.267 20 0 GDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000825776918 609448119 /nfs/dbraw/zinc/44/81/19/609448119.db2.gz NHDAJEAVIIPFDQ-UHFFFAOYSA-N -2 3 384.399 1.066 20 0 GDADHL CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)cc2C1 ZINC000826147313 609469305 /nfs/dbraw/zinc/46/93/05/609469305.db2.gz SMEBIZAYWNFQRJ-AWEZNQCLSA-N -2 3 389.412 1.920 20 0 GDADHL CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)cc2C1 ZINC000826147313 609469307 /nfs/dbraw/zinc/46/93/07/609469307.db2.gz SMEBIZAYWNFQRJ-AWEZNQCLSA-N -2 3 389.412 1.920 20 0 GDADHL Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC000547548225 650500778 /nfs/dbraw/zinc/50/07/78/650500778.db2.gz IODRJHJJJBZCSL-GFCCVEGCSA-N -2 3 375.809 1.934 20 0 GDADHL Cc1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)C(=O)[O-])sc1Br ZINC000547552594 650501236 /nfs/dbraw/zinc/50/12/36/650501236.db2.gz CSOWECKPRQGIKG-RKDXNWHRSA-N -2 3 398.300 1.977 20 0 GDADHL C[C@@](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)(CC(=O)[O-])C(=O)[O-] ZINC000547608111 650507566 /nfs/dbraw/zinc/50/75/66/650507566.db2.gz MYNHMNBGMREALD-HNNXBMFYSA-N -3 3 384.435 1.654 20 0 GDADHL O=C([O-])COCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000547935985 650524866 /nfs/dbraw/zinc/52/48/66/650524866.db2.gz GHVDOOYTKXGZOU-UHFFFAOYSA-N -2 3 376.843 1.843 20 0 GDADHL Cn1cc(C[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)C(=O)[O-])cn1 ZINC000548213628 650536102 /nfs/dbraw/zinc/53/61/02/650536102.db2.gz DEWXPHUFFWUCRS-JTQLQIEISA-N -2 3 375.809 1.434 20 0 GDADHL Cn1cc(C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cn1 ZINC000548229399 650537493 /nfs/dbraw/zinc/53/74/93/650537493.db2.gz VRRCUGQESWAAMX-NSHDSACASA-N -2 3 378.237 1.701 20 0 GDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(=O)[O-])c1 ZINC000548355489 650543768 /nfs/dbraw/zinc/54/37/68/650543768.db2.gz DYGVPOUIBINEFR-ZDUSSCGKSA-N -2 3 383.447 1.899 20 0 GDADHL Cc1cnn(C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C(=O)[O-])c1 ZINC000548549441 650551721 /nfs/dbraw/zinc/55/17/21/650551721.db2.gz OSAJDADGCROWMV-QMMMGPOBSA-N -2 3 394.272 1.447 20 0 GDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)s1 ZINC000551997182 650616567 /nfs/dbraw/zinc/61/65/67/650616567.db2.gz SYLYKVZEGNFXEU-QMMMGPOBSA-N -2 3 388.389 1.316 20 0 GDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC(C)(C)C2)s1 ZINC000551997511 650616851 /nfs/dbraw/zinc/61/68/51/650616851.db2.gz 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IVEQXBLRGFOGSS-UHFFFAOYSA-N -2 3 378.863 1.366 20 0 GDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)s1 ZINC000275337542 532287866 /nfs/dbraw/zinc/28/78/66/532287866.db2.gz UWDDMJATVVKYLV-JTQLQIEISA-N -2 3 393.483 1.959 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCC[C@@H]2C(=O)[O-])cc1F ZINC000275384239 532291943 /nfs/dbraw/zinc/29/19/43/532291943.db2.gz XSZICVJQPLRTTQ-CYBMUJFWSA-N -2 3 394.446 1.215 20 0 GDADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1)C(=O)[O-] ZINC000276191505 532322402 /nfs/dbraw/zinc/32/24/02/532322402.db2.gz HACFZQJUFDADOO-CQSZACIVSA-N -2 3 378.472 1.426 20 0 GDADHL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735963383 598844724 /nfs/dbraw/zinc/84/47/24/598844724.db2.gz FUHYKTRXDSKLMV-VIFPVBQESA-N -2 3 377.405 1.974 20 0 GDADHL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735963383 598844725 /nfs/dbraw/zinc/84/47/25/598844725.db2.gz FUHYKTRXDSKLMV-VIFPVBQESA-N -2 3 377.405 1.974 20 0 GDADHL CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736377515 598855978 /nfs/dbraw/zinc/85/59/78/598855978.db2.gz ODMLWAKNPAAKNH-HNNXBMFYSA-N -2 3 393.469 1.551 20 0 GDADHL CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736377515 598855981 /nfs/dbraw/zinc/85/59/81/598855981.db2.gz ODMLWAKNPAAKNH-HNNXBMFYSA-N -2 3 393.469 1.551 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(OC)n1 ZINC000737104737 598867272 /nfs/dbraw/zinc/86/72/72/598867272.db2.gz ADTMQVHCJPJLJF-UHFFFAOYSA-N -2 3 396.816 1.733 20 0 GDADHL Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737386122 598909898 /nfs/dbraw/zinc/90/98/98/598909898.db2.gz WFMUEQXODQVMCU-ZDUSSCGKSA-N -2 3 385.449 1.925 20 0 GDADHL Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737386122 598909899 /nfs/dbraw/zinc/90/98/99/598909899.db2.gz WFMUEQXODQVMCU-ZDUSSCGKSA-N -2 3 385.449 1.925 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(C[C@@H]2CCCO2)c1 ZINC000737301696 598930780 /nfs/dbraw/zinc/93/07/80/598930780.db2.gz QULSUHXIUPKSNS-AWEZNQCLSA-N -2 3 389.441 1.351 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)s1 ZINC000821670142 607255197 /nfs/dbraw/zinc/25/51/97/607255197.db2.gz OTNXKFTYTDTLLL-UHFFFAOYSA-N -2 3 379.423 1.824 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)s1 ZINC000821670142 607255198 /nfs/dbraw/zinc/25/51/98/607255198.db2.gz OTNXKFTYTDTLLL-UHFFFAOYSA-N -2 3 379.423 1.824 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccnc1-n1cccn1 ZINC000737300588 598968168 /nfs/dbraw/zinc/96/81/68/598968168.db2.gz CLCZFSWITDOWEE-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cc1cccc(Cl)c1 ZINC000737297882 598976120 /nfs/dbraw/zinc/97/61/20/598976120.db2.gz DLBPSIZEPNGREV-UHFFFAOYSA-N -2 3 391.840 1.876 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cc1cccc(Cl)c1 ZINC000737297882 598976121 /nfs/dbraw/zinc/97/61/21/598976121.db2.gz DLBPSIZEPNGREV-UHFFFAOYSA-N -2 3 391.840 1.876 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCc1cccs1 ZINC000737297939 598978359 /nfs/dbraw/zinc/97/83/59/598978359.db2.gz GNRHIQIKIFIHCA-UHFFFAOYSA-N -2 3 377.451 1.674 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCc1cccs1 ZINC000737297939 598978361 /nfs/dbraw/zinc/97/83/61/598978361.db2.gz GNRHIQIKIFIHCA-UHFFFAOYSA-N -2 3 377.451 1.674 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cnn(-c2ccccc2F)c1 ZINC000823583363 599234313 /nfs/dbraw/zinc/23/43/13/599234313.db2.gz PJRXAXJFBPKYNW-UHFFFAOYSA-N -2 3 386.372 1.387 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cnn(-c2ccccc2F)c1 ZINC000823583363 599234315 /nfs/dbraw/zinc/23/43/15/599234315.db2.gz PJRXAXJFBPKYNW-UHFFFAOYSA-N -2 3 386.372 1.387 20 0 GDADHL O=C1OCCN1c1ccccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738320143 598331074 /nfs/dbraw/zinc/33/10/74/598331074.db2.gz ROCYKUIJVZNOAV-UHFFFAOYSA-N -2 3 386.393 1.624 20 0 GDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(=O)[nH]1 ZINC000737312857 598416456 /nfs/dbraw/zinc/41/64/56/598416456.db2.gz OVNNNDNZGGHIGL-UHFFFAOYSA-N -2 3 394.800 1.048 20 0 GDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(=O)[nH]1 ZINC000737312857 598416457 /nfs/dbraw/zinc/41/64/57/598416457.db2.gz OVNNNDNZGGHIGL-UHFFFAOYSA-N -2 3 394.800 1.048 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ncon2)cc1 ZINC000738140366 598433719 /nfs/dbraw/zinc/43/37/19/598433719.db2.gz STJJGXUTAJZIPF-UHFFFAOYSA-N -2 3 397.376 1.035 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ncon2)cc1 ZINC000738140366 598433721 /nfs/dbraw/zinc/43/37/21/598433721.db2.gz STJJGXUTAJZIPF-UHFFFAOYSA-N -2 3 397.376 1.035 20 0 GDADHL C[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119818 598623876 /nfs/dbraw/zinc/62/38/76/598623876.db2.gz RUVCGDPPJVNFNF-JTQLQIEISA-N -2 3 377.364 1.701 20 0 GDADHL C[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119818 598623878 /nfs/dbraw/zinc/62/38/78/598623878.db2.gz RUVCGDPPJVNFNF-JTQLQIEISA-N -2 3 377.364 1.701 20 0 GDADHL O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738214454 598663729 /nfs/dbraw/zinc/66/37/29/598663729.db2.gz MXLNSNIHJIWUKL-UHFFFAOYSA-N -2 3 389.368 1.455 20 0 GDADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737201325 598673705 /nfs/dbraw/zinc/67/37/05/598673705.db2.gz CMBFJMOTIPBFQQ-UHFFFAOYSA-N -2 3 398.408 1.886 20 0 GDADHL CSc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737191235 598785634 /nfs/dbraw/zinc/78/56/34/598785634.db2.gz AQSQWRZBLLDQDF-UHFFFAOYSA-N -2 3 379.423 1.441 20 0 GDADHL CSc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737191235 598785636 /nfs/dbraw/zinc/78/56/36/598785636.db2.gz AQSQWRZBLLDQDF-UHFFFAOYSA-N -2 3 379.423 1.441 20 0 GDADHL C[C@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736259605 598801710 /nfs/dbraw/zinc/80/17/10/598801710.db2.gz FRLOEHSKUZWPTL-AAEUAGOBSA-N -2 3 379.442 1.267 20 0 GDADHL C[C@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736259605 598801712 /nfs/dbraw/zinc/80/17/12/598801712.db2.gz FRLOEHSKUZWPTL-AAEUAGOBSA-N -2 3 379.442 1.267 20 0 GDADHL C[C@@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736259610 598801737 /nfs/dbraw/zinc/80/17/37/598801737.db2.gz FRLOEHSKUZWPTL-YPMHNXCESA-N -2 3 379.442 1.267 20 0 GDADHL C[C@@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736259610 598801739 /nfs/dbraw/zinc/80/17/39/598801739.db2.gz FRLOEHSKUZWPTL-YPMHNXCESA-N -2 3 379.442 1.267 20 0 GDADHL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(O)c1 ZINC000736602428 599455826 /nfs/dbraw/zinc/45/58/26/599455826.db2.gz KEQFRVCKWGMQMR-UHFFFAOYSA-N -2 3 389.393 1.550 20 0 GDADHL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(O)c1 ZINC000736602428 599455828 /nfs/dbraw/zinc/45/58/28/599455828.db2.gz KEQFRVCKWGMQMR-UHFFFAOYSA-N -2 3 389.393 1.550 20 0 GDADHL C[C@@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736059103 599617686 /nfs/dbraw/zinc/61/76/86/599617686.db2.gz QGHJUDLPXOSHTB-NSHDSACASA-N -2 3 389.412 1.690 20 0 GDADHL C[C@@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736059103 599617688 /nfs/dbraw/zinc/61/76/88/599617688.db2.gz QGHJUDLPXOSHTB-NSHDSACASA-N -2 3 389.412 1.690 20 0 GDADHL C[C@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)O1 ZINC000820690482 599619752 /nfs/dbraw/zinc/61/97/52/599619752.db2.gz MVYZXGMUIZMCTD-AAEUAGOBSA-N -2 3 379.442 1.160 20 0 GDADHL C[C@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)O1 ZINC000820690482 599619753 /nfs/dbraw/zinc/61/97/53/599619753.db2.gz MVYZXGMUIZMCTD-AAEUAGOBSA-N -2 3 379.442 1.160 20 0 GDADHL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000821566505 599619959 /nfs/dbraw/zinc/61/99/59/599619959.db2.gz HLHOZIJJVBCVQU-UHFFFAOYSA-N -2 3 395.832 1.164 20 0 GDADHL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000821566505 599619960 /nfs/dbraw/zinc/61/99/60/599619960.db2.gz HLHOZIJJVBCVQU-UHFFFAOYSA-N -2 3 395.832 1.164 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000822153582 599695007 /nfs/dbraw/zinc/69/50/07/599695007.db2.gz NCJPVEFYNJBEEE-UHFFFAOYSA-N -3 3 375.366 1.380 20 0 GDADHL Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000057784011 599752394 /nfs/dbraw/zinc/75/23/94/599752394.db2.gz KHNAVPQFYOOCFH-UHFFFAOYSA-N -2 3 377.357 1.609 20 0 GDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000738914968 599761907 /nfs/dbraw/zinc/76/19/07/599761907.db2.gz JFTDAKYGVHRUAH-SNVBAGLBSA-N -2 3 379.772 1.764 20 0 GDADHL Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccc1F ZINC000738936508 599765315 /nfs/dbraw/zinc/76/53/15/599765315.db2.gz GVNDFFMBJXNSMM-UHFFFAOYSA-N -2 3 393.356 1.314 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)o1 ZINC000740176887 599774985 /nfs/dbraw/zinc/77/49/85/599774985.db2.gz WWKMZWKDHQOROV-CYBMUJFWSA-N -2 3 394.405 1.574 20 0 GDADHL CC(C)(C)OC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000736274965 599776718 /nfs/dbraw/zinc/77/67/18/599776718.db2.gz XGDNBPJEEXKTSY-LLVKDONJSA-N -2 3 388.442 1.903 20 0 GDADHL Cc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC000738508202 599778595 /nfs/dbraw/zinc/77/85/95/599778595.db2.gz VWZWBDGBZDBFMY-UHFFFAOYSA-N -2 3 392.433 1.869 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccc(OC)cc1 ZINC000737577310 599798516 /nfs/dbraw/zinc/79/85/16/599798516.db2.gz JMRPWKSDYVYNDE-INIZCTEOSA-N -2 3 393.417 1.894 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000826249883 607399643 /nfs/dbraw/zinc/39/96/43/607399643.db2.gz ZPLKVFUZIWJSAY-UHFFFAOYSA-N -2 3 384.421 1.212 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000826249883 607399645 /nfs/dbraw/zinc/39/96/45/607399645.db2.gz ZPLKVFUZIWJSAY-UHFFFAOYSA-N -2 3 384.421 1.212 20 0 GDADHL COC(=O)c1csc(S(=O)(=O)[N-]CCOc2ccc(C(=O)[O-])cc2)c1 ZINC000737714528 599939965 /nfs/dbraw/zinc/93/99/65/599939965.db2.gz STVQPZFYZKKGMS-UHFFFAOYSA-N -2 3 385.419 1.590 20 0 GDADHL O=C([O-])c1ccc(-c2noc(Cn3cc(Br)c(=O)[n-]c3=O)n2)cc1 ZINC000740101293 600246006 /nfs/dbraw/zinc/24/60/06/600246006.db2.gz FVIPIKAWXZKNHP-UHFFFAOYSA-N -2 3 393.153 1.508 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)CN2CCOCC2)o1 ZINC000740172778 600349703 /nfs/dbraw/zinc/34/97/03/600349703.db2.gz HCYSTVFNIHWFBK-OAHLLOKOSA-N -2 3 394.449 1.200 20 0 GDADHL Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000738526058 600367561 /nfs/dbraw/zinc/36/75/61/600367561.db2.gz OXEUPQJRPQCMCS-SNVBAGLBSA-N -2 3 396.355 1.761 20 0 GDADHL CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1COC(=O)c1cncc([O-])c1 ZINC000737505043 600371026 /nfs/dbraw/zinc/37/10/26/600371026.db2.gz BQMHFIVGKHDTQI-INIZCTEOSA-N -2 3 383.360 1.679 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(C(C)C)nc1 ZINC000822224183 607444884 /nfs/dbraw/zinc/44/48/84/607444884.db2.gz YXSCGDKTDSYUND-UHFFFAOYSA-N -2 3 386.437 1.812 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(C(C)C)nc1 ZINC000822224183 607444885 /nfs/dbraw/zinc/44/48/85/607444885.db2.gz YXSCGDKTDSYUND-UHFFFAOYSA-N -2 3 386.437 1.812 20 0 GDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)[O-])o2)ccc1F ZINC000736478353 600480359 /nfs/dbraw/zinc/48/03/59/600480359.db2.gz YPRNHVZGLNDVQM-UHFFFAOYSA-N -2 3 384.385 1.734 20 0 GDADHL COc1ccc(CC(=O)[N-]OCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1OC ZINC000737985327 600499217 /nfs/dbraw/zinc/49/92/17/600499217.db2.gz UYLYFWAXISMDPS-UHFFFAOYSA-N -2 3 388.376 1.631 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c(F)c1 ZINC000738164593 600514792 /nfs/dbraw/zinc/51/47/92/600514792.db2.gz VUCMEBXKXNJXED-UHFFFAOYSA-N -3 3 389.386 1.091 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CNC(C)=O)cc2)cc1C(=O)[O-] ZINC000497952397 600545086 /nfs/dbraw/zinc/54/50/86/600545086.db2.gz CAZHDYRPNNQIEK-UHFFFAOYSA-N -2 3 378.406 1.830 20 0 GDADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000739200685 600654252 /nfs/dbraw/zinc/65/42/52/600654252.db2.gz HXWZVGDMVXVOBI-MRVPVSSYSA-N -2 3 397.185 1.178 20 0 GDADHL C[C@H]([N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000827767740 600756457 /nfs/dbraw/zinc/75/64/57/600756457.db2.gz JGNCKBPQXADWTO-NSHDSACASA-N -2 3 376.394 1.662 20 0 GDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)[C@H]1CCOC1 ZINC000827747372 600769694 /nfs/dbraw/zinc/76/96/94/600769694.db2.gz MUAUUSOXMGLRIF-SFYZADRCSA-N -2 3 396.234 1.990 20 0 GDADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N(C)C[C@H](C)C(=O)[O-])CCCC1 ZINC000262910224 600948879 /nfs/dbraw/zinc/94/88/79/600948879.db2.gz CQCWWYBKFVEZEF-JTQLQIEISA-N -2 3 387.458 1.062 20 0 GDADHL CCOC(=O)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)Cc1ccccc1 ZINC000829822184 601218903 /nfs/dbraw/zinc/21/89/03/601218903.db2.gz AWRRYEFHTAYUBC-AWEZNQCLSA-N -2 3 395.433 1.987 20 0 GDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2nnc3n2CCCCC3)c1F 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DHIPCNXUGOSKTN-UHFFFAOYSA-N -2 3 395.426 1.004 20 0 GDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000820541623 607105868 /nfs/dbraw/zinc/10/58/68/607105868.db2.gz HOUIYLYZYRLIKK-QWRGUYRKSA-N -2 3 377.426 1.053 20 0 GDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000820541623 607105870 /nfs/dbraw/zinc/10/58/70/607105870.db2.gz HOUIYLYZYRLIKK-QWRGUYRKSA-N -2 3 377.426 1.053 20 0 GDADHL O=C([O-])CC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823387258 607106401 /nfs/dbraw/zinc/10/64/01/607106401.db2.gz GTZIXXMPZWKONP-INIZCTEOSA-N -2 3 381.392 1.968 20 0 GDADHL O=S(=O)([N-]c1ccccc1O[C@@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC000823589000 607113474 /nfs/dbraw/zinc/11/34/74/607113474.db2.gz HKIDJJMRQQJULL-CYBMUJFWSA-N -2 3 387.421 1.835 20 0 GDADHL O=S(=O)([N-]c1ccccc1O[C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC000823589000 607113475 /nfs/dbraw/zinc/11/34/75/607113475.db2.gz HKIDJJMRQQJULL-CYBMUJFWSA-N -2 3 387.421 1.835 20 0 GDADHL 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CCn1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821567997 606355560 /nfs/dbraw/zinc/35/55/60/606355560.db2.gz CSMWNPIDWKVVBQ-UHFFFAOYSA-N -2 3 387.347 1.903 20 0 GDADHL CCn1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821567997 606355561 /nfs/dbraw/zinc/35/55/61/606355561.db2.gz CSMWNPIDWKVVBQ-UHFFFAOYSA-N -2 3 387.347 1.903 20 0 GDADHL O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822950692 606410322 /nfs/dbraw/zinc/41/03/22/606410322.db2.gz XPHHEWSRINJLBG-SECBINFHSA-N -2 3 385.833 1.142 20 0 GDADHL O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822950692 606410324 /nfs/dbraw/zinc/41/03/24/606410324.db2.gz XPHHEWSRINJLBG-SECBINFHSA-N -2 3 385.833 1.142 20 0 GDADHL CCn1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C1CC1 ZINC000821568037 606624522 /nfs/dbraw/zinc/62/45/22/606624522.db2.gz FAMCEHRRJJNLQU-UHFFFAOYSA-N -2 3 377.405 1.900 20 0 GDADHL CCn1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C1CC1 ZINC000821568037 606624523 /nfs/dbraw/zinc/62/45/23/606624523.db2.gz FAMCEHRRJJNLQU-UHFFFAOYSA-N -2 3 377.405 1.900 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(F)cc1F ZINC000822211554 606654593 /nfs/dbraw/zinc/65/45/93/606654593.db2.gz DRNRHBHHWCXPDL-UHFFFAOYSA-N -2 3 393.375 1.501 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(F)cc1F ZINC000822211554 606654594 /nfs/dbraw/zinc/65/45/94/606654594.db2.gz DRNRHBHHWCXPDL-UHFFFAOYSA-N -2 3 393.375 1.501 20 0 GDADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000822227233 606764183 /nfs/dbraw/zinc/76/41/83/606764183.db2.gz AKFBKLNVBMUYFC-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cnn1C ZINC000822122308 606765280 /nfs/dbraw/zinc/76/52/80/606765280.db2.gz KTNFZLCBJPXRCR-UHFFFAOYSA-N -2 3 387.347 1.728 20 0 GDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cnn1C ZINC000822122308 606765281 /nfs/dbraw/zinc/76/52/81/606765281.db2.gz KTNFZLCBJPXRCR-UHFFFAOYSA-N -2 3 387.347 1.728 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000823387580 606866639 /nfs/dbraw/zinc/86/66/39/606866639.db2.gz PPOCXMYREPJHFS-UHFFFAOYSA-N -3 3 399.310 1.783 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000823387580 606866641 /nfs/dbraw/zinc/86/66/41/606866641.db2.gz PPOCXMYREPJHFS-UHFFFAOYSA-N -3 3 399.310 1.783 20 0 GDADHL O=S(=O)([N-]Cc1cn2c(n1)CCCC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578157 606889687 /nfs/dbraw/zinc/88/96/87/606889687.db2.gz IXDVMRYLXIAMCL-UHFFFAOYSA-N -2 3 395.395 1.156 20 0 GDADHL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822203504 606899389 /nfs/dbraw/zinc/89/93/89/606899389.db2.gz XBXJMINQYQPOSQ-UHFFFAOYSA-N -2 3 391.384 1.198 20 0 GDADHL COC(=O)c1nscc1[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821671256 606980577 /nfs/dbraw/zinc/98/05/77/606980577.db2.gz ONGSDVKFTNJJCZ-UHFFFAOYSA-N -2 3 380.411 1.219 20 0 GDADHL COC(=O)c1nscc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821671256 606980578 /nfs/dbraw/zinc/98/05/78/606980578.db2.gz ONGSDVKFTNJJCZ-UHFFFAOYSA-N -2 3 380.411 1.219 20 0 GDADHL O=S(=O)([N-]c1nnc(CC(F)(F)F)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823589175 606981187 /nfs/dbraw/zinc/98/11/87/606981187.db2.gz REVVADURXGVUEU-UHFFFAOYSA-N -2 3 391.360 1.624 20 0 GDADHL O=S(=O)([N-]c1nnc(CC(F)(F)F)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823589175 606981188 /nfs/dbraw/zinc/98/11/88/606981188.db2.gz REVVADURXGVUEU-UHFFFAOYSA-N -2 3 391.360 1.624 20 0 GDADHL O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573521 607006608 /nfs/dbraw/zinc/00/66/08/607006608.db2.gz VYZUOGZUTHDPCZ-NSHDSACASA-N -2 3 381.368 1.224 20 0 GDADHL O=C([O-])[C@@]1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCc2ccccc21 ZINC000823031916 607107853 /nfs/dbraw/zinc/10/78/53/607107853.db2.gz JRKHVOKQXROTFF-LJQANCHMSA-N -2 3 379.376 1.288 20 0 GDADHL O=C([O-])C[C@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823387648 607207652 /nfs/dbraw/zinc/20/76/52/607207652.db2.gz SFYARKWMMMUFAP-HNNXBMFYSA-N -2 3 387.421 1.502 20 0 GDADHL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823387773 607207879 /nfs/dbraw/zinc/20/78/79/607207879.db2.gz XFNQKIJTAZVJCT-KKUMJFAQSA-N -2 3 391.453 1.414 20 0 GDADHL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823387773 607207880 /nfs/dbraw/zinc/20/78/80/607207880.db2.gz XFNQKIJTAZVJCT-KKUMJFAQSA-N -2 3 391.453 1.414 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccn1 ZINC000822154419 607223811 /nfs/dbraw/zinc/22/38/11/607223811.db2.gz WFRNMDCKDSWHFJ-UHFFFAOYSA-N -2 3 382.409 1.761 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccn1 ZINC000822154419 607223812 /nfs/dbraw/zinc/22/38/12/607223812.db2.gz WFRNMDCKDSWHFJ-UHFFFAOYSA-N -2 3 382.409 1.761 20 0 GDADHL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1C(=O)[O-] ZINC000826268048 607809655 /nfs/dbraw/zinc/80/96/55/607809655.db2.gz HWVCQKVZVPOBRA-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826461801 607934481 /nfs/dbraw/zinc/93/44/81/607934481.db2.gz HAYXBQCDKMTAFE-UHFFFAOYSA-N -2 3 389.368 1.455 20 0 GDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826461801 607934482 /nfs/dbraw/zinc/93/44/82/607934482.db2.gz HAYXBQCDKMTAFE-UHFFFAOYSA-N -2 3 389.368 1.455 20 0 GDADHL O=S(=O)([N-][C@H](c1cccnc1)C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487049 607974430 /nfs/dbraw/zinc/97/44/30/607974430.db2.gz BORLJGFMIIEILI-AWEZNQCLSA-N -2 3 392.391 1.970 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000826255592 608011674 /nfs/dbraw/zinc/01/16/74/608011674.db2.gz CRSYPVACUUZFLO-CQSZACIVSA-N -2 3 387.421 1.149 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000826255592 608011675 /nfs/dbraw/zinc/01/16/75/608011675.db2.gz CRSYPVACUUZFLO-CQSZACIVSA-N -2 3 387.421 1.149 20 0 GDADHL Cc1nc([N-]S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)no1 ZINC000826327355 608107732 /nfs/dbraw/zinc/10/77/32/608107732.db2.gz DVLCMWPRUOPNIM-UHFFFAOYSA-N -2 3 386.191 1.121 20 0 GDADHL Cc1nc([N-]S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)no1 ZINC000826327355 608107733 /nfs/dbraw/zinc/10/77/33/608107733.db2.gz DVLCMWPRUOPNIM-UHFFFAOYSA-N -2 3 386.191 1.121 20 0 GDADHL Cc1c(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cnn1-c1ccccn1 ZINC000826243131 608107950 /nfs/dbraw/zinc/10/79/50/608107950.db2.gz VWACSQKSEOWLAU-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL CCCOc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000825342940 608146012 /nfs/dbraw/zinc/14/60/12/608146012.db2.gz YSWJOFAFXCWXBA-UHFFFAOYSA-N -2 3 393.450 1.836 20 0 GDADHL CCCOc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000825342940 608146013 /nfs/dbraw/zinc/14/60/13/608146013.db2.gz YSWJOFAFXCWXBA-UHFFFAOYSA-N -2 3 393.450 1.836 20 0 GDADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000826418731 608146580 /nfs/dbraw/zinc/14/65/80/608146580.db2.gz UFZUDKYDLTUQQC-UHFFFAOYSA-N -2 3 391.384 1.031 20 0 GDADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000826418731 608146581 /nfs/dbraw/zinc/14/65/81/608146581.db2.gz UFZUDKYDLTUQQC-UHFFFAOYSA-N -2 3 391.384 1.031 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cc(C)c1F ZINC000826260568 608180445 /nfs/dbraw/zinc/18/04/45/608180445.db2.gz VASZHPLUTMFOJF-UHFFFAOYSA-N -2 3 389.412 1.882 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cc(C)c1F ZINC000826260568 608180447 /nfs/dbraw/zinc/18/04/47/608180447.db2.gz VASZHPLUTMFOJF-UHFFFAOYSA-N -2 3 389.412 1.882 20 0 GDADHL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000826318999 608294431 /nfs/dbraw/zinc/29/44/31/608294431.db2.gz JTPBXRZNPOBCSJ-UHFFFAOYSA-N -2 3 389.441 1.740 20 0 GDADHL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000826318999 608294433 /nfs/dbraw/zinc/29/44/33/608294433.db2.gz JTPBXRZNPOBCSJ-UHFFFAOYSA-N -2 3 389.441 1.740 20 0 GDADHL O=S(=O)([N-]Cc1cc(Cl)ccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826491809 608567407 /nfs/dbraw/zinc/56/74/07/608567407.db2.gz CJYCKEZZBKCJEI-UHFFFAOYSA-N -2 3 386.771 1.672 20 0 GDADHL CCC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825255215 609139211 /nfs/dbraw/zinc/13/92/11/609139211.db2.gz WKXFCJBSCIAANM-STQMWFEESA-N -2 3 379.442 1.267 20 0 GDADHL CCC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825255215 609139212 /nfs/dbraw/zinc/13/92/12/609139212.db2.gz WKXFCJBSCIAANM-STQMWFEESA-N -2 3 379.442 1.267 20 0 GDADHL Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)o1 ZINC000826292595 609274357 /nfs/dbraw/zinc/27/43/57/609274357.db2.gz BZASTDZULZLVIZ-UHFFFAOYSA-N -2 3 389.372 1.894 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cnn([C@@H]2CCOC2)c1 ZINC000826492469 609338713 /nfs/dbraw/zinc/33/87/13/609338713.db2.gz MLSWDJJROJTOBL-SNVBAGLBSA-N -2 3 395.832 1.479 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnn([C@@H]2CCOC2)c1 ZINC000826492469 609338716 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Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C(N)=O)cc1F ZINC000737281763 598844985 /nfs/dbraw/zinc/84/49/85/598844985.db2.gz YSRZCGRJNULHHK-UHFFFAOYSA-N -2 3 394.363 1.353 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C(N)=O)cc1F ZINC000737281763 598844987 /nfs/dbraw/zinc/84/49/87/598844987.db2.gz YSRZCGRJNULHHK-UHFFFAOYSA-N -2 3 394.363 1.353 20 0 GDADHL O=S(=O)([N-]c1ccc(-n2cccn2)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738344279 598842822 /nfs/dbraw/zinc/84/28/22/598842822.db2.gz FSFKPVCVJPKMII-UHFFFAOYSA-N -2 3 386.372 1.387 20 0 GDADHL O=S(=O)([N-]c1ccc(-n2cccn2)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738344279 598842824 /nfs/dbraw/zinc/84/28/24/598842824.db2.gz FSFKPVCVJPKMII-UHFFFAOYSA-N -2 3 386.372 1.387 20 0 GDADHL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736348333 598858046 /nfs/dbraw/zinc/85/80/46/598858046.db2.gz AAAIDWKDSMHDGS-OAHLLOKOSA-N -2 3 395.485 1.905 20 0 GDADHL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736348333 598858048 /nfs/dbraw/zinc/85/80/48/598858048.db2.gz AAAIDWKDSMHDGS-OAHLLOKOSA-N -2 3 395.485 1.905 20 0 GDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000821667131 607254722 /nfs/dbraw/zinc/25/47/22/607254722.db2.gz WGGCGGRGPNVGMN-UHFFFAOYSA-N -2 3 391.384 1.902 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)cn1C ZINC000821667925 607255069 /nfs/dbraw/zinc/25/50/69/607255069.db2.gz HASGYLDUPRXJHL-UHFFFAOYSA-N -2 3 376.398 1.101 20 0 GDADHL Cc1nc(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cs1 ZINC000737470889 598976690 /nfs/dbraw/zinc/97/66/90/598976690.db2.gz CBBFGTXSFLDKDD-UHFFFAOYSA-N -2 3 392.466 1.378 20 0 GDADHL Cc1nc(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cs1 ZINC000737470889 598976691 /nfs/dbraw/zinc/97/66/91/598976691.db2.gz CBBFGTXSFLDKDD-UHFFFAOYSA-N -2 3 392.466 1.378 20 0 GDADHL CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000735844508 599196669 /nfs/dbraw/zinc/19/66/69/599196669.db2.gz MQDJWCIJEORFAJ-UHFFFAOYSA-N -2 3 375.414 1.492 20 0 GDADHL COC(=O)c1sc2[n-]c(CN3CCC[C@H](CC(=O)[O-])C3)nc(=O)c2c1C ZINC000818528184 597083708 /nfs/dbraw/zinc/08/37/08/597083708.db2.gz MOPPEXMWDADOHT-SNVBAGLBSA-N -2 3 379.438 1.766 20 0 GDADHL Cc1nc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000826323334 607777676 /nfs/dbraw/zinc/77/76/76/607777676.db2.gz AFTLYZLPEUXTEN-UHFFFAOYSA-N -2 3 378.439 1.200 20 0 GDADHL Cc1nc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000826323334 607777677 /nfs/dbraw/zinc/77/76/77/607777677.db2.gz AFTLYZLPEUXTEN-UHFFFAOYSA-N -2 3 378.439 1.200 20 0 GDADHL CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000818229556 597535343 /nfs/dbraw/zinc/53/53/43/597535343.db2.gz XOUHLRUGORSLOU-ZJUUUORDSA-N -2 3 379.438 1.937 20 0 GDADHL Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737219053 598376723 /nfs/dbraw/zinc/37/67/23/598376723.db2.gz PHGTYBFYUVOSAT-UHFFFAOYSA-N -2 3 397.420 1.867 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(C2CC2)n[nH]1 ZINC000738138034 598415470 /nfs/dbraw/zinc/41/54/70/598415470.db2.gz CKSBTSMMLVPSES-UHFFFAOYSA-N -2 3 393.816 1.239 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(C2CC2)n[nH]1 ZINC000738138034 598415471 /nfs/dbraw/zinc/41/54/71/598415471.db2.gz CKSBTSMMLVPSES-UHFFFAOYSA-N -2 3 393.816 1.239 20 0 GDADHL CSc1ccsc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737189701 598433285 /nfs/dbraw/zinc/43/32/85/598433285.db2.gz AKCDDZRITUIESQ-UHFFFAOYSA-N -2 3 395.491 1.910 20 0 GDADHL CSc1ccsc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737189701 598433287 /nfs/dbraw/zinc/43/32/87/598433287.db2.gz AKCDDZRITUIESQ-UHFFFAOYSA-N -2 3 395.491 1.910 20 0 GDADHL Cn1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)n1 ZINC000737614643 598450940 /nfs/dbraw/zinc/45/09/40/598450940.db2.gz ZUGVYHBBFUCPKK-UHFFFAOYSA-N -2 3 398.408 1.588 20 0 GDADHL CCn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)cn1 ZINC000736721544 598451795 /nfs/dbraw/zinc/45/17/95/598451795.db2.gz DNMJRUDXOQKNSH-UHFFFAOYSA-N -2 3 377.430 1.671 20 0 GDADHL O=S(=O)([N-]c1ccn(CCc2ccncc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000738341084 598496173 /nfs/dbraw/zinc/49/61/73/598496173.db2.gz FCFQICWXRZHRBD-UHFFFAOYSA-N -2 3 396.436 1.502 20 0 GDADHL O=S(=O)([N-]c1ccn(CCc2ccncc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000738341084 598496176 /nfs/dbraw/zinc/49/61/76/598496176.db2.gz FCFQICWXRZHRBD-UHFFFAOYSA-N -2 3 396.436 1.502 20 0 GDADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000737918540 598504464 /nfs/dbraw/zinc/50/44/64/598504464.db2.gz JJDQQEXBUVYWRF-UHFFFAOYSA-N -2 3 379.336 1.228 20 0 GDADHL O=S(=O)([N-]c1ccc2c(c1)OC(F)(F)O2)c1ccccc1-c1nnn[n-]1 ZINC000738342873 598513904 /nfs/dbraw/zinc/51/39/04/598513904.db2.gz RTJHWLNGTKSMGY-UHFFFAOYSA-N -2 3 381.320 1.989 20 0 GDADHL O=S(=O)([N-]c1ccc2c(c1)OC(F)(F)O2)c1ccccc1-c1nn[n-]n1 ZINC000738342873 598513906 /nfs/dbraw/zinc/51/39/06/598513906.db2.gz RTJHWLNGTKSMGY-UHFFFAOYSA-N -2 3 381.320 1.989 20 0 GDADHL COCCOc1ncccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737013431 598548791 /nfs/dbraw/zinc/54/87/91/598548791.db2.gz ICVWTYDNHIEROO-UHFFFAOYSA-N -2 3 376.398 1.088 20 0 GDADHL COCCOc1ncccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737013431 598548793 /nfs/dbraw/zinc/54/87/93/598548793.db2.gz ICVWTYDNHIEROO-UHFFFAOYSA-N -2 3 376.398 1.088 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000735550771 598564345 /nfs/dbraw/zinc/56/43/45/598564345.db2.gz LEMKTIGDZZAABW-LLVKDONJSA-N -2 3 389.412 1.756 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000735550771 598564346 /nfs/dbraw/zinc/56/43/46/598564346.db2.gz LEMKTIGDZZAABW-LLVKDONJSA-N -2 3 389.412 1.756 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1Br ZINC000738345881 598638648 /nfs/dbraw/zinc/63/86/48/598638648.db2.gz QHZOLLQNEACFGG-UHFFFAOYSA-N -2 3 399.205 1.964 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1Br ZINC000738345881 598638650 /nfs/dbraw/zinc/63/86/50/598638650.db2.gz QHZOLLQNEACFGG-UHFFFAOYSA-N -2 3 399.205 1.964 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000737236870 598786583 /nfs/dbraw/zinc/78/65/83/598786583.db2.gz SZUKWFIKJRYBDX-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000737236870 598786585 /nfs/dbraw/zinc/78/65/85/598786585.db2.gz SZUKWFIKJRYBDX-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL Cn1nc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737619505 599323999 /nfs/dbraw/zinc/32/39/99/599323999.db2.gz UEDZTHLSQJVKMA-UHFFFAOYSA-N -2 3 382.409 1.463 20 0 GDADHL Cn1nc(-c2ccncc2)cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737619505 599324001 /nfs/dbraw/zinc/32/40/01/599324001.db2.gz UEDZTHLSQJVKMA-UHFFFAOYSA-N -2 3 382.409 1.463 20 0 GDADHL CCn1cnc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821566847 607376124 /nfs/dbraw/zinc/37/61/24/607376124.db2.gz XDJHHVKGKIQRGC-UHFFFAOYSA-N -2 3 377.430 1.671 20 0 GDADHL CCn1cnc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821566847 607376126 /nfs/dbraw/zinc/37/61/26/607376126.db2.gz XDJHHVKGKIQRGC-UHFFFAOYSA-N -2 3 377.430 1.671 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1(c2ccccc2F)CC1 ZINC000738138010 599517605 /nfs/dbraw/zinc/51/76/05/599517605.db2.gz CCSAPXVSFHSMDY-UHFFFAOYSA-N -2 3 387.396 1.543 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1(c2ccccc2F)CC1 ZINC000738138010 599517607 /nfs/dbraw/zinc/51/76/07/599517607.db2.gz CCSAPXVSFHSMDY-UHFFFAOYSA-N -2 3 387.396 1.543 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000735550687 599617267 /nfs/dbraw/zinc/61/72/67/599617267.db2.gz KJBUGCXEJNYNBC-JTQLQIEISA-N -2 3 377.451 1.678 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000735550687 599617269 /nfs/dbraw/zinc/61/72/69/599617269.db2.gz KJBUGCXEJNYNBC-JTQLQIEISA-N -2 3 377.451 1.678 20 0 GDADHL COc1cccc(N2CC[C@@H](C[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)c1 ZINC000738102115 599778601 /nfs/dbraw/zinc/77/86/01/599778601.db2.gz GSCVSOATMGVXCL-LBPRGKRZSA-N -2 3 380.422 1.791 20 0 GDADHL CCOc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1OCC(=O)[O-] ZINC000737186724 599928765 /nfs/dbraw/zinc/92/87/65/599928765.db2.gz VJHTWWFIPOSOAA-UHFFFAOYSA-N -2 3 383.364 1.981 20 0 GDADHL CCOc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1OCC(=O)[O-] ZINC000737186724 599928769 /nfs/dbraw/zinc/92/87/69/599928769.db2.gz VJHTWWFIPOSOAA-UHFFFAOYSA-N -2 3 383.364 1.981 20 0 GDADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000826422065 607413612 /nfs/dbraw/zinc/41/36/12/607413612.db2.gz LEOREOMFEGYOBZ-UHFFFAOYSA-N -2 3 393.375 1.334 20 0 GDADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000826422065 607413613 /nfs/dbraw/zinc/41/36/13/607413613.db2.gz LEOREOMFEGYOBZ-UHFFFAOYSA-N -2 3 393.375 1.334 20 0 GDADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000737572446 600339406 /nfs/dbraw/zinc/33/94/06/600339406.db2.gz CDLCWQNBLHSIBV-JTQLQIEISA-N -2 3 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CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCO1 ZINC000330445522 532124437 /nfs/dbraw/zinc/12/44/37/532124437.db2.gz ULIBQNCEKIADKL-NSHDSACASA-N -2 3 380.463 1.433 20 0 GDADHL C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273619649 532160040 /nfs/dbraw/zinc/16/00/40/532160040.db2.gz AGYZPZCDILHQRL-SSDOTTSWSA-N -2 3 394.272 1.772 20 0 GDADHL CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427307924 532180541 /nfs/dbraw/zinc/18/05/41/532180541.db2.gz KKWZUYNSGZSUNM-UHFFFAOYSA-N -2 3 388.398 1.233 20 0 GDADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])s2)cs1 ZINC000274890798 532240750 /nfs/dbraw/zinc/24/07/50/532240750.db2.gz FWDXCRIJPVQSMX-SSDOTTSWSA-N -3 3 376.437 1.386 20 0 GDADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000274926448 532243055 /nfs/dbraw/zinc/24/30/55/532243055.db2.gz CCEJFIKXBXOGOB-SECBINFHSA-N -2 3 383.875 1.665 20 0 GDADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000274952302 532245667 /nfs/dbraw/zinc/24/56/67/532245667.db2.gz ICHUVYPXSOTPMP-VIFPVBQESA-N -2 3 378.834 1.126 20 0 GDADHL COC(=O)c1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c1 ZINC000274962291 532247652 /nfs/dbraw/zinc/24/76/52/532247652.db2.gz HSKAMXPMLOXUNI-QMMMGPOBSA-N -2 3 394.243 1.767 20 0 GDADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1 ZINC000274997718 532251476 /nfs/dbraw/zinc/25/14/76/532251476.db2.gz NOHQIKLLDFXQDW-UHFFFAOYSA-N -2 3 391.829 1.286 20 0 GDADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])s1 ZINC000275021262 532254206 /nfs/dbraw/zinc/25/42/06/532254206.db2.gz DHPKBRDBLWQKEY-ZETCQYMHSA-N -3 3 386.245 1.415 20 0 GDADHL CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000275165187 532271921 /nfs/dbraw/zinc/27/19/21/532271921.db2.gz BEDCELDYBYSWAD-JTQLQIEISA-N -2 3 381.809 1.942 20 0 GDADHL CSCC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000275043778 532257433 /nfs/dbraw/zinc/25/74/33/532257433.db2.gz HIAZIZGHQYNFRG-SNVBAGLBSA-N -2 3 376.431 1.195 20 0 GDADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl)C(=O)[O-] ZINC000275067896 532260625 /nfs/dbraw/zinc/26/06/25/532260625.db2.gz VXKLBUOFUULODX-NSHDSACASA-N -2 3 377.802 1.227 20 0 GDADHL Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000275127414 532267917 /nfs/dbraw/zinc/26/79/17/532267917.db2.gz UUQNSEBIPJXYCI-CYBMUJFWSA-N -2 3 375.809 1.934 20 0 GDADHL COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000275290299 532283985 /nfs/dbraw/zinc/28/39/85/532283985.db2.gz PGZWRWISBUJIOS-SECBINFHSA-N -2 3 398.206 1.273 20 0 GDADHL COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])s1 ZINC000276212600 532322998 /nfs/dbraw/zinc/32/29/98/532322998.db2.gz KPUMNOUHLIPKKF-SNVBAGLBSA-N -2 3 378.472 1.568 20 0 GDADHL CCc1nnc(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)s1 ZINC000289723412 532331192 /nfs/dbraw/zinc/33/11/92/532331192.db2.gz ZFLVEGLFVRPSNS-UHFFFAOYSA-N -2 3 394.475 1.090 20 0 GDADHL NC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000737755821 598842079 /nfs/dbraw/zinc/84/20/79/598842079.db2.gz RIPXDSSFXAKASJ-UHFFFAOYSA-N -2 3 380.336 1.045 20 0 GDADHL NC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000737755821 598842080 /nfs/dbraw/zinc/84/20/80/598842080.db2.gz RIPXDSSFXAKASJ-UHFFFAOYSA-N -2 3 380.336 1.045 20 0 GDADHL CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736379406 598855574 /nfs/dbraw/zinc/85/55/74/598855574.db2.gz UDWFRHJOPORQOO-HNNXBMFYSA-N -2 3 393.469 1.551 20 0 GDADHL CC[C@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736379406 598855575 /nfs/dbraw/zinc/85/55/75/598855575.db2.gz UDWFRHJOPORQOO-HNNXBMFYSA-N -2 3 393.469 1.551 20 0 GDADHL O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738317881 598949273 /nfs/dbraw/zinc/94/92/73/598949273.db2.gz OTONBVHKUBLUJL-SNVBAGLBSA-N -2 3 389.384 1.779 20 0 GDADHL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738317880 598949417 /nfs/dbraw/zinc/94/94/17/598949417.db2.gz OTONBVHKUBLUJL-JTQLQIEISA-N -2 3 389.384 1.779 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1F ZINC000737298415 598976090 /nfs/dbraw/zinc/97/60/90/598976090.db2.gz JWXGGAUCNXCOQD-HJWRWDBZSA-N -2 3 387.396 1.833 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1F ZINC000737298415 598976092 /nfs/dbraw/zinc/97/60/92/598976092.db2.gz JWXGGAUCNXCOQD-HJWRWDBZSA-N -2 3 387.396 1.833 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc2c(s1)CCC2 ZINC000737297892 598976394 /nfs/dbraw/zinc/97/63/94/598976394.db2.gz DPGJOXZJVQSTCK-UHFFFAOYSA-N -2 3 389.462 1.844 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc2c(s1)CCC2 ZINC000737297892 598976395 /nfs/dbraw/zinc/97/63/95/598976395.db2.gz DPGJOXZJVQSTCK-UHFFFAOYSA-N -2 3 389.462 1.844 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cncnc1C(C)C ZINC000737299560 598974980 /nfs/dbraw/zinc/97/49/80/598974980.db2.gz RUMCPFMGFWSAOU-UHFFFAOYSA-N -2 3 387.425 1.207 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cncnc1C(C)C ZINC000737299560 598974981 /nfs/dbraw/zinc/97/49/81/598974981.db2.gz RUMCPFMGFWSAOU-UHFFFAOYSA-N -2 3 387.425 1.207 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc(F)cc(F)c1 ZINC000737297999 598976558 /nfs/dbraw/zinc/97/65/58/598976558.db2.gz HZAWKJGEDJDPHA-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc(F)cc(F)c1 ZINC000737297999 598976559 /nfs/dbraw/zinc/97/65/59/598976559.db2.gz HZAWKJGEDJDPHA-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCOc2ccccc21 ZINC000737299564 598976623 /nfs/dbraw/zinc/97/66/23/598976623.db2.gz SATRQWUIJUFEFA-AWEZNQCLSA-N -2 3 399.432 1.546 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCOc2ccccc21 ZINC000737299564 598976625 /nfs/dbraw/zinc/97/66/25/598976625.db2.gz SATRQWUIJUFEFA-AWEZNQCLSA-N -2 3 399.432 1.546 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCc1cscn1 ZINC000737300077 598976797 /nfs/dbraw/zinc/97/67/97/598976797.db2.gz WEQQARKTQGJTLQ-UHFFFAOYSA-N -2 3 378.439 1.069 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCc1cscn1 ZINC000737300077 598976798 /nfs/dbraw/zinc/97/67/98/598976798.db2.gz WEQQARKTQGJTLQ-UHFFFAOYSA-N -2 3 378.439 1.069 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cs1 ZINC000821667939 599302291 /nfs/dbraw/zinc/30/22/91/599302291.db2.gz HPGJOLYFNJNDRE-UHFFFAOYSA-N -2 3 383.386 1.655 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cs1 ZINC000821667939 599302293 /nfs/dbraw/zinc/30/22/93/599302293.db2.gz HPGJOLYFNJNDRE-UHFFFAOYSA-N -2 3 383.386 1.655 20 0 GDADHL CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)cc21 ZINC000819796726 599232435 /nfs/dbraw/zinc/23/24/35/599232435.db2.gz NXAJUBUWVAGUKR-UHFFFAOYSA-N -2 3 399.436 1.362 20 0 GDADHL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000821668246 599232715 /nfs/dbraw/zinc/23/27/15/599232715.db2.gz WZQDFAFZWDMKTR-UHFFFAOYSA-N -2 3 394.800 1.503 20 0 GDADHL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000821668246 599232717 /nfs/dbraw/zinc/23/27/17/599232717.db2.gz WZQDFAFZWDMKTR-UHFFFAOYSA-N -2 3 394.800 1.503 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccccc2F)c1 ZINC000365574104 599234846 /nfs/dbraw/zinc/23/48/46/599234846.db2.gz FJQVFFZLWAXVTC-UHFFFAOYSA-N -2 3 385.384 1.992 20 0 GDADHL O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000769531168 597103915 /nfs/dbraw/zinc/10/39/15/597103915.db2.gz UCFRHQQSRZFFIG-NSHDSACASA-N -2 3 384.429 1.593 20 0 GDADHL CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000428017629 597189348 /nfs/dbraw/zinc/18/93/48/597189348.db2.gz ODEOXGSGFHYZLV-CQSZACIVSA-N -2 3 383.401 1.794 20 0 GDADHL O=C([O-])c1ccc(CNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000263349599 597298595 /nfs/dbraw/zinc/29/85/95/597298595.db2.gz HJRQQGMDGSLGSD-UHFFFAOYSA-N -2 3 383.404 1.758 20 0 GDADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000737963853 598314679 /nfs/dbraw/zinc/31/46/79/598314679.db2.gz UJGGHKFCYQVBEA-UHFFFAOYSA-N -2 3 394.416 1.463 20 0 GDADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000737963853 598314681 /nfs/dbraw/zinc/31/46/81/598314681.db2.gz UJGGHKFCYQVBEA-UHFFFAOYSA-N -2 3 394.416 1.463 20 0 GDADHL Cc1cc2c[nH]nc2c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737236607 598363716 /nfs/dbraw/zinc/36/37/16/598363716.db2.gz OVUYXWRZFKELMY-UHFFFAOYSA-N -2 3 383.393 1.170 20 0 GDADHL O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000737925073 598414589 /nfs/dbraw/zinc/41/45/89/598414589.db2.gz OGMVRALBLYKUFZ-UHFFFAOYSA-N -2 3 379.336 1.228 20 0 GDADHL O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000737925073 598414591 /nfs/dbraw/zinc/41/45/91/598414591.db2.gz OGMVRALBLYKUFZ-UHFFFAOYSA-N -2 3 379.336 1.228 20 0 GDADHL Cc1nc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2-c2nnn[n-]2)c[nH]1 ZINC000737497392 598450560 /nfs/dbraw/zinc/45/05/60/598450560.db2.gz BKIDDXBFAGTIBE-UHFFFAOYSA-N -2 3 398.408 1.886 20 0 GDADHL COc1ccccc1C(C)=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737142802 598481626 /nfs/dbraw/zinc/48/16/26/598481626.db2.gz PVTVSOVKUFRTGC-VAWYXSNFSA-N -2 3 399.432 1.784 20 0 GDADHL COc1ccccc1C(C)=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737142802 598481628 /nfs/dbraw/zinc/48/16/28/598481628.db2.gz PVTVSOVKUFRTGC-VAWYXSNFSA-N -2 3 399.432 1.784 20 0 GDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000736187795 598503494 /nfs/dbraw/zinc/50/34/94/598503494.db2.gz JENQANOSTHXMLY-JTQLQIEISA-N -2 3 393.363 1.616 20 0 GDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000736187795 598503495 /nfs/dbraw/zinc/50/34/95/598503495.db2.gz JENQANOSTHXMLY-JTQLQIEISA-N -2 3 393.363 1.616 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000735551697 598564409 /nfs/dbraw/zinc/56/44/09/598564409.db2.gz ROEVKAHRWLPGQR-NSHDSACASA-N -2 3 389.412 1.756 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735551697 598564411 /nfs/dbraw/zinc/56/44/11/598564411.db2.gz ROEVKAHRWLPGQR-NSHDSACASA-N -2 3 389.412 1.756 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000736948605 598593132 /nfs/dbraw/zinc/59/31/32/598593132.db2.gz JVQJQVQTOFTDRR-UHFFFAOYSA-N -2 3 383.386 1.655 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000736948605 598593134 /nfs/dbraw/zinc/59/31/34/598593134.db2.gz JVQJQVQTOFTDRR-UHFFFAOYSA-N -2 3 383.386 1.655 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1N1CCCC1 ZINC000737281293 598607355 /nfs/dbraw/zinc/60/73/55/598607355.db2.gz SVBXEOHVSKFVAA-UHFFFAOYSA-N -2 3 385.453 1.971 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1N1CCCC1 ZINC000737281293 598607357 /nfs/dbraw/zinc/60/73/57/598607357.db2.gz SVBXEOHVSKFVAA-UHFFFAOYSA-N -2 3 385.453 1.971 20 0 GDADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737797810 598762289 /nfs/dbraw/zinc/76/22/89/598762289.db2.gz SFLDQNWFVIMXBB-RJRFIUFISA-N -2 3 397.844 1.308 20 0 GDADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737797810 598762290 /nfs/dbraw/zinc/76/22/90/598762290.db2.gz SFLDQNWFVIMXBB-RJRFIUFISA-N -2 3 397.844 1.308 20 0 GDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736423181 598784934 /nfs/dbraw/zinc/78/49/34/598784934.db2.gz LROSAJSJVMYZDA-NWDGAFQWSA-N -2 3 381.458 1.516 20 0 GDADHL Cc1ccccc1CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737426048 598785359 /nfs/dbraw/zinc/78/53/59/598785359.db2.gz IESOZWFEEYOIKW-UHFFFAOYSA-N -2 3 385.449 1.754 20 0 GDADHL Cc1ccccc1CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737426048 598785360 /nfs/dbraw/zinc/78/53/60/598785360.db2.gz IESOZWFEEYOIKW-UHFFFAOYSA-N -2 3 385.449 1.754 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000823391720 599303130 /nfs/dbraw/zinc/30/31/30/599303130.db2.gz COCXVDIPLVGCBR-UHFFFAOYSA-N -3 3 381.320 1.644 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000823391720 599303132 /nfs/dbraw/zinc/30/31/32/599303132.db2.gz COCXVDIPLVGCBR-UHFFFAOYSA-N -3 3 381.320 1.644 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)Oc2c(C)cc(-c3nnn[n-]3)cc2C)c[n-]1 ZINC000821667802 599363335 /nfs/dbraw/zinc/36/33/35/599363335.db2.gz ATVPMGVDXOCSQJ-UHFFFAOYSA-N -2 3 377.382 1.366 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)Oc2c(C)cc(-c3nn[n-]n3)cc2C)c[n-]1 ZINC000821667802 599363337 /nfs/dbraw/zinc/36/33/37/599363337.db2.gz ATVPMGVDXOCSQJ-UHFFFAOYSA-N -2 3 377.382 1.366 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000819867986 599620540 /nfs/dbraw/zinc/62/05/40/599620540.db2.gz WQYFGGZJQXRJTB-JTQLQIEISA-N -2 3 375.385 1.614 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000819867986 599620541 /nfs/dbraw/zinc/62/05/41/599620541.db2.gz WQYFGGZJQXRJTB-JTQLQIEISA-N -2 3 375.385 1.614 20 0 GDADHL 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CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000819833570 606777912 /nfs/dbraw/zinc/77/79/12/606777912.db2.gz HKZHSKZSTPTFJD-UHFFFAOYSA-N -2 3 378.801 1.919 20 0 GDADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000819833570 606777914 /nfs/dbraw/zinc/77/79/14/606777914.db2.gz HKZHSKZSTPTFJD-UHFFFAOYSA-N -2 3 378.801 1.919 20 0 GDADHL Cc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1C(N)=O ZINC000822329134 606866935 /nfs/dbraw/zinc/86/69/35/606866935.db2.gz ZCRGJSMFOBSUSD-UHFFFAOYSA-N -2 3 394.363 1.353 20 0 GDADHL Cc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1C(N)=O ZINC000822329134 606866937 /nfs/dbraw/zinc/86/69/37/606866937.db2.gz ZCRGJSMFOBSUSD-UHFFFAOYSA-N -2 3 394.363 1.353 20 0 GDADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000821765452 606870556 /nfs/dbraw/zinc/87/05/56/606870556.db2.gz DHXVYPSTXJEBFK-UHFFFAOYSA-N -3 3 389.393 1.683 20 0 GDADHL CCC[C@@](C)([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)OC ZINC000821007866 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393.469 1.659 20 0 GDADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000821127274 607002662 /nfs/dbraw/zinc/00/26/62/607002662.db2.gz FNXVPRNOQPQSSG-UHFFFAOYSA-N -2 3 396.864 1.876 20 0 GDADHL O=C([O-])[C@H](CNC(=O)COc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000823037139 607109627 /nfs/dbraw/zinc/10/96/27/607109627.db2.gz QTSCMFNNJSIVCC-HNNXBMFYSA-N -2 3 381.392 1.305 20 0 GDADHL O=S(=O)([N-]c1ccccc1O[C@@H]1CCOC1)c1ccccc1-c1nnn[n-]1 ZINC000823589378 607113695 /nfs/dbraw/zinc/11/36/95/607113695.db2.gz XFECDHGIGQPONC-GFCCVEGCSA-N -2 3 387.421 1.835 20 0 GDADHL O=S(=O)([N-]c1ccccc1O[C@@H]1CCOC1)c1ccccc1-c1nn[n-]n1 ZINC000823589378 607113696 /nfs/dbraw/zinc/11/36/96/607113696.db2.gz XFECDHGIGQPONC-GFCCVEGCSA-N -2 3 387.421 1.835 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)NCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000823392680 607172602 /nfs/dbraw/zinc/17/26/02/607172602.db2.gz RMRSRNQYTWEFRN-UHFFFAOYSA-N -2 3 393.812 1.697 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)NCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 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ZINC000820913322 607104307 /nfs/dbraw/zinc/10/43/07/607104307.db2.gz FNZKKOPKGZSUFW-IBGZPJMESA-N -2 3 381.392 1.752 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c(Cl)c1 ZINC000823393438 607172723 /nfs/dbraw/zinc/17/27/23/607172723.db2.gz XTMZRQYSPIIUMT-UHFFFAOYSA-N -3 3 395.784 1.725 20 0 GDADHL O=S(=O)([N-][C@@H]1c2ccccc2C[C@@H]1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488921 607971473 /nfs/dbraw/zinc/97/14/73/607971473.db2.gz CLXVVAPGZBUWGU-UONOGXRCSA-N -2 3 393.375 1.082 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000826255665 608010121 /nfs/dbraw/zinc/01/01/21/608010121.db2.gz GNNCMRHVCAORLB-AWEZNQCLSA-N -2 3 387.421 1.669 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000826255665 608010122 /nfs/dbraw/zinc/01/01/22/608010122.db2.gz GNNCMRHVCAORLB-AWEZNQCLSA-N -2 3 387.421 1.669 20 0 GDADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826461233 608011783 /nfs/dbraw/zinc/01/17/83/608011783.db2.gz MDRRDTJWPJOFIA-VIFPVBQESA-N -2 3 391.331 1.123 20 0 GDADHL Cc1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1-c1nnn[n-]1 ZINC000826303994 608011785 /nfs/dbraw/zinc/01/17/85/608011785.db2.gz QGBQERHOVKNIGI-ZDUSSCGKSA-N -2 3 387.421 1.149 20 0 GDADHL Cc1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1-c1nn[n-]n1 ZINC000826303994 608011786 /nfs/dbraw/zinc/01/17/86/608011786.db2.gz QGBQERHOVKNIGI-ZDUSSCGKSA-N -2 3 387.421 1.149 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000826280261 608011821 /nfs/dbraw/zinc/01/18/21/608011821.db2.gz UTJWWIFFIRPVLX-CQSZACIVSA-N -2 3 387.421 1.149 20 0 GDADHL O=C(CSCC(F)(F)F)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826419884 608075567 /nfs/dbraw/zinc/07/55/67/608075567.db2.gz PIYBHKLQLVFYHG-UHFFFAOYSA-N -2 3 395.388 1.108 20 0 GDADHL O=C(CSCC(F)(F)F)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826419884 608075568 /nfs/dbraw/zinc/07/55/68/608075568.db2.gz PIYBHKLQLVFYHG-UHFFFAOYSA-N -2 3 395.388 1.108 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([C@H]2CCOC2)c1 ZINC000826450220 608075973 /nfs/dbraw/zinc/07/59/73/608075973.db2.gz BOVIXWCZZKTYCS-HNNXBMFYSA-N -2 3 399.432 1.489 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([C@H]2CCOC2)c1 ZINC000826450220 608075974 /nfs/dbraw/zinc/07/59/74/608075974.db2.gz BOVIXWCZZKTYCS-HNNXBMFYSA-N -2 3 399.432 1.489 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(F)c1 ZINC000826450682 608247743 /nfs/dbraw/zinc/24/77/43/608247743.db2.gz YLANASPUVMLZSJ-UHFFFAOYSA-N -2 3 381.776 1.778 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(F)c1 ZINC000826450682 608247745 /nfs/dbraw/zinc/24/77/45/608247745.db2.gz YLANASPUVMLZSJ-UHFFFAOYSA-N -2 3 381.776 1.778 20 0 GDADHL O=C(C=C1CCSCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826399856 608274537 /nfs/dbraw/zinc/27/45/37/608274537.db2.gz IDWOFKRXCHIGKS-UHFFFAOYSA-N -2 3 399.885 1.778 20 0 GDADHL O=C(C=C1CCSCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826399856 608274539 /nfs/dbraw/zinc/27/45/39/608274539.db2.gz IDWOFKRXCHIGKS-UHFFFAOYSA-N -2 3 399.885 1.778 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CN(C)c1ccccc1 ZINC000826279491 608275707 /nfs/dbraw/zinc/27/57/07/608275707.db2.gz RRCAREVLRRTJQP-UHFFFAOYSA-N -2 3 386.437 1.116 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CN(C)c1ccccc1 ZINC000826279491 608275709 /nfs/dbraw/zinc/27/57/09/608275709.db2.gz RRCAREVLRRTJQP-UHFFFAOYSA-N -2 3 386.437 1.116 20 0 GDADHL CC(C)(C)c1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c(-c2nnn[n-]2)s1 ZINC000824130672 608345961 /nfs/dbraw/zinc/34/59/61/608345961.db2.gz NQAIVOMVSMXRNA-UHFFFAOYSA-N -2 3 399.440 1.249 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nncn1-c1ccccc1 ZINC000826256730 608490700 /nfs/dbraw/zinc/49/07/00/608490700.db2.gz XWWPJDAAHGLRMX-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nncn1-c1ccccc1 ZINC000826256730 608490701 /nfs/dbraw/zinc/49/07/01/608490701.db2.gz XWWPJDAAHGLRMX-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC000824875896 609138936 /nfs/dbraw/zinc/13/89/36/609138936.db2.gz PIFJKDMHQKKMBM-IMRBUKKESA-N -2 3 377.470 1.885 20 0 GDADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC000824875896 609138937 /nfs/dbraw/zinc/13/89/37/609138937.db2.gz PIFJKDMHQKKMBM-IMRBUKKESA-N -2 3 377.470 1.885 20 0 GDADHL CCC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825255718 609142158 /nfs/dbraw/zinc/14/21/58/609142158.db2.gz YRGAPMBHUICEFZ-HUUCEWRRSA-N -2 3 393.469 1.408 20 0 GDADHL CCC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825255718 609142160 /nfs/dbraw/zinc/14/21/60/609142160.db2.gz YRGAPMBHUICEFZ-HUUCEWRRSA-N -2 3 393.469 1.408 20 0 GDADHL CC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000825184438 609149103 /nfs/dbraw/zinc/14/91/03/609149103.db2.gz URXKMRMPELDJDN-CHWSQXEVSA-N -2 3 379.442 1.185 20 0 GDADHL CC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000825184438 609149105 /nfs/dbraw/zinc/14/91/05/609149105.db2.gz URXKMRMPELDJDN-CHWSQXEVSA-N -2 3 379.442 1.185 20 0 GDADHL CCC[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1)C(=O)[O-] ZINC000825242264 609258995 /nfs/dbraw/zinc/25/89/95/609258995.db2.gz MJZOCUBDKXASMD-NSHDSACASA-N -2 3 378.458 1.649 20 0 GDADHL CCC[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1)C(=O)[O-] ZINC000825242264 609258996 /nfs/dbraw/zinc/25/89/96/609258996.db2.gz MJZOCUBDKXASMD-NSHDSACASA-N -2 3 378.458 1.649 20 0 GDADHL O=C([N-]n1ccccc1=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826461142 609286149 /nfs/dbraw/zinc/28/61/49/609286149.db2.gz HVVMQDAAIRZSMM-UHFFFAOYSA-N -2 3 378.348 1.584 20 0 GDADHL O=C([N-]n1ccccc1=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826461142 609286151 /nfs/dbraw/zinc/28/61/51/609286151.db2.gz HVVMQDAAIRZSMM-UHFFFAOYSA-N -2 3 378.348 1.584 20 0 GDADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826155368 609386300 /nfs/dbraw/zinc/38/63/00/609386300.db2.gz NSBQHIVFJJYSEQ-SECBINFHSA-N -2 3 387.849 1.388 20 0 GDADHL COCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826155368 609386302 /nfs/dbraw/zinc/38/63/02/609386302.db2.gz NSBQHIVFJJYSEQ-SECBINFHSA-N -2 3 387.849 1.388 20 0 GDADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)cn1 ZINC000825642766 609405516 /nfs/dbraw/zinc/40/55/16/609405516.db2.gz BCVJEZPWTAZALD-UHFFFAOYSA-N -2 3 388.409 1.088 20 0 GDADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)cn1 ZINC000825642766 609405518 /nfs/dbraw/zinc/40/55/18/609405518.db2.gz BCVJEZPWTAZALD-UHFFFAOYSA-N -2 3 388.409 1.088 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c(OC)n1 ZINC000826210375 609528514 /nfs/dbraw/zinc/52/85/14/609528514.db2.gz OQTKYCIXCQLMQM-UHFFFAOYSA-N -2 3 396.816 1.733 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c(OC)n1 ZINC000826210375 609528515 /nfs/dbraw/zinc/52/85/15/609528515.db2.gz OQTKYCIXCQLMQM-UHFFFAOYSA-N -2 3 396.816 1.733 20 0 GDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)c1 ZINC000540496790 650360842 /nfs/dbraw/zinc/36/08/42/650360842.db2.gz NWEBXMUPDWLRLH-UHFFFAOYSA-N -3 3 390.414 1.712 20 0 GDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1CCOC1 ZINC000547873414 650517770 /nfs/dbraw/zinc/51/77/70/650517770.db2.gz YLIKUYGCUGHDJE-RDDDGLTNSA-N -2 3 398.662 1.871 20 0 GDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000548264013 650540771 /nfs/dbraw/zinc/54/07/71/650540771.db2.gz GZWQEJHASQQKBY-LLVKDONJSA-N -2 3 392.361 1.312 20 0 GDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCOCC2)c1 ZINC000548266239 650541053 /nfs/dbraw/zinc/54/10/53/650541053.db2.gz QCCQILSMTFXDCW-LLVKDONJSA-N -2 3 377.440 1.083 20 0 GDADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CN2CCCc3ccccc32)C(=O)[O-])s1 ZINC000548534877 650549683 /nfs/dbraw/zinc/54/96/83/650549683.db2.gz PERDHBFXJSQEOT-ZDUSSCGKSA-N -2 3 381.479 1.636 20 0 GDADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000548550632 650552049 /nfs/dbraw/zinc/55/20/49/650552049.db2.gz GKGDVYHNIGNFMX-MRVPVSSYSA-N -3 3 375.786 1.848 20 0 GDADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H](CC)C(=O)[O-])cc1F ZINC000548564239 650553547 /nfs/dbraw/zinc/55/35/47/650553547.db2.gz NWALFHSPSCCTKT-CYBMUJFWSA-N -2 3 396.462 1.461 20 0 GDADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CCOCC1 ZINC000548770038 650563378 /nfs/dbraw/zinc/56/33/78/650563378.db2.gz OCAKCCNVYHTSFK-JTQLQIEISA-N -2 3 382.360 1.649 20 0 GDADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(F)ccc2Br)CCOCC1 ZINC000548837707 650565813 /nfs/dbraw/zinc/56/58/13/650565813.db2.gz XBODFAIVCKVXHO-UHFFFAOYSA-N -2 3 382.207 1.500 20 0 GDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F ZINC000551996007 650616159 /nfs/dbraw/zinc/61/61/59/650616159.db2.gz CJPQJVOPIMDOBA-ZETCQYMHSA-N -2 3 387.307 1.544 20 0 GDADHL Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000554973121 650684090 /nfs/dbraw/zinc/68/40/90/650684090.db2.gz CPOXBEXDYNFFBJ-ZETCQYMHSA-N -2 3 394.475 1.397 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-])c(F)cc1Br ZINC000563872341 650741528 /nfs/dbraw/zinc/74/15/28/650741528.db2.gz BQDUDVDSKAJBHV-CYBMUJFWSA-N -2 3 398.250 1.648 20 0 GDADHL Cc1c([C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C(=O)[O-])cnn1C ZINC000564781049 650767752 /nfs/dbraw/zinc/76/77/52/650767752.db2.gz LDGIDUKQNOVAEY-LLVKDONJSA-N -2 3 378.332 1.247 20 0 GDADHL COc1ccc(Br)cc1S(=O)(=O)[N-][N-]C(=O)c1ccccn1 ZINC000007386137 644209213 /nfs/dbraw/zinc/20/92/13/644209213.db2.gz WOEBUGKSYKRUNT-UHFFFAOYSA-N -2 3 386.227 1.476 20 0 GDADHL COc1cc(Br)cc(S(=O)(=O)[N-][N-]C(=O)c2ccc(C)o2)c1 ZINC000185597411 644987583 /nfs/dbraw/zinc/98/75/83/644987583.db2.gz ZSCNGUYLQQMOFM-UHFFFAOYSA-N -2 3 389.227 1.982 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1F ZINC000570046288 651024081 /nfs/dbraw/zinc/02/40/81/651024081.db2.gz WERVLBIQGZJZHJ-CMPLNLGQSA-N -2 3 394.446 1.119 20 0 GDADHL Cc1ncc(S(=O)(=O)[N-]C2CCN(c3cc(C(=O)[O-])ccn3)CC2)s1 ZINC000372321567 645803293 /nfs/dbraw/zinc/80/32/93/645803293.db2.gz RXEXMPPYKMTCGX-UHFFFAOYSA-N -2 3 382.467 1.492 20 0 GDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2cccc(Br)c2F)[n-]1 ZINC000460531013 647469523 /nfs/dbraw/zinc/46/95/23/647469523.db2.gz JMDMTPGCYRJOMO-UHFFFAOYSA-N -2 3 393.194 1.223 20 0 GDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)[n-]1 ZINC000460529243 647469624 /nfs/dbraw/zinc/46/96/24/647469624.db2.gz DRGCMXBSOFIBEU-UHFFFAOYSA-N -2 3 383.188 1.767 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c(C)n1 ZINC000469986723 647718650 /nfs/dbraw/zinc/71/86/50/647718650.db2.gz FALFAUNZFKSPGS-UHFFFAOYSA-N -2 3 389.430 1.710 20 0 GDADHL C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C[C@H]1C(=O)[O-] ZINC000518187944 648589626 /nfs/dbraw/zinc/58/96/26/648589626.db2.gz QORSWZPOSTUJHC-GZMMTYOYSA-N -2 3 385.833 1.251 20 0 GDADHL C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C[C@H]1C(=O)[O-] 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COc1ccc(CNC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1-c1nnn[n-]1 ZINC000826196628 607527644 /nfs/dbraw/zinc/52/76/44/607527644.db2.gz ISWACGDOMVENTH-FQEVSTJZSA-N -2 3 395.419 1.924 20 0 GDADHL COc1ccc(CNC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1-c1nn[n-]n1 ZINC000826196628 607527646 /nfs/dbraw/zinc/52/76/46/607527646.db2.gz ISWACGDOMVENTH-FQEVSTJZSA-N -2 3 395.419 1.924 20 0 GDADHL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826067218 607535177 /nfs/dbraw/zinc/53/51/77/607535177.db2.gz DXWZXUSXYOUMMJ-UHFFFAOYSA-N -2 3 386.437 1.644 20 0 GDADHL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826067218 607535178 /nfs/dbraw/zinc/53/51/78/607535178.db2.gz DXWZXUSXYOUMMJ-UHFFFAOYSA-N -2 3 386.437 1.644 20 0 GDADHL COC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCCC1 ZINC000761244356 602143212 /nfs/dbraw/zinc/14/32/12/602143212.db2.gz LYWUMZWUYAKLTG-UHFFFAOYSA-N -2 3 396.215 1.504 20 0 GDADHL NC(=O)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000833080180 602163136 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O=S(=O)([N-]C[C@H](O)c1cccc(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489318 607629502 /nfs/dbraw/zinc/62/95/02/607629502.db2.gz MJJZLQUQXFKAKK-ZDUSSCGKSA-N -2 3 399.354 1.296 20 0 GDADHL CCC(CC)(CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)NC(=O)[O-] ZINC000826142327 603547744 /nfs/dbraw/zinc/54/77/44/603547744.db2.gz ZALOJSDIYPGHKE-UHFFFAOYSA-N -2 3 392.456 1.686 20 0 GDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000830698891 603691325 /nfs/dbraw/zinc/69/13/25/603691325.db2.gz UBWJVYMZUGGLNC-CQSZACIVSA-N -2 3 385.424 1.284 20 0 GDADHL O=C([O-])N1CCc2c1cccc2NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000831689362 603995590 /nfs/dbraw/zinc/99/55/90/603995590.db2.gz POBMBPFVMRXXGK-UHFFFAOYSA-N -2 3 384.392 1.984 20 0 GDADHL CC(C)(C(=O)[O-])[C@H]1CCCN([C@@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000833417497 604857613 /nfs/dbraw/zinc/85/76/13/604857613.db2.gz RWBRMSMBEYOGFR-DZGCQCFKSA-N -2 3 388.420 1.840 20 0 GDADHL CC(C)Oc1cccc([C@@H](O)C[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000833506588 605036091 /nfs/dbraw/zinc/03/60/91/605036091.db2.gz FTTZGMQICRPKID-LBPRGKRZSA-N -2 3 386.451 1.640 20 0 GDADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])C(=O)N1c1ccccc1 ZINC000833597057 605040739 /nfs/dbraw/zinc/04/07/39/605040739.db2.gz IYBYPVUINCVFJU-CXAGYDPISA-N -2 3 388.445 1.998 20 0 GDADHL CC(C)(CCO)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833457387 605041941 /nfs/dbraw/zinc/04/19/41/605041941.db2.gz YDHYVVWCEQIRKB-UHFFFAOYSA-N -2 3 398.250 1.973 20 0 GDADHL Cc1[nH]nc(S(=O)(=O)[N-]Cc2coc(-c3ccc(C)cc3)n2)c1C(=O)[O-] ZINC000833746980 605042729 /nfs/dbraw/zinc/04/27/29/605042729.db2.gz WTGLJLRDEAJCFR-UHFFFAOYSA-N -2 3 376.394 1.858 20 0 GDADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC000833472223 605078376 /nfs/dbraw/zinc/07/83/76/605078376.db2.gz WPHDTZQUXYKCKC-NSHDSACASA-N -2 3 392.397 1.229 20 0 GDADHL CC(C)(CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000833457279 605094694 /nfs/dbraw/zinc/09/46/94/605094694.db2.gz FEBWIFFBOZFQKF-UHFFFAOYSA-N -2 3 383.879 1.090 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-n3cnnn3)c2)cc1C(=O)[O-] ZINC000833734648 605447986 /nfs/dbraw/zinc/44/79/86/605447986.db2.gz RCULIPRNXKCCRL-UHFFFAOYSA-N -2 3 389.393 1.478 20 0 GDADHL O=C([O-])N[C@H](CC(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1 ZINC000832113441 605560545 /nfs/dbraw/zinc/56/05/45/605560545.db2.gz CZAVSSKWAWLYBG-GFCCVEGCSA-N -2 3 376.390 1.947 20 0 GDADHL O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000834091382 605985337 /nfs/dbraw/zinc/98/53/37/605985337.db2.gz AWMPQLQJTZCVKL-YCPHGPKFSA-N -2 3 387.436 1.740 20 0 GDADHL Cc1ccc(-n2[n-]c(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)cc2=O)cc1 ZINC000822223693 606021987 /nfs/dbraw/zinc/02/19/87/606021987.db2.gz GVCACJYMPOTZEA-UHFFFAOYSA-N -2 3 393.382 1.723 20 0 GDADHL Cc1ccc(-n2[n-]c(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)cc2=O)cc1 ZINC000822223693 606021996 /nfs/dbraw/zinc/02/19/96/606021996.db2.gz GVCACJYMPOTZEA-UHFFFAOYSA-N -2 3 393.382 1.723 20 0 GDADHL COC(=O)c1csc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000821671186 606211840 /nfs/dbraw/zinc/21/18/40/606211840.db2.gz LJONFBWNUOZUAO-UHFFFAOYSA-N -2 3 381.395 1.221 20 0 GDADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000822645528 606407643 /nfs/dbraw/zinc/40/76/43/606407643.db2.gz BNXWVRJSOKHVAH-UHFFFAOYSA-N -2 3 384.421 1.252 20 0 GDADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000822645528 606407645 /nfs/dbraw/zinc/40/76/45/606407645.db2.gz BNXWVRJSOKHVAH-UHFFFAOYSA-N -2 3 384.421 1.252 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc2cnccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823284780 606465512 /nfs/dbraw/zinc/46/55/12/606465512.db2.gz JSDSAUUCOOWZTM-UHFFFAOYSA-N -2 3 386.418 1.595 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc2cnccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823284780 606465513 /nfs/dbraw/zinc/46/55/13/606465513.db2.gz JSDSAUUCOOWZTM-UHFFFAOYSA-N -2 3 386.418 1.595 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823284843 606470927 /nfs/dbraw/zinc/47/09/27/606470927.db2.gz KSQBXSRDBSIEQS-UHFFFAOYSA-N -2 3 383.842 1.841 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823284843 606470929 /nfs/dbraw/zinc/47/09/29/606470929.db2.gz KSQBXSRDBSIEQS-UHFFFAOYSA-N -2 3 383.842 1.841 20 0 GDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000821671107 606622097 /nfs/dbraw/zinc/62/20/97/606622097.db2.gz ICDDUDFJCODIKY-UHFFFAOYSA-N -2 3 394.800 1.503 20 0 GDADHL O=S(=O)([N-]c1nnc(C(F)(F)F)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000823589096 606636984 /nfs/dbraw/zinc/63/69/84/606636984.db2.gz NABUAIUUFHCRPC-UHFFFAOYSA-N -2 3 377.333 1.538 20 0 GDADHL O=S(=O)([N-]c1nnc(C(F)(F)F)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000823589096 606636985 /nfs/dbraw/zinc/63/69/85/606636985.db2.gz NABUAIUUFHCRPC-UHFFFAOYSA-N -2 3 377.333 1.538 20 0 GDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000823387265 606765220 /nfs/dbraw/zinc/76/52/20/606765220.db2.gz GXXDDYQZRBNKFI-UHFFFAOYSA-N -3 3 377.357 1.434 20 0 GDADHL Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CO2 ZINC000822274634 606875089 /nfs/dbraw/zinc/87/50/89/606875089.db2.gz DCOVVQFIYMCSKC-ZDUSSCGKSA-N -2 3 393.375 1.865 20 0 GDADHL Cc1cc(F)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000822202054 606886906 /nfs/dbraw/zinc/88/69/06/606886906.db2.gz JEQCWCULLOCOHH-UHFFFAOYSA-N -2 3 393.375 1.713 20 0 GDADHL Cc1cc(F)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cc1F ZINC000822202054 606886908 /nfs/dbraw/zinc/88/69/08/606886908.db2.gz JEQCWCULLOCOHH-UHFFFAOYSA-N -2 3 393.375 1.713 20 0 GDADHL CC(C)n1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000820215525 606891687 /nfs/dbraw/zinc/89/16/87/606891687.db2.gz WIQQPDMZWDHNPZ-UHFFFAOYSA-N -2 3 383.384 1.401 20 0 GDADHL Cc1cc(F)c(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1F ZINC000822202378 606892036 /nfs/dbraw/zinc/89/20/36/606892036.db2.gz XTICLQUJJFSDKW-UHFFFAOYSA-N -2 3 393.375 1.880 20 0 GDADHL Cc1cc(F)c(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1F ZINC000822202378 606892037 /nfs/dbraw/zinc/89/20/37/606892037.db2.gz XTICLQUJJFSDKW-UHFFFAOYSA-N -2 3 393.375 1.880 20 0 GDADHL Cc1nc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)sc1C ZINC000822444752 606894088 /nfs/dbraw/zinc/89/40/88/606894088.db2.gz YSQYMDOZSTZLEA-UHFFFAOYSA-N -2 3 386.409 1.697 20 0 GDADHL CCc1cnc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000821499978 606894313 /nfs/dbraw/zinc/89/43/13/606894313.db2.gz YYFHGCFMTIAWPW-UHFFFAOYSA-N -2 3 386.409 1.642 20 0 GDADHL C[C@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccncc1 ZINC000820274009 606894993 /nfs/dbraw/zinc/89/49/93/606894993.db2.gz BNXZIRISUDCSBK-SECBINFHSA-N -2 3 380.380 1.622 20 0 GDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000820542034 607102685 /nfs/dbraw/zinc/10/26/85/607102685.db2.gz LDMQMHZQEUOSPR-BLLLJJGKSA-N -2 3 393.403 1.672 20 0 GDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000820542034 607102686 /nfs/dbraw/zinc/10/26/86/607102686.db2.gz LDMQMHZQEUOSPR-BLLLJJGKSA-N -2 3 393.403 1.672 20 0 GDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000820541892 607103379 /nfs/dbraw/zinc/10/33/79/607103379.db2.gz JQEYSZXWPYZGPC-BUXKBTBVSA-N -2 3 381.392 1.750 20 0 GDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000820541892 607103380 /nfs/dbraw/zinc/10/33/80/607103380.db2.gz JQEYSZXWPYZGPC-BUXKBTBVSA-N -2 3 381.392 1.750 20 0 GDADHL Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)Nc1ccc(F)cc1[O-] ZINC000822458988 607160436 /nfs/dbraw/zinc/16/04/36/607160436.db2.gz LYXNKSGPBALCCO-UHFFFAOYSA-N -2 3 396.386 1.942 20 0 GDADHL CN(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000825875166 607776784 /nfs/dbraw/zinc/77/67/84/607776784.db2.gz BUZOMXNWAJYTAA-UHFFFAOYSA-N -2 3 390.400 1.191 20 0 GDADHL CN(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000825875166 607776785 /nfs/dbraw/zinc/77/67/85/607776785.db2.gz BUZOMXNWAJYTAA-UHFFFAOYSA-N -2 3 390.400 1.191 20 0 GDADHL COCCOCCS(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826160744 607846209 /nfs/dbraw/zinc/84/62/09/607846209.db2.gz DRLNPDBMMVGNIN-UHFFFAOYSA-N -2 3 385.446 1.059 20 0 GDADHL C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824883735 608125063 /nfs/dbraw/zinc/12/50/63/608125063.db2.gz IWNSMTYKFIFNBX-ZJUUUORDSA-N -2 3 387.412 1.628 20 0 GDADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825074951 608144525 /nfs/dbraw/zinc/14/45/25/608144525.db2.gz LOGIJHFQNGWUGT-GFCCVEGCSA-N -2 3 381.458 1.660 20 0 GDADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825074951 608144526 /nfs/dbraw/zinc/14/45/26/608144526.db2.gz LOGIJHFQNGWUGT-GFCCVEGCSA-N -2 3 381.458 1.660 20 0 GDADHL O=C(Cc1cccc2cccnc21)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826423510 608275261 /nfs/dbraw/zinc/27/52/61/608275261.db2.gz SJZCIWJBRICCLZ-UHFFFAOYSA-N -2 3 394.416 1.463 20 0 GDADHL O=C(Cc1cccc2cccnc21)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826423510 608275262 /nfs/dbraw/zinc/27/52/62/608275262.db2.gz SJZCIWJBRICCLZ-UHFFFAOYSA-N -2 3 394.416 1.463 20 0 GDADHL Cc1scc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1C ZINC000826350008 608332068 /nfs/dbraw/zinc/33/20/68/608332068.db2.gz DLYRUWLKCKOZPA-UHFFFAOYSA-N -2 3 377.451 1.805 20 0 GDADHL Cc1scc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1C ZINC000826350008 608332070 /nfs/dbraw/zinc/33/20/70/608332070.db2.gz DLYRUWLKCKOZPA-UHFFFAOYSA-N -2 3 377.451 1.805 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000826278427 608392667 /nfs/dbraw/zinc/39/26/67/608392667.db2.gz BLXROPYRSOZBTH-UHFFFAOYSA-N -2 3 389.441 1.016 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826304052 608394825 /nfs/dbraw/zinc/39/48/25/608394825.db2.gz UCFIDYHTUVPHAH-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826304052 608394827 /nfs/dbraw/zinc/39/48/27/608394827.db2.gz UCFIDYHTUVPHAH-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000824377636 608455204 /nfs/dbraw/zinc/45/52/04/608455204.db2.gz JLDIONBTSJHOJR-BQYQJAHWSA-N -2 3 387.425 1.162 20 0 GDADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000824377636 608455205 /nfs/dbraw/zinc/45/52/05/608455205.db2.gz JLDIONBTSJHOJR-BQYQJAHWSA-N -2 3 387.425 1.162 20 0 GDADHL CC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825181752 609146613 /nfs/dbraw/zinc/14/66/13/609146613.db2.gz GAJGBKOSIGLVQC-UWVGGRQHSA-N -2 3 399.860 1.530 20 0 GDADHL CC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825181752 609146614 /nfs/dbraw/zinc/14/66/14/609146614.db2.gz GAJGBKOSIGLVQC-UWVGGRQHSA-N -2 3 399.860 1.530 20 0 GDADHL CCCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825296753 609254600 /nfs/dbraw/zinc/25/46/00/609254600.db2.gz UYANHDFVVGMSMC-AWEZNQCLSA-N -2 3 378.458 1.082 20 0 GDADHL Cc1cc(C)cc(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826264087 609255164 /nfs/dbraw/zinc/25/51/64/609255164.db2.gz BNNLDTPPKIFGPJ-UHFFFAOYSA-N -2 3 385.449 1.921 20 0 GDADHL Cc1cc(C)cc(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826264087 609255165 /nfs/dbraw/zinc/25/51/65/609255165.db2.gz BNNLDTPPKIFGPJ-UHFFFAOYSA-N -2 3 385.449 1.921 20 0 GDADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000826175026 609259869 /nfs/dbraw/zinc/25/98/69/609259869.db2.gz QCGVHGTYYNJVGR-ZDUSSCGKSA-N -2 3 389.412 1.500 20 0 GDADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000826175026 609259871 /nfs/dbraw/zinc/25/98/71/609259871.db2.gz QCGVHGTYYNJVGR-ZDUSSCGKSA-N -2 3 389.412 1.500 20 0 GDADHL O=C([N-]n1ccccc1=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826461185 609286174 /nfs/dbraw/zinc/28/61/74/609286174.db2.gz JSJYYTNXUHYINF-UHFFFAOYSA-N -2 3 378.348 1.584 20 0 GDADHL O=C([N-]n1ccccc1=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826461185 609286176 /nfs/dbraw/zinc/28/61/76/609286176.db2.gz JSJYYTNXUHYINF-UHFFFAOYSA-N -2 3 378.348 1.584 20 0 GDADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000826334228 609467893 /nfs/dbraw/zinc/46/78/93/609467893.db2.gz MOKZYTOYOCXFLI-UHFFFAOYSA-N -2 3 391.457 1.842 20 0 GDADHL COCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC000826154288 609583223 /nfs/dbraw/zinc/58/32/23/609583223.db2.gz MAIXOMKFDZMRCX-GFCCVEGCSA-N -2 3 399.379 1.794 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)c(C)o1 ZINC000534492665 650222768 /nfs/dbraw/zinc/22/27/68/650222768.db2.gz BQZRCYJVOGTOQG-UHFFFAOYSA-N -2 3 379.423 1.084 20 0 GDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)[C@H]1CCOC1 ZINC000542841348 650414054 /nfs/dbraw/zinc/41/40/54/650414054.db2.gz WZWLLVNZOSSKQV-CPCISQLKSA-N -2 3 382.207 1.356 20 0 GDADHL C[S@](=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000545827637 650462338 /nfs/dbraw/zinc/46/23/38/650462338.db2.gz MCCHYDVQSLOUHV-DEOSSOPVSA-N -2 3 378.431 1.250 20 0 GDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CC2CCCC2)C(=O)[O-])s1 ZINC000547887677 650518426 /nfs/dbraw/zinc/51/84/26/650518426.db2.gz VECBZFQLGVBRTC-JTQLQIEISA-N -2 3 391.467 1.855 20 0 GDADHL O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000547897209 650519490 /nfs/dbraw/zinc/51/94/90/650519490.db2.gz VBJIKZQLHSLPFB-VIFPVBQESA-N -2 3 381.248 1.260 20 0 GDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccsc1 ZINC000548196089 650533710 /nfs/dbraw/zinc/53/37/10/650533710.db2.gz VLQQLYLGRNCKEU-QMMMGPOBSA-N -2 3 376.437 1.486 20 0 GDADHL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)cc1OC(F)F ZINC000563815280 650740537 /nfs/dbraw/zinc/74/05/37/650740537.db2.gz LBGGJAUOAWCXMJ-JMCQJSRRSA-N -2 3 381.353 1.914 20 0 GDADHL CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(I)cc1 ZINC000048654675 644392941 /nfs/dbraw/zinc/39/29/41/644392941.db2.gz CDGBXRYWVLLVHR-MRVPVSSYSA-N -2 3 382.223 1.647 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)c(C)o1 ZINC000262715617 645136410 /nfs/dbraw/zinc/13/64/10/645136410.db2.gz CPVCUPGKVUDDHE-ZETCQYMHSA-N -2 3 387.439 1.450 20 0 GDADHL C[C@H](Cn1cncn1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000273730191 645172881 /nfs/dbraw/zinc/17/28/81/645172881.db2.gz RQJIQYZLHHAOGC-SSDOTTSWSA-N -2 3 379.225 1.650 20 0 GDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(SC)c(Cl)c2)[n-]1 ZINC000460540426 647470065 /nfs/dbraw/zinc/47/00/65/647470065.db2.gz UKNSZLFAFDRZFV-UHFFFAOYSA-N -2 3 376.847 1.696 20 0 GDADHL Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O)OCO2 ZINC000479272479 647827049 /nfs/dbraw/zinc/82/70/49/647827049.db2.gz RCZMWJHTGFMYCB-UHFFFAOYSA-N -2 3 384.435 1.896 20 0 GDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2scnc2C)c1 ZINC000571346182 651074150 /nfs/dbraw/zinc/07/41/50/651074150.db2.gz JOIJDESNBZGMIF-SECBINFHSA-N -2 3 376.437 1.404 20 0 GDADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(N(C)C)c1 ZINC000572830193 651106807 /nfs/dbraw/zinc/10/68/07/651106807.db2.gz OECSTDDSQVDUHY-UHFFFAOYSA-N -2 3 387.458 1.601 20 0 GDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Oc1ccccc1 ZINC000574826294 651572837 /nfs/dbraw/zinc/57/28/37/651572837.db2.gz FBAIZDJXKKIZAG-ZDUSSCGKSA-N -2 3 375.324 1.914 20 0 GDADHL Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])c1 ZINC000575411934 651595902 /nfs/dbraw/zinc/59/59/02/651595902.db2.gz SBIGZIMDGLFQLN-LLVKDONJSA-N -2 3 378.237 1.930 20 0 GDADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000578070994 651770824 /nfs/dbraw/zinc/77/08/24/651770824.db2.gz XZVMWNDAVJQCPW-SNVBAGLBSA-N -2 3 379.456 1.711 20 0 GDADHL COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000596035272 652435607 /nfs/dbraw/zinc/43/56/07/652435607.db2.gz LEEXGQONYSSINC-SSDOTTSWSA-N -2 3 389.373 1.856 20 0 GDADHL C[C@H]1CCN(C(=O)C(=O)NCc2ccc([O-])c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000647587610 653629483 /nfs/dbraw/zinc/62/94/83/653629483.db2.gz PURKXKNLIWUWFV-ONGXEEELSA-N -2 3 399.241 1.340 20 0 GDADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1C(=O)[O-] ZINC000656182008 654010434 /nfs/dbraw/zinc/01/04/34/654010434.db2.gz YTDGUEAWGGDUGQ-SKDRFNHKSA-N -2 3 382.360 1.867 20 0 GDADHL C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000769317050 654455696 /nfs/dbraw/zinc/45/56/96/654455696.db2.gz YDBFEJXBOSZARU-GHMZBOCLSA-N -2 3 392.474 1.828 20 0 GDADHL CCCn1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cn1 ZINC000771144268 654530899 /nfs/dbraw/zinc/53/08/99/654530899.db2.gz PMVHTFCUGFOMEI-UHFFFAOYSA-N -2 3 376.435 1.605 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)c2cccs2)cc1F ZINC000772759005 654571044 /nfs/dbraw/zinc/57/10/44/654571044.db2.gz JLNHQPCQZGNHCB-UHFFFAOYSA-N -2 3 378.428 1.377 20 0 GDADHL C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2n[nH]c(=O)[n-]2)c1Cl ZINC000774967658 654649363 /nfs/dbraw/zinc/64/93/63/654649363.db2.gz PBWIOYLFUOOUIY-UHFFFAOYSA-N -2 3 381.197 1.082 20 0 GDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](Cc1ccco1)C(=O)[O-] ZINC000776542434 654694673 /nfs/dbraw/zinc/69/46/73/654694673.db2.gz SCDBAWFQDZAQHZ-SECBINFHSA-N -2 3 388.785 1.089 20 0 GDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCC1 ZINC000776583188 654697121 /nfs/dbraw/zinc/69/71/21/654697121.db2.gz CUGBYERJJKPJLD-UHFFFAOYSA-N -2 3 376.818 1.445 20 0 GDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000780284707 654781127 /nfs/dbraw/zinc/78/11/27/654781127.db2.gz AMJZDIDHVONKOZ-ZDUSSCGKSA-N -2 3 385.873 1.994 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)cc1 ZINC000747894223 654795651 /nfs/dbraw/zinc/79/56/51/654795651.db2.gz RRNWRFIXGOAIBO-UHFFFAOYSA-N -2 3 379.291 1.730 20 0 GDADHL Cn1cc(S(=O)(=O)[N-][C@H](CCC(=O)c2ccccc2)C(=O)[O-])nc1Cl ZINC000781862608 654819238 /nfs/dbraw/zinc/81/92/38/654819238.db2.gz PIBHOFLTNISNBI-LLVKDONJSA-N -2 3 385.829 1.468 20 0 GDADHL CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898740 654900241 /nfs/dbraw/zinc/90/02/41/654900241.db2.gz NKZASYLQBFIFHC-UHFFFAOYSA-N -2 3 380.463 1.828 20 0 GDADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c(=O)[n-]1 ZINC000787001253 654957177 /nfs/dbraw/zinc/95/71/77/654957177.db2.gz UWVCYLWTHOEMBT-UHFFFAOYSA-N -2 3 387.820 1.780 20 0 GDADHL CC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000787933218 654976552 /nfs/dbraw/zinc/97/65/52/654976552.db2.gz HNJNFEINUQXYHN-SECBINFHSA-N -2 3 384.635 1.813 20 0 GDADHL O=C(COCC(=O)Nc1nc(Cl)ccc1[O-])Nc1nc(Cl)ccc1[O-] ZINC000789931273 655036014 /nfs/dbraw/zinc/03/60/14/655036014.db2.gz FQLZNGJHKFQHCD-UHFFFAOYSA-N -2 3 387.179 1.788 20 0 GDADHL CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)C1 ZINC000761292068 655141461 /nfs/dbraw/zinc/14/14/61/655141461.db2.gz IIXMXWNHWIWWCE-SNVBAGLBSA-N -2 3 396.296 1.216 20 0 GDADHL NC(=O)CC1([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCC1 ZINC000761321617 655143563 /nfs/dbraw/zinc/14/35/63/655143563.db2.gz NTVQOQZJIGHAJJ-UHFFFAOYSA-N -2 3 397.272 1.285 20 0 GDADHL CC(C)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000765609337 655244362 /nfs/dbraw/zinc/24/43/62/655244362.db2.gz JEHSRYNSRUQCBF-JTQLQIEISA-N -2 3 380.463 1.684 20 0 GDADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)[N-]OCC(F)(F)F)CCCC1 ZINC000766770128 655275589 /nfs/dbraw/zinc/27/55/89/655275589.db2.gz VTVKSYYZPDWSHP-UHFFFAOYSA-N -2 3 385.364 1.493 20 0 GDADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c1 ZINC000844900549 655420886 /nfs/dbraw/zinc/42/08/86/655420886.db2.gz QQSGVXQIZVZSJA-ZDUSSCGKSA-N -2 3 384.237 1.511 20 0 GDADHL COc1cc(F)c(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1OC ZINC000821720858 655433547 /nfs/dbraw/zinc/43/35/47/655433547.db2.gz YXTNJPTZYCVNJZ-UHFFFAOYSA-N -2 3 386.390 1.280 20 0 GDADHL COc1csc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1 ZINC000821911360 655436937 /nfs/dbraw/zinc/43/69/37/655436937.db2.gz POVJNCAWZJSKCN-UHFFFAOYSA-N -2 3 379.423 1.197 20 0 GDADHL COc1csc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1 ZINC000821911360 655436938 /nfs/dbraw/zinc/43/69/38/655436938.db2.gz POVJNCAWZJSKCN-UHFFFAOYSA-N -2 3 379.423 1.197 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000826301408 655497324 /nfs/dbraw/zinc/49/73/24/655497324.db2.gz DLWIXWWZTWGPLU-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000826301408 655497325 /nfs/dbraw/zinc/49/73/25/655497325.db2.gz DLWIXWWZTWGPLU-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL O=C([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450265 655497890 /nfs/dbraw/zinc/49/78/90/655497890.db2.gz DNHNNXSEEBQQKX-UHFFFAOYSA-N -2 3 387.208 1.620 20 0 GDADHL O=C([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450265 655497891 /nfs/dbraw/zinc/49/78/91/655497891.db2.gz DNHNNXSEEBQQKX-UHFFFAOYSA-N -2 3 387.208 1.620 20 0 GDADHL C[C@@H](CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000827227174 655508027 /nfs/dbraw/zinc/50/80/27/655508027.db2.gz VLGOKUAAPMIEGR-CABZTGNLSA-N -2 3 391.877 1.407 20 0 GDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](COC(C)C)C(=O)[O-])cc1Cl ZINC000863417102 655870708 /nfs/dbraw/zinc/87/07/08/655870708.db2.gz RRFLHLJDJFCIDG-LBPRGKRZSA-N -2 3 396.824 1.594 20 0 GDADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(I)s1)C(=O)[O-] ZINC000899919448 659066631 /nfs/dbraw/zinc/06/66/31/659066631.db2.gz PTHLHICBCYQELA-LURJTMIESA-N -2 3 389.236 1.742 20 0 GDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2CC(=O)[O-])sc1Br ZINC000899950637 659074358 /nfs/dbraw/zinc/07/43/58/659074358.db2.gz PVFHRBOKQPADKD-RKDXNWHRSA-N -2 3 398.300 1.977 20 0 GDADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2CC(=O)[O-])sc1Br ZINC000899950636 659074498 /nfs/dbraw/zinc/07/44/98/659074498.db2.gz PVFHRBOKQPADKD-IUCAKERBSA-N -2 3 398.300 1.977 20 0 GDADHL O=C([O-])[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000906000210 659503425 /nfs/dbraw/zinc/50/34/25/659503425.db2.gz HSRCTJDNENQRNS-MWLCHTKSSA-N -2 3 396.234 1.889 20 0 GDADHL CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000906005099 659505990 /nfs/dbraw/zinc/50/59/90/659505990.db2.gz ZJTBJXLYVNUZJM-QMMMGPOBSA-N -2 3 386.289 1.915 20 0 GDADHL C[C@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000907744953 659821187 /nfs/dbraw/zinc/82/11/87/659821187.db2.gz VJNSCOPWXSENDU-YUMQZZPRSA-N -2 3 393.184 1.635 20 0 GDADHL COc1cccc(S([O-])=CC(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001571259269 945381106 /nfs/dbraw/zinc/38/11/06/945381106.db2.gz FATLKNICJCUWCF-MHZLTWQESA-N -2 3 385.449 1.608 20 0 GDADHL Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000822235279 946020389 /nfs/dbraw/zinc/02/03/89/946020389.db2.gz ZNIMQMFHEDDBCM-UHFFFAOYSA-N -2 3 395.828 1.859 20 0 GDADHL Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000822235279 946020401 /nfs/dbraw/zinc/02/04/01/946020401.db2.gz ZNIMQMFHEDDBCM-UHFFFAOYSA-N -2 3 395.828 1.859 20 0 GDADHL O=C(N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C12CCC2)c1ncccc1[O-] ZINC001571309700 946450952 /nfs/dbraw/zinc/45/09/52/946450952.db2.gz IBFUJNQNJFJMHR-ZIAGYGMSSA-N -2 3 392.423 1.515 20 0 GDADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000824729893 946916526 /nfs/dbraw/zinc/91/65/26/946916526.db2.gz LRLFDECRGCFIQP-HXPMCKFVSA-N -2 3 381.392 1.750 20 0 GDADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1=O ZINC000824866534 946959180 /nfs/dbraw/zinc/95/91/80/946959180.db2.gz MGWLVJSAWZFXDA-DTWKUNHWSA-N -2 3 397.844 1.330 20 0 GDADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1=O ZINC000824866534 946959185 /nfs/dbraw/zinc/95/91/85/946959185.db2.gz MGWLVJSAWZFXDA-DTWKUNHWSA-N -2 3 397.844 1.330 20 0 GDADHL CCCCC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)C(=O)[O-] ZINC000825266227 947135445 /nfs/dbraw/zinc/13/54/45/947135445.db2.gz DFTOALQGIPKZAS-GFCCVEGCSA-N -2 3 377.401 1.404 20 0 GDADHL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nnn[n-]2)cc1 ZINC000825339118 947159264 /nfs/dbraw/zinc/15/92/64/947159264.db2.gz NRBZSGHAFUEXGC-UHFFFAOYSA-N -2 3 391.413 1.266 20 0 GDADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826163213 947512001 /nfs/dbraw/zinc/51/20/01/947512001.db2.gz KQNBKNDUSLYVAU-UHFFFAOYSA-N -2 3 393.400 1.832 20 0 GDADHL Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cnn1C(C)C ZINC000826234947 947689011 /nfs/dbraw/zinc/68/90/11/947689011.db2.gz VZQDLABJCMWPNY-UHFFFAOYSA-N -2 3 389.441 1.212 20 0 GDADHL Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cnn1C(C)C ZINC000826234947 947689016 /nfs/dbraw/zinc/68/90/16/947689016.db2.gz VZQDLABJCMWPNY-UHFFFAOYSA-N -2 3 389.441 1.212 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000826272537 947792432 /nfs/dbraw/zinc/79/24/32/947792432.db2.gz OTGBQKDHLGRXEN-NSHDSACASA-N -2 3 391.409 1.349 20 0 GDADHL CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)c1nc(=O)o[n-]1 ZINC001573821904 949784326 /nfs/dbraw/zinc/78/43/26/949784326.db2.gz FBLNDFMEFLXWJT-YNEHKIRRSA-N -2 3 383.412 1.550 20 0 GDADHL CC(C)(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)c1nc(=O)o[n-]1 ZINC001573821904 949784339 /nfs/dbraw/zinc/78/43/39/949784339.db2.gz FBLNDFMEFLXWJT-YNEHKIRRSA-N -2 3 383.412 1.550 20 0 GDADHL CC(C)C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)c1ccccc1[O-] ZINC001574158803 950293050 /nfs/dbraw/zinc/29/30/50/950293050.db2.gz SVCURPYHMQLCBT-LBPRGKRZSA-N -2 3 382.428 1.041 20 0 GDADHL CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)c1ncccc1[O-] ZINC001574158835 950293763 /nfs/dbraw/zinc/29/37/63/950293763.db2.gz CQYMQCFIDSWLLB-LLVKDONJSA-N -2 3 383.416 1.014 20 0 GDADHL CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001574158835 950293781 /nfs/dbraw/zinc/29/37/81/950293781.db2.gz CQYMQCFIDSWLLB-LLVKDONJSA-N -2 3 383.416 1.014 20 0 GDADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)CCOCC1 ZINC001594880320 954422965 /nfs/dbraw/zinc/42/29/65/954422965.db2.gz SREKLQRUZJFZLN-UHFFFAOYSA-N -2 3 391.858 1.504 20 0 GDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)ccc1F ZINC000817872350 955375942 /nfs/dbraw/zinc/37/59/42/955375942.db2.gz WRYMMLLDOYGSPK-DGCLKSJQSA-N -2 3 386.445 1.838 20 0 GDADHL C[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC[C@H]1C(=O)[O-] ZINC000823340490 955527913 /nfs/dbraw/zinc/52/79/13/955527913.db2.gz BZHWAXQWMMQDSO-GXFFZTMASA-N -2 3 384.429 1.449 20 0 GDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001593880671 955705157 /nfs/dbraw/zinc/70/51/57/955705157.db2.gz LNGXPUYVVXHASM-CQSZACIVSA-N -2 3 385.344 1.856 20 0 GDADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000851699245 955809004 /nfs/dbraw/zinc/80/90/04/955809004.db2.gz APSWIVGCHGSFPJ-PWSUYJOCSA-N -2 3 384.314 1.299 20 0 GDADHL CNC(=O)c1cccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852737530 955849233 /nfs/dbraw/zinc/84/92/33/955849233.db2.gz TWMCRTFXKDRHQF-QWHCGFSZSA-N -2 3 387.358 1.142 20 0 GDADHL CC(C)c1ncc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])[nH]1 ZINC001327497750 957342544 /nfs/dbraw/zinc/34/25/44/957342544.db2.gz HCKDLRDOOHVNHC-WPRPVWTQSA-N -2 3 376.335 1.269 20 0 GDADHL COC(=O)c1sc2[n-]c(CN3CCC[C@@H](C)[C@H]3C(=O)[O-])nc(=O)c2c1C ZINC000563215494 968416462 /nfs/dbraw/zinc/41/64/62/968416462.db2.gz DERTVSWULCNJTM-PELKAZGASA-N -2 3 379.438 1.765 20 0 GDADHL Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N[C@@H](C)CC(=O)[O-])cs2)c1 ZINC001605296627 973108872 /nfs/dbraw/zinc/10/88/72/973108872.db2.gz OJPGJQFUDXKEPA-JTQLQIEISA-N -2 3 377.422 1.931 20 0 GDADHL Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)CCC(=O)[O-])cs2)c1 ZINC001605297277 973111406 /nfs/dbraw/zinc/11/14/06/973111406.db2.gz ZIWFICZHPOFTEY-UHFFFAOYSA-N -2 3 377.422 1.885 20 0 GDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@](C)(C(=O)[O-])c1ccccc1 ZINC001604390850 973118390 /nfs/dbraw/zinc/11/83/90/973118390.db2.gz AKMGQDJPFUDTDM-SFHVURJKSA-N -2 3 395.408 1.933 20 0 GDADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1 ZINC000436164182 974099567 /nfs/dbraw/zinc/09/95/67/974099567.db2.gz STDJAMJJYWUOGC-UHFFFAOYSA-N -2 3 379.390 1.728 20 0 GDADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)CCCC2)no1 ZINC000551248639 974476770 /nfs/dbraw/zinc/47/67/70/974476770.db2.gz LGZINOSVPIHSPA-UHFFFAOYSA-N -2 3 381.410 1.589 20 0 GDADHL C[C@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)c1ncc(C(=O)[O-])s1 ZINC000572603146 974750675 /nfs/dbraw/zinc/75/06/75/974750675.db2.gz WGMIRCCMVANABF-ZETCQYMHSA-N -2 3 399.425 1.905 20 0 GDADHL C[C@@](CCF)([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC001592506398 978319162 /nfs/dbraw/zinc/31/91/62/978319162.db2.gz BPTKYKPOGQLKQO-JTQLQIEISA-N -2 3 389.630 1.979 20 0 GDADHL CCC(CC)(CNC(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC001595067961 979332732 /nfs/dbraw/zinc/33/27/32/979332732.db2.gz UVXIVLACSHMRBS-UHFFFAOYSA-N -2 3 389.449 1.887 20 0 GDADHL CC[C@@H](C[N-]S(=O)(=O)c1sc(C(=O)[O-])c(C)c1C(=O)OC)CC(=O)[O-] ZINC001595171348 979736594 /nfs/dbraw/zinc/73/65/94/979736594.db2.gz FYAZDHGUAKRCER-MRVPVSSYSA-N -3 3 393.439 1.321 20 0 GDADHL C[C@@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001592998102 980206895 /nfs/dbraw/zinc/20/68/95/980206895.db2.gz HEATUNLRCDOLJX-TYGXQLQZSA-N -2 3 375.425 1.902 20 0 GDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)[C@@H](O)C(F)F ZINC001595310419 980468338 /nfs/dbraw/zinc/46/83/38/980468338.db2.gz IBRLDJIYJSORDQ-CLZZGJSISA-N -2 3 392.174 1.423 20 0 GDADHL CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)nc1C ZINC001596756014 985132192 /nfs/dbraw/zinc/13/21/92/985132192.db2.gz LORVTBRPFGRYAM-SECBINFHSA-N -2 3 399.450 1.761 20 0 GDADHL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])s1 ZINC001589107575 985340937 /nfs/dbraw/zinc/34/09/37/985340937.db2.gz ORVPWEZWORWJPX-POYBYMJQSA-N -2 3 388.389 1.629 20 0 GDADHL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])s1 ZINC001589107577 985341291 /nfs/dbraw/zinc/34/12/91/985341291.db2.gz ORVPWEZWORWJPX-XPUUQOCRSA-N -2 3 388.389 1.629 20 0 GDADHL C[Si](C)(C)c1ccc(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC001599938891 985429171 /nfs/dbraw/zinc/42/91/71/985429171.db2.gz AKNMOZKBZYJJCT-UHFFFAOYSA-N -2 3 384.555 1.908 20 0 GDADHL Cc1[nH]c(C(=O)CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(C)c1C(=O)[O-] ZINC001599944184 985496097 /nfs/dbraw/zinc/49/60/97/985496097.db2.gz CLVWEADAMPJBIE-UHFFFAOYSA-N -2 3 389.374 1.903 20 0 GDADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@@H]1Oc1ccccc1 ZINC001596843121 985532854 /nfs/dbraw/zinc/53/28/54/985532854.db2.gz PESRRIOLGTXDCI-BJJXKVORSA-N -2 3 381.406 1.881 20 0 GDADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)c1 ZINC001589199306 985628784 /nfs/dbraw/zinc/62/87/84/985628784.db2.gz CQPUHQOKTUCFCF-XGWLTEMNSA-N -2 3 376.409 1.835 20 0 GDADHL CCOCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)no1 ZINC001596950553 986113343 /nfs/dbraw/zinc/11/33/43/986113343.db2.gz IOLMRNOCURUBGC-MRVPVSSYSA-N -2 3 389.817 1.997 20 0 GDADHL CCc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])o3)C2)ncn1 ZINC001597477667 987952433 /nfs/dbraw/zinc/95/24/33/987952433.db2.gz IZCMLDWRYHHKBQ-ZDUSSCGKSA-N -2 3 394.453 1.586 20 0 GDADHL CCc1cc2c(CN3C[C@@H](C(=O)[O-])CC[C@H]3C(=O)OC)cc(=O)oc2cc1[O-] ZINC001597488827 988001887 /nfs/dbraw/zinc/00/18/87/988001887.db2.gz ORAFEGIRZGPVCB-WFASDCNBSA-N -2 3 389.404 1.899 20 0 GDADHL CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2ccc(O)cc2[O-])CC12CC(C(=O)[O-])C2 ZINC001589862223 988451861 /nfs/dbraw/zinc/45/18/61/988451861.db2.gz VKKAJCKISFZNCS-LCVXBWFXSA-N -2 3 391.420 1.993 20 0 GDADHL C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C[C@H]1CC(=O)[O-] ZINC001599852717 989039358 /nfs/dbraw/zinc/03/93/58/989039358.db2.gz UWCJCZRSWZIXFV-GHMZBOCLSA-N -2 3 375.356 1.057 20 0 GDADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br)C(=O)[O-] ZINC001590777051 990581217 /nfs/dbraw/zinc/58/12/17/990581217.db2.gz SEVHFZDNIKUUMC-UHFFFAOYSA-N -3 3 398.206 1.676 20 0 GDADHL CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC001599751721 991999669 /nfs/dbraw/zinc/99/96/69/991999669.db2.gz LZFYBWCRSJRRQF-UHFFFAOYSA-N -2 3 399.446 1.478 20 0 GDADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001599760097 992108866 /nfs/dbraw/zinc/10/88/66/992108866.db2.gz LZHASMQPEBJDOY-UHFFFAOYSA-N -2 3 398.416 1.189 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2CCSC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC001599761424 992127292 /nfs/dbraw/zinc/12/72/92/992127292.db2.gz ZCHLOIRRJXBWTK-LLVKDONJSA-N -2 3 378.859 1.354 20 0 GDADHL CS(=O)(=O)[C@H]1C[C@]1(CNCc1cccc([O-])c1Br)C(=O)[O-] ZINC001599763270 992150653 /nfs/dbraw/zinc/15/06/53/992150653.db2.gz BEGNAKSZLOXXSW-GXFFZTMASA-N -2 3 378.244 1.132 20 0 GDADHL CN1CC[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001598588113 993413409 /nfs/dbraw/zinc/41/34/09/993413409.db2.gz SKYKQIYMXIEFHY-DGCLKSJQSA-N -2 3 385.442 1.704 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc1NC(C)=O ZINC001599617637 994037156 /nfs/dbraw/zinc/03/71/56/994037156.db2.gz HERBJLQYZNKCBB-UHFFFAOYSA-N -2 3 394.405 1.918 20 0 GDADHL CNC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Cc1ccc(F)cc1C ZINC001598634288 994221860 /nfs/dbraw/zinc/22/18/60/994221860.db2.gz 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UYDORTSKYAMDAS-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822203460 599621779 /nfs/dbraw/zinc/62/17/79/599621779.db2.gz UYDORTSKYAMDAS-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000822929477 599627442 /nfs/dbraw/zinc/62/74/42/599627442.db2.gz VAEOZVGQMMOTIP-KHPPLWFESA-N -2 3 399.432 1.405 20 0 GDADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000822929477 599627443 /nfs/dbraw/zinc/62/74/43/599627443.db2.gz VAEOZVGQMMOTIP-KHPPLWFESA-N -2 3 399.432 1.405 20 0 GDADHL O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccc2[n-]c(=S)oc2c1 ZINC000823201398 599696887 /nfs/dbraw/zinc/69/68/87/599696887.db2.gz IERRTVCBLQROIR-UHFFFAOYSA-N -2 3 382.409 1.534 20 0 GDADHL O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccc2[n-]c(=S)oc2c1 ZINC000823201398 599696888 /nfs/dbraw/zinc/69/68/88/599696888.db2.gz IERRTVCBLQROIR-UHFFFAOYSA-N -2 3 382.409 1.534 20 0 GDADHL O=C([O-])CCc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000739759153 599768509 /nfs/dbraw/zinc/76/85/09/599768509.db2.gz IXXXWFGKVFHDRO-UHFFFAOYSA-N -2 3 396.197 1.367 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCN2CCN(c3ccc(F)cc3)CC2)o1 ZINC000740176656 599770325 /nfs/dbraw/zinc/77/03/25/599770325.db2.gz NNBHJXSJVDTCLH-UHFFFAOYSA-N -2 3 397.428 1.217 20 0 GDADHL Cc1ccc(C(=O)NCCC(=O)NCCOc2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC000738514327 599951139 /nfs/dbraw/zinc/95/11/39/599951139.db2.gz BTBRYWCANKJKSE-UHFFFAOYSA-N -2 3 386.404 1.714 20 0 GDADHL O=C([O-])C1CCC(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000261989830 600073712 /nfs/dbraw/zinc/07/37/12/600073712.db2.gz DTNKOZRGVIEGLN-UHFFFAOYSA-N -2 3 380.875 1.439 20 0 GDADHL Cc1cc(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)c(C(=O)[O-])[nH]1 ZINC000738421812 600124251 /nfs/dbraw/zinc/12/42/51/600124251.db2.gz RKEWPNIWGDMDGB-UHFFFAOYSA-N -2 3 389.412 1.233 20 0 GDADHL Cc1[nH]c(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc([O-])cc2)c(C)c1C(=O)[O-] ZINC000738236818 600164497 /nfs/dbraw/zinc/16/44/97/600164497.db2.gz PFONEEOWOCMLAA-LLVKDONJSA-N -2 3 388.376 1.580 20 0 GDADHL CCCc1nc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)nn1-c1ccccc1Cl ZINC000737050436 600182446 /nfs/dbraw/zinc/18/24/46/600182446.db2.gz KOFQUJGHMAGFAF-UHFFFAOYSA-N -2 3 389.803 1.871 20 0 GDADHL C[C@](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)(C(=O)[O-])C1CC1 ZINC000539606563 600200245 /nfs/dbraw/zinc/20/02/45/600200245.db2.gz YLDGOPFQLXOPJS-QGZVFWFLSA-N -2 3 395.412 1.938 20 0 GDADHL Cc1cc(Br)c(S(=O)(=O)[N-]CC(=O)[O-])c(Br)c1 ZINC000534763230 600701328 /nfs/dbraw/zinc/70/13/28/600701328.db2.gz MEEFJJJKIQNAFH-UHFFFAOYSA-N -2 3 387.049 1.883 20 0 GDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(CCN3CCOCC3)cc2)cc1C(=O)[O-] ZINC000833055459 600828592 /nfs/dbraw/zinc/82/85/92/600828592.db2.gz ATIUGETWJQQNBP-UHFFFAOYSA-N -2 3 393.465 1.399 20 0 GDADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN(C)C)cc2)cc1C(=O)[O-] ZINC000832955784 600829632 /nfs/dbraw/zinc/82/96/32/600829632.db2.gz FHXLFKWGEKUWED-UHFFFAOYSA-N -2 3 391.449 1.994 20 0 GDADHL O=C([O-])[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccn1 ZINC000833110521 600909604 /nfs/dbraw/zinc/90/96/04/600909604.db2.gz SPJDVYUDPLOJIB-GFCCVEGCSA-N -2 3 389.842 1.017 20 0 GDADHL CN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC1 ZINC000830960062 600981197 /nfs/dbraw/zinc/98/11/97/600981197.db2.gz FWJCQXLYHURZBB-UHFFFAOYSA-N -2 3 398.872 1.919 20 0 GDADHL O=C([O-])[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccn1 ZINC000739375256 601123936 /nfs/dbraw/zinc/12/39/36/601123936.db2.gz YALUKXQRWCYPEI-HNNXBMFYSA-N -2 3 393.396 1.217 20 0 GDADHL CC(C)c1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820206364 607495270 /nfs/dbraw/zinc/49/52/70/607495270.db2.gz IZXRMPQQBDYBFP-UHFFFAOYSA-N -2 3 378.439 1.565 20 0 GDADHL CC(C)c1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820206364 607495271 /nfs/dbraw/zinc/49/52/71/607495271.db2.gz IZXRMPQQBDYBFP-UHFFFAOYSA-N -2 3 378.439 1.565 20 0 GDADHL CCOC(=O)N[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)CC(C)C ZINC000829861193 601216088 /nfs/dbraw/zinc/21/60/88/601216088.db2.gz OTNVWWBDZRJBFN-LLVKDONJSA-N -2 3 376.431 1.725 20 0 GDADHL Cc1oc(S(=O)(=O)[N-]C2CCN(C(=O)CC(F)(F)F)CC2)cc1C(=O)[O-] ZINC000833029001 601220301 /nfs/dbraw/zinc/22/03/01/601220301.db2.gz WHWWWAJQMMUGGG-UHFFFAOYSA-N -2 3 398.359 1.508 20 0 GDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2=O)cc1C(=O)[O-] ZINC000833027188 601222328 /nfs/dbraw/zinc/22/23/28/601222328.db2.gz FDVAUVIJEXCGIB-AWEZNQCLSA-N -2 3 378.406 1.760 20 0 GDADHL COC(=O)N1CCC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000831203507 601232574 /nfs/dbraw/zinc/23/25/74/601232574.db2.gz KBHHNSDSRJGJPH-UHFFFAOYSA-N -2 3 378.353 1.172 20 0 GDADHL CN(CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)CC(F)(F)F ZINC000830784963 601235982 /nfs/dbraw/zinc/23/59/82/601235982.db2.gz BDTYXRXJOVKQSO-UHFFFAOYSA-N -2 3 376.303 1.435 20 0 GDADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000729666802 601329872 /nfs/dbraw/zinc/32/98/72/601329872.db2.gz BDMVFONCFQHDLA-UHFFFAOYSA-N -2 3 382.369 1.450 20 0 GDADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC1CCCC1 ZINC000832840183 601394036 /nfs/dbraw/zinc/39/40/36/601394036.db2.gz IKDFXBDVICZVPA-QMMMGPOBSA-N -2 3 377.365 1.816 20 0 GDADHL COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)CC3(CC(=O)[O-])CC3)n2)c1 ZINC000832516018 601519368 /nfs/dbraw/zinc/51/93/68/601519368.db2.gz ZYEDTTMWCCPBFA-LLVKDONJSA-N -2 3 395.437 1.981 20 0 GDADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCOC1 ZINC000548836267 601594945 /nfs/dbraw/zinc/59/49/45/601594945.db2.gz PKCMSPQASNBMHQ-CQSZACIVSA-N -2 3 388.854 1.986 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)o1 ZINC000262930449 601610604 /nfs/dbraw/zinc/61/06/04/601610604.db2.gz JWFJEXWGODVMFA-ZUZCIYMTSA-N -2 3 380.422 1.688 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)ccc1F ZINC000831029203 601625150 /nfs/dbraw/zinc/62/51/50/601625150.db2.gz KEEGNFRHBIZSOQ-LBPRGKRZSA-N -2 3 392.408 1.953 20 0 GDADHL CCC1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)(C(=O)[O-])CC1 ZINC000829094170 601674471 /nfs/dbraw/zinc/67/44/71/601674471.db2.gz QDEVBEDTVMLUHD-UHFFFAOYSA-N -2 3 386.445 1.887 20 0 GDADHL CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000830391205 601682732 /nfs/dbraw/zinc/68/27/32/601682732.db2.gz WKFCUQQLWIDPHZ-UHFFFAOYSA-N -2 3 385.369 1.944 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(C[C@H]3CCCO3)c2)c1-c1nnn[n-]1 ZINC000826304076 607535006 /nfs/dbraw/zinc/53/50/06/607535006.db2.gz VEVZUWXBMXHKJK-CYBMUJFWSA-N -2 3 389.441 1.351 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(C[C@H]3CCCO3)c2)c1-c1nn[n-]n1 ZINC000826304076 607535007 /nfs/dbraw/zinc/53/50/07/607535007.db2.gz VEVZUWXBMXHKJK-CYBMUJFWSA-N -2 3 389.441 1.351 20 0 GDADHL COCCOc1ncccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826163508 607535530 /nfs/dbraw/zinc/53/55/30/607535530.db2.gz XPPLFUDMOUOKMY-UHFFFAOYSA-N -2 3 390.425 1.396 20 0 GDADHL COCCOc1ncccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826163508 607535532 /nfs/dbraw/zinc/53/55/32/607535532.db2.gz XPPLFUDMOUOKMY-UHFFFAOYSA-N -2 3 390.425 1.396 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)c1-c1nnn[n-]1 ZINC000826303750 607536389 /nfs/dbraw/zinc/53/63/89/607536389.db2.gz CXLXYMMFUNUMBA-DEOSSOPVSA-N -2 3 377.451 1.713 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)c1-c1nn[n-]n1 ZINC000826303750 607536391 /nfs/dbraw/zinc/53/63/91/607536391.db2.gz CXLXYMMFUNUMBA-DEOSSOPVSA-N -2 3 377.451 1.713 20 0 GDADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826304035 607538055 /nfs/dbraw/zinc/53/80/55/607538055.db2.gz SLHQZUJFOQGYBU-UHFFFAOYSA-N -2 3 378.439 1.445 20 0 GDADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826304035 607538057 /nfs/dbraw/zinc/53/80/57/607538057.db2.gz SLHQZUJFOQGYBU-UHFFFAOYSA-N -2 3 378.439 1.445 20 0 GDADHL CN(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000739578041 602036379 /nfs/dbraw/zinc/03/63/79/602036379.db2.gz JIYJMUGHFFVOSC-UKRRQHHQSA-N -2 3 375.425 1.598 20 0 GDADHL COc1ccccc1[C@@H](CNC(=O)CNC(=O)c1ccc([O-])cc1)NC(=O)[O-] ZINC000739963556 602064504 /nfs/dbraw/zinc/06/45/04/602064504.db2.gz YVTWSGMLJYOEFA-OAHLLOKOSA-N -2 3 387.392 1.256 20 0 GDADHL CC(C)[C@@H](NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000769558238 602110181 /nfs/dbraw/zinc/11/01/81/602110181.db2.gz AMFVXDGTCJDWPG-JOYOIKCWSA-N -2 3 377.850 1.017 20 0 GDADHL CC(C)N1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1=O ZINC000826960699 602152080 /nfs/dbraw/zinc/15/20/80/602152080.db2.gz FKUHEXYHGDRJLP-SSDOTTSWSA-N -2 3 395.231 1.028 20 0 GDADHL CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000828617955 602192676 /nfs/dbraw/zinc/19/26/76/602192676.db2.gz NIJSZIQSBAEKMH-BONVTDFDSA-N -2 3 391.877 1.552 20 0 GDADHL COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N[C@H](C)C(=O)[O-])c2)c1 ZINC000820775436 602273554 /nfs/dbraw/zinc/27/35/54/602273554.db2.gz 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385.396 1.237 20 0 GDADHL CC1(C)[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H]2CCO[C@@H]21 ZINC000820583052 606891806 /nfs/dbraw/zinc/89/18/06/606891806.db2.gz AZGQDTOVPBBELM-WQHBLYJGSA-N -2 3 385.396 1.237 20 0 GDADHL CO[C@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000821677491 606892277 /nfs/dbraw/zinc/89/22/77/606892277.db2.gz YFZYNIAJWAHRLI-MRVPVSSYSA-N -2 3 387.290 1.001 20 0 GDADHL CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000821677994 606894095 /nfs/dbraw/zinc/89/40/95/606894095.db2.gz HYMWNPFYODIHLK-IAQYHMDHSA-N -2 3 387.412 1.627 20 0 GDADHL Cc1ccnc(-n2nccc2[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822374279 606980889 /nfs/dbraw/zinc/98/08/89/606980889.db2.gz PDQZMVFIHIHAHT-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1ccnc(-n2nccc2[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822374279 606980890 /nfs/dbraw/zinc/98/08/90/606980890.db2.gz PDQZMVFIHIHAHT-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ncc(-c4nnn[n-]4)s3)ccc21 ZINC000819796528 607025143 /nfs/dbraw/zinc/02/51/43/607025143.db2.gz KYFPHJAYFLMMOX-UHFFFAOYSA-N -2 3 391.438 1.033 20 0 GDADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cnn(-c2ccccc2F)c1 ZINC000823589074 607027339 /nfs/dbraw/zinc/02/73/39/607027339.db2.gz LREWHPQXTDFQAN-UHFFFAOYSA-N -2 3 392.401 1.449 20 0 GDADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000486859827 607153072 /nfs/dbraw/zinc/15/30/72/607153072.db2.gz DTENUPPKVOJGQV-UHFFFAOYSA-N -2 3 397.413 1.210 20 0 GDADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000366179023 607153125 /nfs/dbraw/zinc/15/31/25/607153125.db2.gz MQUBNXMVENNPHF-UHFFFAOYSA-N -2 3 397.413 1.210 20 0 GDADHL O=C(C[C@@H]1CSCCS1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826404943 607776775 /nfs/dbraw/zinc/77/67/75/607776775.db2.gz QXBVLVUYJFGPPH-GFCCVEGCSA-N -2 3 399.523 1.051 20 0 GDADHL O=C(C[C@@H]1CSCCS1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826404943 607776776 /nfs/dbraw/zinc/77/67/76/607776776.db2.gz QXBVLVUYJFGPPH-GFCCVEGCSA-N -2 3 399.523 1.051 20 0 GDADHL CC1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000824795950 607776864 /nfs/dbraw/zinc/77/68/64/607776864.db2.gz JNUIHYOXHSIEBS-VIFPVBQESA-N -2 3 389.359 1.737 20 0 GDADHL Cc1cc(F)c(S(=O)(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1C(=O)[O-] ZINC000826268460 607809709 /nfs/dbraw/zinc/80/97/09/607809709.db2.gz YEYZKUKDJNRJLH-UHFFFAOYSA-N -2 3 391.384 1.838 20 0 GDADHL Cc1cc(F)c(S(=O)(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1C(=O)[O-] ZINC000826268460 607809710 /nfs/dbraw/zinc/80/97/10/607809710.db2.gz YEYZKUKDJNRJLH-UHFFFAOYSA-N -2 3 391.384 1.838 20 0 GDADHL O=C([O-])Cc1cccc(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826461066 607827672 /nfs/dbraw/zinc/82/76/72/607827672.db2.gz DWXCRRDCLMPEST-UHFFFAOYSA-N -2 3 391.384 1.575 20 0 GDADHL Cc1noc(C)c1[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826338014 607836873 /nfs/dbraw/zinc/83/68/73/607836873.db2.gz 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O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000826461189 608011278 /nfs/dbraw/zinc/01/12/78/608011278.db2.gz JTELYXZLSIRBEF-MRVPVSSYSA-N -2 3 387.368 1.020 20 0 GDADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825074641 608144528 /nfs/dbraw/zinc/14/45/28/608144528.db2.gz IXUCEKJUWHWILS-BXUZGUMPSA-N -2 3 381.458 1.515 20 0 GDADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825074641 608144529 /nfs/dbraw/zinc/14/45/29/608144529.db2.gz IXUCEKJUWHWILS-BXUZGUMPSA-N -2 3 381.458 1.515 20 0 GDADHL O=C(CCCC(F)(F)F)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826405678 608197837 /nfs/dbraw/zinc/19/78/37/608197837.db2.gz PKLUZQXZDUXCII-UHFFFAOYSA-N -2 3 377.348 1.545 20 0 GDADHL O=C(CCCC(F)(F)F)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826405678 608197839 /nfs/dbraw/zinc/19/78/39/608197839.db2.gz PKLUZQXZDUXCII-UHFFFAOYSA-N -2 3 377.348 1.545 20 0 GDADHL Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000826338092 608492162 /nfs/dbraw/zinc/49/21/62/608492162.db2.gz KWYHSMAZBKYNKJ-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826338092 608492163 /nfs/dbraw/zinc/49/21/63/608492163.db2.gz KWYHSMAZBKYNKJ-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL O=C([N-]S(=O)(=O)CC1CCC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826449883 609257750 /nfs/dbraw/zinc/25/77/50/609257750.db2.gz NNSMRDTZQNXXMI-OAHLLOKOSA-N -2 3 390.469 1.082 20 0 GDADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000824730979 609258610 /nfs/dbraw/zinc/25/86/10/609258610.db2.gz RTISKOCCMWBWTD-YVEFUNNKSA-N -2 3 393.403 1.845 20 0 GDADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCOC1 ZINC000824784553 609355556 /nfs/dbraw/zinc/35/55/56/609355556.db2.gz WICYITHDCWYAOF-CQSZACIVSA-N -2 3 385.833 1.142 20 0 GDADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCOC1 ZINC000824784553 609355557 /nfs/dbraw/zinc/35/55/57/609355557.db2.gz 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O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c(O)c1 ZINC000826461898 609526949 /nfs/dbraw/zinc/52/69/49/609526949.db2.gz JLQJIKQYFDGZEL-UHFFFAOYSA-N -3 3 395.784 1.725 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c(O)c1 ZINC000826461898 609526950 /nfs/dbraw/zinc/52/69/50/609526950.db2.gz JLQJIKQYFDGZEL-UHFFFAOYSA-N -3 3 395.784 1.725 20 0 GDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2N(C)S(C)(=O)=O)c1 ZINC000538298064 650308108 /nfs/dbraw/zinc/30/81/08/650308108.db2.gz IPNQCMGXTJBZCY-UHFFFAOYSA-N -2 3 386.451 1.597 20 0 GDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(OC)c2)c1 ZINC000547553026 650501095 /nfs/dbraw/zinc/50/10/95/650501095.db2.gz NAAMEWDETSTKEN-ZDUSSCGKSA-N -2 3 385.419 1.648 20 0 GDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)C(=O)[O-])sc1Br ZINC000547552593 650501191 /nfs/dbraw/zinc/50/11/91/650501191.db2.gz CSOWECKPRQGIKG-IUCAKERBSA-N -2 3 398.300 1.977 20 0 GDADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1F ZINC000547580580 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O=c1nc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)[n-]o1 ZINC000392175380 532298599 /nfs/dbraw/zinc/29/85/99/532298599.db2.gz SZMCIVZKAUZOGB-UHFFFAOYSA-N -2 3 382.623 1.300 20 0 GDADHL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000392680969 532299509 /nfs/dbraw/zinc/29/95/09/532299509.db2.gz QBADOQFYRMVXFJ-UHFFFAOYSA-N -2 3 390.826 1.486 20 0 GDADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc1F ZINC000288659689 532301733 /nfs/dbraw/zinc/30/17/33/532301733.db2.gz RKIRNZLUBXDYEQ-ZETCQYMHSA-N -2 3 378.369 1.816 20 0 GDADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2ccc(C(=O)OC)s2)(C(=O)[O-])C1(C)C ZINC000275810227 532311168 /nfs/dbraw/zinc/31/11/68/532311168.db2.gz XUQDIDTUXNWUJJ-BMIGLBTASA-N -2 3 391.467 1.471 20 0 GDADHL COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])s1 ZINC000276212598 532323281 /nfs/dbraw/zinc/32/32/81/532323281.db2.gz KPUMNOUHLIPKKF-JTQLQIEISA-N -2 3 378.472 1.568 20 0 GDADHL CC(C)n1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000735961929 598856855 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385.449 1.925 20 0 GDADHL Cc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737385543 598909846 /nfs/dbraw/zinc/90/98/46/598909846.db2.gz UALGBZVFYKAILC-CYBMUJFWSA-N -2 3 385.449 1.925 20 0 GDADHL Cc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737385543 598909848 /nfs/dbraw/zinc/90/98/48/598909848.db2.gz UALGBZVFYKAILC-CYBMUJFWSA-N -2 3 385.449 1.925 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccn(Cc2ccncc2)n1 ZINC000737226116 598949324 /nfs/dbraw/zinc/94/93/24/598949324.db2.gz PNGNVJGGJOEDKJ-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccn(Cc2ccncc2)n1 ZINC000737226116 598949325 /nfs/dbraw/zinc/94/93/25/598949325.db2.gz PNGNVJGGJOEDKJ-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)ccc1C(=O)N(C)C ZINC000737279468 598950733 /nfs/dbraw/zinc/95/07/33/598950733.db2.gz CZNQJRAFMMAKLJ-UHFFFAOYSA-N -2 3 386.437 1.678 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)ccc1C(=O)N(C)C ZINC000737279468 598950734 /nfs/dbraw/zinc/95/07/34/598950734.db2.gz CZNQJRAFMMAKLJ-UHFFFAOYSA-N -2 3 386.437 1.678 20 0 GDADHL CCc1nc(CC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cs1 ZINC000736699547 598975946 /nfs/dbraw/zinc/97/59/46/598975946.db2.gz LOIQOBMUGIQLEH-UHFFFAOYSA-N -2 3 392.466 1.242 20 0 GDADHL CCc1nc(CC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cs1 ZINC000736699547 598975948 /nfs/dbraw/zinc/97/59/48/598975948.db2.gz LOIQOBMUGIQLEH-UHFFFAOYSA-N -2 3 392.466 1.242 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc2ccccc2n1C ZINC000737298839 598975154 /nfs/dbraw/zinc/97/51/54/598975154.db2.gz LYFZGGJLGCYVPY-UHFFFAOYSA-N -2 3 396.432 1.786 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc2ccccc2n1C ZINC000737298839 598975156 /nfs/dbraw/zinc/97/51/56/598975156.db2.gz LYFZGGJLGCYVPY-UHFFFAOYSA-N -2 3 396.432 1.786 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc2C1 ZINC000737297896 598976469 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1.572 20 0 GDADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000737331181 598978353 /nfs/dbraw/zinc/97/83/53/598978353.db2.gz VYCRZELJSMTKJJ-UHFFFAOYSA-N -2 3 377.451 1.593 20 0 GDADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000737331181 598978354 /nfs/dbraw/zinc/97/83/54/598978354.db2.gz VYCRZELJSMTKJJ-UHFFFAOYSA-N -2 3 377.451 1.593 20 0 GDADHL C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000737171483 599018624 /nfs/dbraw/zinc/01/86/24/599018624.db2.gz BJIFXFGVYQQAON-XMMPIXPASA-N -2 3 377.451 1.546 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)c(C)c1C ZINC000737110954 599028689 /nfs/dbraw/zinc/02/86/89/599028689.db2.gz FPPGFJLAAXKWOR-UHFFFAOYSA-N -2 3 393.450 1.672 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)c(C)c1C ZINC000737110954 599028691 /nfs/dbraw/zinc/02/86/91/599028691.db2.gz FPPGFJLAAXKWOR-UHFFFAOYSA-N -2 3 393.450 1.672 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1c(Cl)nc2ccccn21 ZINC000823583369 599232255 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3 387.421 1.611 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1C ZINC000737110737 599245289 /nfs/dbraw/zinc/24/52/89/599245289.db2.gz DCYBSJADVFWHOU-UHFFFAOYSA-N -2 3 387.421 1.611 20 0 GDADHL O=S(=O)([N-]c1ccc(SC(F)F)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589179 607326839 /nfs/dbraw/zinc/32/68/39/607326839.db2.gz RJMFFGYOKOYOQR-UHFFFAOYSA-N -2 3 385.381 1.772 20 0 GDADHL O=C1OCCN1c1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000738317336 598330751 /nfs/dbraw/zinc/33/07/51/598330751.db2.gz CQFPKGACEICECP-UHFFFAOYSA-N -2 3 386.393 1.624 20 0 GDADHL O=C1OCCN1c1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000738317336 598330753 /nfs/dbraw/zinc/33/07/53/598330753.db2.gz CQFPKGACEICECP-UHFFFAOYSA-N -2 3 386.393 1.624 20 0 GDADHL O=C1OCCN1c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738318637 598331056 /nfs/dbraw/zinc/33/10/56/598331056.db2.gz LLHIZQLJSTZMKS-UHFFFAOYSA-N -2 3 387.381 1.019 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cnc(C2CC2)s1 ZINC000738138770 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O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCc2ccccc21 ZINC000738138018 598799872 /nfs/dbraw/zinc/79/98/72/598799872.db2.gz CCZULIWMKRQMCB-INIZCTEOSA-N -2 3 383.433 1.543 20 0 GDADHL O=C([O-])c1ccc2cccnc2c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738216272 598807854 /nfs/dbraw/zinc/80/78/54/598807854.db2.gz WOSSOHQEHHSHTN-UHFFFAOYSA-N -3 3 396.388 1.914 20 0 GDADHL O=C([O-])c1ccc2cccnc2c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738216272 598807856 /nfs/dbraw/zinc/80/78/56/598807856.db2.gz WOSSOHQEHHSHTN-UHFFFAOYSA-N -3 3 396.388 1.914 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2C)cs1 ZINC000821667989 599302015 /nfs/dbraw/zinc/30/20/15/599302015.db2.gz JZVNPDVLMFFLJG-UHFFFAOYSA-N -2 3 379.423 1.824 20 0 GDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000823387815 599304699 /nfs/dbraw/zinc/30/46/99/599304699.db2.gz YZPSVRWTKDTXGO-UHFFFAOYSA-N -3 3 377.357 1.434 20 0 GDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000823387815 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Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000826249557 607401306 /nfs/dbraw/zinc/40/13/06/607401306.db2.gz IRUJMMAPZCIJAT-UHFFFAOYSA-N -2 3 394.416 1.842 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000826249557 607401308 /nfs/dbraw/zinc/40/13/08/607401308.db2.gz IRUJMMAPZCIJAT-UHFFFAOYSA-N -2 3 394.416 1.842 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)c(F)cc1F ZINC000826272655 607403313 /nfs/dbraw/zinc/40/33/13/607403313.db2.gz VAYVAKSEWPKAQN-UHFFFAOYSA-N -2 3 393.375 1.880 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)c(F)cc1F ZINC000826272655 607403315 /nfs/dbraw/zinc/40/33/15/607403315.db2.gz VAYVAKSEWPKAQN-UHFFFAOYSA-N -2 3 393.375 1.880 20 0 GDADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(S(N)(=O)=O)ccc1F ZINC000738277880 599906323 /nfs/dbraw/zinc/90/63/23/599906323.db2.gz MVLFJQRAZOXLOM-UHFFFAOYSA-N -2 3 388.398 1.281 20 0 GDADHL CC(C)(C)OC(=O)NC[C@@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000736282024 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/nfs/dbraw/zinc/25/22/70/532252270.db2.gz PBKXSRFKYDQFTM-ZETCQYMHSA-N -2 3 384.361 1.099 20 0 GDADHL CC(C)N(CCC(=O)[O-])S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000275146798 532269947 /nfs/dbraw/zinc/26/99/47/532269947.db2.gz QXYSTCRSKBPEOA-UHFFFAOYSA-N -2 3 382.435 1.071 20 0 GDADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CN2CCCCC2)C(=O)[O-])c1 ZINC000275033847 532255754 /nfs/dbraw/zinc/25/57/54/532255754.db2.gz UOIOWMFOXDQJQB-CYBMUJFWSA-N -2 3 376.862 1.566 20 0 GDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C)c2)s1 ZINC000275072659 532261241 /nfs/dbraw/zinc/26/12/41/532261241.db2.gz LOFGWACAXAISJD-OAHLLOKOSA-N -2 3 382.463 1.797 20 0 GDADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1F ZINC000275122130 532267120 /nfs/dbraw/zinc/26/71/20/532267120.db2.gz MIZFVXMAWOLBOZ-UHFFFAOYSA-N -2 3 396.462 1.463 20 0 GDADHL NC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000275133714 532268396 /nfs/dbraw/zinc/26/83/96/532268396.db2.gz VTBXXKSDPUOSAV-QMMMGPOBSA-N -2 3 388.751 1.356 20 0 GDADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000275201890 532276447 /nfs/dbraw/zinc/27/64/47/532276447.db2.gz GTZLDYFDXJWNMX-VIFPVBQESA-N -2 3 387.307 1.529 20 0 GDADHL Cn1cc(C[C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C(=O)[O-])cn1 ZINC000275207951 532277435 /nfs/dbraw/zinc/27/74/35/532277435.db2.gz HKSGXLOIRZGEJC-LLVKDONJSA-N -2 3 377.344 1.413 20 0 GDADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])c1Cl ZINC000390410181 532297646 /nfs/dbraw/zinc/29/76/46/532297646.db2.gz KXDHTJKRDPJDAM-SECBINFHSA-N -2 3 383.253 1.607 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-])c(Cl)c1Cl ZINC000275676888 532304928 /nfs/dbraw/zinc/30/49/28/532304928.db2.gz QGTDLNLWCOXGMQ-ZDUSSCGKSA-N -2 3 386.253 1.754 20 0 GDADHL Cc1c(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cnn1-c1ccccn1 ZINC000275369474 532290842 /nfs/dbraw/zinc/29/08/42/532290842.db2.gz YMVHKWZKESQQHC-SECBINFHSA-N -2 3 378.332 1.260 20 0 GDADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2ccsc2C(=O)OC)(C(=O)[O-])C1(C)C ZINC000275818103 532311311 /nfs/dbraw/zinc/31/13/11/532311311.db2.gz YNTGISFLCNLWQQ-ZUZCIYMTSA-N -2 3 391.467 1.471 20 0 GDADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2ccsc2C(=O)OC)(C(=O)[O-])C1(C)C ZINC000275818089 532311465 /nfs/dbraw/zinc/31/14/65/532311465.db2.gz YNTGISFLCNLWQQ-BONVTDFDSA-N -2 3 391.467 1.471 20 0 GDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C(=O)[O-])c1 ZINC000737360708 598844112 /nfs/dbraw/zinc/84/41/12/598844112.db2.gz AQUCQFCINYBWSS-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C(=O)[O-])c1 ZINC000737360708 598844113 /nfs/dbraw/zinc/84/41/13/598844113.db2.gz AQUCQFCINYBWSS-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1C(N)=O ZINC000737400780 598844156 /nfs/dbraw/zinc/84/41/56/598844156.db2.gz ZWXYTWLWMREOCN-UHFFFAOYSA-N -2 3 376.373 1.214 20 0 GDADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1C(N)=O ZINC000737400780 598844157 /nfs/dbraw/zinc/84/41/57/598844157.db2.gz ZWXYTWLWMREOCN-UHFFFAOYSA-N -2 3 376.373 1.214 20 0 GDADHL Cc1c([N-]S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cccc1C(=O)[O-] ZINC000737217316 598845421 /nfs/dbraw/zinc/84/54/21/598845421.db2.gz BLOZDBSZEAMWQM-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL Cc1c([N-]S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cccc1C(=O)[O-] ZINC000737217316 598845422 /nfs/dbraw/zinc/84/54/22/598845422.db2.gz BLOZDBSZEAMWQM-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL C[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736267098 598855613 /nfs/dbraw/zinc/85/56/13/598855613.db2.gz AOMINCQESWRQKJ-SMDDNHRTSA-N -2 3 379.442 1.267 20 0 GDADHL C[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736267098 598855614 /nfs/dbraw/zinc/85/56/14/598855614.db2.gz AOMINCQESWRQKJ-SMDDNHRTSA-N -2 3 379.442 1.267 20 0 GDADHL C[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736274897 598855918 /nfs/dbraw/zinc/85/59/18/598855918.db2.gz WDRCYUXCYRBDJA-SWLSCSKDSA-N -2 3 393.469 1.408 20 0 GDADHL C[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736274897 598855920 /nfs/dbraw/zinc/85/59/20/598855920.db2.gz WDRCYUXCYRBDJA-SWLSCSKDSA-N -2 3 393.469 1.408 20 0 GDADHL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736949153 598948107 /nfs/dbraw/zinc/94/81/07/598948107.db2.gz DWNNAAAKFWCTCK-UHFFFAOYSA-N -2 3 391.384 1.902 20 0 GDADHL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736949153 598948109 /nfs/dbraw/zinc/94/81/09/598948109.db2.gz DWNNAAAKFWCTCK-UHFFFAOYSA-N -2 3 391.384 1.902 20 0 GDADHL Cc1c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cccc1-c1nn[nH]n1 ZINC000822130596 607255309 /nfs/dbraw/zinc/25/53/09/607255309.db2.gz WXKZZTYKKDKRDX-UHFFFAOYSA-N -2 3 389.393 1.439 20 0 GDADHL CO[C@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000736957333 598975864 /nfs/dbraw/zinc/97/58/64/598975864.db2.gz QERMTVHTHWJECR-HNNXBMFYSA-N -2 3 387.421 1.368 20 0 GDADHL CO[C@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000736957333 598975866 /nfs/dbraw/zinc/97/58/66/598975866.db2.gz QERMTVHTHWJECR-HNNXBMFYSA-N -2 3 387.421 1.368 20 0 GDADHL Cc1cc2c[nH]nc2c(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737236399 598974552 /nfs/dbraw/zinc/97/45/52/598974552.db2.gz JTAWYJRRXZSIPP-UHFFFAOYSA-N -2 3 397.420 1.479 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCc1ccccc1F ZINC000737297599 598977904 /nfs/dbraw/zinc/97/79/04/598977904.db2.gz DDLVMLXTQIUPGJ-UHFFFAOYSA-N -2 3 389.412 1.752 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCc1ccccc1F ZINC000737297599 598977906 /nfs/dbraw/zinc/97/79/06/598977906.db2.gz DDLVMLXTQIUPGJ-UHFFFAOYSA-N -2 3 389.412 1.752 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)cc1OC ZINC000737111871 599025467 /nfs/dbraw/zinc/02/54/67/599025467.db2.gz OZKCFXNNSOUMSZ-UHFFFAOYSA-N -2 3 395.422 1.064 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)cc1OC ZINC000737111871 599025468 /nfs/dbraw/zinc/02/54/68/599025468.db2.gz OZKCFXNNSOUMSZ-UHFFFAOYSA-N -2 3 395.422 1.064 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000736185842 599220997 /nfs/dbraw/zinc/22/09/97/599220997.db2.gz WDPNAVWQRFIGTQ-LLVKDONJSA-N -2 3 379.376 1.922 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000736185842 599221000 /nfs/dbraw/zinc/22/10/00/599221000.db2.gz WDPNAVWQRFIGTQ-LLVKDONJSA-N -2 3 379.376 1.922 20 0 GDADHL CC(C)C[C@H](NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000765044858 597106919 /nfs/dbraw/zinc/10/69/19/597106919.db2.gz VXTIBMQGKBYFDQ-QWRGUYRKSA-N -2 3 391.877 1.407 20 0 GDADHL O=S(=O)([N-]c1nncs1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823589367 607319908 /nfs/dbraw/zinc/31/99/08/607319908.db2.gz WLDHDGJGPMMHTB-UHFFFAOYSA-N -2 3 377.333 1.538 20 0 GDADHL O=S(=O)([N-]c1nncs1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823589367 607319909 /nfs/dbraw/zinc/31/99/09/607319909.db2.gz WLDHDGJGPMMHTB-UHFFFAOYSA-N -2 3 377.333 1.538 20 0 GDADHL O=C([O-])c1cccc(CNC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000666566191 598184347 /nfs/dbraw/zinc/18/43/47/598184347.db2.gz ISOCYTAJUKGZFG-UHFFFAOYSA-N -2 3 383.404 1.758 20 0 GDADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737559928 598283666 /nfs/dbraw/zinc/28/36/66/598283666.db2.gz DVXVSSXCZUEVKW-UHFFFAOYSA-N -3 3 383.386 1.875 20 0 GDADHL CN(C)c1ncccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736778692 598296087 /nfs/dbraw/zinc/29/60/87/598296087.db2.gz JLOMAFFKBXASLD-UHFFFAOYSA-N -2 3 379.833 1.782 20 0 GDADHL CN(C)c1ncccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736778692 598296089 /nfs/dbraw/zinc/29/60/89/598296089.db2.gz JLOMAFFKBXASLD-UHFFFAOYSA-N -2 3 379.833 1.782 20 0 GDADHL O=C([O-])COc1ccccc1C=C1N=C(c2ccc(-c3nnn[n-]3)cc2)OC1=O ZINC000738206689 598378735 /nfs/dbraw/zinc/37/87/35/598378735.db2.gz GKWQZDBYOZGARE-ZROIWOOFSA-N -2 3 391.343 1.675 20 0 GDADHL O=C([O-])COc1ccccc1C=C1N=C(c2ccc(-c3nn[n-]n3)cc2)OC1=O ZINC000738206689 598378736 /nfs/dbraw/zinc/37/87/36/598378736.db2.gz GKWQZDBYOZGARE-ZROIWOOFSA-N -2 3 391.343 1.675 20 0 GDADHL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738214368 598382190 /nfs/dbraw/zinc/38/21/90/598382190.db2.gz LUNKXSLQYFOMHV-UHFFFAOYSA-N -3 3 396.388 1.914 20 0 GDADHL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738214368 598382191 /nfs/dbraw/zinc/38/21/91/598382191.db2.gz LUNKXSLQYFOMHV-UHFFFAOYSA-N -3 3 396.388 1.914 20 0 GDADHL CC(C)COCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735838725 598414082 /nfs/dbraw/zinc/41/40/82/598414082.db2.gz ULTCIMKEJHRWRU-UHFFFAOYSA-N -2 3 387.849 1.388 20 0 GDADHL CC(C)COCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735838725 598414084 /nfs/dbraw/zinc/41/40/84/598414084.db2.gz ULTCIMKEJHRWRU-UHFFFAOYSA-N -2 3 387.849 1.388 20 0 GDADHL CCCSCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736498478 598414907 /nfs/dbraw/zinc/41/49/07/598414907.db2.gz 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COC(=O)c1sc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000736957605 598512515 /nfs/dbraw/zinc/51/25/15/598512515.db2.gz TWQGKFPRHSPGNY-UHFFFAOYSA-N -2 3 379.423 1.824 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCOc2ccccc21 ZINC000738139713 598642484 /nfs/dbraw/zinc/64/24/84/598642484.db2.gz NYDVGFNPBCTVNS-AWEZNQCLSA-N -2 3 385.405 1.238 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCOc2ccccc21 ZINC000738139713 598642486 /nfs/dbraw/zinc/64/24/86/598642486.db2.gz NYDVGFNPBCTVNS-AWEZNQCLSA-N -2 3 385.405 1.238 20 0 GDADHL C[C@@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736261005 598801969 /nfs/dbraw/zinc/80/19/69/598801969.db2.gz JNCARZMFAQXKIV-YPMHNXCESA-N -2 3 379.442 1.267 20 0 GDADHL C[C@@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736261005 598801970 /nfs/dbraw/zinc/80/19/70/598801970.db2.gz JNCARZMFAQXKIV-YPMHNXCESA-N -2 3 379.442 1.267 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1Cl 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COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736941774 598283335 /nfs/dbraw/zinc/28/33/35/598283335.db2.gz UXNCECDSLDPGJZ-UHFFFAOYSA-N -2 3 377.357 1.593 20 0 GDADHL COc1cccc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737129835 598414706 /nfs/dbraw/zinc/41/47/06/598414706.db2.gz UJBGKFPPFQUSPS-JKSUJKDBSA-N -2 3 399.432 1.484 20 0 GDADHL COc1cccc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737129835 598414708 /nfs/dbraw/zinc/41/47/08/598414708.db2.gz UJBGKFPPFQUSPS-JKSUJKDBSA-N -2 3 399.432 1.484 20 0 GDADHL CSc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737190271 598433181 /nfs/dbraw/zinc/43/31/81/598433181.db2.gz FGXGLAHSOVFFBQ-UHFFFAOYSA-N -2 3 381.464 1.769 20 0 GDADHL CSc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737190271 598433183 /nfs/dbraw/zinc/43/31/83/598433183.db2.gz FGXGLAHSOVFFBQ-UHFFFAOYSA-N -2 3 381.464 1.769 20 0 GDADHL CCOC(=O)c1csc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000736605134 598437520 /nfs/dbraw/zinc/43/75/20/598437520.db2.gz DRTJXIABDVCDEZ-UHFFFAOYSA-N -2 3 380.411 1.301 20 0 GDADHL CCOC(=O)c1csc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000736605134 598437522 /nfs/dbraw/zinc/43/75/22/598437522.db2.gz DRTJXIABDVCDEZ-UHFFFAOYSA-N -2 3 380.411 1.301 20 0 GDADHL COc1ccccc1C(C)=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737142799 598481730 /nfs/dbraw/zinc/48/17/30/598481730.db2.gz PVTVSOVKUFRTGC-QXMHVHEDSA-N -2 3 399.432 1.784 20 0 GDADHL COc1ccccc1C(C)=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737142799 598481732 /nfs/dbraw/zinc/48/17/32/598481732.db2.gz PVTVSOVKUFRTGC-QXMHVHEDSA-N -2 3 399.432 1.784 20 0 GDADHL O=C(Cc1cccc(Cl)c1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737968528 598536978 /nfs/dbraw/zinc/53/69/78/598536978.db2.gz IGQDMUUZBIDIQO-UHFFFAOYSA-N -2 3 391.840 1.709 20 0 GDADHL O=C(Cc1cccc(Cl)c1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737968528 598536980 /nfs/dbraw/zinc/53/69/80/598536980.db2.gz IGQDMUUZBIDIQO-UHFFFAOYSA-N -2 3 391.840 1.709 20 0 GDADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737452736 598548368 /nfs/dbraw/zinc/54/83/68/598548368.db2.gz KBUFWABLVQZFND-UHFFFAOYSA-N -2 3 385.356 1.609 20 0 GDADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737452736 598548369 /nfs/dbraw/zinc/54/83/69/598548369.db2.gz KBUFWABLVQZFND-UHFFFAOYSA-N -2 3 385.356 1.609 20 0 GDADHL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737343860 598607129 /nfs/dbraw/zinc/60/71/29/598607129.db2.gz WJMSYPDNDWUKSN-UHFFFAOYSA-N -2 3 385.409 1.814 20 0 GDADHL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737343860 598607130 /nfs/dbraw/zinc/60/71/30/598607130.db2.gz WJMSYPDNDWUKSN-UHFFFAOYSA-N -2 3 385.409 1.814 20 0 GDADHL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccccc3-c3nnn[n-]3)ccc12 ZINC000738213840 598675874 /nfs/dbraw/zinc/67/58/74/598675874.db2.gz IFOBVYLVQXCJSB-UHFFFAOYSA-N -3 3 384.377 1.847 20 0 GDADHL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)ccc12 ZINC000738213840 598675876 /nfs/dbraw/zinc/67/58/76/598675876.db2.gz IFOBVYLVQXCJSB-UHFFFAOYSA-N -3 3 384.377 1.847 20 0 GDADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736422023 598785101 /nfs/dbraw/zinc/78/51/01/598785101.db2.gz FCJDJCVSAHEEBU-VXGBXAGGSA-N -2 3 381.458 1.516 20 0 GDADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736422023 598785104 /nfs/dbraw/zinc/78/51/04/598785104.db2.gz FCJDJCVSAHEEBU-VXGBXAGGSA-N -2 3 381.458 1.516 20 0 GDADHL CC(C)(C)CS(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735617843 598801058 /nfs/dbraw/zinc/80/10/58/598801058.db2.gz BRPHJUWIDMFOKI-UHFFFAOYSA-N -2 3 395.485 1.908 20 0 GDADHL CC(C)(C)CS(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735617843 598801060 /nfs/dbraw/zinc/80/10/60/598801060.db2.gz BRPHJUWIDMFOKI-UHFFFAOYSA-N -2 3 395.485 1.908 20 0 GDADHL C[C@@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736262951 598801981 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20 0 GDADHL O=C(CCC(=O)c1ccccc1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822950352 599621803 /nfs/dbraw/zinc/62/18/03/599621803.db2.gz KTSBPFKUCDOCCC-UHFFFAOYSA-N -2 3 399.432 1.476 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCN(C(=O)c3ccccc3F)CC2)o1 ZINC000740175718 599771504 /nfs/dbraw/zinc/77/15/04/599771504.db2.gz WJCKOMGKVJMHKT-UHFFFAOYSA-N -2 3 396.396 1.700 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000740176625 599773857 /nfs/dbraw/zinc/77/38/57/599773857.db2.gz LIARONJNUAVDFH-UHFFFAOYSA-N -2 3 393.826 1.383 20 0 GDADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000591683723 599853736 /nfs/dbraw/zinc/85/37/36/599853736.db2.gz QPUSTZXIFAVVSP-UHFFFAOYSA-N -2 3 378.406 1.619 20 0 GDADHL CN(c1ccccc1)S(=O)(=O)c1cccc([N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC000737505678 599872310 /nfs/dbraw/zinc/87/23/10/599872310.db2.gz GBSLNZSHGZAGNG-UHFFFAOYSA-N -2 3 398.462 1.728 20 0 GDADHL C[C@@H](CC(=O)NCCCCC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000736541328 600175209 /nfs/dbraw/zinc/17/52/09/600175209.db2.gz JXUZAYQIENEKBV-JTQLQIEISA-N -2 3 377.850 1.163 20 0 GDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)ccc1F ZINC000736263276 600614800 /nfs/dbraw/zinc/61/48/00/600614800.db2.gz VAVXSQAVJXTKBQ-QGZVFWFLSA-N -2 3 386.445 1.886 20 0 GDADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000831071334 600700653 /nfs/dbraw/zinc/70/06/53/600700653.db2.gz AUVDYCFCATWJLC-ZETCQYMHSA-N -2 3 386.245 1.114 20 0 GDADHL COC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1[O-] ZINC000831209638 600733303 /nfs/dbraw/zinc/73/33/03/600733303.db2.gz DQEGWIHUVBUVTO-SNVBAGLBSA-N -2 3 394.380 1.439 20 0 GDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000788455550 600774950 /nfs/dbraw/zinc/77/49/50/600774950.db2.gz SITSVRSGOMNMQI-ZDUSSCGKSA-N -2 3 381.381 1.759 20 0 GDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000831083664 600780317 /nfs/dbraw/zinc/78/03/17/600780317.db2.gz ADMLCDKJLSMUGV-MRXNPFEDSA-N -2 3 393.417 1.894 20 0 GDADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000506611328 600892552 /nfs/dbraw/zinc/89/25/52/600892552.db2.gz LSDWSHTZMNWNHZ-UHFFFAOYSA-N -2 3 378.406 1.619 20 0 GDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000738838081 600919614 /nfs/dbraw/zinc/91/96/14/600919614.db2.gz PAAUEUDSGPMWBL-OAHLLOKOSA-N -2 3 386.452 1.936 20 0 GDADHL Cc1oc(S(=O)(=O)[N-][C@@H](CN2CCCC2=O)c2ccccc2)cc1C(=O)[O-] ZINC000833028242 601217262 /nfs/dbraw/zinc/21/72/62/601217262.db2.gz MFXVFJMUMUPRCF-HNNXBMFYSA-N -2 3 392.433 1.928 20 0 GDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2nc(-c3ccncc3)no2)c1F ZINC000833294390 601229557 /nfs/dbraw/zinc/22/95/57/601229557.db2.gz RNNIBZGVSIATJP-UHFFFAOYSA-N -2 3 396.331 1.587 20 0 GDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCN2C(=O)Cc3ccccc32)c1F ZINC000833293737 601234469 /nfs/dbraw/zinc/23/44/69/601234469.db2.gz HCGQISNENJAVNR-UHFFFAOYSA-N -2 3 396.371 1.531 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)c(Cl)cc1Cl ZINC000831343233 601389552 /nfs/dbraw/zinc/38/95/52/601389552.db2.gz IQWLEFBOZLGDFL-NSHDSACASA-N -2 3 382.221 1.922 20 0 GDADHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)c1 ZINC000831243161 601473247 /nfs/dbraw/zinc/47/32/47/601473247.db2.gz VKCZQEOREGTPAE-UHFFFAOYSA-N -2 3 379.394 1.433 20 0 GDADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)n1 ZINC000747616317 601485850 /nfs/dbraw/zinc/48/58/50/601485850.db2.gz FVGLZZSFIZZIOJ-UHFFFAOYSA-N -3 3 390.780 1.590 20 0 GDADHL CC(C)(C)OC(=O)NC(C)(C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000826611735 601582333 /nfs/dbraw/zinc/58/23/33/601582333.db2.gz NJGQSKYHXGRJIQ-UHFFFAOYSA-N -2 3 379.460 1.423 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)ccc1F ZINC000831029536 601624637 /nfs/dbraw/zinc/62/46/37/601624637.db2.gz VGUPQRGAJJGPBA-UHFFFAOYSA-N -2 3 378.381 1.588 20 0 GDADHL CC[C@](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)(C(=O)[O-])c1ccccc1 ZINC000828971392 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ZINC000823589182 655465313 /nfs/dbraw/zinc/46/53/13/655465313.db2.gz RKYZHOIWTWPPRB-UHFFFAOYSA-N -2 3 381.215 1.825 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000826249867 655497342 /nfs/dbraw/zinc/49/73/42/655497342.db2.gz YWHPCWQJBZCDAX-UHFFFAOYSA-N -2 3 378.801 1.342 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000826249867 655497343 /nfs/dbraw/zinc/49/73/43/655497343.db2.gz YWHPCWQJBZCDAX-UHFFFAOYSA-N -2 3 378.801 1.342 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c(Cl)cc1Cl ZINC000848680134 655498942 /nfs/dbraw/zinc/49/89/42/655498942.db2.gz AYIAZBMLHGSQPZ-SECBINFHSA-N -2 3 388.200 1.871 20 0 GDADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)[C@H]2C[C@H]21 ZINC000926605750 656773610 /nfs/dbraw/zinc/77/36/10/656773610.db2.gz WMPYGASQDKKHLJ-LOKLDPHHSA-N -2 3 378.219 1.976 20 0 GDADHL O=C([O-])[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000906001983 659504023 /nfs/dbraw/zinc/50/40/23/659504023.db2.gz UDTBEQZABMHWOA-GXSJLCMTSA-N -2 3 396.234 1.889 20 0 GDADHL O=C([O-])[C@H](C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C1CCCC1 ZINC000663054557 939851707 /nfs/dbraw/zinc/85/17/07/939851707.db2.gz OGLLVHPJFCQVAN-AWEZNQCLSA-N -2 3 390.408 1.250 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)c(C)o1 ZINC000683309874 939870584 /nfs/dbraw/zinc/87/05/84/939870584.db2.gz MGJHLCYWZWIKMC-QGZVFWFLSA-N -2 3 378.406 1.152 20 0 GDADHL COCCOc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1C ZINC000821693949 945826818 /nfs/dbraw/zinc/82/68/18/945826818.db2.gz WGBUGOJFYGMQBS-UHFFFAOYSA-N -2 3 396.454 1.458 20 0 GDADHL CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000824199625 946617887 /nfs/dbraw/zinc/61/78/87/946617887.db2.gz KHVDGVVTMQUBTL-ZDUSSCGKSA-N -2 3 387.412 1.220 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)cc1OC ZINC000826211635 947619003 /nfs/dbraw/zinc/61/90/03/947619003.db2.gz NJXFOYPSXZRGIR-UHFFFAOYSA-N -2 3 375.410 1.993 20 0 GDADHL CC(=O)[C@H]([N-]S(=O)(=O)c1cccnc1-c1nnn[n-]1)c1ccccc1F ZINC001573364934 947726094 /nfs/dbraw/zinc/72/60/94/947726094.db2.gz KGAVQTFKJBFPQL-ZDUSSCGKSA-N -2 3 376.373 1.009 20 0 GDADHL CC(=O)[C@H]([N-]S(=O)(=O)c1cccnc1-c1nn[n-]n1)c1ccccc1F ZINC001573364934 947726099 /nfs/dbraw/zinc/72/60/99/947726099.db2.gz KGAVQTFKJBFPQL-ZDUSSCGKSA-N -2 3 376.373 1.009 20 0 GDADHL Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1-c1nn[n-]n1 ZINC000826299605 947869087 /nfs/dbraw/zinc/86/90/87/947869087.db2.gz MILBITKQRIBQLJ-UHFFFAOYSA-N -2 3 382.405 1.817 20 0 GDADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c1-c1nn[n-]n1 ZINC000826299661 947869267 /nfs/dbraw/zinc/86/92/67/947869267.db2.gz OYJAUIFAKNLUCZ-UHFFFAOYSA-N -2 3 389.441 1.016 20 0 GDADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCOCC[N-]C(=O)C(F)(F)F ZINC000826402133 948225460 /nfs/dbraw/zinc/22/54/60/948225460.db2.gz NNMCRTMIOBKUMW-WAYWQWQTSA-N -2 3 399.329 1.118 20 0 GDADHL O=C(c1cccc(Cl)c1[O-])N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826474050 948373864 /nfs/dbraw/zinc/37/38/64/948373864.db2.gz YRKAHSAINPPQTN-UHFFFAOYSA-N -2 3 385.815 1.583 20 0 GDADHL O=C(c1cccc(Cl)c1[O-])N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826474050 948373872 /nfs/dbraw/zinc/37/38/72/948373872.db2.gz YRKAHSAINPPQTN-UHFFFAOYSA-N -2 3 385.815 1.583 20 0 GDADHL O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3-c3nn[n-]n3)c(F)cc2N1 ZINC000826480463 948393274 /nfs/dbraw/zinc/39/32/74/948393274.db2.gz CJBKKMQOKSITJI-UHFFFAOYSA-N -2 3 388.384 1.691 20 0 GDADHL O=S(=O)([N-]CCc1ccc(CO)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826491378 948404192 /nfs/dbraw/zinc/40/41/92/948404192.db2.gz HAHPOFPNNHQTMS-UHFFFAOYSA-N -2 3 395.391 1.158 20 0 GDADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ncc(Br)cc1[O-] ZINC001292977414 948500021 /nfs/dbraw/zinc/50/00/21/948500021.db2.gz KKIDFPDFANMWGR-UHFFFAOYSA-N -2 3 375.186 1.660 20 0 GDADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ncc(Br)cc1[O-] ZINC001292977414 948500023 /nfs/dbraw/zinc/50/00/23/948500023.db2.gz KKIDFPDFANMWGR-UHFFFAOYSA-N -2 3 375.186 1.660 20 0 GDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)cc1Cl ZINC001602760978 971485052 /nfs/dbraw/zinc/48/50/52/971485052.db2.gz XPFWNZPCGPOPSB-BDAKNGLRSA-N -2 3 378.809 1.969 20 0 GDADHL CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1ncccc1[O-] ZINC001574159775 950319259 /nfs/dbraw/zinc/31/92/59/950319259.db2.gz ITPKFBHPDBSIMQ-LLVKDONJSA-N -2 3 383.416 1.014 20 0 GDADHL CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1ncccc1[O-] ZINC001574159775 950319276 /nfs/dbraw/zinc/31/92/76/950319276.db2.gz ITPKFBHPDBSIMQ-LLVKDONJSA-N -2 3 383.416 1.014 20 0 GDADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001591005517 951035981 /nfs/dbraw/zinc/03/59/81/951035981.db2.gz DJVRYAONNRMYFA-CYBMUJFWSA-N -2 3 381.410 1.307 20 0 GDADHL CCOC(=O)c1nc(-c2cccc(CNC(=O)C3(C(=O)[O-])CC=CC3)c2)n[n-]1 ZINC001591279098 951111942 /nfs/dbraw/zinc/11/19/42/951111942.db2.gz HJJKROPZOABIIW-UHFFFAOYSA-N -2 3 384.392 1.686 20 0 GDADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)C3(C(=O)[O-])CC=CC3)c2)[n-]1 ZINC001591279098 951111952 /nfs/dbraw/zinc/11/19/52/951111952.db2.gz HJJKROPZOABIIW-UHFFFAOYSA-N -2 3 384.392 1.686 20 0 GDADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)NC[C@@H](CC)C(=O)[O-])c2)[n-]1 ZINC001591279337 951116413 /nfs/dbraw/zinc/11/64/13/951116413.db2.gz MKNQQEXAGJWCAE-GFCCVEGCSA-N -2 3 389.412 1.558 20 0 GDADHL CCOC(=O)c1nc(-c2cccc(CNC(=O)NC[C@@H](CC)C(=O)[O-])c2)n[n-]1 ZINC001591279337 951116423 /nfs/dbraw/zinc/11/64/23/951116423.db2.gz MKNQQEXAGJWCAE-GFCCVEGCSA-N -2 3 389.412 1.558 20 0 GDADHL C[C@@H](CNC(=O)c1ncccc1[O-])Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575067430 951611942 /nfs/dbraw/zinc/61/19/42/951611942.db2.gz LXPBSFZMFVUGOH-LURJTMIESA-N -2 3 380.821 1.308 20 0 GDADHL C[C@@H](CNC(=O)c1ncccc1[O-])Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575067430 951611949 /nfs/dbraw/zinc/61/19/49/951611949.db2.gz LXPBSFZMFVUGOH-LURJTMIESA-N -2 3 380.821 1.308 20 0 GDADHL O=C([O-])CN1CCCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C1=O ZINC001595096791 951821798 /nfs/dbraw/zinc/82/17/98/951821798.db2.gz OQCXRAPSWHJBAT-JTQLQIEISA-N -2 3 378.809 1.223 20 0 GDADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H]1COC2(CCCCC2)O1 ZINC001594896120 954567638 /nfs/dbraw/zinc/56/76/38/954567638.db2.gz MJXXYUSADWWDBP-AGIUHOORSA-N -2 3 394.390 1.658 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCCOc2ccccc2C(=O)[O-])c(C)o1 ZINC001593799290 954846396 /nfs/dbraw/zinc/84/63/96/954846396.db2.gz ZGFYHVJZSJONFW-UHFFFAOYSA-N -2 3 383.378 1.430 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC001593811462 954944062 /nfs/dbraw/zinc/94/40/62/954944062.db2.gz OOWADJPXNKCGRF-HOTGVXAUSA-N -2 3 392.433 1.437 20 0 GDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccc1F ZINC000817872993 955377267 /nfs/dbraw/zinc/37/72/67/955377267.db2.gz BFHSCSDNYFLTND-AAEUAGOBSA-N -2 3 386.445 1.695 20 0 GDADHL CC(C)[C@@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000848451052 955737768 /nfs/dbraw/zinc/73/77/68/955737768.db2.gz QENDAAAPSWJYLN-GFCCVEGCSA-N -2 3 388.461 1.989 20 0 GDADHL CC(=O)Nc1cccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852737929 955849721 /nfs/dbraw/zinc/84/97/21/955849721.db2.gz WBMLAQCRAAMXAM-UONOGXRCSA-N -2 3 387.358 1.741 20 0 GDADHL C[C@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589103157 956019899 /nfs/dbraw/zinc/01/98/99/956019899.db2.gz WQNKYVIDGMGOFS-ZDEQEGDKSA-N -2 3 377.445 1.196 20 0 GDADHL O=C([O-])[C@H](CC(=O)OCc1ccccc1)NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001594703957 956830278 /nfs/dbraw/zinc/83/02/78/956830278.db2.gz QQEJJWXOHTUDHC-AWEZNQCLSA-N -2 3 385.376 1.376 20 0 GDADHL COc1cc2[n-]cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)c2c(OC)c1 ZINC001594067329 958145950 /nfs/dbraw/zinc/14/59/50/958145950.db2.gz RASVVNIWMHYVSG-INIZCTEOSA-N -2 3 396.399 1.971 20 0 GDADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001594226434 959430944 /nfs/dbraw/zinc/43/09/44/959430944.db2.gz MQLBPINWEODKCA-CLAHSXSESA-N -2 3 395.264 1.499 20 0 GDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCN2CCOCC2)c(F)cc1Cl ZINC001259212138 960661845 /nfs/dbraw/zinc/66/18/45/960661845.db2.gz HKQQWZHWWDQSQS-UHFFFAOYSA-N -2 3 380.825 1.178 20 0 GDADHL CC(C)(C)OC(=O)NCCCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001588717130 960980207 /nfs/dbraw/zinc/98/02/07/960980207.db2.gz KMRLPHTVXDEATN-MNOVXSKESA-N -2 3 397.394 1.497 20 0 GDADHL CCOC(=O)c1nc(C2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)n[n-]1 ZINC001573905534 961450589 /nfs/dbraw/zinc/45/05/89/961450589.db2.gz LWPBVCCKLFIYSS-NEPJUHHUSA-N -2 3 379.417 1.124 20 0 GDADHL CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)[n-]1 ZINC001573905534 961450601 /nfs/dbraw/zinc/45/06/01/961450601.db2.gz LWPBVCCKLFIYSS-NEPJUHHUSA-N -2 3 379.417 1.124 20 0 GDADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cn(C)nc1Br)CC(=O)[O-] ZINC001588898607 962237990 /nfs/dbraw/zinc/23/79/90/962237990.db2.gz LEFYOLTVKAZHPZ-VIFPVBQESA-N -2 3 382.280 1.598 20 0 GDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 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IILNBNBROOVZJW-GFCCVEGCSA-N -2 3 392.485 1.895 20 0 GDADHL COc1cccc([C@H](CC(=O)[O-])NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821857760 607103302 /nfs/dbraw/zinc/10/33/02/607103302.db2.gz AGNJHFPYVIRVGO-INIZCTEOSA-N -2 3 397.391 1.586 20 0 GDADHL Cc1nc(SCC(=O)N2CC[C@](C)(C(=O)[O-])C2)c(-c2nnn[n-]2)c(C)c1C ZINC000822453664 607110806 /nfs/dbraw/zinc/11/08/06/607110806.db2.gz NIEFGYDICVQHGC-KRWDZBQOSA-N -2 3 390.469 1.602 20 0 GDADHL Cc1nc(SCC(=O)N2CC[C@](C)(C(=O)[O-])C2)c(-c2nn[n-]n2)c(C)c1C ZINC000822453664 607110808 /nfs/dbraw/zinc/11/08/08/607110808.db2.gz NIEFGYDICVQHGC-KRWDZBQOSA-N -2 3 390.469 1.602 20 0 GDADHL O=C([O-])COc1cccc(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823387213 607111109 /nfs/dbraw/zinc/11/11/09/607111109.db2.gz FTEUVXBOGOQTBE-UHFFFAOYSA-N -2 3 383.364 1.025 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnc(Br)cn1 ZINC000822154035 607172161 /nfs/dbraw/zinc/17/21/61/607172161.db2.gz TWFWHJONEDDSMQ-UHFFFAOYSA-N -2 3 396.230 1.528 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnc(Br)cn1 ZINC000822154035 607172162 /nfs/dbraw/zinc/17/21/62/607172162.db2.gz TWFWHJONEDDSMQ-UHFFFAOYSA-N -2 3 396.230 1.528 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CSCCS1 ZINC000826279736 607778655 /nfs/dbraw/zinc/77/86/55/607778655.db2.gz ZVXFYYHZJMJDSH-NSHDSACASA-N -2 3 399.523 1.219 20 0 GDADHL Cc1cc(F)c(S(=O)(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1C(=O)[O-] ZINC000826267956 607809718 /nfs/dbraw/zinc/80/97/18/607809718.db2.gz DNIWJPOSBVJDHV-UHFFFAOYSA-N -2 3 391.384 1.491 20 0 GDADHL Cc1ccc(NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)c(C(=O)[O-])c1 ZINC000826291744 607827827 /nfs/dbraw/zinc/82/78/27/607827827.db2.gz UMAHGOWHHXCUQV-UHFFFAOYSA-N -2 3 391.384 1.954 20 0 GDADHL Cc1ccc(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c(C(=O)[O-])c1 ZINC000826291744 607827828 /nfs/dbraw/zinc/82/78/28/607827828.db2.gz UMAHGOWHHXCUQV-UHFFFAOYSA-N -2 3 391.384 1.954 20 0 GDADHL O=S(=O)([N-]c1cccc(OCC(F)F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826493118 608111340 /nfs/dbraw/zinc/11/13/40/608111340.db2.gz UOQYYYJZIBRUGC-UHFFFAOYSA-N -2 3 382.352 1.706 20 0 GDADHL O=S(=O)([N-]c1cccc(OCC(F)F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826493118 608111341 /nfs/dbraw/zinc/11/13/41/608111341.db2.gz UOQYYYJZIBRUGC-UHFFFAOYSA-N -2 3 382.352 1.706 20 0 GDADHL Cc1ccncc1C=CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826315909 608142756 /nfs/dbraw/zinc/14/27/56/608142756.db2.gz YHUGLMZVHBXQJJ-AATRIKPKSA-N -2 3 384.421 1.397 20 0 GDADHL Cc1ccncc1C=CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826315909 608142757 /nfs/dbraw/zinc/14/27/57/608142757.db2.gz YHUGLMZVHBXQJJ-AATRIKPKSA-N -2 3 384.421 1.397 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](c1ccccc1)C1CC1 ZINC000826450468 608247917 /nfs/dbraw/zinc/24/79/17/608247917.db2.gz NQQRNHHFIGSPEG-MRXNPFEDSA-N -2 3 383.433 1.865 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](c1ccccc1)C1CC1 ZINC000826450468 608247918 /nfs/dbraw/zinc/24/79/18/608247918.db2.gz NQQRNHHFIGSPEG-MRXNPFEDSA-N -2 3 383.433 1.865 20 0 GDADHL CC(C)(CCCO)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824152529 608250577 /nfs/dbraw/zinc/25/05/77/608250577.db2.gz GLMYVEHEYIIPDP-UHFFFAOYSA-N -2 3 375.401 1.222 20 0 GDADHL CCN(CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825394453 608274264 /nfs/dbraw/zinc/27/42/64/608274264.db2.gz DJJUIFCWPYKWKC-UHFFFAOYSA-N -2 3 386.437 1.198 20 0 GDADHL CCN(CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825394453 608274265 /nfs/dbraw/zinc/27/42/65/608274265.db2.gz DJJUIFCWPYKWKC-UHFFFAOYSA-N -2 3 386.437 1.198 20 0 GDADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000826492476 608307714 /nfs/dbraw/zinc/30/77/14/608307714.db2.gz MVHXUZONNGJMKJ-UHFFFAOYSA-N -2 3 375.292 1.289 20 0 GDADHL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1F ZINC000826289404 608316797 /nfs/dbraw/zinc/31/67/97/608316797.db2.gz YRZQJCYCRLWVRO-UHFFFAOYSA-N -2 3 393.375 1.713 20 0 GDADHL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1F ZINC000826289404 608316799 /nfs/dbraw/zinc/31/67/99/608316799.db2.gz YRZQJCYCRLWVRO-UHFFFAOYSA-N -2 3 393.375 1.713 20 0 GDADHL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)cc12 ZINC000826322667 608415450 /nfs/dbraw/zinc/41/54/50/608415450.db2.gz WNJYMDRECJJOSI-UHFFFAOYSA-N -2 3 390.816 1.901 20 0 GDADHL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)cc12 ZINC000826322667 608415451 /nfs/dbraw/zinc/41/54/51/608415451.db2.gz WNJYMDRECJJOSI-UHFFFAOYSA-N -2 3 390.816 1.901 20 0 GDADHL COc1ccc(O)c(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000826210546 608582333 /nfs/dbraw/zinc/58/23/33/608582333.db2.gz VXMRMYMWZDRTRM-UHFFFAOYSA-N -2 3 393.429 1.333 20 0 GDADHL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cn1 ZINC000825565503 608753380 /nfs/dbraw/zinc/75/33/80/608753380.db2.gz TVAWJOIVZIVAMZ-UHFFFAOYSA-N -2 3 388.409 1.548 20 0 GDADHL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cn1 ZINC000825565503 608753384 /nfs/dbraw/zinc/75/33/84/608753384.db2.gz TVAWJOIVZIVAMZ-UHFFFAOYSA-N -2 3 388.409 1.548 20 0 GDADHL CC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825181754 609146989 /nfs/dbraw/zinc/14/69/89/609146989.db2.gz GAJGBKOSIGLVQC-VHSXEESVSA-N -2 3 399.860 1.530 20 0 GDADHL CC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825181754 609146990 /nfs/dbraw/zinc/14/69/90/609146990.db2.gz GAJGBKOSIGLVQC-VHSXEESVSA-N -2 3 399.860 1.530 20 0 GDADHL CN(c1cccc(CCC(=O)[O-])c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826010831 609283418 /nfs/dbraw/zinc/28/34/18/609283418.db2.gz POUQERPVPYWOBW-UHFFFAOYSA-N -2 3 387.421 1.709 20 0 GDADHL CN(c1cccc(CCC(=O)[O-])c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826010831 609283419 /nfs/dbraw/zinc/28/34/19/609283419.db2.gz POUQERPVPYWOBW-UHFFFAOYSA-N -2 3 387.421 1.709 20 0 GDADHL CC[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825184746 609396682 /nfs/dbraw/zinc/39/66/82/609396682.db2.gz YYTSMHCFLCWTDR-AAEUAGOBSA-N -2 3 379.442 1.267 20 0 GDADHL CC[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825184746 609396684 /nfs/dbraw/zinc/39/66/84/609396684.db2.gz YYTSMHCFLCWTDR-AAEUAGOBSA-N -2 3 379.442 1.267 20 0 GDADHL COc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1O ZINC000826217349 609423397 /nfs/dbraw/zinc/42/33/97/609423397.db2.gz IRTWRVBKJXTEPE-UHFFFAOYSA-N -2 3 383.336 1.660 20 0 GDADHL COc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1O ZINC000826217349 609423399 /nfs/dbraw/zinc/42/33/99/609423399.db2.gz IRTWRVBKJXTEPE-UHFFFAOYSA-N -2 3 383.336 1.660 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ncn(-c2ccccc2)n1 ZINC000826256327 609459183 /nfs/dbraw/zinc/45/91/83/609459183.db2.gz DEXJEUJJFWMXAH-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ncn(-c2ccccc2)n1 ZINC000826256327 609459186 /nfs/dbraw/zinc/45/91/86/609459186.db2.gz DEXJEUJJFWMXAH-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(CCS(C)(=O)=O)cc2)c1 ZINC000538298237 650308048 /nfs/dbraw/zinc/30/80/48/650308048.db2.gz KGGVXBVJJRUNFB-UHFFFAOYSA-N -2 3 385.463 1.789 20 0 GDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)[C@@H]1CCOC1 ZINC000542841350 650414004 /nfs/dbraw/zinc/41/40/04/650414004.db2.gz WZWLLVNZOSSKQV-RDDDGLTNSA-N -2 3 382.207 1.356 20 0 GDADHL Cc1nc(S(=O)(=O)[N-]Cc2cnc(C)[n-]c2=O)sc1Br ZINC000544103542 650434846 /nfs/dbraw/zinc/43/48/46/650434846.db2.gz YIFYGVHGOVJZDR-UHFFFAOYSA-N -2 3 379.261 1.497 20 0 GDADHL CCC[C@@H](NC(=O)c1ccc(I)c([O-])c1)c1nnn[n-]1 ZINC000546211822 650474480 /nfs/dbraw/zinc/47/44/80/650474480.db2.gz HNVWFCBGUQPCBT-SECBINFHSA-N -2 3 387.181 1.781 20 0 GDADHL CCC[C@@H](NC(=O)c1ccc(I)c([O-])c1)c1nn[n-]n1 ZINC000546211822 650474482 /nfs/dbraw/zinc/47/44/82/650474482.db2.gz HNVWFCBGUQPCBT-SECBINFHSA-N -2 3 387.181 1.781 20 0 GDADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CC1 ZINC000547576766 650504413 /nfs/dbraw/zinc/50/44/13/650504413.db2.gz RUHHNTLASFLOFJ-LLVKDONJSA-N -2 3 382.207 1.738 20 0 GDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000547638638 650510228 /nfs/dbraw/zinc/51/02/28/650510228.db2.gz VIORXUPJJAKOOE-GFCCVEGCSA-N -2 3 384.435 1.651 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccc(O)cc2)C(=O)[O-])s1 ZINC000547905350 650520824 /nfs/dbraw/zinc/52/08/24/650520824.db2.gz MZDFEWKGNJLDRV-NSHDSACASA-N -2 3 385.419 1.215 20 0 GDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)s1 ZINC000552290846 650622613 /nfs/dbraw/zinc/62/26/13/650622613.db2.gz UYLJQBFJWJJQIS-UHFFFAOYSA-N -2 3 378.439 1.365 20 0 GDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)s1 ZINC000552290846 650622615 /nfs/dbraw/zinc/62/26/15/650622615.db2.gz UYLJQBFJWJJQIS-UHFFFAOYSA-N -2 3 378.439 1.365 20 0 GDADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c(F)cc1Br ZINC000556890201 650714195 /nfs/dbraw/zinc/71/41/95/650714195.db2.gz ZFYBRUKBAPIIJX-MRVPVSSYSA-N -3 3 384.179 1.103 20 0 GDADHL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)cc1OC(F)F ZINC000563815283 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GDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCN(C(=O)[O-])C2CC2)cc1Cl ZINC000738557901 602548442 /nfs/dbraw/zinc/54/84/42/602548442.db2.gz DGUBNHLYAXGXPB-UHFFFAOYSA-N -2 3 393.824 1.858 20 0 GDADHL CN(C[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1)C(=O)[O-] ZINC000739649801 602574978 /nfs/dbraw/zinc/57/49/78/602574978.db2.gz GZDMYAOURQYWRB-HIFRSBDPSA-N -2 3 375.425 1.455 20 0 GDADHL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)c1 ZINC000740342181 602654847 /nfs/dbraw/zinc/65/48/47/602654847.db2.gz HNPPXQQABGNAPO-UHFFFAOYSA-N -2 3 389.386 1.364 20 0 GDADHL COCCS(=O)(=O)[N-]c1cccc(C(=O)OC[C@H]2CCCN2C(=O)[O-])c1 ZINC000739835953 602820546 /nfs/dbraw/zinc/82/05/46/602820546.db2.gz BPESBWCLNXTBLM-CQSZACIVSA-N -2 3 386.426 1.374 20 0 GDADHL COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000739965454 602906057 /nfs/dbraw/zinc/90/60/57/602906057.db2.gz GNJFBFWKQYDFAT-OAHLLOKOSA-N -2 3 382.380 1.500 20 0 GDADHL COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000739965454 602906060 /nfs/dbraw/zinc/90/60/60/602906060.db2.gz GNJFBFWKQYDFAT-OAHLLOKOSA-N -2 3 382.380 1.500 20 0 GDADHL O=C([O-])N1CCc2ccc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)cc2C1 ZINC000740450612 602925529 /nfs/dbraw/zinc/92/55/29/602925529.db2.gz JPUBQPIMPCSFRO-UHFFFAOYSA-N -2 3 387.367 1.822 20 0 GDADHL O=C([O-])NC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CC1 ZINC000740612670 603057234 /nfs/dbraw/zinc/05/72/34/603057234.db2.gz OYMZYLQOOPEWFI-CYBMUJFWSA-N -2 3 385.417 1.042 20 0 GDADHL O=C([O-])N1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000739926341 603301706 /nfs/dbraw/zinc/30/17/06/603301706.db2.gz HNSSWZFPUUNZIW-CQSZACIVSA-N -2 3 376.413 1.002 20 0 GDADHL O=S(=O)([N-]CCCc1ccc(O)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826491029 607640723 /nfs/dbraw/zinc/64/07/23/607640723.db2.gz QVUKPXLLRIKCHV-UHFFFAOYSA-N -2 3 395.391 1.762 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)ccc1F ZINC000828580085 603753350 /nfs/dbraw/zinc/75/33/50/603753350.db2.gz UFYGKEXPRCAKDQ-LLVKDONJSA-N -2 3 387.433 1.196 20 0 GDADHL COc1ccc(S(=O)(=O)NN=c2nc(C)cc(C)[n-]2)c(OC)c1C(=O)[O-] ZINC000833734123 604859415 /nfs/dbraw/zinc/85/94/15/604859415.db2.gz ICATZAFBXMKEAJ-UHFFFAOYSA-N -2 3 382.398 1.114 20 0 GDADHL CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@H]1c1ccc(F)c(F)c1 ZINC000833698265 605029352 /nfs/dbraw/zinc/02/93/52/605029352.db2.gz MGYOSVYQCKGXKK-SWLSCSKDSA-N -2 3 386.376 1.980 20 0 GDADHL CC(C)[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833508421 605044781 /nfs/dbraw/zinc/04/47/81/605044781.db2.gz SBYHOILCQYQXAR-SNVBAGLBSA-N -2 3 384.223 1.582 20 0 GDADHL CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000833648115 605079922 /nfs/dbraw/zinc/07/99/22/605079922.db2.gz GNZNFEULCIOMPD-FZMZJTMJSA-N -2 3 384.454 1.602 20 0 GDADHL CCC(CC)(CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)C(=O)[O-] ZINC000424415704 605097893 /nfs/dbraw/zinc/09/78/93/605097893.db2.gz SZISMWKDDZCULX-UHFFFAOYSA-N -2 3 377.441 1.751 20 0 GDADHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2c(F)cccc2CO)c1 ZINC000833715852 605144247 /nfs/dbraw/zinc/14/42/47/605144247.db2.gz ZDZJIHYIVXTSES-UHFFFAOYSA-N -2 3 383.353 1.604 20 0 GDADHL CC1CCC2(CC1)OC[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])O2 ZINC000833612841 605211413 /nfs/dbraw/zinc/21/14/13/605211413.db2.gz VGTIGRRIDGRFJN-XIRUVYRFSA-N -2 3 376.456 1.441 20 0 GDADHL O=C([O-])N1CCC[C@@H](OCC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)C1 ZINC000831522880 605362278 /nfs/dbraw/zinc/36/22/78/605362278.db2.gz DQBNUDBFXVYVRL-SECBINFHSA-N -2 3 381.339 1.847 20 0 GDADHL O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(I)ccc1[O-] ZINC000834054080 605540187 /nfs/dbraw/zinc/54/01/87/605540187.db2.gz ZRWOAHLQVCBFAH-VXNVDRBHSA-N -2 3 392.149 1.049 20 0 GDADHL C[C@@H](CNC(=O)[O-])CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000833805317 605812958 /nfs/dbraw/zinc/81/29/58/605812958.db2.gz CBCIPCVCRDITAC-SNVBAGLBSA-N -2 3 389.449 1.536 20 0 GDADHL O=C([O-])N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000834031015 605847093 /nfs/dbraw/zinc/84/70/93/605847093.db2.gz RZJIGPPTVVNJBK-WFASDCNBSA-N -2 3 391.424 1.209 20 0 GDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000821342449 606337532 /nfs/dbraw/zinc/33/75/32/606337532.db2.gz CJDXKDVWPBRGNL-UHFFFAOYSA-N -2 3 389.393 1.550 20 0 GDADHL O=c1ccc2cc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3O)ccc2o1 ZINC000823665396 606338134 /nfs/dbraw/zinc/33/81/34/606338134.db2.gz JFBGTVCXHPSCLD-UHFFFAOYSA-N -2 3 385.361 1.480 20 0 GDADHL COC(=O)[C@H](OC(=O)c1c(F)cc([O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000821648852 606378498 /nfs/dbraw/zinc/37/84/98/606378498.db2.gz VHYMFAOHBDJDIE-CQSZACIVSA-N -2 3 390.302 1.922 20 0 GDADHL Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cnc2ccccc12 ZINC000822021067 606395781 /nfs/dbraw/zinc/39/57/81/606395781.db2.gz UOACBRNJOHXAEZ-UHFFFAOYSA-N -2 3 394.416 1.842 20 0 GDADHL Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cnc2ccccc12 ZINC000822021067 606395783 /nfs/dbraw/zinc/39/57/83/606395783.db2.gz UOACBRNJOHXAEZ-UHFFFAOYSA-N -2 3 394.416 1.842 20 0 GDADHL COc1cccc(C(C)=CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821858830 606405902 /nfs/dbraw/zinc/40/59/02/606405902.db2.gz HBSSUOPKMWWIPK-FMIVXFBMSA-N -2 3 399.432 1.784 20 0 GDADHL COc1cccc(C(C)=CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821858830 606405904 /nfs/dbraw/zinc/40/59/04/606405904.db2.gz HBSSUOPKMWWIPK-FMIVXFBMSA-N -2 3 399.432 1.784 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)c[n-]1 ZINC000821668719 606792733 /nfs/dbraw/zinc/79/27/33/606792733.db2.gz FUZXBKFHPBZPCX-UHFFFAOYSA-N -2 3 383.773 1.403 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)c[n-]1 ZINC000821668719 606792735 /nfs/dbraw/zinc/79/27/35/606792735.db2.gz FUZXBKFHPBZPCX-UHFFFAOYSA-N -2 3 383.773 1.403 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(Cl)c1 ZINC000823284334 606839663 /nfs/dbraw/zinc/83/96/63/606839663.db2.gz DSCAPDWBWPFGOO-UHFFFAOYSA-N -2 3 395.803 1.919 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(Cl)c1 ZINC000823284334 606839664 /nfs/dbraw/zinc/83/96/64/606839664.db2.gz DSCAPDWBWPFGOO-UHFFFAOYSA-N -2 3 395.803 1.919 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000821644589 606848578 /nfs/dbraw/zinc/84/85/78/606848578.db2.gz DHLQNDDDVFFKIU-AWEZNQCLSA-N -2 3 391.384 1.198 20 0 GDADHL COc1ncccc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821920238 606884735 /nfs/dbraw/zinc/88/47/35/606884735.db2.gz OMPCGHITINOUHA-UHFFFAOYSA-N -2 3 382.352 1.027 20 0 GDADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000821417614 607000826 /nfs/dbraw/zinc/00/08/26/607000826.db2.gz PSHOUCUMSYCPGJ-UHFFFAOYSA-N -2 3 383.821 1.453 20 0 GDADHL CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000821343612 607026138 /nfs/dbraw/zinc/02/61/38/607026138.db2.gz QGUQZJSBWIGQJM-UHFFFAOYSA-N -2 3 380.411 1.301 20 0 GDADHL O=C1CCCc2cc(S(=O)(=O)[N-]c3ncc(-c4nnn[n-]4)s3)ccc2N1 ZINC000823530993 607026267 /nfs/dbraw/zinc/02/62/67/607026267.db2.gz WVFJXQBZNTTXOL-UHFFFAOYSA-N -2 3 391.438 1.399 20 0 GDADHL CC(C)CCS(=O)(=O)[N-]C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820076935 607089317 /nfs/dbraw/zinc/08/93/17/607089317.db2.gz WMDOGMFQMFDKTN-UHFFFAOYSA-N -2 3 381.458 1.516 20 0 GDADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000821700571 607110424 /nfs/dbraw/zinc/11/04/24/607110424.db2.gz RZFPRXRIGNXOPN-GFCCVEGCSA-N -2 3 377.401 1.117 20 0 GDADHL O=S(=O)([N-][C@@H]1CCOC2(CCCC2)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573507 607144608 /nfs/dbraw/zinc/14/46/08/607144608.db2.gz VMKWRDDMDIBXMW-LLVKDONJSA-N -2 3 399.423 1.915 20 0 GDADHL CC1(C)c2cc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)ccc2NC1=O ZINC000820583838 607152076 /nfs/dbraw/zinc/15/20/76/607152076.db2.gz FZBJEAROGOSCKH-UHFFFAOYSA-N -2 3 385.409 1.292 20 0 GDADHL COC(=O)c1cncc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000821671247 607223850 /nfs/dbraw/zinc/22/38/50/607223850.db2.gz OFWDUVJGFLMLOI-UHFFFAOYSA-N -2 3 394.800 1.503 20 0 GDADHL COC(=O)c1cncc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000821671247 607223851 /nfs/dbraw/zinc/22/38/51/607223851.db2.gz OFWDUVJGFLMLOI-UHFFFAOYSA-N -2 3 394.800 1.503 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450228 607778216 /nfs/dbraw/zinc/77/82/16/607778216.db2.gz BVMQMPZRNNFHAA-UHFFFAOYSA-N -2 3 394.416 1.981 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450228 607778217 /nfs/dbraw/zinc/77/82/17/607778217.db2.gz BVMQMPZRNNFHAA-UHFFFAOYSA-N -2 3 394.416 1.981 20 0 GDADHL CC(C)(C)SCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824124184 607836357 /nfs/dbraw/zinc/83/63/57/607836357.db2.gz PLGWGADHUWEHSL-UHFFFAOYSA-N -2 3 383.499 1.984 20 0 GDADHL CC(C)(C)SCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824124184 607836358 /nfs/dbraw/zinc/83/63/58/607836358.db2.gz PLGWGADHUWEHSL-UHFFFAOYSA-N -2 3 383.499 1.984 20 0 GDADHL Cc1ccc2oc(C(=O)[N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)cc2n1 ZINC000826295469 607985785 /nfs/dbraw/zinc/98/57/85/607985785.db2.gz IQBITOMWTMNPGH-UHFFFAOYSA-N -2 3 384.377 1.435 20 0 GDADHL Cc1ccc2oc(C(=O)[N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)cc2n1 ZINC000826295469 607985786 /nfs/dbraw/zinc/98/57/86/607985786.db2.gz IQBITOMWTMNPGH-UHFFFAOYSA-N -2 3 384.377 1.435 20 0 GDADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000826461146 608011472 /nfs/dbraw/zinc/01/14/72/608011472.db2.gz HXIKRKFBNIOSEA-SECBINFHSA-N -2 3 385.833 1.396 20 0 GDADHL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000826461146 608011473 /nfs/dbraw/zinc/01/14/73/608011473.db2.gz HXIKRKFBNIOSEA-SECBINFHSA-N -2 3 385.833 1.396 20 0 GDADHL O=S(=O)([N-]c1ccc(Oc2cccnc2)nc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493169 608018513 /nfs/dbraw/zinc/01/85/13/608018513.db2.gz WUMWPAVGDBFCDC-UHFFFAOYSA-N -2 3 396.392 1.645 20 0 GDADHL CC=C(C)C(=O)[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000825028166 608040205 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381.320 1.644 20 0 GDADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000738215358 598841932 /nfs/dbraw/zinc/84/19/32/598841932.db2.gz QKMHNVJKGSVYEE-UHFFFAOYSA-N -3 3 381.320 1.644 20 0 GDADHL C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737175013 598844946 /nfs/dbraw/zinc/84/49/46/598844946.db2.gz ZHLCGSNCTNRVPD-VWLOTQADSA-N -2 3 395.441 1.685 20 0 GDADHL C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737175013 598844948 /nfs/dbraw/zinc/84/49/48/598844948.db2.gz ZHLCGSNCTNRVPD-VWLOTQADSA-N -2 3 395.441 1.685 20 0 GDADHL O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738139058 598859392 /nfs/dbraw/zinc/85/93/92/598859392.db2.gz JZEQLPHVSOLPOC-LBPRGKRZSA-N -2 3 399.432 1.382 20 0 GDADHL O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738139058 598859394 /nfs/dbraw/zinc/85/93/94/598859394.db2.gz JZEQLPHVSOLPOC-LBPRGKRZSA-N -2 3 399.432 1.382 20 0 GDADHL CS[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737169557 598909923 /nfs/dbraw/zinc/90/99/23/598909923.db2.gz ARSWJCSCXHRVAT-CQSZACIVSA-N -2 3 389.462 1.776 20 0 GDADHL CS[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737169557 598909924 /nfs/dbraw/zinc/90/99/24/598909924.db2.gz ARSWJCSCXHRVAT-CQSZACIVSA-N -2 3 389.462 1.776 20 0 GDADHL COC(=O)Cc1csc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000736931128 598968625 /nfs/dbraw/zinc/96/86/25/598968625.db2.gz QCNGCJRVMUDDTB-UHFFFAOYSA-N -2 3 394.438 1.148 20 0 GDADHL COC(=O)Cc1csc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000736931128 598968627 /nfs/dbraw/zinc/96/86/27/598968627.db2.gz QCNGCJRVMUDDTB-UHFFFAOYSA-N -2 3 394.438 1.148 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccsc1 ZINC000737299027 598976102 /nfs/dbraw/zinc/97/61/02/598976102.db2.gz OQTJHLCGOILZJZ-HWKANZROSA-N -2 3 375.435 1.755 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccsc1 ZINC000737299027 598976104 /nfs/dbraw/zinc/97/61/04/598976104.db2.gz OQTJHLCGOILZJZ-HWKANZROSA-N -2 3 375.435 1.755 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc21 ZINC000737298787 598976153 /nfs/dbraw/zinc/97/61/53/598976153.db2.gz LPKNDTSDRSDXCI-ZDUSSCGKSA-N -2 3 385.405 1.156 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1COc2ccccc21 ZINC000737298787 598976155 /nfs/dbraw/zinc/97/61/55/598976155.db2.gz LPKNDTSDRSDXCI-ZDUSSCGKSA-N -2 3 385.405 1.156 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cc1ccc(Cl)cc1 ZINC000737298862 598976227 /nfs/dbraw/zinc/97/62/27/598976227.db2.gz MCCAORPPDHRUNA-UHFFFAOYSA-N -2 3 391.840 1.876 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cc1ccc(Cl)cc1 ZINC000737298862 598976228 /nfs/dbraw/zinc/97/62/28/598976228.db2.gz MCCAORPPDHRUNA-UHFFFAOYSA-N -2 3 391.840 1.876 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccnc1-n1cccn1 ZINC000737224830 599029347 /nfs/dbraw/zinc/02/93/47/599029347.db2.gz HUUKEIQOQFKDMV-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccnc1-n1cccn1 ZINC000737224830 599029349 /nfs/dbraw/zinc/02/93/49/599029349.db2.gz HUUKEIQOQFKDMV-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])ccc1OCC(=O)[O-] ZINC000818853100 597315791 /nfs/dbraw/zinc/31/57/91/597315791.db2.gz DTRAMZNVTPBHQY-UHFFFAOYSA-N -3 3 379.390 1.886 20 0 GDADHL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1O ZINC000736947997 599262545 /nfs/dbraw/zinc/26/25/45/599262545.db2.gz IZVOYKZABNSVRS-UHFFFAOYSA-N -2 3 389.393 1.468 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1OCC1CC1 ZINC000738138585 598307775 /nfs/dbraw/zinc/30/77/75/598307775.db2.gz GGYLSCBKUFKHLC-UHFFFAOYSA-N -2 3 399.432 1.774 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1OCC1CC1 ZINC000738138585 598307776 /nfs/dbraw/zinc/30/77/76/598307776.db2.gz GGYLSCBKUFKHLC-UHFFFAOYSA-N -2 3 399.432 1.774 20 0 GDADHL O=C([O-])COc1ccccc1C=C1N=C(c2ccc(-c3nnn[n-]3)cc2)OC1=O ZINC000738206686 598378829 /nfs/dbraw/zinc/37/88/29/598378829.db2.gz GKWQZDBYOZGARE-NTEUORMPSA-N -2 3 391.343 1.675 20 0 GDADHL O=C([O-])COc1ccccc1C=C1N=C(c2ccc(-c3nn[n-]n3)cc2)OC1=O ZINC000738206686 598378830 /nfs/dbraw/zinc/37/88/30/598378830.db2.gz GKWQZDBYOZGARE-NTEUORMPSA-N -2 3 391.343 1.675 20 0 GDADHL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736722750 598673756 /nfs/dbraw/zinc/67/37/56/598673756.db2.gz SBMANSXPCPRPBW-UHFFFAOYSA-N -2 3 396.436 1.946 20 0 GDADHL O=C1CCC(=O)N1c1ccccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738301644 598675806 /nfs/dbraw/zinc/67/58/06/598675806.db2.gz QJZKXEROGVYNHK-UHFFFAOYSA-N -2 3 398.404 1.321 20 0 GDADHL O=C(C[C@H]1CCc2ccccc2C1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737822145 598750879 /nfs/dbraw/zinc/75/08/79/598750879.db2.gz XDJSBQNTHBILQY-ZDUSSCGKSA-N -2 3 397.460 1.867 20 0 GDADHL O=C(C[C@H]1CCc2ccccc2C1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737822145 598750880 /nfs/dbraw/zinc/75/08/80/598750880.db2.gz XDJSBQNTHBILQY-ZDUSSCGKSA-N -2 3 397.460 1.867 20 0 GDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736424801 598785233 /nfs/dbraw/zinc/78/52/33/598785233.db2.gz STSGLUIUGWNLGG-LBPRGKRZSA-N -2 3 397.526 1.982 20 0 GDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736424801 598785234 /nfs/dbraw/zinc/78/52/34/598785234.db2.gz STSGLUIUGWNLGG-LBPRGKRZSA-N -2 3 397.526 1.982 20 0 GDADHL O=S(=O)([N-]c1cnn(CC2CC2)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823588911 599308355 /nfs/dbraw/zinc/30/83/55/599308355.db2.gz FHINDSAOQJKINS-UHFFFAOYSA-N -2 3 379.833 1.927 20 0 GDADHL O=S(=O)([N-]c1cnn(CC2CC2)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823588911 599308358 /nfs/dbraw/zinc/30/83/58/599308358.db2.gz FHINDSAOQJKINS-UHFFFAOYSA-N -2 3 379.833 1.927 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1OC1CCC1 ZINC000738138653 599339160 /nfs/dbraw/zinc/33/91/60/599339160.db2.gz HMJHIQGULVPHMA-UHFFFAOYSA-N -2 3 399.432 1.917 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1OC1CCC1 ZINC000738138653 599339163 /nfs/dbraw/zinc/33/91/63/599339163.db2.gz HMJHIQGULVPHMA-UHFFFAOYSA-N -2 3 399.432 1.917 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccsc1 ZINC000735552701 599616867 /nfs/dbraw/zinc/61/68/67/599616867.db2.gz YOADRWQVIACTQZ-SNVBAGLBSA-N -2 3 377.451 1.678 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccsc1 ZINC000735552701 599616868 /nfs/dbraw/zinc/61/68/68/599616868.db2.gz YOADRWQVIACTQZ-SNVBAGLBSA-N -2 3 377.451 1.678 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccsc1 ZINC000735550972 599616920 /nfs/dbraw/zinc/61/69/20/599616920.db2.gz NZWGPDWWSIKAAD-JTQLQIEISA-N -2 3 377.451 1.678 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccsc1 ZINC000735550972 599616921 /nfs/dbraw/zinc/61/69/21/599616921.db2.gz NZWGPDWWSIKAAD-JTQLQIEISA-N -2 3 377.451 1.678 20 0 GDADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000822929479 599627424 /nfs/dbraw/zinc/62/74/24/599627424.db2.gz VAEOZVGQMMOTIP-ZHACJKMWSA-N -2 3 399.432 1.405 20 0 GDADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000822929479 599627425 /nfs/dbraw/zinc/62/74/25/599627425.db2.gz VAEOZVGQMMOTIP-ZHACJKMWSA-N -2 3 399.432 1.405 20 0 GDADHL Cc1ccc(-n2[n-]c(C(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)cc2=O)cc1 ZINC000822224122 599696905 /nfs/dbraw/zinc/69/69/05/599696905.db2.gz WWELYPAOVFZERR-UHFFFAOYSA-N -2 3 389.419 1.926 20 0 GDADHL Cc1ccc(-n2[n-]c(C(=O)N(C)Cc3cccc(-c4nn[n-]n4)c3)cc2=O)cc1 ZINC000822224122 599696906 /nfs/dbraw/zinc/69/69/06/599696906.db2.gz WWELYPAOVFZERR-UHFFFAOYSA-N -2 3 389.419 1.926 20 0 GDADHL CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(C)(C)C(=O)[O-] ZINC000485386026 599847815 /nfs/dbraw/zinc/84/78/15/599847815.db2.gz LTVQJAWWUDDCSE-UHFFFAOYSA-N -2 3 383.401 1.890 20 0 GDADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000477405708 599908151 /nfs/dbraw/zinc/90/81/51/599908151.db2.gz MCQKJZMQKGTJMA-UHFFFAOYSA-N -2 3 378.406 1.619 20 0 GDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)ccc1F ZINC000736477069 599918627 /nfs/dbraw/zinc/91/86/27/599918627.db2.gz BYWQQGOSCWDDAJ-NSHDSACASA-N -2 3 386.445 1.838 20 0 GDADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)n1 ZINC000738939506 599939949 /nfs/dbraw/zinc/93/99/49/599939949.db2.gz BXHYSHJSAQQZCY-LURJTMIESA-N -2 3 390.215 1.878 20 0 GDADHL CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000738175235 600096415 /nfs/dbraw/zinc/09/64/15/600096415.db2.gz IZMNTEHCMKQTBU-UHFFFAOYSA-N -2 3 391.373 1.867 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c(C(=O)[O-])[nH]1 ZINC000738463868 600255548 /nfs/dbraw/zinc/25/55/48/600255548.db2.gz YVWNKJPDMOODRY-UHFFFAOYSA-N -3 3 391.402 1.333 20 0 GDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC(=O)Nc2cccnc2)c(F)cc1F ZINC000739248163 600424875 /nfs/dbraw/zinc/42/48/75/600424875.db2.gz AYGYKOQDFLSRFG-UHFFFAOYSA-N -2 3 385.348 1.365 20 0 GDADHL 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391.384 1.500 20 0 GDADHL Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824858319 608047237 /nfs/dbraw/zinc/04/72/37/608047237.db2.gz IWXORILWQYLJEB-MRXNPFEDSA-N -2 3 375.392 1.840 20 0 GDADHL Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824858319 608047238 /nfs/dbraw/zinc/04/72/38/608047238.db2.gz IWXORILWQYLJEB-MRXNPFEDSA-N -2 3 375.392 1.840 20 0 GDADHL CC(C)OCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824309470 608141562 /nfs/dbraw/zinc/14/15/62/608141562.db2.gz PWMMCUOUORPAHE-UHFFFAOYSA-N -2 3 387.849 1.530 20 0 GDADHL CC(C)OCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824309470 608141563 /nfs/dbraw/zinc/14/15/63/608141563.db2.gz PWMMCUOUORPAHE-UHFFFAOYSA-N -2 3 387.849 1.530 20 0 GDADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cc(F)ccc1Br ZINC000826492466 608308092 /nfs/dbraw/zinc/30/80/92/608308092.db2.gz MKRQVTIFULPRLM-UHFFFAOYSA-N -2 3 388.182 1.292 20 0 GDADHL O=C([N-]OC1CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826449826 608474107 /nfs/dbraw/zinc/47/41/07/608474107.db2.gz LCTAAOOJPZMDAX-UHFFFAOYSA-N -2 3 382.327 1.397 20 0 GDADHL O=C([N-]OC1CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826449826 608474109 /nfs/dbraw/zinc/47/41/09/608474109.db2.gz LCTAAOOJPZMDAX-UHFFFAOYSA-N -2 3 382.327 1.397 20 0 GDADHL CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1(C)C ZINC000826144815 608590571 /nfs/dbraw/zinc/59/05/71/608590571.db2.gz SUVYBRGHYBHLAI-WCDAPOTHSA-N -2 3 387.412 1.483 20 0 GDADHL O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)c1ncccc1[O-] ZINC000826430052 608604147 /nfs/dbraw/zinc/60/41/47/608604147.db2.gz SGIRWJCOZMQGNN-UHFFFAOYSA-N -2 3 381.396 1.482 20 0 GDADHL O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)c1ncccc1[O-] ZINC000826430052 608604149 /nfs/dbraw/zinc/60/41/49/608604149.db2.gz SGIRWJCOZMQGNN-UHFFFAOYSA-N -2 3 381.396 1.482 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)n1 ZINC000826449818 609139916 /nfs/dbraw/zinc/13/99/16/609139916.db2.gz KTYCRVVABLHBKT-UHFFFAOYSA-N -2 3 378.801 1.175 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)n1 ZINC000826449818 609139918 /nfs/dbraw/zinc/13/99/18/609139918.db2.gz KTYCRVVABLHBKT-UHFFFAOYSA-N -2 3 378.801 1.175 20 0 GDADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000825879196 609263687 /nfs/dbraw/zinc/26/36/87/609263687.db2.gz JFNJZTCYVSZTSE-UHFFFAOYSA-N -2 3 379.833 1.782 20 0 GDADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000825879196 609263689 /nfs/dbraw/zinc/26/36/89/609263689.db2.gz JFNJZTCYVSZTSE-UHFFFAOYSA-N -2 3 379.833 1.782 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cnn(CC(C)C)c1 ZINC000826279350 609404947 /nfs/dbraw/zinc/40/49/47/609404947.db2.gz NWPWMXHKWRCNQP-UHFFFAOYSA-N -2 3 389.441 1.146 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cnn(CC(C)C)c1 ZINC000826279350 609404949 /nfs/dbraw/zinc/40/49/49/609404949.db2.gz NWPWMXHKWRCNQP-UHFFFAOYSA-N -2 3 389.441 1.146 20 0 GDADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000826162858 609469446 /nfs/dbraw/zinc/46/94/46/609469446.db2.gz VILFHQNLAVHODG-UHFFFAOYSA-N -2 3 393.400 1.832 20 0 GDADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c(C)n[nH]c1C ZINC000826162834 609469581 /nfs/dbraw/zinc/46/95/81/609469581.db2.gz ULCJPGACIKSLQP-UHFFFAOYSA-N -2 3 393.429 1.033 20 0 GDADHL NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826394101 609531353 /nfs/dbraw/zinc/53/13/53/609531353.db2.gz WWCWKNKMHNYYAQ-UHFFFAOYSA-N -2 3 384.830 1.481 20 0 GDADHL NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826394101 609531356 /nfs/dbraw/zinc/53/13/56/609531356.db2.gz WWCWKNKMHNYYAQ-UHFFFAOYSA-N -2 3 384.830 1.481 20 0 GDADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547554711 650501830 /nfs/dbraw/zinc/50/18/30/650501830.db2.gz QOGOQXCYPCRYJY-KCJUWKMLSA-N -2 3 396.234 1.746 20 0 GDADHL Cn1cc(C[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C(=O)[O-])cn1 ZINC000547577741 650504495 /nfs/dbraw/zinc/50/44/95/650504495.db2.gz 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CS(=O)(=O)[N-]c1cncc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000503535329 648190176 /nfs/dbraw/zinc/19/01/76/648190176.db2.gz IHQQDEOZHXYNPT-UHFFFAOYSA-N -2 3 375.435 1.646 20 0 GDADHL CCOC[C@H](C)CS(=O)(=O)[N-]c1cc(S(=O)(=O)CC)ccc1C(=O)[O-] ZINC000574760502 651566532 /nfs/dbraw/zinc/56/65/32/651566532.db2.gz VEDAORFXDOGPQD-NSHDSACASA-N -2 3 393.483 1.593 20 0 GDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000580441119 651916846 /nfs/dbraw/zinc/91/68/46/651916846.db2.gz FLMOJFZFBGDMAT-MRVPVSSYSA-N -2 3 389.405 1.677 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)s1 ZINC000593944289 652264078 /nfs/dbraw/zinc/26/40/78/652264078.db2.gz HYXFMSQTEAGBEG-LPEHRKFASA-N -2 3 375.468 1.948 20 0 GDADHL O=C([O-])Cc1cc(Br)cc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000634797310 653500492 /nfs/dbraw/zinc/50/04/92/653500492.db2.gz ZPARURURKNDHSR-GFCCVEGCSA-N -2 3 378.244 1.997 20 0 GDADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000772758960 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382.295 1.069 20 0 GDADHL O=C([O-])[C@@H]1CCCCN1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000780695613 654791179 /nfs/dbraw/zinc/79/11/79/654791179.db2.gz UXAHQYFEVYEQHH-VIFPVBQESA-N -2 3 395.890 1.329 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)Cc2ccsc2)cc1F ZINC000784899674 654900888 /nfs/dbraw/zinc/90/08/88/654900888.db2.gz VKPOAXMCUHAENJ-UHFFFAOYSA-N -2 3 392.455 1.306 20 0 GDADHL O=C1OCc2ccc(S(=O)(=O)[N-]N=c3c(F)c(F)[n-]c(F)c3F)cc21 ZINC000729662011 654913845 /nfs/dbraw/zinc/91/38/45/654913845.db2.gz GJSOUZNYAVJIQA-UHFFFAOYSA-N -2 3 377.275 1.614 20 0 GDADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-] ZINC000794915556 655156271 /nfs/dbraw/zinc/15/62/71/655156271.db2.gz WTVQTBNURNMZST-VIFPVBQESA-N -2 3 378.834 1.547 20 0 GDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)[C@@H]1CCOC1 ZINC000837286824 655173796 /nfs/dbraw/zinc/17/37/96/655173796.db2.gz NTYHVZWLTZNSBL-HZGVNTEJSA-N -2 3 399.650 1.266 20 0 GDADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C1CCOCC1 ZINC000837288784 655174476 /nfs/dbraw/zinc/17/44/76/655174476.db2.gz QJICEEDBCKXFSH-JTQLQIEISA-N -2 3 389.817 1.424 20 0 GDADHL O=C([O-])c1ccc(N2CCC([N-]S(=O)(=O)c3c[nH]nc3Cl)CC2)nc1 ZINC000837290724 655174986 /nfs/dbraw/zinc/17/49/86/655174986.db2.gz APNNCIYFGHRXPL-UHFFFAOYSA-N -2 3 385.833 1.104 20 0 GDADHL C[C@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)[C@H](C)C(=O)[O-] ZINC000837292615 655176065 /nfs/dbraw/zinc/17/60/65/655176065.db2.gz NPXMPKAXZBFCCW-WDSKDSINSA-N -2 3 375.877 1.193 20 0 GDADHL COCC1(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000843288973 655390951 /nfs/dbraw/zinc/39/09/51/655390951.db2.gz RUEUQGRDPDGWFU-UHFFFAOYSA-N -2 3 382.232 1.835 20 0 GDADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)[C@H]1OC ZINC000844896307 655419901 /nfs/dbraw/zinc/41/99/01/655419901.db2.gz DQHCXILBDSKGHS-BRDIYROLSA-N -2 3 398.231 1.211 20 0 GDADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cnc(Cl)c(Cl)c1 ZINC000823589217 655465479 /nfs/dbraw/zinc/46/54/79/655465479.db2.gz 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388.751 1.356 20 0 GDADHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2nc(C(=O)[O-])cs2)cc1C ZINC000327193764 532080989 /nfs/dbraw/zinc/08/09/89/532080989.db2.gz BPOYKABZAOKLOZ-UHFFFAOYSA-N -2 3 385.423 1.887 20 0 GDADHL C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@@H]1C(=O)[O-] ZINC000424374767 532088738 /nfs/dbraw/zinc/08/87/38/532088738.db2.gz ZOHXINVYMPFOFN-UFBFGSQYSA-N -2 3 385.833 1.394 20 0 GDADHL C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@@H]1C(=O)[O-] ZINC000424374767 532088740 /nfs/dbraw/zinc/08/87/40/532088740.db2.gz ZOHXINVYMPFOFN-UFBFGSQYSA-N -2 3 385.833 1.394 20 0 GDADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCN2CCOCC2)c1 ZINC000273711344 532166103 /nfs/dbraw/zinc/16/61/03/532166103.db2.gz GGJUCZZBDOPUCM-UHFFFAOYSA-N -2 3 383.253 1.302 20 0 GDADHL C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000273723679 532166854 /nfs/dbraw/zinc/16/68/54/532166854.db2.gz MRTNNSLSBFRRPY-AMIZOPFISA-N -2 3 376.837 1.938 20 0 GDADHL C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000273723684 532167336 /nfs/dbraw/zinc/16/73/36/532167336.db2.gz MRTNNSLSBFRRPY-OQPBUACISA-N -2 3 376.837 1.938 20 0 GDADHL CC(C)NC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000273761627 532169402 /nfs/dbraw/zinc/16/94/02/532169402.db2.gz PBEBENCWEQZLAQ-UHFFFAOYSA-N -2 3 397.222 1.089 20 0 GDADHL CN1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)CCC1=O ZINC000273656741 532162862 /nfs/dbraw/zinc/16/28/62/532162862.db2.gz HHVYSOQFGFEIRT-ZETCQYMHSA-N -2 3 381.237 1.591 20 0 GDADHL C[C@](CO)(C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)CC(=O)[O-] ZINC000287129366 532197710 /nfs/dbraw/zinc/19/77/10/532197710.db2.gz BWBOOALOFIXMPU-GFCCVEGCSA-N -2 3 389.323 1.476 20 0 GDADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCOC1 ZINC000376738434 532227032 /nfs/dbraw/zinc/22/70/32/532227032.db2.gz FCJQNCKUKORACP-LLVKDONJSA-N -2 3 384.635 1.625 20 0 GDADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@H](CCSC)C(=O)[O-])c1 ZINC000274921719 532242550 /nfs/dbraw/zinc/24/25/50/532242550.db2.gz NBTMYFOUBNDPGB-SNVBAGLBSA-N -2 3 398.300 1.942 20 0 GDADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)CC(=O)[O-] ZINC000274947583 532245323 /nfs/dbraw/zinc/24/53/23/532245323.db2.gz HNEQPOHNSUUIRI-JTQLQIEISA-N -2 3 395.474 1.645 20 0 GDADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000274963820 532247874 /nfs/dbraw/zinc/24/78/74/532247874.db2.gz HYBNTKLFJPHQCB-SNVBAGLBSA-N -2 3 394.243 1.558 20 0 GDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000274986159 532249866 /nfs/dbraw/zinc/24/98/66/532249866.db2.gz MESMGVHUWHLBAP-SECBINFHSA-N -2 3 393.483 1.959 20 0 GDADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000275028597 532254770 /nfs/dbraw/zinc/25/47/70/532254770.db2.gz SZFSCZSOHQJPSY-GFCCVEGCSA-N -2 3 390.527 1.842 20 0 GDADHL Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000275132256 532268573 /nfs/dbraw/zinc/26/85/73/532268573.db2.gz VMNVIWJOJYREKK-ZDUSSCGKSA-N -2 3 375.809 1.934 20 0 GDADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000275189965 532274844 /nfs/dbraw/zinc/27/48/44/532274844.db2.gz MDCPOQAJDHWVFJ-VIFPVBQESA-N -2 3 381.447 1.397 20 0 GDADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nnc(C(C)C)o2)cc1F ZINC000275459759 532296496 /nfs/dbraw/zinc/29/64/96/532296496.db2.gz HLDOLPACHUPHAW-UHFFFAOYSA-N -2 3 392.434 1.895 20 0 GDADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000735481282 598840852 /nfs/dbraw/zinc/84/08/52/598840852.db2.gz IDKJVADMAFAXEZ-UHFFFAOYSA-N -2 3 394.363 1.904 20 0 GDADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000735481282 598840853 /nfs/dbraw/zinc/84/08/53/598840853.db2.gz IDKJVADMAFAXEZ-UHFFFAOYSA-N -2 3 394.363 1.904 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(OC)n1 ZINC000737106222 598844150 /nfs/dbraw/zinc/84/41/50/598844150.db2.gz PWDVDTNFEGJACB-UHFFFAOYSA-N -2 3 380.361 1.219 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(OC)n1 ZINC000737106222 598844151 /nfs/dbraw/zinc/84/41/51/598844151.db2.gz PWDVDTNFEGJACB-UHFFFAOYSA-N -2 3 380.361 1.219 20 0 GDADHL O=S(=O)([N-]c1nc2c(s1)COCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000738339321 598911880 /nfs/dbraw/zinc/91/18/80/598911880.db2.gz LQTHAUNQBOCIBN-UHFFFAOYSA-N -2 3 382.402 1.336 20 0 GDADHL O=S(=O)([N-]c1nc2c(s1)COCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000738339321 598911881 /nfs/dbraw/zinc/91/18/81/598911881.db2.gz LQTHAUNQBOCIBN-UHFFFAOYSA-N -2 3 382.402 1.336 20 0 GDADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1C ZINC000821337753 607255581 /nfs/dbraw/zinc/25/55/81/607255581.db2.gz MZKACDVPCLKNKP-UHFFFAOYSA-N -2 3 391.413 1.184 20 0 GDADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000821337753 607255582 /nfs/dbraw/zinc/25/55/82/607255582.db2.gz MZKACDVPCLKNKP-UHFFFAOYSA-N -2 3 391.413 1.184 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1 ZINC000737298968 598976605 /nfs/dbraw/zinc/97/66/05/598976605.db2.gz NGUSIGFPBWTZBE-UHFFFAOYSA-N -2 3 385.449 1.958 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C(C)(C)c1ccccc1 ZINC000737298968 598976606 /nfs/dbraw/zinc/97/66/06/598976606.db2.gz NGUSIGFPBWTZBE-UHFFFAOYSA-N -2 3 385.449 1.958 20 0 GDADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1C ZINC000737328917 598976930 /nfs/dbraw/zinc/97/69/30/598976930.db2.gz GXYKIZKTYUALRZ-UHFFFAOYSA-N -2 3 385.449 1.840 20 0 GDADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1C ZINC000737328917 598976932 /nfs/dbraw/zinc/97/69/32/598976932.db2.gz GXYKIZKTYUALRZ-UHFFFAOYSA-N -2 3 385.449 1.840 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ncccc1OC(F)F ZINC000737225692 599029694 /nfs/dbraw/zinc/02/96/94/599029694.db2.gz GURILNRSJFUKKN-UHFFFAOYSA-N -2 3 382.352 1.972 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ncccc1OC(F)F ZINC000737225692 599029695 /nfs/dbraw/zinc/02/96/95/599029695.db2.gz GURILNRSJFUKKN-UHFFFAOYSA-N -2 3 382.352 1.972 20 0 GDADHL Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737216783 599197293 /nfs/dbraw/zinc/19/72/93/599197293.db2.gz YJBRDQAQUDWXTJ-VWLOTQADSA-N -2 3 391.478 1.854 20 0 GDADHL O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)c3cccc1c23 ZINC000823548586 599234389 /nfs/dbraw/zinc/23/43/89/599234389.db2.gz ZNPKRDSXSAJOQS-UHFFFAOYSA-N -2 3 393.388 1.781 20 0 GDADHL Cc1cc(C)nc(-n2nccc2[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822198773 607327015 /nfs/dbraw/zinc/32/70/15/607327015.db2.gz JYCYWHLQEQDWHH-UHFFFAOYSA-N -2 3 397.424 1.260 20 0 GDADHL Cc1cc(C)nc(-n2nccc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822198773 607327016 /nfs/dbraw/zinc/32/70/16/607327016.db2.gz JYCYWHLQEQDWHH-UHFFFAOYSA-N -2 3 397.424 1.260 20 0 GDADHL CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC000735837079 598271366 /nfs/dbraw/zinc/27/13/66/598271366.db2.gz FQHFNVQCYMLVRO-CQSZACIVSA-N -2 3 392.441 1.547 20 0 GDADHL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736456817 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20 0 GDADHL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737169403 598599002 /nfs/dbraw/zinc/59/90/02/598599002.db2.gz WKDGTBNLOKHCAC-UHFFFAOYSA-N -2 3 394.363 1.769 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737169403 598599004 /nfs/dbraw/zinc/59/90/04/598599004.db2.gz WKDGTBNLOKHCAC-UHFFFAOYSA-N -2 3 394.363 1.769 20 0 GDADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738212148 598663637 /nfs/dbraw/zinc/66/36/37/598663637.db2.gz CZNZKTBTHXATGP-UHFFFAOYSA-N -3 3 381.320 1.644 20 0 GDADHL CC(=CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735447260 598733014 /nfs/dbraw/zinc/73/30/14/598733014.db2.gz DNDFKGTUQYMKJT-DHZHZOJOSA-N -2 3 387.396 1.914 20 0 GDADHL CC(=CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735447260 598733015 /nfs/dbraw/zinc/73/30/15/598733015.db2.gz DNDFKGTUQYMKJT-DHZHZOJOSA-N -2 3 387.396 1.914 20 0 GDADHL CC(C)c1ocnc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000735954177 598733730 /nfs/dbraw/zinc/73/37/30/598733730.db2.gz UFBLZCPALDFFKM-UHFFFAOYSA-N -2 3 376.398 1.238 20 0 GDADHL CC(C)c1ocnc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000735954177 598733731 /nfs/dbraw/zinc/73/37/31/598733731.db2.gz UFBLZCPALDFFKM-UHFFFAOYSA-N -2 3 376.398 1.238 20 0 GDADHL CCS(=O)(=O)[N-]C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736659517 598752033 /nfs/dbraw/zinc/75/20/33/598752033.db2.gz SPWJMZFVPHQIKI-UHFFFAOYSA-N -2 3 377.382 1.118 20 0 GDADHL C[C@H]1CCC[C@@H](OCC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736264746 598801883 /nfs/dbraw/zinc/80/18/83/598801883.db2.gz XTMANQQPZLCFEX-SWLSCSKDSA-N -2 3 393.469 1.408 20 0 GDADHL C[C@H]1CCC[C@@H](OCC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736264746 598801884 /nfs/dbraw/zinc/80/18/84/598801884.db2.gz XTMANQQPZLCFEX-SWLSCSKDSA-N -2 3 393.469 1.408 20 0 GDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000823387316 599305010 /nfs/dbraw/zinc/30/50/10/599305010.db2.gz 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Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000738914966 599761129 /nfs/dbraw/zinc/76/11/29/599761129.db2.gz JFTDAKYGVHRUAH-JTQLQIEISA-N -2 3 379.772 1.764 20 0 GDADHL O=C([O-])CCCCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000739670687 599887161 /nfs/dbraw/zinc/88/71/61/599887161.db2.gz BYPDZEIPUUWLNK-UHFFFAOYSA-N -2 3 376.381 1.390 20 0 GDADHL CCOC(=O)c1sc2[n-]c([C@H](C)N3CCO[C@@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000737158058 599978393 /nfs/dbraw/zinc/97/83/93/599978393.db2.gz ZNGWVIGVWRENIO-VHSXEESVSA-N -2 3 395.437 1.316 20 0 GDADHL O=C([O-])[C@H](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)Cc1cccc(F)c1 ZINC000739407276 599982497 /nfs/dbraw/zinc/98/24/97/599982497.db2.gz GUEMDSTZDLUZTN-NSHDSACASA-N -2 3 385.351 1.774 20 0 GDADHL O=C([O-])[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000498812209 600070608 /nfs/dbraw/zinc/07/06/08/600070608.db2.gz OVIFBTGHYZZSET-CQSZACIVSA-N -2 3 381.385 1.644 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)cc2)c1C(=O)[O-] ZINC000738744145 600105359 /nfs/dbraw/zinc/10/53/59/600105359.db2.gz KGTRHQPYNGQICR-UHFFFAOYSA-N -2 3 389.433 1.430 20 0 GDADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCc1ccc(F)cc1C(=O)[O-] ZINC000738945294 600112153 /nfs/dbraw/zinc/11/21/53/600112153.db2.gz QBADOOAAIQUUDA-UHFFFAOYSA-N -2 3 386.357 1.150 20 0 GDADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(F)c1 ZINC000737700400 600170240 /nfs/dbraw/zinc/17/02/40/600170240.db2.gz SUDMBLDNWMUBOL-UHFFFAOYSA-N -2 3 383.353 1.877 20 0 GDADHL CN(Cc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1)C(=O)[O-] ZINC000737479399 600509628 /nfs/dbraw/zinc/50/96/28/600509628.db2.gz YGCVUGDTUUZDMX-UHFFFAOYSA-N -2 3 375.356 1.896 20 0 GDADHL COC(=O)C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000737589315 600536586 /nfs/dbraw/zinc/53/65/86/600536586.db2.gz CNHZDNUJCBCLEF-NSHDSACASA-N -2 3 397.181 1.037 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1C(=O)[O-] ZINC000042792833 600541369 /nfs/dbraw/zinc/54/13/69/600541369.db2.gz 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O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCN(CC(F)(F)F)C2)c1F ZINC000833295317 601234381 /nfs/dbraw/zinc/23/43/81/601234381.db2.gz PNHGSVQLSZAAMS-ZETCQYMHSA-N -2 3 388.314 1.578 20 0 GDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c1F ZINC000776450142 601234631 /nfs/dbraw/zinc/23/46/31/601234631.db2.gz BGAWHPWHXNCZII-UHFFFAOYSA-N -2 3 377.365 1.673 20 0 GDADHL COc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C2 ZINC000832576993 601235205 /nfs/dbraw/zinc/23/52/05/601235205.db2.gz ASYNMMHVCOVEOX-SNVBAGLBSA-N -2 3 399.371 1.954 20 0 GDADHL COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000831567740 601291688 /nfs/dbraw/zinc/29/16/88/601291688.db2.gz HTHNGLYZMWFQER-MRXNPFEDSA-N -2 3 390.433 1.122 20 0 GDADHL CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1 ZINC000827058748 601319729 /nfs/dbraw/zinc/31/97/29/601319729.db2.gz UUUJWAFYFUICND-UHFFFAOYSA-N -2 3 395.437 1.891 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c(C)o1 ZINC000831034348 601358065 /nfs/dbraw/zinc/35/80/65/601358065.db2.gz WSELVBUJLVLDCP-UHFFFAOYSA-N -2 3 398.393 1.179 20 0 GDADHL COc1cc(OC)cc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)c1 ZINC000832088672 601477947 /nfs/dbraw/zinc/47/79/47/601477947.db2.gz QQAGTVUEVKRAGS-LLVKDONJSA-N -2 3 396.421 1.552 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNc2ccc(-c3ccccc3)nn2)o1 ZINC000833323275 601581632 /nfs/dbraw/zinc/58/16/32/601581632.db2.gz NMSFXEKGDKADPC-UHFFFAOYSA-N -2 3 388.405 1.825 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C)o1 ZINC000262930444 601610674 /nfs/dbraw/zinc/61/06/74/601610674.db2.gz JWFJEXWGODVMFA-BONVTDFDSA-N -2 3 380.422 1.688 20 0 GDADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCC(C)(C)C(=O)[O-])CCCC1 ZINC000262235556 601709998 /nfs/dbraw/zinc/70/99/98/601709998.db2.gz NUTFWKSVJDOLCU-UHFFFAOYSA-N -2 3 387.458 1.110 20 0 GDADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)CCCC1 ZINC000263062765 601757412 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1.399 20 0 GDADHL COc1cccc(CS(=O)(=O)[N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826216767 608144759 /nfs/dbraw/zinc/14/47/59/608144759.db2.gz MNFLXFPIHBDDAX-UHFFFAOYSA-N -2 3 387.421 1.064 20 0 GDADHL COc1cccc(CS(=O)(=O)[N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826216767 608144760 /nfs/dbraw/zinc/14/47/60/608144760.db2.gz MNFLXFPIHBDDAX-UHFFFAOYSA-N -2 3 387.421 1.064 20 0 GDADHL Cc1ccc2cccnc2c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826295682 608145215 /nfs/dbraw/zinc/14/52/15/608145215.db2.gz STEDKQURKDRCLT-UHFFFAOYSA-N -2 3 383.393 1.170 20 0 GDADHL Cc1ccc2cccnc2c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826295682 608145216 /nfs/dbraw/zinc/14/52/16/608145216.db2.gz STEDKQURKDRCLT-UHFFFAOYSA-N -2 3 383.393 1.170 20 0 GDADHL Cc1scc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826350192 608332228 /nfs/dbraw/zinc/33/22/28/608332228.db2.gz LPARGFPNCLJGAH-UHFFFAOYSA-N -2 3 377.451 1.805 20 0 GDADHL Cc1scc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826350192 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COCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826155369 609386073 /nfs/dbraw/zinc/38/60/73/609386073.db2.gz NSBQHIVFJJYSEQ-VIFPVBQESA-N -2 3 387.849 1.388 20 0 GDADHL O=S(=O)([N-]c1cnn(CC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492813 609529050 /nfs/dbraw/zinc/52/90/50/609529050.db2.gz FQTMNVRLOCWXPO-UHFFFAOYSA-N -2 3 389.775 1.783 20 0 GDADHL O=S(=O)([N-]c1cnn(CC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492813 609529052 /nfs/dbraw/zinc/52/90/52/609529052.db2.gz FQTMNVRLOCWXPO-UHFFFAOYSA-N -2 3 389.775 1.783 20 0 GDADHL O=C1Cc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)ccc2N1 ZINC000826482312 609529250 /nfs/dbraw/zinc/52/92/50/609529250.db2.gz ZZIKFTIMFRLASZ-UHFFFAOYSA-N -2 3 390.812 1.816 20 0 GDADHL O=C1Cc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)ccc2N1 ZINC000826482312 609529252 /nfs/dbraw/zinc/52/92/52/609529252.db2.gz ZZIKFTIMFRLASZ-UHFFFAOYSA-N -2 3 390.812 1.816 20 0 GDADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826349592 609531035 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ZINC000548562765 650553198 /nfs/dbraw/zinc/55/31/98/650553198.db2.gz FGWHEICESJPPLD-CBAPKCEASA-N -2 3 386.289 1.712 20 0 GDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000548588999 650555968 /nfs/dbraw/zinc/55/59/68/650555968.db2.gz YPUGSACHESYZTD-UWVGGRQHSA-N -2 3 376.456 1.632 20 0 GDADHL O=c1nc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Br)[n-]o1 ZINC000564415738 650757704 /nfs/dbraw/zinc/75/77/04/650757704.db2.gz TWROHUBLKYKSRJ-UHFFFAOYSA-N -2 3 382.623 1.300 20 0 GDADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000565309273 650791492 /nfs/dbraw/zinc/79/14/92/650791492.db2.gz XWWOJNJIAOEMIQ-QMMMGPOBSA-N -2 3 393.259 1.674 20 0 GDADHL CCC(C)(C)[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000565480927 650798629 /nfs/dbraw/zinc/79/86/29/650798629.db2.gz KJIUNOGZJLZUFO-LBPRGKRZSA-N -2 3 396.462 1.365 20 0 GDADHL CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000055617554 644473812 /nfs/dbraw/zinc/47/38/12/644473812.db2.gz GPDKCJYVBIBCAN-SECBINFHSA-N -2 3 381.376 1.334 20 0 GDADHL CN(CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)CC(F)(F)F ZINC000184930258 644980485 /nfs/dbraw/zinc/98/04/85/644980485.db2.gz JACGFNIBFIUATG-UHFFFAOYSA-N -2 3 390.330 1.826 20 0 GDADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000263046093 645145555 /nfs/dbraw/zinc/14/55/55/645145555.db2.gz CYWCRNNQQCNRDV-BDAKNGLRSA-N -2 3 385.833 1.394 20 0 GDADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000263046093 645145557 /nfs/dbraw/zinc/14/55/57/645145557.db2.gz CYWCRNNQQCNRDV-BDAKNGLRSA-N -2 3 385.833 1.394 20 0 GDADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000263362560 645150958 /nfs/dbraw/zinc/15/09/58/645150958.db2.gz SHCQEQGCRWMIGU-IUCAKERBSA-N -2 3 380.875 1.249 20 0 GDADHL Cc1noc(CC[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)n1 ZINC000273684320 645170199 /nfs/dbraw/zinc/17/01/99/645170199.db2.gz LDAUZKDXOLGRGO-UHFFFAOYSA-N -2 3 396.244 1.421 20 0 GDADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(C)cc2Br)[n-]1 ZINC000460532035 647469514 /nfs/dbraw/zinc/46/95/14/647469514.db2.gz LOKUDNANMHZKPW-UHFFFAOYSA-N -2 3 389.231 1.392 20 0 GDADHL O=S(=O)([N-]CC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2cncnc2)cc1 ZINC000464548646 647583913 /nfs/dbraw/zinc/58/39/13/647583913.db2.gz XQOCOQFGHKWDOV-UHFFFAOYSA-N -2 3 396.372 1.118 20 0 GDADHL CCCSC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-] ZINC000517056030 648553840 /nfs/dbraw/zinc/55/38/40/648553840.db2.gz XDIXTLMYLLQOMI-LLVKDONJSA-N -2 3 379.431 1.487 20 0 GDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)s1 ZINC000574695388 651561789 /nfs/dbraw/zinc/56/17/89/651561789.db2.gz MBMWWRFXKDYHIU-LKFCYVNXSA-N -2 3 375.472 1.661 20 0 GDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCOC1 ZINC000576410368 651661990 /nfs/dbraw/zinc/66/19/90/651661990.db2.gz KRFCRRDTKPVXFM-WRWORJQWSA-N -2 3 398.662 1.871 20 0 GDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)s1 ZINC000582841062 652018286 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-2 3 394.844 1.778 20 0 GDADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)n1cccc1 ZINC000735977879 599219989 /nfs/dbraw/zinc/21/99/89/599219989.db2.gz WMNGEHDILWUGGA-JTQLQIEISA-N -2 3 394.844 1.778 20 0 GDADHL O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000738212787 599237638 /nfs/dbraw/zinc/23/76/38/599237638.db2.gz ZCXSFTVCPATQFV-NSHDSACASA-N -2 3 385.405 1.634 20 0 GDADHL O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000738212787 599237639 /nfs/dbraw/zinc/23/76/39/599237639.db2.gz ZCXSFTVCPATQFV-NSHDSACASA-N -2 3 385.405 1.634 20 0 GDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)c2)n1 ZINC000818329519 597523070 /nfs/dbraw/zinc/52/30/70/597523070.db2.gz WNIBUVDQVILEQP-GFCCVEGCSA-N -2 3 384.392 1.283 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nncn1Cc1ccccc1 ZINC000737301690 599286142 /nfs/dbraw/zinc/28/61/42/599286142.db2.gz QQDISCMGFORHRU-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nncn1Cc1ccccc1 ZINC000737301690 599286143 /nfs/dbraw/zinc/28/61/43/599286143.db2.gz QQDISCMGFORHRU-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL O=C([O-])c1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000821544584 598157271 /nfs/dbraw/zinc/15/72/71/598157271.db2.gz HFUDTYYNCASCQZ-UHFFFAOYSA-N -2 3 388.854 1.808 20 0 GDADHL O=C([O-])CCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000557308204 598168272 /nfs/dbraw/zinc/16/82/72/598168272.db2.gz LJXHOMOVDITZKC-UHFFFAOYSA-N -2 3 383.401 1.939 20 0 GDADHL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736940573 598283086 /nfs/dbraw/zinc/28/30/86/598283086.db2.gz LPQDLXNPMIJECU-UHFFFAOYSA-N -2 3 377.357 1.593 20 0 GDADHL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736940573 598283087 /nfs/dbraw/zinc/28/30/87/598283087.db2.gz LPQDLXNPMIJECU-UHFFFAOYSA-N -2 3 377.357 1.593 20 0 GDADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000737063282 598283358 /nfs/dbraw/zinc/28/33/58/598283358.db2.gz UNYVLMROBNQSHA-UHFFFAOYSA-N -3 3 395.422 1.744 20 0 GDADHL O=C(c1c([O-])cc(F)cc1F)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738248230 598287571 /nfs/dbraw/zinc/28/75/71/598287571.db2.gz XCRZJYPQQZXBDW-UHFFFAOYSA-N -2 3 386.362 1.813 20 0 GDADHL O=C(c1c([O-])cc(F)cc1F)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738248230 598287574 /nfs/dbraw/zinc/28/75/74/598287574.db2.gz XCRZJYPQQZXBDW-UHFFFAOYSA-N -2 3 386.362 1.813 20 0 GDADHL COc1ccsc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737160287 598374144 /nfs/dbraw/zinc/37/41/44/598374144.db2.gz YLGGDGGBGSVKDC-UHFFFAOYSA-N -2 3 379.423 1.197 20 0 GDADHL COc1ccsc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737160287 598374146 /nfs/dbraw/zinc/37/41/46/598374146.db2.gz YLGGDGGBGSVKDC-UHFFFAOYSA-N -2 3 379.423 1.197 20 0 GDADHL O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(-c4nn[n-]n4)c3)c(Cl)cc2N1 ZINC000738317262 598377543 /nfs/dbraw/zinc/37/75/43/598377543.db2.gz ZZGDUHNSQZEAJX-UHFFFAOYSA-N -2 3 390.812 1.816 20 0 GDADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCOCC1 ZINC000736202670 598414891 /nfs/dbraw/zinc/41/48/91/598414891.db2.gz JHNBSJJTUKDLBT-UHFFFAOYSA-N -2 3 385.833 1.142 20 0 GDADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCOCC1 ZINC000736202670 598414892 /nfs/dbraw/zinc/41/48/92/598414892.db2.gz JHNBSJJTUKDLBT-UHFFFAOYSA-N -2 3 385.833 1.142 20 0 GDADHL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000735489107 598451596 /nfs/dbraw/zinc/45/15/96/598451596.db2.gz WFIIAMDEMTVVPO-UHFFFAOYSA-N -2 3 393.454 1.699 20 0 GDADHL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000735489107 598451598 /nfs/dbraw/zinc/45/15/98/598451598.db2.gz WFIIAMDEMTVVPO-UHFFFAOYSA-N -2 3 393.454 1.699 20 0 GDADHL O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000737925029 598510215 /nfs/dbraw/zinc/51/02/15/598510215.db2.gz MOXDRHRHLMILJA-UHFFFAOYSA-N -2 3 379.336 1.228 20 0 GDADHL O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000737925029 598510217 /nfs/dbraw/zinc/51/02/17/598510217.db2.gz MOXDRHRHLMILJA-UHFFFAOYSA-N -2 3 379.336 1.228 20 0 GDADHL NC(=O)c1oc2ccccc2c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737765081 598513318 /nfs/dbraw/zinc/51/33/18/598513318.db2.gz RSZPGTNMXLULLZ-UHFFFAOYSA-N -2 3 384.377 1.513 20 0 GDADHL NC(=O)c1oc2ccccc2c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737765081 598513319 /nfs/dbraw/zinc/51/33/19/598513319.db2.gz RSZPGTNMXLULLZ-UHFFFAOYSA-N -2 3 384.377 1.513 20 0 GDADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(C2CC2)no1 ZINC000735735749 598525358 /nfs/dbraw/zinc/52/53/58/598525358.db2.gz VBLZHUVZGZBDEJ-LBPRGKRZSA-N -2 3 390.429 1.198 20 0 GDADHL Cc1ncc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737489018 598786388 /nfs/dbraw/zinc/78/63/88/598786388.db2.gz DXOTYIJKHBRJAI-VOTSOKGWSA-N -2 3 390.450 1.291 20 0 GDADHL Cc1ncc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737489018 598786389 /nfs/dbraw/zinc/78/63/89/598786389.db2.gz DXOTYIJKHBRJAI-VOTSOKGWSA-N -2 3 390.450 1.291 20 0 GDADHL O=C(CCC(=O)c1ccccc1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822949982 599620061 /nfs/dbraw/zinc/62/00/61/599620061.db2.gz BDAFIWGPVDMGTA-UHFFFAOYSA-N -2 3 399.432 1.476 20 0 GDADHL O=C(CCC(=O)c1ccccc1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822949982 599620062 /nfs/dbraw/zinc/62/00/62/599620062.db2.gz BDAFIWGPVDMGTA-UHFFFAOYSA-N -2 3 399.432 1.476 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)c1cccc(F)c1 ZINC000822222276 599624806 /nfs/dbraw/zinc/62/48/06/599624806.db2.gz AZJSZAUXSWRLAU-LLVKDONJSA-N -2 3 389.412 1.923 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)c1cccc(F)c1 ZINC000822222276 599624807 /nfs/dbraw/zinc/62/48/07/599624807.db2.gz AZJSZAUXSWRLAU-LLVKDONJSA-N -2 3 389.412 1.923 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(OCC(F)(F)F)c2)o1 ZINC000740177174 599771568 /nfs/dbraw/zinc/77/15/68/599771568.db2.gz JSFLWWRBQCRYEO-UHFFFAOYSA-N -2 3 380.300 1.792 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)o1 ZINC000740176888 599774775 /nfs/dbraw/zinc/77/47/75/599774775.db2.gz WWKMZWKDHQOROV-ZDUSSCGKSA-N -2 3 394.405 1.574 20 0 GDADHL Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000370569847 599907619 /nfs/dbraw/zinc/90/76/19/599907619.db2.gz QMDNTTAFSQPXBX-UHFFFAOYSA-N -2 3 391.384 1.917 20 0 GDADHL Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000057784273 599923899 /nfs/dbraw/zinc/92/38/99/599923899.db2.gz VKWUHOIQENBNOQ-UHFFFAOYSA-N -2 3 391.384 1.917 20 0 GDADHL CC(C)C[C@@H](NC(=O)COC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC000736415421 600109113 /nfs/dbraw/zinc/10/91/13/600109113.db2.gz NVXPFGIOZFUFJA-LLVKDONJSA-N -2 3 388.214 1.927 20 0 GDADHL O=C([O-])c1sccc1NC(=O)COC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000739315770 600164963 /nfs/dbraw/zinc/16/49/63/600164963.db2.gz OTZIONLGBRUMKI-UHFFFAOYSA-N -2 3 378.362 1.064 20 0 GDADHL CCC[C@](C)(NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000736954982 600174868 /nfs/dbraw/zinc/17/48/68/600174868.db2.gz VZNTYHOQQGTQPJ-BMIGLBTASA-N -2 3 391.877 1.552 20 0 GDADHL O=C([O-])Cc1nc([N-]C(=O)c2cn(-c3ccccc3Br)nn2)n[nH]1 ZINC000739899264 600182232 /nfs/dbraw/zinc/18/22/32/600182232.db2.gz HVWRWYLHGISASM-UHFFFAOYSA-N -2 3 392.173 1.027 20 0 GDADHL CN1CCN(c2ccc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])nc2)CC1 ZINC000737530744 600246712 /nfs/dbraw/zinc/24/67/12/600246712.db2.gz WGKLGKJHMULGSW-UHFFFAOYSA-N -2 3 394.428 1.472 20 0 GDADHL O=C([O-])CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000739771672 600268970 /nfs/dbraw/zinc/26/89/70/600268970.db2.gz FCTROKLVYBFHTK-LLVKDONJSA-N -2 3 390.421 1.504 20 0 GDADHL CN(C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000737336540 600275141 /nfs/dbraw/zinc/27/51/41/600275141.db2.gz MJADFWNIBXXQKB-QGZVFWFLSA-N -2 3 384.436 1.101 20 0 GDADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000738974858 600360395 /nfs/dbraw/zinc/36/03/95/600360395.db2.gz HPLVCTUMEJOGGR-NSHDSACASA-N -2 3 383.360 1.539 20 0 GDADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000738387329 600362171 /nfs/dbraw/zinc/36/21/71/600362171.db2.gz COZJZGKBSQJVNA-LBPRGKRZSA-N -2 3 397.387 1.930 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(OCC(=O)[O-])c2)s1 ZINC000737701131 600634607 /nfs/dbraw/zinc/63/46/07/600634607.db2.gz VSFXUNWNTRDLPS-UHFFFAOYSA-N -2 3 385.419 1.477 20 0 GDADHL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2Br)cn1 ZINC000035651767 600673528 /nfs/dbraw/zinc/67/35/28/600673528.db2.gz XAWJLCWAMVWGFQ-UHFFFAOYSA-N -2 3 378.179 1.670 20 0 GDADHL O=C([O-])Cn1c(=O)c2ccccc2nc1C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823387093 607458829 /nfs/dbraw/zinc/45/88/29/607458829.db2.gz CKQHKHISMKALRE-FPLPWBNLSA-N -2 3 392.350 1.971 20 0 GDADHL O=C([O-])Cn1c(=O)c2ccccc2nc1C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823387093 607458831 /nfs/dbraw/zinc/45/88/31/607458831.db2.gz CKQHKHISMKALRE-FPLPWBNLSA-N -2 3 392.350 1.971 20 0 GDADHL 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CGJMCXKZHYLVJG-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000822175956 607095796 /nfs/dbraw/zinc/09/57/96/607095796.db2.gz CGJMCXKZHYLVJG-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000821700278 607107173 /nfs/dbraw/zinc/10/71/73/607107173.db2.gz JKBIMUPDDHQCOK-UHFFFAOYSA-N -2 3 389.412 1.500 20 0 GDADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000821701137 607109159 /nfs/dbraw/zinc/10/91/59/607109159.db2.gz CNUCLGXKIQFGKW-UHFFFAOYSA-N -2 3 399.363 1.356 20 0 GDADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000821701137 607109160 /nfs/dbraw/zinc/10/91/60/607109160.db2.gz CNUCLGXKIQFGKW-UHFFFAOYSA-N -2 3 399.363 1.356 20 0 GDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000820542436 607110498 /nfs/dbraw/zinc/11/04/98/607110498.db2.gz NZTFGRHEPMYSDD-LBPRGKRZSA-N -2 3 397.391 1.414 20 0 GDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000820542436 607110499 /nfs/dbraw/zinc/11/04/99/607110499.db2.gz NZTFGRHEPMYSDD-LBPRGKRZSA-N -2 3 397.391 1.414 20 0 GDADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822458602 607245421 /nfs/dbraw/zinc/24/54/21/607245421.db2.gz FLNKSCMFVAUYGN-UHFFFAOYSA-N -2 3 383.343 1.519 20 0 GDADHL CCc1cccc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1 ZINC000825723121 607776715 /nfs/dbraw/zinc/77/67/15/607776715.db2.gz RTQHJHFZFZFJRY-UHFFFAOYSA-N -2 3 385.449 1.618 20 0 GDADHL CCc1cccc(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1 ZINC000825723121 607776716 /nfs/dbraw/zinc/77/67/16/607776716.db2.gz RTQHJHFZFZFJRY-UHFFFAOYSA-N -2 3 385.449 1.618 20 0 GDADHL Cc1c(NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)cccc1C(=O)[O-] ZINC000826243139 607827505 /nfs/dbraw/zinc/82/75/05/607827505.db2.gz WFYBQFRHZNSZPN-UHFFFAOYSA-N -2 3 391.384 1.954 20 0 GDADHL Cc1c(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)cccc1C(=O)[O-] ZINC000826243139 607827506 /nfs/dbraw/zinc/82/75/06/607827506.db2.gz WFYBQFRHZNSZPN-UHFFFAOYSA-N -2 3 391.384 1.954 20 0 GDADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000825875151 607846284 /nfs/dbraw/zinc/84/62/84/607846284.db2.gz AWUOGRPOQVGFIE-UHFFFAOYSA-N -2 3 394.848 1.364 20 0 GDADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826408569 607925683 /nfs/dbraw/zinc/92/56/83/607925683.db2.gz MHHONFRUYBEVSY-UHFFFAOYSA-N -2 3 392.828 1.353 20 0 GDADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826408569 607925684 /nfs/dbraw/zinc/92/56/84/607925684.db2.gz MHHONFRUYBEVSY-UHFFFAOYSA-N -2 3 392.828 1.353 20 0 GDADHL Cc1cc(C)c(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1C(=O)[O-] ZINC000826264008 607933302 /nfs/dbraw/zinc/93/33/02/607933302.db2.gz ZFINNXKTJVZHHB-UHFFFAOYSA-N -2 3 399.432 1.933 20 0 GDADHL Cc1cc(C)c(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1C(=O)[O-] ZINC000826264008 607933303 /nfs/dbraw/zinc/93/33/03/607933303.db2.gz ZFINNXKTJVZHHB-UHFFFAOYSA-N -2 3 399.432 1.933 20 0 GDADHL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000824384968 607984984 /nfs/dbraw/zinc/98/49/84/607984984.db2.gz IVGKGGGFGDHGIN-GFCCVEGCSA-N -2 3 386.437 1.402 20 0 GDADHL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000824384968 607984985 /nfs/dbraw/zinc/98/49/85/607984985.db2.gz IVGKGGGFGDHGIN-GFCCVEGCSA-N -2 3 386.437 1.402 20 0 GDADHL O=C(CCc1ccccn1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826409252 607991483 /nfs/dbraw/zinc/99/14/83/607991483.db2.gz OUMPJRXXCPIVIU-UHFFFAOYSA-N -2 3 392.828 1.353 20 0 GDADHL O=C(CCc1ccccn1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826409252 607991484 /nfs/dbraw/zinc/99/14/84/607991484.db2.gz OUMPJRXXCPIVIU-UHFFFAOYSA-N -2 3 392.828 1.353 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000826279024 608010320 /nfs/dbraw/zinc/01/03/20/608010320.db2.gz BYCPIIVXLNLXHS-AWEZNQCLSA-N -2 3 387.421 1.669 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000826279024 608010321 /nfs/dbraw/zinc/01/03/21/608010321.db2.gz BYCPIIVXLNLXHS-AWEZNQCLSA-N -2 3 387.421 1.669 20 0 GDADHL O=C(CSCC(F)(F)F)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826420119 608075916 /nfs/dbraw/zinc/07/59/16/608075916.db2.gz ZAOLQEHYPMDKHA-UHFFFAOYSA-N -2 3 395.388 1.108 20 0 GDADHL O=C(CSCC(F)(F)F)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826420119 608075917 /nfs/dbraw/zinc/07/59/17/608075917.db2.gz ZAOLQEHYPMDKHA-UHFFFAOYSA-N -2 3 395.388 1.108 20 0 GDADHL C[C@]1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO[C@H]1C1CC1 ZINC000824838513 608128320 /nfs/dbraw/zinc/12/83/20/608128320.db2.gz RBJCGRYGROLZJC-ZFWWWQNUSA-N -2 3 385.396 1.381 20 0 GDADHL CCC1(O)CCC([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000825176554 608246887 /nfs/dbraw/zinc/24/68/87/608246887.db2.gz XQIQOTXHHQWSRX-UHFFFAOYSA-N -2 3 387.412 1.507 20 0 GDADHL O=C(C=C1CCSCC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826399975 608274552 /nfs/dbraw/zinc/27/45/52/608274552.db2.gz LUOUBFMKSYVWGL-UHFFFAOYSA-N -2 3 379.467 1.266 20 0 GDADHL O=C(C=C1CCSCC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826399975 608274553 /nfs/dbraw/zinc/27/45/53/608274553.db2.gz LUOUBFMKSYVWGL-UHFFFAOYSA-N -2 3 379.467 1.266 20 0 GDADHL Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c(Br)c1 ZINC000826292804 608307435 /nfs/dbraw/zinc/30/74/35/608307435.db2.gz MRCOYWYZQKZKEM-UHFFFAOYSA-N -2 3 384.219 1.462 20 0 GDADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(OC(F)F)c(Cl)c1 ZINC000826492498 608307745 /nfs/dbraw/zinc/30/77/45/608307745.db2.gz OACZCPQIGQWJGP-UHFFFAOYSA-N -2 3 391.747 1.645 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)CCCC(F)(F)F ZINC000826249479 608318149 /nfs/dbraw/zinc/31/81/49/608318149.db2.gz FIRWARAOEYCNDV-UHFFFAOYSA-N -2 3 377.348 1.577 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)CCCC(F)(F)F ZINC000826249479 608318153 /nfs/dbraw/zinc/31/81/53/608318153.db2.gz FIRWARAOEYCNDV-UHFFFAOYSA-N -2 3 377.348 1.577 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cc1cccc(F)c1F ZINC000826279583 608475376 /nfs/dbraw/zinc/47/53/76/608475376.db2.gz VEHCZHZNCHTOMB-UHFFFAOYSA-N -2 3 393.375 1.501 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cc1cccc(F)c1F ZINC000826279583 608475377 /nfs/dbraw/zinc/47/53/77/608475377.db2.gz VEHCZHZNCHTOMB-UHFFFAOYSA-N -2 3 393.375 1.501 20 0 GDADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825658732 608476550 /nfs/dbraw/zinc/47/65/50/608476550.db2.gz JPIBYJYJJDWSDX-QXMHVHEDSA-N -2 3 399.432 1.784 20 0 GDADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825658732 608476551 /nfs/dbraw/zinc/47/65/51/608476551.db2.gz JPIBYJYJJDWSDX-QXMHVHEDSA-N -2 3 399.432 1.784 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cccc(Cl)n1 ZINC000826449941 609140046 /nfs/dbraw/zinc/14/00/46/609140046.db2.gz PZKZYWQUXKTWCZ-UHFFFAOYSA-N -2 3 378.801 1.175 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1cccc(Cl)n1 ZINC000826449941 609140048 /nfs/dbraw/zinc/14/00/48/609140048.db2.gz PZKZYWQUXKTWCZ-UHFFFAOYSA-N -2 3 378.801 1.175 20 0 GDADHL C[C@@H]1CC(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000824875258 609142085 /nfs/dbraw/zinc/14/20/85/609142085.db2.gz KFVXCFZRTGHKDI-RYUDHWBXSA-N -2 3 377.470 1.885 20 0 GDADHL C[C@@H]1CC(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000824875258 609142086 /nfs/dbraw/zinc/14/20/86/609142086.db2.gz KFVXCFZRTGHKDI-RYUDHWBXSA-N -2 3 377.470 1.885 20 0 GDADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccs1 ZINC000826162553 609469660 /nfs/dbraw/zinc/46/96/60/609469660.db2.gz IAJXXRLIDYYWQJ-UHFFFAOYSA-N -2 3 381.439 1.754 20 0 GDADHL CC(C)(C)n1cnc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000541287237 650380916 /nfs/dbraw/zinc/38/09/16/650380916.db2.gz UOKUBLGZDAGPMP-UHFFFAOYSA-N -2 3 391.450 1.345 20 0 GDADHL CCCSC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000547589277 650505953 /nfs/dbraw/zinc/50/59/53/650505953.db2.gz XMCCHXQLBSOERE-QMMMGPOBSA-N -2 3 397.496 1.418 20 0 GDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])s1 ZINC000547891110 650518687 /nfs/dbraw/zinc/51/86/87/650518687.db2.gz KYIVXPWEWOYOAN-UHFFFAOYSA-N -2 3 379.456 1.713 20 0 GDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)s1 ZINC000547936830 650525289 /nfs/dbraw/zinc/52/52/89/650525289.db2.gz SSALFCMMCXFFKH-UHFFFAOYSA-N -2 3 377.440 1.467 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(OC)c2)s1 ZINC000548200396 650534217 /nfs/dbraw/zinc/53/42/17/650534217.db2.gz MDDMKAMZUAQTDN-ZDUSSCGKSA-N -2 3 385.419 1.648 20 0 GDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)[C@@H]1CCOC1 ZINC000548528269 650548428 /nfs/dbraw/zinc/54/84/28/650548428.db2.gz ADPXWIDATCPFFH-HQJQHLMTSA-N -2 3 382.207 1.356 20 0 GDADHL COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1OC ZINC000564208755 650752344 /nfs/dbraw/zinc/75/23/44/650752344.db2.gz SZZPBTLIEYGDHP-VIFPVBQESA-N -2 3 386.451 1.768 20 0 GDADHL CCc1nnc(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 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CCOc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000825658734 608476393 /nfs/dbraw/zinc/47/63/93/608476393.db2.gz JPIBYJYJJDWSDX-VAWYXSNFSA-N -2 3 399.432 1.784 20 0 GDADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000825658734 608476394 /nfs/dbraw/zinc/47/63/94/608476394.db2.gz JPIBYJYJJDWSDX-VAWYXSNFSA-N -2 3 399.432 1.784 20 0 GDADHL O=S(=O)([N-]c1nncn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826493434 608490797 /nfs/dbraw/zinc/49/07/97/608490797.db2.gz KHXBGEFMRIXACA-UHFFFAOYSA-N -2 3 386.372 1.387 20 0 GDADHL O=S(=O)([N-]c1nncn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826493434 608490799 /nfs/dbraw/zinc/49/07/99/608490799.db2.gz KHXBGEFMRIXACA-UHFFFAOYSA-N -2 3 386.372 1.387 20 0 GDADHL Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824857063 608493839 /nfs/dbraw/zinc/49/38/39/608493839.db2.gz AAFFGIKKYDTTQD-CQSZACIVSA-N -2 3 391.395 1.251 20 0 GDADHL Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824857063 608493841 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598801769 /nfs/dbraw/zinc/80/17/69/598801769.db2.gz VJBIKHRTHSHQNC-LLVKDONJSA-N -2 3 381.458 1.516 20 0 GDADHL O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3cccc(-c4nn[n-]n4)c3)cc2o1 ZINC000152777175 599300886 /nfs/dbraw/zinc/30/08/86/599300886.db2.gz HXRWXJXGEAYXIQ-UHFFFAOYSA-N -2 3 392.784 1.755 20 0 GDADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1-c1nnn[n-]1 ZINC000820178483 607375563 /nfs/dbraw/zinc/37/55/63/607375563.db2.gz RGEVELNMLJAEKZ-UHFFFAOYSA-N -2 3 378.389 1.989 20 0 GDADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1-c1nn[n-]n1 ZINC000820178483 607375564 /nfs/dbraw/zinc/37/55/64/607375564.db2.gz RGEVELNMLJAEKZ-UHFFFAOYSA-N -2 3 378.389 1.989 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccsc1 ZINC000735550974 599617009 /nfs/dbraw/zinc/61/70/09/599617009.db2.gz NZWGPDWWSIKAAD-SNVBAGLBSA-N -2 3 377.451 1.678 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccsc1 ZINC000735550974 599617011 /nfs/dbraw/zinc/61/70/11/599617011.db2.gz NZWGPDWWSIKAAD-SNVBAGLBSA-N -2 3 377.451 1.678 20 0 GDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2ccn(CC(=O)[O-])n2)cc1OC ZINC000737227111 599780610 /nfs/dbraw/zinc/78/06/10/599780610.db2.gz WOFVPEAHEXEGJE-UHFFFAOYSA-N -2 3 397.413 1.382 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(C(=O)OCc2noc(CCCC(=O)[O-])n2)cc1 ZINC000738163493 600185540 /nfs/dbraw/zinc/18/55/40/600185540.db2.gz GEBBVPYBERVUAN-UHFFFAOYSA-N -2 3 383.382 1.205 20 0 GDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C2CC2)cc1Cl ZINC000736157137 600239880 /nfs/dbraw/zinc/23/98/80/600239880.db2.gz CPZTZEIUZURQFO-AWEZNQCLSA-N -2 3 378.809 1.969 20 0 GDADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000739825611 600301452 /nfs/dbraw/zinc/30/14/52/600301452.db2.gz AKIPKUQZFGFHRP-UHFFFAOYSA-N -3 3 380.378 1.718 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)cc1C(=O)[O-] ZINC000042793979 600542597 /nfs/dbraw/zinc/54/25/97/600542597.db2.gz HLRGLIAWWOQSMB-UHFFFAOYSA-N -2 3 380.378 1.058 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1-n1cnnn1 ZINC000462104754 600817071 /nfs/dbraw/zinc/81/70/71/600817071.db2.gz SWXOLQMKMAFVIA-UHFFFAOYSA-N -2 3 389.393 1.478 20 0 GDADHL Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1F ZINC000375651346 600892734 /nfs/dbraw/zinc/89/27/34/600892734.db2.gz HCLSEMHGOSLLEU-UHFFFAOYSA-N -2 3 391.384 1.917 20 0 GDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cccnc2-n2cccn2)c1F ZINC000833294061 600993644 /nfs/dbraw/zinc/99/36/44/600993644.db2.gz MZCKDCLIHJCYPA-UHFFFAOYSA-N -2 3 394.359 1.722 20 0 GDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3F)C2=O)cc1C(=O)[O-] ZINC000833029116 601222043 /nfs/dbraw/zinc/22/20/43/601222043.db2.gz YPNCSVDVXZTUIX-GFCCVEGCSA-N -2 3 382.369 1.509 20 0 GDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(C)cc3)C2=O)cc1C(=O)[O-] ZINC000832937032 601222741 /nfs/dbraw/zinc/22/27/41/601222741.db2.gz ZKKDAUGLWCHIKJ-AWEZNQCLSA-N -2 3 378.406 1.678 20 0 GDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)c1F ZINC000833295154 601236367 /nfs/dbraw/zinc/23/63/67/601236367.db2.gz MPRFGJKKMYFLAH-GFCCVEGCSA-N -2 3 396.371 1.747 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c(C)o1 ZINC000263271097 601280384 /nfs/dbraw/zinc/28/03/84/601280384.db2.gz OZAPQQWYISQFLX-CYBMUJFWSA-N -2 3 384.385 1.581 20 0 GDADHL Cn1cc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000833045147 601324189 /nfs/dbraw/zinc/32/41/89/601324189.db2.gz JISDNXYMQFXGLY-UHFFFAOYSA-N -2 3 377.831 1.355 20 0 GDADHL O=C([O-])C[C@@H](NC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)C1CC1 ZINC000833198910 601531269 /nfs/dbraw/zinc/53/12/69/601531269.db2.gz MMOKQNIDCZOUFQ-LLVKDONJSA-N -2 3 388.392 1.389 20 0 GDADHL COC[C@@](C)(NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000537412826 601700193 /nfs/dbraw/zinc/70/01/93/601700193.db2.gz ZUXKSNWOTYEYLW-MRXNPFEDSA-N -2 3 399.400 1.174 20 0 GDADHL O=C([O-])[C@]1(F)CCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000833354046 601712326 /nfs/dbraw/zinc/71/23/26/601712326.db2.gz FXKUIAIBGKLIPM-HNNXBMFYSA-N -2 3 392.355 1.044 20 0 GDADHL CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nc(CCCC(=O)[O-])cs2)o1 ZINC000393242460 601744797 /nfs/dbraw/zinc/74/47/97/601744797.db2.gz WCWVBBUCURNYME-UHFFFAOYSA-N -2 3 387.439 1.646 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826303834 607534396 /nfs/dbraw/zinc/53/43/96/607534396.db2.gz HNTHIOSACFBNTI-UHFFFAOYSA-N -2 3 393.450 1.379 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826303834 607534399 /nfs/dbraw/zinc/53/43/99/607534399.db2.gz HNTHIOSACFBNTI-UHFFFAOYSA-N -2 3 393.450 1.379 20 0 GDADHL Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000826304127 607534922 /nfs/dbraw/zinc/53/49/22/607534922.db2.gz XNEIJWWYDAIPOZ-UHFFFAOYSA-N -2 3 397.424 1.260 20 0 GDADHL Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826304127 607534925 /nfs/dbraw/zinc/53/49/25/607534925.db2.gz XNEIJWWYDAIPOZ-UHFFFAOYSA-N -2 3 397.424 1.260 20 0 GDADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000477407254 601982682 /nfs/dbraw/zinc/98/26/82/601982682.db2.gz SWEUDXPGZMWAKR-UHFFFAOYSA-N -2 3 385.394 1.655 20 0 GDADHL Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740040612 602115290 /nfs/dbraw/zinc/11/52/90/602115290.db2.gz CAYSRJMMGSODOY-UHFFFAOYSA-N -2 3 397.399 1.334 20 0 GDADHL Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740040612 602115291 /nfs/dbraw/zinc/11/52/91/602115291.db2.gz CAYSRJMMGSODOY-UHFFFAOYSA-N -2 3 397.399 1.334 20 0 GDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOC[C@H]2CCOC2)c(Br)o1 ZINC000833304447 602154783 /nfs/dbraw/zinc/15/47/83/602154783.db2.gz KTSCGZCHVBXHOI-QMMMGPOBSA-N -2 3 398.231 1.072 20 0 GDADHL Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000833019664 602154903 /nfs/dbraw/zinc/15/49/03/602154903.db2.gz CFBYYYHRUVKORQ-UHFFFAOYSA-N -2 3 393.215 1.866 20 0 GDADHL C[C@@H]([N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)c1noc(-c2ccccc2)n1 ZINC000827768510 602173140 /nfs/dbraw/zinc/17/31/40/602173140.db2.gz UBNXLAUYTLDPCX-SNVBAGLBSA-N -2 3 377.382 1.057 20 0 GDADHL CCN(CCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000739434574 602472616 /nfs/dbraw/zinc/47/26/16/602472616.db2.gz RIPXSFCEXIHBCH-UHFFFAOYSA-N -2 3 389.449 1.632 20 0 GDADHL O=C([O-])Nc1ccc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c([O-])c1 ZINC000740698340 602861812 /nfs/dbraw/zinc/86/18/12/602861812.db2.gz GEEDQBLCKBXHFR-GOSISDBHSA-N -2 3 385.420 1.974 20 0 GDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])cc1OC ZINC000739517666 603027587 /nfs/dbraw/zinc/02/75/87/603027587.db2.gz ZYJJOWUJUHZWFP-RYUDHWBXSA-N -2 3 385.442 1.832 20 0 GDADHL Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826328777 607604480 /nfs/dbraw/zinc/60/44/80/607604480.db2.gz CNTGPUYRUCHYRD-UHFFFAOYSA-N -2 3 394.395 1.303 20 0 GDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCN(C(=O)[O-])C2)cc1Cl ZINC000736157009 603240071 /nfs/dbraw/zinc/24/00/71/603240071.db2.gz ABSCNTBXCKCBNR-VIFPVBQESA-N -2 3 393.824 1.858 20 0 GDADHL O=S(=O)([N-][C@H](CO)c1ccc(F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487286 607640029 /nfs/dbraw/zinc/64/00/29/607640029.db2.gz JUOMYBJEKFLERF-CYBMUJFWSA-N -2 3 399.354 1.296 20 0 GDADHL Cc1nc(C)c(CC(=O)OC[C@@]2(C(F)(F)F)CCN(C(=O)[O-])C2)c(=O)[n-]1 ZINC000830716006 603683575 /nfs/dbraw/zinc/68/35/75/603683575.db2.gz MQIBMHWBSJWING-CQSZACIVSA-N -2 3 377.319 1.817 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)[O-])ccc1F ZINC000828578861 603753205 /nfs/dbraw/zinc/75/32/05/603753205.db2.gz FLMTYJHXZSEEDZ-ZWNOBZJWSA-N -2 3 387.433 1.385 20 0 GDADHL O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000832466295 603850154 /nfs/dbraw/zinc/85/01/54/603850154.db2.gz JLHCJDJESLUPCO-UKRRQHHQSA-N -2 3 390.440 1.296 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000826112350 607669475 /nfs/dbraw/zinc/66/94/75/607669475.db2.gz YHWQCASGTSEPFB-AWEZNQCLSA-N -2 3 391.384 1.198 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000826112350 607669477 /nfs/dbraw/zinc/66/94/77/607669477.db2.gz YHWQCASGTSEPFB-AWEZNQCLSA-N -2 3 391.384 1.198 20 0 GDADHL CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000215870193 604461212 /nfs/dbraw/zinc/46/12/12/604461212.db2.gz LDWIXDPLVZUTRT-ZETCQYMHSA-N -2 3 382.232 1.976 20 0 GDADHL O=C([O-])N1CC(NC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)C1 ZINC000833154146 604604883 /nfs/dbraw/zinc/60/48/83/604604883.db2.gz TUMFSNCGDZBJME-UHFFFAOYSA-N -2 3 396.831 1.768 20 0 GDADHL CCCc1nccn1Cc1nc(=O)c2c(CC(=O)[O-])c(C(=O)OC)sc2[n-]1 ZINC000829573709 604631113 /nfs/dbraw/zinc/63/11/13/604631113.db2.gz DZVDYMQXSBDRQO-UHFFFAOYSA-N -2 3 390.421 1.596 20 0 GDADHL CCCCC[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000829340374 604811491 /nfs/dbraw/zinc/81/14/91/604811491.db2.gz OLBFYYOZZLOTAQ-CYBMUJFWSA-N -2 3 396.462 1.509 20 0 GDADHL CCc1nc2ccccc2n1CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833677291 605037083 /nfs/dbraw/zinc/03/70/83/605037083.db2.gz LCQASIIXOSQMEH-UHFFFAOYSA-N -2 3 380.451 1.732 20 0 GDADHL O=C([O-])N1CCC[C@H]1CCC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000833995683 605507326 /nfs/dbraw/zinc/50/73/26/605507326.db2.gz PDMKEYIPLMAWMP-AWEZNQCLSA-N -2 3 375.425 1.599 20 0 GDADHL O=C([O-])N[C@@H](CC(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1 ZINC000832113442 605560427 /nfs/dbraw/zinc/56/04/27/605560427.db2.gz CZAVSSKWAWLYBG-LBPRGKRZSA-N -2 3 376.390 1.947 20 0 GDADHL O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000834029890 605609788 /nfs/dbraw/zinc/60/97/88/605609788.db2.gz QFKJSCYOVQCARL-DZGCQCFKSA-N -2 3 375.425 1.503 20 0 GDADHL O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000831403090 605882581 /nfs/dbraw/zinc/88/25/81/605882581.db2.gz RSGZBKGJZVTCPA-ZDUSSCGKSA-N -2 3 393.465 1.162 20 0 GDADHL O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000834161205 606007750 /nfs/dbraw/zinc/00/77/50/606007750.db2.gz OOFVEYUWUHIPOE-HFZWIWRYSA-N -2 3 375.425 1.453 20 0 GDADHL O=C([O-])N[C@@H]1CCc2ncc(NC=C3C(=O)[N-]C(=O)c4ccccc43)cc2C1 ZINC000834192543 606076155 /nfs/dbraw/zinc/07/61/55/606076155.db2.gz FKQXIGWAUUPHFK-HMHNVIDESA-N -2 3 378.388 1.930 20 0 GDADHL COC(=O)C=Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000821657125 606180750 /nfs/dbraw/zinc/18/07/50/606180750.db2.gz IJWPLNOQKRTAST-WTKPLQERSA-N -2 3 386.393 1.249 20 0 GDADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1F ZINC000822184498 606211750 /nfs/dbraw/zinc/21/17/50/606211750.db2.gz VXVMVQGZDHPOOG-UHFFFAOYSA-N -3 3 393.356 1.519 20 0 GDADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1C(=O)[O-] ZINC000822195024 606337299 /nfs/dbraw/zinc/33/72/99/606337299.db2.gz DPLZIDNTZONQJT-UHFFFAOYSA-N -3 3 389.393 1.688 20 0 GDADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000822645773 606411485 /nfs/dbraw/zinc/41/14/85/606411485.db2.gz OGHNXOOCBBVMDR-UHFFFAOYSA-N -2 3 380.817 1.118 20 0 GDADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000822645773 606411486 /nfs/dbraw/zinc/41/14/86/606411486.db2.gz OGHNXOOCBBVMDR-UHFFFAOYSA-N -2 3 380.817 1.118 20 0 GDADHL COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N-]S(C)(=O)=O ZINC000821835997 606523749 /nfs/dbraw/zinc/52/37/49/606523749.db2.gz WVRLWIRXZZUPLJ-UHFFFAOYSA-N -2 3 394.438 1.561 20 0 GDADHL CCn1cnc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000821566500 606591216 /nfs/dbraw/zinc/59/12/16/606591216.db2.gz HHTHFKKEELFZLU-UHFFFAOYSA-N -2 3 377.430 1.671 20 0 GDADHL Cn1ccc([N-]S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)n1 ZINC000822689592 606637587 /nfs/dbraw/zinc/63/75/87/606637587.db2.gz NUQUQZICGXDCPF-UHFFFAOYSA-N -2 3 384.219 1.164 20 0 GDADHL Cn1ccc([N-]S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)n1 ZINC000822689592 606637588 /nfs/dbraw/zinc/63/75/88/606637588.db2.gz NUQUQZICGXDCPF-UHFFFAOYSA-N -2 3 384.219 1.164 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n(-c2ncccn2)n1 ZINC000822209322 606696027 /nfs/dbraw/zinc/69/60/27/606696027.db2.gz CUNSGFYDTIVBBB-UHFFFAOYSA-N -2 3 397.424 1.260 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n(-c2ncccn2)n1 ZINC000822209322 606696028 /nfs/dbraw/zinc/69/60/28/606696028.db2.gz CUNSGFYDTIVBBB-UHFFFAOYSA-N -2 3 397.424 1.260 20 0 GDADHL O=C(Cc1cccc(F)c1F)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823112079 606704411 /nfs/dbraw/zinc/70/44/11/606704411.db2.gz RXEKYJAOBYDZHK-UHFFFAOYSA-N -2 3 393.375 1.334 20 0 GDADHL O=C(Cc1cccc(F)c1F)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823112079 606704412 /nfs/dbraw/zinc/70/44/12/606704412.db2.gz RXEKYJAOBYDZHK-UHFFFAOYSA-N -2 3 393.375 1.334 20 0 GDADHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000822224828 606711462 /nfs/dbraw/zinc/71/14/62/606711462.db2.gz BUZMTJQSVGASBE-UHFFFAOYSA-N -2 3 398.246 1.472 20 0 GDADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000821589540 606752339 /nfs/dbraw/zinc/75/23/39/606752339.db2.gz SANCAIHAJASYBI-UHFFFAOYSA-N -2 3 384.425 1.610 20 0 GDADHL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822288983 606864680 /nfs/dbraw/zinc/86/46/80/606864680.db2.gz OKMMYVSFOLJTQD-UHFFFAOYSA-N -2 3 394.363 1.353 20 0 GDADHL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822288983 606864681 /nfs/dbraw/zinc/86/46/81/606864681.db2.gz OKMMYVSFOLJTQD-UHFFFAOYSA-N -2 3 394.363 1.353 20 0 GDADHL Cc1cc(F)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000822201895 606887017 /nfs/dbraw/zinc/88/70/17/606887017.db2.gz ALWILCPKJBWUHT-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL Cc1cc(F)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000822201895 606887019 /nfs/dbraw/zinc/88/70/19/606887019.db2.gz ALWILCPKJBWUHT-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL CC(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820046856 606892808 /nfs/dbraw/zinc/89/28/08/606892808.db2.gz VDDKBYRYGYCLFJ-RNCFNFMXSA-N -2 3 387.412 1.484 20 0 GDADHL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822203214 606899325 /nfs/dbraw/zinc/89/93/25/606899325.db2.gz JHEBGMXZYYLMBU-UHFFFAOYSA-N -2 3 391.384 1.198 20 0 GDADHL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822203214 606899326 /nfs/dbraw/zinc/89/93/26/606899326.db2.gz JHEBGMXZYYLMBU-UHFFFAOYSA-N -2 3 391.384 1.198 20 0 GDADHL O=C([O-])Cn1c(C=Cc2cc(-c3nnn[n-]3)cs2)nc2ccccc2c1=O ZINC000823387502 606977763 /nfs/dbraw/zinc/97/77/63/606977763.db2.gz MYPNKARKPBYEMP-WAYWQWQTSA-N -2 3 380.389 1.893 20 0 GDADHL O=C([O-])Cn1c(C=Cc2cc(-c3nn[n-]n3)cs2)nc2ccccc2c1=O ZINC000823387502 606977765 /nfs/dbraw/zinc/97/77/65/606977765.db2.gz MYPNKARKPBYEMP-WAYWQWQTSA-N -2 3 380.389 1.893 20 0 GDADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1ccsc1 ZINC000823061017 607094270 /nfs/dbraw/zinc/09/42/70/607094270.db2.gz RZLZPXQGPCPNBV-UHFFFAOYSA-N -2 3 395.491 1.667 20 0 GDADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ccsc1 ZINC000823061017 607094271 /nfs/dbraw/zinc/09/42/71/607094271.db2.gz RZLZPXQGPCPNBV-UHFFFAOYSA-N -2 3 395.491 1.667 20 0 GDADHL O=C([N-]OCC(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823285078 607097411 /nfs/dbraw/zinc/09/74/11/607097411.db2.gz MYCKVJNIABFIAY-UHFFFAOYSA-N -2 3 398.223 1.434 20 0 GDADHL O=C([N-]OCC(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823285078 607097412 /nfs/dbraw/zinc/09/74/12/607097412.db2.gz MYCKVJNIABFIAY-UHFFFAOYSA-N -2 3 398.223 1.434 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000820541893 607103863 /nfs/dbraw/zinc/10/38/63/607103863.db2.gz JQEYSZXWPYZGPC-CWTRNNRKSA-N -2 3 381.392 1.750 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000820541893 607103864 /nfs/dbraw/zinc/10/38/64/607103864.db2.gz JQEYSZXWPYZGPC-CWTRNNRKSA-N -2 3 381.392 1.750 20 0 GDADHL Cc1oc(CN(C)C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1C(=O)[O-] ZINC000822540945 607108839 /nfs/dbraw/zinc/10/88/39/607108839.db2.gz HQFBCYQIYXYPRU-NSHDSACASA-N -2 3 385.380 1.892 20 0 GDADHL Cc1oc(CN(C)C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1C(=O)[O-] ZINC000822540945 607108843 /nfs/dbraw/zinc/10/88/43/607108843.db2.gz HQFBCYQIYXYPRU-NSHDSACASA-N -2 3 385.380 1.892 20 0 GDADHL Cc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C(=O)[O-])cc1 ZINC000822230522 607111136 /nfs/dbraw/zinc/11/11/36/607111136.db2.gz JETUOAFNMBTRLZ-CJNGLKHVSA-N -2 3 395.419 1.927 20 0 GDADHL Cc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C(=O)[O-])cc1 ZINC000822230522 607111137 /nfs/dbraw/zinc/11/11/37/607111137.db2.gz JETUOAFNMBTRLZ-CJNGLKHVSA-N -2 3 395.419 1.927 20 0 GDADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822553673 607172165 /nfs/dbraw/zinc/17/21/65/607172165.db2.gz OLXUGJOLZSVMSU-UHFFFAOYSA-N -2 3 398.857 1.790 20 0 GDADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822553673 607172166 /nfs/dbraw/zinc/17/21/66/607172166.db2.gz OLXUGJOLZSVMSU-UHFFFAOYSA-N -2 3 398.857 1.790 20 0 GDADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000821635240 607207426 /nfs/dbraw/zinc/20/74/26/607207426.db2.gz SGVGPEMTSPAMJO-UHFFFAOYSA-N -2 3 392.828 1.681 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450431 607776905 /nfs/dbraw/zinc/77/69/05/607776905.db2.gz MAOUZOUZNFAMMA-UHFFFAOYSA-N -2 3 386.315 1.332 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450431 607776906 /nfs/dbraw/zinc/77/69/06/607776906.db2.gz MAOUZOUZNFAMMA-UHFFFAOYSA-N -2 3 386.315 1.332 20 0 GDADHL CCc1ccc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1C(=O)[O-] ZINC000825718085 607933319 /nfs/dbraw/zinc/93/33/19/607933319.db2.gz VIGUZBPHTDJFSS-UHFFFAOYSA-N -2 3 399.432 1.879 20 0 GDADHL CCc1ccc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1C(=O)[O-] ZINC000825718085 607933320 /nfs/dbraw/zinc/93/33/20/607933320.db2.gz VIGUZBPHTDJFSS-UHFFFAOYSA-N -2 3 399.432 1.879 20 0 GDADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824384320 608010413 /nfs/dbraw/zinc/01/04/13/608010413.db2.gz AARGHPJEJDVIPP-ZCFIWIBFSA-N -2 3 379.320 1.027 20 0 GDADHL O=C([O-])c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826461719 608010755 /nfs/dbraw/zinc/01/07/55/608010755.db2.gz DUYQYONWBMCHLI-UHFFFAOYSA-N -2 3 377.357 1.183 20 0 GDADHL O=C([O-])c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826461719 608010756 /nfs/dbraw/zinc/01/07/56/608010756.db2.gz DUYQYONWBMCHLI-UHFFFAOYSA-N -2 3 377.357 1.183 20 0 GDADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824153006 608011027 /nfs/dbraw/zinc/01/10/27/608011027.db2.gz XQSIFULHHOVNQE-UHFFFAOYSA-N -3 3 375.357 1.067 20 0 GDADHL Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824858916 608047233 /nfs/dbraw/zinc/04/72/33/608047233.db2.gz MRFOFNCVSOYZGR-INIZCTEOSA-N -2 3 375.392 1.840 20 0 GDADHL Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824858916 608047234 /nfs/dbraw/zinc/04/72/34/608047234.db2.gz MRFOFNCVSOYZGR-INIZCTEOSA-N -2 3 375.392 1.840 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000826249653 608146211 /nfs/dbraw/zinc/14/62/11/608146211.db2.gz NCRXNWDVTICJHG-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000826249653 608146212 /nfs/dbraw/zinc/14/62/12/608146212.db2.gz NCRXNWDVTICJHG-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000826421943 608146499 /nfs/dbraw/zinc/14/64/99/608146499.db2.gz GNWAIOFWDBSLQE-UHFFFAOYSA-N -2 3 375.385 1.195 20 0 GDADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000826421943 608146500 /nfs/dbraw/zinc/14/65/00/608146500.db2.gz GNWAIOFWDBSLQE-UHFFFAOYSA-N -2 3 375.385 1.195 20 0 GDADHL CN1c2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)c3cccc(c23)C1=O ZINC000826018240 608305229 /nfs/dbraw/zinc/30/52/29/608305229.db2.gz SIIOPISBLLQTCX-UHFFFAOYSA-N -2 3 396.392 1.134 20 0 GDADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824377922 608455326 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386.437 1.203 20 0 GDADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000822645520 606406528 /nfs/dbraw/zinc/40/65/28/606406528.db2.gz BGBCMKKWQQKLDZ-UHFFFAOYSA-N -2 3 386.437 1.203 20 0 GDADHL COC(=O)c1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cn1C ZINC000821668204 606591012 /nfs/dbraw/zinc/59/10/12/606591012.db2.gz UYKOGCVQKALECA-UHFFFAOYSA-N -2 3 376.398 1.101 20 0 GDADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820076381 606709016 /nfs/dbraw/zinc/70/90/16/606709016.db2.gz JGGXSYRTCYBDEM-UHFFFAOYSA-N -2 3 391.457 1.826 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823285428 606747078 /nfs/dbraw/zinc/74/70/78/606747078.db2.gz SYVAWDOHKNCHIU-GOEBONIOSA-N -2 3 383.433 1.550 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000823285428 606747080 /nfs/dbraw/zinc/74/70/80/606747080.db2.gz SYVAWDOHKNCHIU-GOEBONIOSA-N -2 3 383.433 1.550 20 0 GDADHL 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391.434 1.558 20 0 GDADHL COCCCn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000736987798 599166725 /nfs/dbraw/zinc/16/67/25/599166725.db2.gz GKZKQJZVRGJYJY-UHFFFAOYSA-N -2 3 397.848 1.554 20 0 GDADHL COCCCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000736987798 599166727 /nfs/dbraw/zinc/16/67/27/599166727.db2.gz GKZKQJZVRGJYJY-UHFFFAOYSA-N -2 3 397.848 1.554 20 0 GDADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000737853365 598332119 /nfs/dbraw/zinc/33/21/19/598332119.db2.gz KXYAFSPFOBWNQW-UHFFFAOYSA-N -2 3 398.448 1.223 20 0 GDADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000737853365 598332121 /nfs/dbraw/zinc/33/21/21/598332121.db2.gz KXYAFSPFOBWNQW-UHFFFAOYSA-N -2 3 398.448 1.223 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)o1 ZINC000738140780 598332271 /nfs/dbraw/zinc/33/22/71/598332271.db2.gz WQIFRSCVDLKXOC-UHFFFAOYSA-N -2 3 398.198 1.341 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)o1 ZINC000738140780 598332273 /nfs/dbraw/zinc/33/22/73/598332273.db2.gz WQIFRSCVDLKXOC-UHFFFAOYSA-N -2 3 398.198 1.341 20 0 GDADHL O=S(=O)([N-]c1ncn(Cc2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738339614 598333737 /nfs/dbraw/zinc/33/37/37/598333737.db2.gz OICGNHQWGSOFAV-UHFFFAOYSA-N -2 3 382.409 1.307 20 0 GDADHL O=S(=O)([N-]c1ncn(Cc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738339614 598333739 /nfs/dbraw/zinc/33/37/39/598333739.db2.gz OICGNHQWGSOFAV-UHFFFAOYSA-N -2 3 382.409 1.307 20 0 GDADHL CO[C@](C)(C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736956834 598414765 /nfs/dbraw/zinc/41/47/65/598414765.db2.gz KXHNHIWCVGERHY-KRWDZBQOSA-N -2 3 387.421 1.233 20 0 GDADHL CO[C@](C)(C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736956834 598414767 /nfs/dbraw/zinc/41/47/67/598414767.db2.gz KXHNHIWCVGERHY-KRWDZBQOSA-N -2 3 387.421 1.233 20 0 GDADHL O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1ccc(-c2nn[n-]n2)cn1 ZINC000738206873 598456936 /nfs/dbraw/zinc/45/69/36/598456936.db2.gz HRGKRBHBWGQTMA-UHFFFAOYSA-N -2 3 394.420 1.296 20 0 GDADHL CC(=O)Nc1ccc(S([O-])=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735488992 598490488 /nfs/dbraw/zinc/49/04/88/598490488.db2.gz RRLMGTULWLARLR-MUUNZHRXSA-N -2 3 398.448 1.249 20 0 GDADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)cc1C(=O)[O-] ZINC000736651881 598499761 /nfs/dbraw/zinc/49/97/61/598499761.db2.gz RATKOBPRZKJPNU-UHFFFAOYSA-N -2 3 389.393 1.764 20 0 GDADHL Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)c1n[nH]c(=O)[n-]1 ZINC000737280313 598555659 /nfs/dbraw/zinc/55/56/59/598555659.db2.gz PXCDBTKSJWWJML-UHFFFAOYSA-N -2 3 392.379 1.830 20 0 GDADHL Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)c1n[nH]c(=O)[n-]1 ZINC000737280313 598555660 /nfs/dbraw/zinc/55/56/60/598555660.db2.gz PXCDBTKSJWWJML-UHFFFAOYSA-N -2 3 392.379 1.830 20 0 GDADHL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000737054835 598593031 /nfs/dbraw/zinc/59/30/31/598593031.db2.gz XOXMSBNOKHLVQH-UHFFFAOYSA-N -2 3 397.363 1.963 20 0 GDADHL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000737054835 598593033 /nfs/dbraw/zinc/59/30/33/598593033.db2.gz XOXMSBNOKHLVQH-UHFFFAOYSA-N -2 3 397.363 1.963 20 0 GDADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821772819 599306118 /nfs/dbraw/zinc/30/61/18/599306118.db2.gz RCJTZLBMUOVFIZ-UHFFFAOYSA-N -3 3 393.356 1.513 20 0 GDADHL O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823557443 599307140 /nfs/dbraw/zinc/30/71/40/599307140.db2.gz LAXWIFITOICHNR-SECBINFHSA-N -2 3 377.348 1.806 20 0 GDADHL Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000738936944 599753372 /nfs/dbraw/zinc/75/33/72/599753372.db2.gz QKNDJSOYPFTTQO-UHFFFAOYSA-N -2 3 383.386 1.670 20 0 GDADHL O=C([O-])CCNC(=O)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000739741456 599766698 /nfs/dbraw/zinc/76/66/98/599766698.db2.gz MUVJMPKYTWVWAW-UHFFFAOYSA-N -2 3 379.372 1.985 20 0 GDADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)N2CCOCC2)o1 ZINC000738570430 599767911 /nfs/dbraw/zinc/76/79/11/599767911.db2.gz SNGSVSMUSQLIAP-LBPRGKRZSA-N -2 3 384.410 1.231 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)N2CCCC2)o1 ZINC000740174460 599777138 /nfs/dbraw/zinc/77/71/38/599777138.db2.gz ZPGCRINTGLHEDU-CQSZACIVSA-N -2 3 392.433 1.490 20 0 GDADHL CCOc1ccc(C[C@@H](CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])cc1 ZINC000737198169 599809190 /nfs/dbraw/zinc/80/91/90/599809190.db2.gz CFOPRWMZAQAGEW-AWEZNQCLSA-N -2 3 396.399 1.642 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000826249828 607401013 /nfs/dbraw/zinc/40/10/13/607401013.db2.gz WWSXGNRYVQDMFN-UHFFFAOYSA-N -2 3 378.801 1.342 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000826249828 607401015 /nfs/dbraw/zinc/40/10/15/607401015.db2.gz WWSXGNRYVQDMFN-UHFFFAOYSA-N -2 3 378.801 1.342 20 0 GDADHL CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000517923153 599854126 /nfs/dbraw/zinc/85/41/26/599854126.db2.gz IPFWSDPXTGQFIN-UHFFFAOYSA-N -2 3 378.406 1.701 20 0 GDADHL O=C([O-])c1cc(S(=O)(=O)[N-]N=c2nccc[nH]2)c(Br)cc1F ZINC000740086948 599924310 /nfs/dbraw/zinc/92/43/10/599924310.db2.gz DJEVDDWZGLZYJW-UHFFFAOYSA-N -2 3 391.178 1.382 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)ccc1C(=O)[O-] ZINC000476737817 599924975 /nfs/dbraw/zinc/92/49/75/599924975.db2.gz JRVHHDARMPDJEW-UHFFFAOYSA-N -3 3 393.373 1.963 20 0 GDADHL CCN(CC(=O)[O-])C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000737070217 600025482 /nfs/dbraw/zinc/02/54/82/600025482.db2.gz NUAGZXGKNOXGHG-UHFFFAOYSA-N -2 3 383.253 1.595 20 0 GDADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000738546222 600177226 /nfs/dbraw/zinc/17/72/26/600177226.db2.gz NSGLOVZELDLPSB-UHFFFAOYSA-N -4 3 379.346 1.890 20 0 GDADHL CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000523833343 600210954 /nfs/dbraw/zinc/21/09/54/600210954.db2.gz YDBSEFYOTBSGHE-UHFFFAOYSA-N -2 3 387.410 1.869 20 0 GDADHL Cc1nc(CN2CCC(C[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2)oc1C ZINC000738855916 600350218 /nfs/dbraw/zinc/35/02/18/600350218.db2.gz YYYBZBMPPBMQES-UHFFFAOYSA-N -2 3 397.453 1.773 20 0 GDADHL CN(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000830596594 600829922 /nfs/dbraw/zinc/82/99/22/600829922.db2.gz VJYMCYSJDKJSII-UHFFFAOYSA-N -2 3 383.451 1.747 20 0 GDADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000833239813 600831628 /nfs/dbraw/zinc/83/16/28/600831628.db2.gz MLUIGUDOLQLKOB-UHFFFAOYSA-N -3 3 381.362 1.745 20 0 GDADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)c1 ZINC000740074860 600887778 /nfs/dbraw/zinc/88/77/78/600887778.db2.gz FAHFILVKPSPUID-UHFFFAOYSA-N -2 3 379.785 1.815 20 0 GDADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(=O)[O-] ZINC000645946188 601215026 /nfs/dbraw/zinc/21/50/26/601215026.db2.gz MJUIKIBINYVJPR-VIFPVBQESA-N -2 3 387.435 1.729 20 0 GDADHL COc1cccc(N2CC[C@@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)C2)c1 ZINC000832561913 601220731 /nfs/dbraw/zinc/22/07/31/601220731.db2.gz FXWNZEWGTSBEOQ-GFCCVEGCSA-N -2 3 380.422 1.852 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(OC)cc2)oc1C ZINC000831343689 601220946 /nfs/dbraw/zinc/22/09/46/601220946.db2.gz SHEZVBOPKRGSNH-AWEZNQCLSA-N -2 3 383.378 1.487 20 0 GDADHL Cc1oc(S(=O)(=O)[N-]Cc2cc(F)ccc2N2CCOCC2)cc1C(=O)[O-] ZINC000833027895 601222840 /nfs/dbraw/zinc/22/28/40/601222840.db2.gz ZSPLCBVLKIDQEZ-UHFFFAOYSA-N -2 3 398.412 1.740 20 0 GDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCn2cnc3ccccc32)c1F ZINC000833294233 601233125 /nfs/dbraw/zinc/23/31/25/601233125.db2.gz OEGPMIMJHQYLNO-UHFFFAOYSA-N -2 3 381.360 1.991 20 0 GDADHL CN(C)C(=O)C1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCC1 ZINC000830542452 601236049 /nfs/dbraw/zinc/23/60/49/601236049.db2.gz BOAVJFMXINKGDY-UHFFFAOYSA-N -2 3 390.408 1.590 20 0 GDADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000831071986 601255931 /nfs/dbraw/zinc/25/59/31/601255931.db2.gz HPVLWAFTQLPMPG-ZCFIWIBFSA-N -2 3 386.245 1.114 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccc(C(=O)[O-])cc2)c(C)o1 ZINC000565458553 601285370 /nfs/dbraw/zinc/28/53/70/601285370.db2.gz MVANPPZKENNRNP-UHFFFAOYSA-N -2 3 382.394 1.003 20 0 GDADHL Cn1cc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1C(=O)[O-] ZINC000833048686 601317015 /nfs/dbraw/zinc/31/70/15/601317015.db2.gz CFWOAHKYGJHVAH-UHFFFAOYSA-N -2 3 399.375 1.695 20 0 GDADHL O=C([O-])[C@@]1(F)CCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000833354047 601712262 /nfs/dbraw/zinc/71/22/62/601712262.db2.gz FXKUIAIBGKLIPM-OAHLLOKOSA-N -2 3 392.355 1.044 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2-n2ccnn2)c1-c1nnn[n-]1 ZINC000826303929 607534352 /nfs/dbraw/zinc/53/43/52/607534352.db2.gz MYRDHUYBYPKWJP-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2-n2ccnn2)c1-c1nn[n-]n1 ZINC000826303929 607534353 /nfs/dbraw/zinc/53/43/53/607534353.db2.gz MYRDHUYBYPKWJP-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)c1-c1nnn[n-]1 ZINC000826303973 607534647 /nfs/dbraw/zinc/53/46/47/607534647.db2.gz PKQIXGALOQQITL-UHFFFAOYSA-N -2 3 398.448 1.868 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)c1-c1nn[n-]n1 ZINC000826303973 607534648 /nfs/dbraw/zinc/53/46/48/607534648.db2.gz PKQIXGALOQQITL-UHFFFAOYSA-N -2 3 398.448 1.868 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1-c1nnn[n-]1 ZINC000826303751 607536363 /nfs/dbraw/zinc/53/63/63/607536363.db2.gz CXLXYMMFUNUMBA-XMMPIXPASA-N -2 3 377.451 1.713 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)c1-c1nn[n-]n1 ZINC000826303751 607536365 /nfs/dbraw/zinc/53/63/65/607536365.db2.gz CXLXYMMFUNUMBA-XMMPIXPASA-N -2 3 377.451 1.713 20 0 GDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCCN(C(=O)[O-])C1CC1 ZINC000740206296 602028092 /nfs/dbraw/zinc/02/80/92/602028092.db2.gz GJZGYAVCKLGGKS-UHFFFAOYSA-N -2 3 385.424 1.332 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])ccc1F ZINC000831029185 602053478 /nfs/dbraw/zinc/05/34/78/602053478.db2.gz JWZHRQPXCYIMGF-GXTWGEPZSA-N -2 3 386.445 1.887 20 0 GDADHL C[C@@H](CC(=O)NC1(CC(=O)[O-])CCC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000827235392 602193113 /nfs/dbraw/zinc/19/31/13/602193113.db2.gz UDBUMNLTHOMXJJ-JTQLQIEISA-N -2 3 389.861 1.306 20 0 GDADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc4[nH]nnc4c3)cc2)[n-]1 ZINC000833266269 602194072 /nfs/dbraw/zinc/19/40/72/602194072.db2.gz KZFFVDQLHAFERU-UHFFFAOYSA-N -2 3 378.348 1.316 20 0 GDADHL CC[C@H](CCO)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000828878932 602210102 /nfs/dbraw/zinc/21/01/02/602210102.db2.gz HBUFJHVSRDOGLT-MRVPVSSYSA-N -2 3 398.250 1.973 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1OCCc2ccccc21 ZINC000826449990 607560034 /nfs/dbraw/zinc/56/00/34/607560034.db2.gz RXJLUIYMRUIZSY-INIZCTEOSA-N -2 3 399.432 1.127 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1OCCc2ccccc21 ZINC000826449990 607560036 /nfs/dbraw/zinc/56/00/36/607560036.db2.gz RXJLUIYMRUIZSY-INIZCTEOSA-N -2 3 399.432 1.127 20 0 GDADHL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000740689477 602405400 /nfs/dbraw/zinc/40/54/00/602405400.db2.gz VJVNUVRRRAPGNN-SFHVURJKSA-N -2 3 397.431 1.556 20 0 GDADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000740234617 602692772 /nfs/dbraw/zinc/69/27/72/602692772.db2.gz VKDGVMJJKZWRQH-BXUZGUMPSA-N -2 3 375.429 1.631 20 0 GDADHL CC(C)N(CCC[N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000824346399 603112821 /nfs/dbraw/zinc/11/28/21/603112821.db2.gz HJOOTJCPTIUIOL-UHFFFAOYSA-N -2 3 380.264 1.901 20 0 GDADHL C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000739199606 603117025 /nfs/dbraw/zinc/11/70/25/603117025.db2.gz VQEXZYCTYRQWRT-WFASDCNBSA-N -2 3 391.424 1.180 20 0 GDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)c1cccs1 ZINC000826111652 607613387 /nfs/dbraw/zinc/61/33/87/607613387.db2.gz JGFZLHRTBINTNV-CYBMUJFWSA-N -2 3 393.450 1.429 20 0 GDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)c1cccs1 ZINC000826111652 607613388 /nfs/dbraw/zinc/61/33/88/607613388.db2.gz JGFZLHRTBINTNV-CYBMUJFWSA-N -2 3 393.450 1.429 20 0 GDADHL COC(=O)Cc1nc(NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)n[n-]1 ZINC000739768245 603208821 /nfs/dbraw/zinc/20/88/21/603208821.db2.gz KQCABADLSKTRRO-UHFFFAOYSA-N -2 3 387.396 1.171 20 0 GDADHL Cc1nc(SCC(=O)[N-]OCc2cccnc2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327384 607634246 /nfs/dbraw/zinc/63/42/46/607634246.db2.gz FRXWNRRBNVWFKL-UHFFFAOYSA-N -2 3 385.453 1.922 20 0 GDADHL Cc1nc(SCC(=O)[N-]OCc2cccnc2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327384 607634248 /nfs/dbraw/zinc/63/42/48/607634248.db2.gz FRXWNRRBNVWFKL-UHFFFAOYSA-N -2 3 385.453 1.922 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2CN(C)C(=O)[O-])c(C)o1 ZINC000828579670 603530257 /nfs/dbraw/zinc/53/02/57/603530257.db2.gz OXNZDWVLVGZJFS-UHFFFAOYSA-N -2 3 381.410 1.858 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)ccc1F ZINC000828579244 603754893 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COc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(OC)n1 ZINC000821838910 606861607 /nfs/dbraw/zinc/86/16/07/606861607.db2.gz REXZCYLZGXEITG-UHFFFAOYSA-N -2 3 398.351 1.358 20 0 GDADHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000819826014 606863737 /nfs/dbraw/zinc/86/37/37/606863737.db2.gz CLBRUASYSPXNLU-UHFFFAOYSA-N -2 3 394.363 1.904 20 0 GDADHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000819826014 606863739 /nfs/dbraw/zinc/86/37/39/606863739.db2.gz CLBRUASYSPXNLU-UHFFFAOYSA-N -2 3 394.363 1.904 20 0 GDADHL COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821670002 606864500 /nfs/dbraw/zinc/86/45/00/606864500.db2.gz IJDGMUGMYUJJDG-UHFFFAOYSA-N -2 3 395.347 1.732 20 0 GDADHL COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821670002 606864502 /nfs/dbraw/zinc/86/45/02/606864502.db2.gz IJDGMUGMYUJJDG-UHFFFAOYSA-N -2 3 395.347 1.732 20 0 GDADHL O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823588866 606865230 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381.458 1.516 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000820541891 607103529 /nfs/dbraw/zinc/10/35/29/607103529.db2.gz JQEYSZXWPYZGPC-BLVKFPJESA-N -2 3 381.392 1.750 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000820541891 607103531 /nfs/dbraw/zinc/10/35/31/607103531.db2.gz JQEYSZXWPYZGPC-BLVKFPJESA-N -2 3 381.392 1.750 20 0 GDADHL COc1cc(C(=O)[O-])cc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1OC ZINC000821702800 607107025 /nfs/dbraw/zinc/10/70/25/607107025.db2.gz ATJGSFDGNGOFFC-UHFFFAOYSA-N -2 3 399.363 1.600 20 0 GDADHL Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(Br)c1 ZINC000826318819 607816212 /nfs/dbraw/zinc/81/62/12/607816212.db2.gz APXNKKIHGHEQFD-UHFFFAOYSA-N -2 3 396.230 1.528 20 0 GDADHL Cc1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1-c1nnn[n-]1 ZINC000826302541 608010262 /nfs/dbraw/zinc/01/02/62/608010262.db2.gz MFFAJUXDXGVCLH-ZDUSSCGKSA-N -2 3 387.421 1.669 20 0 GDADHL 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PZTABSAVOGYJSD-UHFFFAOYSA-N -2 3 379.427 1.391 20 0 GDADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2sc(C)cc2C)c1 ZINC000821285555 655425585 /nfs/dbraw/zinc/42/55/85/655425585.db2.gz WUEXMCAXMGPQEJ-QHCPKHFHSA-N -2 3 387.504 1.986 20 0 GDADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000824024344 655470751 /nfs/dbraw/zinc/47/07/51/655470751.db2.gz AQTUVZGRWQODMN-UHFFFAOYSA-N -2 3 378.801 1.919 20 0 GDADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)s1 ZINC000824135889 655471971 /nfs/dbraw/zinc/47/19/71/655471971.db2.gz JTSOSZSIWUCQBN-UHFFFAOYSA-N -2 3 380.455 1.673 20 0 GDADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)s1 ZINC000824135889 655471972 /nfs/dbraw/zinc/47/19/72/655471972.db2.gz JTSOSZSIWUCQBN-UHFFFAOYSA-N -2 3 380.455 1.673 20 0 GDADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-])C1CC1 ZINC000848683500 655499381 /nfs/dbraw/zinc/49/93/81/655499381.db2.gz UYSBFCNPFAIILV-QWRGUYRKSA-N -2 3 383.253 1.935 20 0 GDADHL 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CCCCCCOCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736447595 598977827 /nfs/dbraw/zinc/97/78/27/598977827.db2.gz RKFPNMADCTZWGA-UHFFFAOYSA-N -2 3 381.458 1.577 20 0 GDADHL CCCCCCOCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736447595 598977828 /nfs/dbraw/zinc/97/78/28/598977828.db2.gz RKFPNMADCTZWGA-UHFFFAOYSA-N -2 3 381.458 1.577 20 0 GDADHL COC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000736930069 599029921 /nfs/dbraw/zinc/02/99/21/599029921.db2.gz FICYTYSGTLLSSW-UHFFFAOYSA-N -2 3 394.438 1.148 20 0 GDADHL COC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000736930069 599029922 /nfs/dbraw/zinc/02/99/22/599029922.db2.gz FICYTYSGTLLSSW-UHFFFAOYSA-N -2 3 394.438 1.148 20 0 GDADHL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736878230 599041835 /nfs/dbraw/zinc/04/18/35/599041835.db2.gz AALBZYRPNYVELZ-UHFFFAOYSA-N -2 3 386.437 1.644 20 0 GDADHL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736878230 599041836 /nfs/dbraw/zinc/04/18/36/599041836.db2.gz AALBZYRPNYVELZ-UHFFFAOYSA-N -2 3 386.437 1.644 20 0 GDADHL Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737215917 599197473 /nfs/dbraw/zinc/19/74/73/599197473.db2.gz OKHXEKPGZQOALH-RUZDIDTESA-N -2 3 392.466 1.249 20 0 GDADHL Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737215917 599197474 /nfs/dbraw/zinc/19/74/74/599197474.db2.gz OKHXEKPGZQOALH-RUZDIDTESA-N -2 3 392.466 1.249 20 0 GDADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000737062163 599236868 /nfs/dbraw/zinc/23/68/68/599236868.db2.gz HVLDNJJLXMTXOM-UHFFFAOYSA-N -2 3 393.400 1.835 20 0 GDADHL O=S(=O)([N-]c1ccc(Br)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344714 599237496 /nfs/dbraw/zinc/23/74/96/599237496.db2.gz GLVJYPCCYUHOGX-UHFFFAOYSA-N -2 3 399.205 1.964 20 0 GDADHL O=S(=O)([N-]c1ccc(Br)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738344714 599237499 /nfs/dbraw/zinc/23/74/99/599237499.db2.gz GLVJYPCCYUHOGX-UHFFFAOYSA-N -2 3 399.205 1.964 20 0 GDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000818985537 597097812 /nfs/dbraw/zinc/09/78/12/597097812.db2.gz JUWQYGIPRIBBSB-CQSZACIVSA-N -2 3 384.436 1.786 20 0 GDADHL CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000818229552 597535177 /nfs/dbraw/zinc/53/51/77/597535177.db2.gz XOUHLRUGORSLOU-UWVGGRQHSA-N -2 3 379.438 1.937 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(C2CCOCC2)n1 ZINC000822209574 607326762 /nfs/dbraw/zinc/32/67/62/607326762.db2.gz OKDYEYMASAEZEX-UHFFFAOYSA-N -2 3 389.441 1.524 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C2CCOCC2)n1 ZINC000822209574 607326763 /nfs/dbraw/zinc/32/67/63/607326763.db2.gz OKDYEYMASAEZEX-UHFFFAOYSA-N -2 3 389.441 1.524 20 0 GDADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737015944 598333067 /nfs/dbraw/zinc/33/30/67/598333067.db2.gz RMYZTIVCSOXKDN-UHFFFAOYSA-N -2 3 376.398 1.088 20 0 GDADHL O=C([O-])COc1ccc(C=C2N=C(c3ccc(-c4nnn[n-]4)cc3)OC2=O)cc1 ZINC000738212706 598380564 /nfs/dbraw/zinc/38/05/64/598380564.db2.gz YUEDDKIFVRGCAX-OQLLNIDSSA-N -2 3 391.343 1.675 20 0 GDADHL O=C([O-])COc1ccc(C=C2N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)cc1 ZINC000738212706 598380566 /nfs/dbraw/zinc/38/05/66/598380566.db2.gz YUEDDKIFVRGCAX-OQLLNIDSSA-N -2 3 391.343 1.675 20 0 GDADHL O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1sccc1-c1nnn[n-]1 ZINC000738218449 598425415 /nfs/dbraw/zinc/42/54/15/598425415.db2.gz FDIRDVNOVCTFIL-UHFFFAOYSA-N -2 3 390.406 1.107 20 0 GDADHL O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1sccc1-c1nn[n-]n1 ZINC000738218449 598425417 /nfs/dbraw/zinc/42/54/17/598425417.db2.gz FDIRDVNOVCTFIL-UHFFFAOYSA-N -2 3 390.406 1.107 20 0 GDADHL CCCCCCOCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736447035 598484918 /nfs/dbraw/zinc/48/49/18/598484918.db2.gz MKWJFMGJCMKNGJ-UHFFFAOYSA-N -2 3 381.458 1.410 20 0 GDADHL CCCCCCOCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736447035 598484920 /nfs/dbraw/zinc/48/49/20/598484920.db2.gz MKWJFMGJCMKNGJ-UHFFFAOYSA-N -2 3 381.458 1.410 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCc2sccc21 ZINC000823284136 607358325 /nfs/dbraw/zinc/35/83/25/607358325.db2.gz DJAKVGAMBOCMPM-ZDUSSCGKSA-N -2 3 389.462 1.853 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCc2sccc21 ZINC000823284136 607358327 /nfs/dbraw/zinc/35/83/27/607358327.db2.gz DJAKVGAMBOCMPM-ZDUSSCGKSA-N -2 3 389.462 1.853 20 0 GDADHL CSC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000821955739 607358410 /nfs/dbraw/zinc/35/84/10/607358410.db2.gz AKRYFPFXYUEEHY-PLNGDYQASA-N -2 3 393.372 1.567 20 0 GDADHL CSC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000821955739 607358411 /nfs/dbraw/zinc/35/84/11/607358411.db2.gz AKRYFPFXYUEEHY-PLNGDYQASA-N -2 3 393.372 1.567 20 0 GDADHL O=S(=O)([N-]c1cnc(-c2cccc(O)c2)nc1)c1ccccc1-c1nnn[n-]1 ZINC000738339605 598724045 /nfs/dbraw/zinc/72/40/45/598724045.db2.gz OFIWZEKUDOJNCH-UHFFFAOYSA-N -2 3 395.404 1.830 20 0 GDADHL O=S(=O)([N-]c1cnc(-c2cccc(O)c2)nc1)c1ccccc1-c1nn[n-]n1 ZINC000738339605 598724051 /nfs/dbraw/zinc/72/40/51/598724051.db2.gz OFIWZEKUDOJNCH-UHFFFAOYSA-N -2 3 395.404 1.830 20 0 GDADHL O=C(C=Cc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000737801937 598752647 /nfs/dbraw/zinc/75/26/47/598752647.db2.gz VBUOBFXKVVRVHS-GQCTYLIASA-N -2 3 390.812 1.433 20 0 GDADHL O=C(C=Cc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000737801937 598752648 /nfs/dbraw/zinc/75/26/48/598752648.db2.gz VBUOBFXKVVRVHS-GQCTYLIASA-N -2 3 390.812 1.433 20 0 GDADHL C[C@@H]1CCC[C@@H](OCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736259606 598802016 /nfs/dbraw/zinc/80/20/16/598802016.db2.gz FRLOEHSKUZWPTL-DGCLKSJQSA-N -2 3 379.442 1.267 20 0 GDADHL C[C@@H]1CCC[C@@H](OCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736259606 598802017 /nfs/dbraw/zinc/80/20/17/598802017.db2.gz FRLOEHSKUZWPTL-DGCLKSJQSA-N -2 3 379.442 1.267 20 0 GDADHL CNc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc(Cl)n1 ZINC000736887823 599359294 /nfs/dbraw/zinc/35/92/94/599359294.db2.gz STIDALKQFCZJMS-UHFFFAOYSA-N -2 3 393.816 1.076 20 0 GDADHL CNc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc(Cl)n1 ZINC000736887823 599359297 /nfs/dbraw/zinc/35/92/97/599359297.db2.gz STIDALKQFCZJMS-UHFFFAOYSA-N -2 3 393.816 1.076 20 0 GDADHL C[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397790 599552856 /nfs/dbraw/zinc/55/28/56/599552856.db2.gz UENCCELPSWLDDA-JTQLQIEISA-N -2 3 377.364 1.701 20 0 GDADHL C[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397790 599552859 /nfs/dbraw/zinc/55/28/59/599552859.db2.gz UENCCELPSWLDDA-JTQLQIEISA-N -2 3 377.364 1.701 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)c1cccs1 ZINC000737299508 599618414 /nfs/dbraw/zinc/61/84/14/599618414.db2.gz QZOXXRDAPWLCRS-SNVBAGLBSA-N -2 3 377.451 1.845 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)c1cccs1 ZINC000737299508 599618415 /nfs/dbraw/zinc/61/84/15/599618415.db2.gz QZOXXRDAPWLCRS-SNVBAGLBSA-N -2 3 377.451 1.845 20 0 GDADHL CCCc1ncc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000821142119 599621643 /nfs/dbraw/zinc/62/16/43/599621643.db2.gz DLPCAZQMPSQXBK-UHFFFAOYSA-N -2 3 392.466 1.536 20 0 GDADHL CCCc1ncc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000821142119 599621644 /nfs/dbraw/zinc/62/16/44/599621644.db2.gz DLPCAZQMPSQXBK-UHFFFAOYSA-N -2 3 392.466 1.536 20 0 GDADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)OC(C)(C)C ZINC000820438613 607388658 /nfs/dbraw/zinc/38/86/58/607388658.db2.gz SYZFPMHRXGDLDM-ZETCQYMHSA-N -2 3 389.384 1.153 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCOCC2)o1 ZINC000326762803 599766335 /nfs/dbraw/zinc/76/63/35/599766335.db2.gz OTYMNLCVZGDWDZ-NSHDSACASA-N -2 3 386.451 1.391 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(CN3CCCC3=O)cc2)o1 ZINC000740176433 599773766 /nfs/dbraw/zinc/77/37/66/599773766.db2.gz CNHBSZUBFRKVFD-UHFFFAOYSA-N -2 3 378.406 1.579 20 0 GDADHL Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000738746196 599924614 /nfs/dbraw/zinc/92/46/14/599924614.db2.gz VOIGMDKTWRUWSS-UHFFFAOYSA-N -2 3 391.384 1.917 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])c(Br)cc1F ZINC000737680461 599981580 /nfs/dbraw/zinc/98/15/80/599981580.db2.gz JHPKYUPONOALPI-UHFFFAOYSA-N -2 3 398.206 1.516 20 0 GDADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000737575962 600147485 /nfs/dbraw/zinc/14/74/85/600147485.db2.gz SCKHPZZLESEKJN-XUIVZRPNSA-N -2 3 392.227 1.356 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000737700623 600171051 /nfs/dbraw/zinc/17/10/51/600171051.db2.gz QLWXDKWKORKVHN-LBPRGKRZSA-N -2 3 383.447 1.990 20 0 GDADHL CC(C)Oc1ccc(NC(=O)C(=O)[N-]OCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000820161074 607438009 /nfs/dbraw/zinc/43/80/09/607438009.db2.gz SXLZIQDWRAAONB-UHFFFAOYSA-N -2 3 388.306 1.203 20 0 GDADHL CC(C)Oc1ccc(NC(=O)C(=O)[N-]OCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000820161074 607438011 /nfs/dbraw/zinc/43/80/11/607438011.db2.gz SXLZIQDWRAAONB-UHFFFAOYSA-N -2 3 388.306 1.203 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/nfs/dbraw/zinc/12/16/30/599121630.db2.gz KXJQJHBPTZPPMZ-UHFFFAOYSA-N -2 3 377.401 1.618 20 0 GDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000736180405 599219793 /nfs/dbraw/zinc/21/97/93/599219793.db2.gz ICAMTMQMHJKERZ-MXYBEHONSA-N -2 3 385.424 1.878 20 0 GDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000736180405 599219796 /nfs/dbraw/zinc/21/97/96/599219796.db2.gz ICAMTMQMHJKERZ-MXYBEHONSA-N -2 3 385.424 1.878 20 0 GDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000736185080 599220563 /nfs/dbraw/zinc/22/05/63/599220563.db2.gz SMPFTMJZOSSVQY-LBPRGKRZSA-N -2 3 381.392 1.691 20 0 GDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000736185080 599220567 /nfs/dbraw/zinc/22/05/67/599220567.db2.gz SMPFTMJZOSSVQY-LBPRGKRZSA-N -2 3 381.392 1.691 20 0 GDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])ccc1F ZINC000268909263 597440775 /nfs/dbraw/zinc/44/07/75/597440775.db2.gz FLCTVYOJRHENSA-CYBMUJFWSA-N -2 3 386.445 1.982 20 0 GDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])ccc1F ZINC000268909266 597440811 /nfs/dbraw/zinc/44/08/11/597440811.db2.gz FLCTVYOJRHENSA-ZDUSSCGKSA-N -2 3 386.445 1.982 20 0 GDADHL O=S(=O)([N-]c1nc2c(s1)COCC2)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738340508 599286791 /nfs/dbraw/zinc/28/67/91/599286791.db2.gz WLNYRWPMHRWTEE-UHFFFAOYSA-N -2 3 398.857 1.850 20 0 GDADHL O=S(=O)([N-]c1nc2c(s1)COCC2)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738340508 599286793 /nfs/dbraw/zinc/28/67/93/599286793.db2.gz WLNYRWPMHRWTEE-UHFFFAOYSA-N -2 3 398.857 1.850 20 0 GDADHL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cn1 ZINC000821343529 607342015 /nfs/dbraw/zinc/34/20/15/607342015.db2.gz OWMVQRQFTPZPAE-UHFFFAOYSA-N -2 3 388.409 1.548 20 0 GDADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000737964845 598293961 /nfs/dbraw/zinc/29/39/61/598293961.db2.gz ZUXQYFSCNMXABX-UHFFFAOYSA-N -2 3 394.416 1.463 20 0 GDADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000737964845 598293962 /nfs/dbraw/zinc/29/39/62/598293962.db2.gz ZUXQYFSCNMXABX-UHFFFAOYSA-N -2 3 394.416 1.463 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(F)c2ncccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000738139795 598307903 /nfs/dbraw/zinc/30/79/03/598307903.db2.gz PZWXEOUBMJQAFX-UHFFFAOYSA-N -2 3 398.379 1.673 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(F)c2ncccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000738139795 598307905 /nfs/dbraw/zinc/30/79/05/598307905.db2.gz PZWXEOUBMJQAFX-UHFFFAOYSA-N -2 3 398.379 1.673 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cnc(C2CC2)s1 ZINC000738140488 598332286 /nfs/dbraw/zinc/33/22/86/598332286.db2.gz VVVIICUMGHIQPG-UHFFFAOYSA-N -2 3 390.450 1.460 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cnc(C2CC2)s1 ZINC000738140488 598332288 /nfs/dbraw/zinc/33/22/88/598332288.db2.gz VVVIICUMGHIQPG-UHFFFAOYSA-N -2 3 390.450 1.460 20 0 GDADHL O=S(=O)([N-]c1cccnc1N1CCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738343475 598333752 /nfs/dbraw/zinc/33/37/52/598333752.db2.gz ZVAUGXDGGYALLJ-UHFFFAOYSA-N -2 3 386.441 1.448 20 0 GDADHL COCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737017631 598414872 /nfs/dbraw/zinc/41/48/72/598414872.db2.gz PHXFODHAHCOKDN-UHFFFAOYSA-N -2 3 397.800 1.378 20 0 GDADHL COCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737017631 598414874 /nfs/dbraw/zinc/41/48/74/598414874.db2.gz PHXFODHAHCOKDN-UHFFFAOYSA-N -2 3 397.800 1.378 20 0 GDADHL CCCCCCOCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736447047 598484949 /nfs/dbraw/zinc/48/49/49/598484949.db2.gz MYPZTUHYXUZDJZ-UHFFFAOYSA-N -2 3 381.458 1.410 20 0 GDADHL CCCCCCOCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736447047 598484951 /nfs/dbraw/zinc/48/49/51/598484951.db2.gz MYPZTUHYXUZDJZ-UHFFFAOYSA-N -2 3 381.458 1.410 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c(OC)c1OC ZINC000737105251 598499825 /nfs/dbraw/zinc/49/98/25/598499825.db2.gz FVKCYFVBWFPIJF-UHFFFAOYSA-N -2 3 391.409 1.693 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c(OC)c1OC ZINC000737105251 598499827 /nfs/dbraw/zinc/49/98/27/598499827.db2.gz FVKCYFVBWFPIJF-UHFFFAOYSA-N -2 3 391.409 1.693 20 0 GDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc(C2CC2)no1 ZINC000735735747 598525541 /nfs/dbraw/zinc/52/55/41/598525541.db2.gz VBLZHUVZGZBDEJ-GFCCVEGCSA-N -2 3 390.429 1.198 20 0 GDADHL CCn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)cn1 ZINC000736723683 598547873 /nfs/dbraw/zinc/54/78/73/598547873.db2.gz XHXZYZLPJAYBTF-UHFFFAOYSA-N -2 3 385.356 1.485 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c(F)cc1F ZINC000732045167 598673046 /nfs/dbraw/zinc/67/30/46/598673046.db2.gz BMTLWMHIWVONPD-UHFFFAOYSA-N -2 3 395.347 1.732 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1cccs1 ZINC000736895749 598709159 /nfs/dbraw/zinc/70/91/59/598709159.db2.gz GIBYGGKQJPFZJJ-LBPRGKRZSA-N -2 3 397.413 1.260 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1cccs1 ZINC000736895749 598709160 /nfs/dbraw/zinc/70/91/60/598709160.db2.gz GIBYGGKQJPFZJJ-LBPRGKRZSA-N -2 3 397.413 1.260 20 0 GDADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000821772663 599305779 /nfs/dbraw/zinc/30/57/79/599305779.db2.gz KHGYALCGHOVMMC-UHFFFAOYSA-N -3 3 375.366 1.374 20 0 GDADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000821772663 599305783 /nfs/dbraw/zinc/30/57/83/599305783.db2.gz KHGYALCGHOVMMC-UHFFFAOYSA-N -3 3 375.366 1.374 20 0 GDADHL NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822880667 599307258 /nfs/dbraw/zinc/30/72/58/599307258.db2.gz XWSAHYSFFNEQCH-UHFFFAOYSA-N -2 3 378.801 1.420 20 0 GDADHL NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822880667 599307261 /nfs/dbraw/zinc/30/72/61/599307261.db2.gz XWSAHYSFFNEQCH-UHFFFAOYSA-N -2 3 378.801 1.420 20 0 GDADHL Cc1c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccn1 ZINC000476328331 599315001 /nfs/dbraw/zinc/31/50/01/599315001.db2.gz XQURFSDBESISMC-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737072157 599315178 /nfs/dbraw/zinc/31/51/78/599315178.db2.gz QXGCHMRBRVSXLL-UHFFFAOYSA-N -3 3 375.366 1.374 20 0 GDADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737072157 599315181 /nfs/dbraw/zinc/31/51/81/599315181.db2.gz QXGCHMRBRVSXLL-UHFFFAOYSA-N -3 3 375.366 1.374 20 0 GDADHL O=S(=O)([N-]c1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1c[nH]cn1 ZINC000738343249 599471416 /nfs/dbraw/zinc/47/14/16/599471416.db2.gz VHVHAOUFSYQQNM-UHFFFAOYSA-N -2 3 384.381 1.578 20 0 GDADHL O=S(=O)([N-]c1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1c[nH]cn1 ZINC000738343249 599471418 /nfs/dbraw/zinc/47/14/18/599471418.db2.gz VHVHAOUFSYQQNM-UHFFFAOYSA-N -2 3 384.381 1.578 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cc(F)ccc1Br ZINC000823583054 607381375 /nfs/dbraw/zinc/38/13/75/607381375.db2.gz FQTFDCBJXRFVFU-UHFFFAOYSA-N -2 3 399.205 1.964 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cc(F)ccc1Br ZINC000823583054 607381377 /nfs/dbraw/zinc/38/13/77/607381377.db2.gz FQTFDCBJXRFVFU-UHFFFAOYSA-N -2 3 399.205 1.964 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)c1ccsc1 ZINC000737298495 599617986 /nfs/dbraw/zinc/61/79/86/599617986.db2.gz LEFSWWRHXJDFIL-SNVBAGLBSA-N -2 3 377.451 1.845 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)c1ccsc1 ZINC000737298495 599617987 /nfs/dbraw/zinc/61/79/87/599617987.db2.gz LEFSWWRHXJDFIL-SNVBAGLBSA-N -2 3 377.451 1.845 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000819866198 599619665 /nfs/dbraw/zinc/61/96/65/599619665.db2.gz KREQSPTTZIOALH-SNVBAGLBSA-N -2 3 375.385 1.614 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000819866198 599619666 /nfs/dbraw/zinc/61/96/66/599619666.db2.gz KREQSPTTZIOALH-SNVBAGLBSA-N -2 3 375.385 1.614 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000822222572 599624726 /nfs/dbraw/zinc/62/47/26/599624726.db2.gz MNEBMJBEGNKXHI-AAEUAGOBSA-N -2 3 379.442 1.328 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000822222572 599624727 /nfs/dbraw/zinc/62/47/27/599624727.db2.gz MNEBMJBEGNKXHI-AAEUAGOBSA-N -2 3 379.442 1.328 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCC(=O)c1ccccc1 ZINC000822222280 599624800 /nfs/dbraw/zinc/62/48/00/599624800.db2.gz BGAZFSGZVBGLSD-UHFFFAOYSA-N -2 3 399.432 1.643 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCC(=O)c1ccccc1 ZINC000822222280 599624801 /nfs/dbraw/zinc/62/48/01/599624801.db2.gz BGAZFSGZVBGLSD-UHFFFAOYSA-N -2 3 399.432 1.643 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCS(=O)(=O)Cc2ccccc2)o1 ZINC000566179066 599769734 /nfs/dbraw/zinc/76/97/34/599769734.db2.gz NNUAPARSEQKOKA-UHFFFAOYSA-N -2 3 387.435 1.261 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000826249419 607397591 /nfs/dbraw/zinc/39/75/91/607397591.db2.gz BUHIEGXKHXKADZ-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000826249419 607397593 /nfs/dbraw/zinc/39/75/93/607397593.db2.gz BUHIEGXKHXKADZ-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1 ZINC000737540028 599854863 /nfs/dbraw/zinc/85/48/63/599854863.db2.gz JPFVCBXUGIEBHH-UHFFFAOYSA-N -2 3 378.406 1.619 20 0 GDADHL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000739500433 599858265 /nfs/dbraw/zinc/85/82/65/599858265.db2.gz BKAMWDPNGPOOHF-IAGOWNOFSA-N -2 3 382.416 1.809 20 0 GDADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000547872172 599876886 /nfs/dbraw/zinc/87/68/86/599876886.db2.gz QRBLTTMIDRBQKU-LBPRGKRZSA-N -2 3 390.483 1.324 20 0 GDADHL O=C([O-])[C@@H]1CCCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000738538335 599887125 /nfs/dbraw/zinc/88/71/25/599887125.db2.gz OGVOOFLFPYPYCE-SECBINFHSA-N -2 3 388.392 1.342 20 0 GDADHL Cc1nc(C)c(CCC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c(=O)[n-]1 ZINC000738847886 599947391 /nfs/dbraw/zinc/94/73/91/599947391.db2.gz QOTAEFJCISZJBL-AWEZNQCLSA-N -2 3 375.400 1.930 20 0 GDADHL Cc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c(C(=O)[O-])c1 ZINC000738624979 600074202 /nfs/dbraw/zinc/07/42/02/600074202.db2.gz BRQDWLJNWATUPA-UHFFFAOYSA-N -2 3 382.170 1.357 20 0 GDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cc1C(N)=O ZINC000738636508 600099880 /nfs/dbraw/zinc/09/98/80/600099880.db2.gz OHMDFGUYHWFYIZ-UHFFFAOYSA-N -2 3 378.406 1.748 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCC(=O)N2Cc3ccccc3C2)o1 ZINC000740175769 600349608 /nfs/dbraw/zinc/34/96/08/600349608.db2.gz YGUBCRLOXLUEGY-UHFFFAOYSA-N -2 3 378.406 1.579 20 0 GDADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@](C)(CC)C(=O)[O-])cc1 ZINC000575178374 600443566 /nfs/dbraw/zinc/44/35/66/600443566.db2.gz WZKXURVYRDTNBI-OAHLLOKOSA-N -2 3 392.499 1.760 20 0 GDADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000261618259 600443603 /nfs/dbraw/zinc/44/36/03/600443603.db2.gz 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C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737175011 598845299 /nfs/dbraw/zinc/84/52/99/598845299.db2.gz ZHLCGSNCTNRVPD-RUZDIDTESA-N -2 3 395.441 1.685 20 0 GDADHL C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737175011 598845300 /nfs/dbraw/zinc/84/53/00/598845300.db2.gz ZHLCGSNCTNRVPD-RUZDIDTESA-N -2 3 395.441 1.685 20 0 GDADHL CC[C@@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736373730 598855568 /nfs/dbraw/zinc/85/55/68/598855568.db2.gz BUJFNHMDPOQLIK-OAHLLOKOSA-N -2 3 393.469 1.551 20 0 GDADHL CC[C@@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736373730 598855569 /nfs/dbraw/zinc/85/55/69/598855569.db2.gz BUJFNHMDPOQLIK-OAHLLOKOSA-N -2 3 393.469 1.551 20 0 GDADHL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736348332 598858146 /nfs/dbraw/zinc/85/81/46/598858146.db2.gz AAAIDWKDSMHDGS-HNNXBMFYSA-N -2 3 395.485 1.905 20 0 GDADHL CCC(CC)S(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736348332 598858147 /nfs/dbraw/zinc/85/81/47/598858147.db2.gz AAAIDWKDSMHDGS-HNNXBMFYSA-N -2 3 395.485 1.905 20 0 GDADHL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cccc1-c1nn[n-]n1 ZINC000822123305 607255720 /nfs/dbraw/zinc/25/57/20/607255720.db2.gz YYJAIUWHQQKXNZ-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cnc(C2CC2)s1 ZINC000737297598 598976525 /nfs/dbraw/zinc/97/65/25/598976525.db2.gz DDAUUCUCCWAWOI-UHFFFAOYSA-N -2 3 390.450 1.628 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cnc(C2CC2)s1 ZINC000737297598 598976527 /nfs/dbraw/zinc/97/65/27/598976527.db2.gz DDAUUCUCCWAWOI-UHFFFAOYSA-N -2 3 390.450 1.628 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCO2 ZINC000737300430 598977139 /nfs/dbraw/zinc/97/71/39/598977139.db2.gz XBNHLEPXPUJPCR-UHFFFAOYSA-N -2 3 387.377 1.023 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCO2 ZINC000737300430 598977141 /nfs/dbraw/zinc/97/71/41/598977141.db2.gz XBNHLEPXPUJPCR-UHFFFAOYSA-N -2 3 387.377 1.023 20 0 GDADHL O=C(C[C@H]1OCCc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737819690 599150593 /nfs/dbraw/zinc/15/05/93/599150593.db2.gz OKOJLKBTLBPKNQ-MRXNPFEDSA-N -2 3 399.432 1.376 20 0 GDADHL O=C(C[C@H]1OCCc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737819690 599150594 /nfs/dbraw/zinc/15/05/94/599150594.db2.gz OKOJLKBTLBPKNQ-MRXNPFEDSA-N -2 3 399.432 1.376 20 0 GDADHL COc1cc(OC)cc(C(=O)Nc2ccc([O-])c(C(=O)N(C)CC(=O)[O-])c2)c1 ZINC000738081264 596909058 /nfs/dbraw/zinc/90/90/58/596909058.db2.gz HYCGAICQYVOEMZ-UHFFFAOYSA-N -2 3 388.376 1.818 20 0 GDADHL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)s1 ZINC000819802775 599230008 /nfs/dbraw/zinc/23/00/08/599230008.db2.gz JAKKJAVOLMUDNX-QMMMGPOBSA-N -2 3 393.454 1.321 20 0 GDADHL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)s1 ZINC000819802775 599230010 /nfs/dbraw/zinc/23/00/10/599230010.db2.gz JAKKJAVOLMUDNX-QMMMGPOBSA-N -2 3 393.454 1.321 20 0 GDADHL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cc1OC ZINC000821720608 599232778 /nfs/dbraw/zinc/23/27/78/599232778.db2.gz WCVJESQJBOEDDW-UHFFFAOYSA-N -2 3 380.361 1.219 20 0 GDADHL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1OC ZINC000821720608 599232780 /nfs/dbraw/zinc/23/27/80/599232780.db2.gz WCVJESQJBOEDDW-UHFFFAOYSA-N -2 3 380.361 1.219 20 0 GDADHL CNC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736879064 598330305 /nfs/dbraw/zinc/33/03/05/598330305.db2.gz OUWPEGHBGZUSOM-UHFFFAOYSA-N -2 3 388.409 1.036 20 0 GDADHL CNC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736879064 598330306 /nfs/dbraw/zinc/33/03/06/598330306.db2.gz OUWPEGHBGZUSOM-UHFFFAOYSA-N -2 3 388.409 1.036 20 0 GDADHL Cc1ccccc1C1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737424260 598414478 /nfs/dbraw/zinc/41/44/78/598414478.db2.gz WSIWARJXDKESID-UHFFFAOYSA-N -2 3 397.460 1.853 20 0 GDADHL Cc1ccccc1C1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737424260 598414480 /nfs/dbraw/zinc/41/44/80/598414480.db2.gz WSIWARJXDKESID-UHFFFAOYSA-N -2 3 397.460 1.853 20 0 GDADHL CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000736823681 598624005 /nfs/dbraw/zinc/62/40/05/598624005.db2.gz ZIINIGRDFOTXAX-UHFFFAOYSA-N -2 3 377.364 1.482 20 0 GDADHL CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000736823681 598624007 /nfs/dbraw/zinc/62/40/07/598624007.db2.gz ZIINIGRDFOTXAX-UHFFFAOYSA-N -2 3 377.364 1.482 20 0 GDADHL CC(C)S(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735914365 598734679 /nfs/dbraw/zinc/73/46/79/598734679.db2.gz QBNNMCLXWBBFEJ-UHFFFAOYSA-N -2 3 388.409 1.522 20 0 GDADHL CC(C)S(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735914365 598734681 /nfs/dbraw/zinc/73/46/81/598734681.db2.gz QBNNMCLXWBBFEJ-UHFFFAOYSA-N -2 3 388.409 1.522 20 0 GDADHL Cc1ncc(C=CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737491007 598786374 /nfs/dbraw/zinc/78/63/74/598786374.db2.gz YOKZACKJNJVCQV-AATRIKPKSA-N -2 3 390.450 1.291 20 0 GDADHL Cc1ncc(C=CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737491007 598786375 /nfs/dbraw/zinc/78/63/75/598786375.db2.gz YOKZACKJNJVCQV-AATRIKPKSA-N -2 3 390.450 1.291 20 0 GDADHL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736345582 598801744 /nfs/dbraw/zinc/80/17/44/598801744.db2.gz JBVBQHGZSDEGET-LLVKDONJSA-N -2 3 381.458 1.516 20 0 GDADHL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736345582 598801746 /nfs/dbraw/zinc/80/17/46/598801746.db2.gz JBVBQHGZSDEGET-LLVKDONJSA-N -2 3 381.458 1.516 20 0 GDADHL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)o1 ZINC000822505719 599304814 /nfs/dbraw/zinc/30/48/14/599304814.db2.gz STQGGIVMLSZNRY-UHFFFAOYSA-N -2 3 384.381 1.421 20 0 GDADHL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)o1 ZINC000822505719 599304817 /nfs/dbraw/zinc/30/48/17/599304817.db2.gz STQGGIVMLSZNRY-UHFFFAOYSA-N -2 3 384.381 1.421 20 0 GDADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736201762 599515965 /nfs/dbraw/zinc/51/59/65/599515965.db2.gz HRJHVXDPPLHPPV-LBPRGKRZSA-N -2 3 387.421 1.453 20 0 GDADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736201762 599515967 /nfs/dbraw/zinc/51/59/67/599515967.db2.gz HRJHVXDPPLHPPV-LBPRGKRZSA-N -2 3 387.421 1.453 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823285621 599621025 /nfs/dbraw/zinc/62/10/25/599621025.db2.gz XLMYTGRAKCMIOU-LSDHHAIUSA-N -2 3 375.454 1.888 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823285621 599621026 /nfs/dbraw/zinc/62/10/26/599621026.db2.gz XLMYTGRAKCMIOU-LSDHHAIUSA-N -2 3 375.454 1.888 20 0 GDADHL COc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821904194 599625686 /nfs/dbraw/zinc/62/56/86/599625686.db2.gz SMTWMHWVBSZMJR-ZHACJKMWSA-N -2 3 385.405 1.394 20 0 GDADHL COc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821904194 599625687 /nfs/dbraw/zinc/62/56/87/599625687.db2.gz SMTWMHWVBSZMJR-ZHACJKMWSA-N -2 3 385.405 1.394 20 0 GDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000263475059 599779392 /nfs/dbraw/zinc/77/93/92/599779392.db2.gz JAKXKKCVNOQJKW-LLVKDONJSA-N -2 3 385.442 1.785 20 0 GDADHL O=C([O-])[C@@H](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)Cc1ccc(O)cc1 ZINC000739398380 599803918 /nfs/dbraw/zinc/80/39/18/599803918.db2.gz SLCLDDXKURRLRK-LLVKDONJSA-N -2 3 383.360 1.341 20 0 GDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1OC ZINC000737226743 599956632 /nfs/dbraw/zinc/95/66/32/599956632.db2.gz PWSJEBAOKOEDMY-UHFFFAOYSA-N -2 3 385.442 1.785 20 0 GDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000738916122 599978720 /nfs/dbraw/zinc/97/87/20/599978720.db2.gz XHSGVKVJVVXUHK-LLVKDONJSA-N -2 3 389.836 1.743 20 0 GDADHL Cc1cccc(C[C@@H](CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])c1 ZINC000738708384 600009554 /nfs/dbraw/zinc/00/95/54/600009554.db2.gz NOXLJRUBACNTPM-ZDUSSCGKSA-N -2 3 381.388 1.944 20 0 GDADHL CCOc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)ccc1OCC(=O)[O-] ZINC000737185481 600260801 /nfs/dbraw/zinc/26/08/01/600260801.db2.gz BIYLZOVKTUTEGH-UHFFFAOYSA-N -2 3 397.391 1.659 20 0 GDADHL CCOc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)ccc1OCC(=O)[O-] ZINC000737185481 600260803 /nfs/dbraw/zinc/26/08/03/600260803.db2.gz BIYLZOVKTUTEGH-UHFFFAOYSA-N -2 3 397.391 1.659 20 0 GDADHL COCCN(CCC(=O)[O-])C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000737801549 600622313 /nfs/dbraw/zinc/62/23/13/600622313.db2.gz PJLVMJPADWXXQH-UHFFFAOYSA-N -2 3 390.433 1.076 20 0 GDADHL CCOCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000737168436 600631881 /nfs/dbraw/zinc/63/18/81/600631881.db2.gz UUPKQPULVWHFHG-UHFFFAOYSA-N -2 3 384.223 1.991 20 0 GDADHL COc1ccccc1[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1noc(C)n1 ZINC000832595447 600748818 /nfs/dbraw/zinc/74/88/18/600748818.db2.gz LGIANENPKKVQGR-CQSZACIVSA-N -2 3 392.393 1.481 20 0 GDADHL O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])c1ccccc1 ZINC000833164309 600781054 /nfs/dbraw/zinc/78/10/54/600781054.db2.gz QGKUCEQDFLRNMF-IRXDYDNUSA-N -2 3 382.416 1.981 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)cc2)ccc1C(=O)[O-] ZINC000506708542 600887734 /nfs/dbraw/zinc/88/77/34/600887734.db2.gz UYYHHQDVAUWALF-UHFFFAOYSA-N -2 3 392.433 1.961 20 0 GDADHL CC(C)C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000424250662 600924054 /nfs/dbraw/zinc/92/40/54/600924054.db2.gz PJUJSDALPPOCKG-VIFPVBQESA-N -2 3 382.891 1.543 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1-n1cnnn1 ZINC000507979046 601117742 /nfs/dbraw/zinc/11/77/42/601117742.db2.gz KTRDMSMNTZHHQM-UHFFFAOYSA-N -2 3 389.393 1.478 20 0 GDADHL O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)c2cc3c(cc2[O-])OCO3)C1=O ZINC000833131109 601122992 /nfs/dbraw/zinc/12/29/92/601122992.db2.gz NOAGZDYPMKPYEU-SNVBAGLBSA-N -2 3 390.373 1.416 20 0 GDADHL COC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000831210816 601222693 /nfs/dbraw/zinc/22/26/93/601222693.db2.gz VDQLVVCYCJWSQB-UHFFFAOYSA-N -2 3 382.394 1.986 20 0 GDADHL C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827518209 601232613 /nfs/dbraw/zinc/23/26/13/601232613.db2.gz ZHERVHCAOVEWHZ-ZCFIWIBFSA-N -2 3 377.287 1.909 20 0 GDADHL COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000831071657 601239720 /nfs/dbraw/zinc/23/97/20/601239720.db2.gz FIMVCJBHMNIKNK-LLVKDONJSA-N -2 3 399.371 1.898 20 0 GDADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000831591703 601267021 /nfs/dbraw/zinc/26/70/21/601267021.db2.gz YAWUADNTBRNNHW-NSHDSACASA-N -2 3 386.289 1.977 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c(C)o1 ZINC000431444830 601281830 /nfs/dbraw/zinc/28/18/30/601281830.db2.gz JZHRKWSNPMWMDG-LBPRGKRZSA-N -2 3 394.449 1.859 20 0 GDADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000106241591 601322501 /nfs/dbraw/zinc/32/25/01/601322501.db2.gz 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608010376 /nfs/dbraw/zinc/01/03/76/608010376.db2.gz KZIBWJVRWXUIOZ-ZDUSSCGKSA-N -2 3 377.357 1.110 20 0 GDADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1F ZINC000826214208 608075751 /nfs/dbraw/zinc/07/57/51/608075751.db2.gz DKZOALMXDYSBJY-UHFFFAOYSA-N -2 3 377.357 1.133 20 0 GDADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1F ZINC000826214208 608075752 /nfs/dbraw/zinc/07/57/52/608075752.db2.gz DKZOALMXDYSBJY-UHFFFAOYSA-N -2 3 377.357 1.133 20 0 GDADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000826401931 608146643 /nfs/dbraw/zinc/14/66/43/608146643.db2.gz JNOCLJFBQFZOQC-HJWRWDBZSA-N -2 3 387.396 1.665 20 0 GDADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000826401931 608146644 /nfs/dbraw/zinc/14/66/44/608146644.db2.gz JNOCLJFBQFZOQC-HJWRWDBZSA-N -2 3 387.396 1.665 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccnc2ccccc21 ZINC000826279065 608248969 /nfs/dbraw/zinc/24/89/69/608248969.db2.gz DPHVIQYQAVNYSI-UHFFFAOYSA-N -2 3 394.416 1.842 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccnc2ccccc21 ZINC000826279065 608248970 /nfs/dbraw/zinc/24/89/70/608248970.db2.gz DPHVIQYQAVNYSI-UHFFFAOYSA-N -2 3 394.416 1.842 20 0 GDADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(-c2ccccc2)n1 ZINC000826362280 608309251 /nfs/dbraw/zinc/30/92/51/608309251.db2.gz LTMMWNMAZKHYMT-UHFFFAOYSA-N -2 3 382.409 1.463 20 0 GDADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(-c2ccccc2)n1 ZINC000826362280 608309252 /nfs/dbraw/zinc/30/92/52/608309252.db2.gz LTMMWNMAZKHYMT-UHFFFAOYSA-N -2 3 382.409 1.463 20 0 GDADHL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)cc12 ZINC000826322617 608415714 /nfs/dbraw/zinc/41/57/14/608415714.db2.gz UMVWIZWOHUFXGH-UHFFFAOYSA-N -2 3 390.816 1.901 20 0 GDADHL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)cc12 ZINC000826322617 608415716 /nfs/dbraw/zinc/41/57/16/608415716.db2.gz UMVWIZWOHUFXGH-UHFFFAOYSA-N -2 3 390.816 1.901 20 0 GDADHL O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826467600 608446926 /nfs/dbraw/zinc/44/69/26/608446926.db2.gz DHYKNEOXPMYOOW-UHFFFAOYSA-N -2 3 383.324 1.219 20 0 GDADHL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826298090 608456977 /nfs/dbraw/zinc/45/69/77/608456977.db2.gz DANNHDIVKFJFRI-UHFFFAOYSA-N -2 3 391.840 1.876 20 0 GDADHL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826298090 608456978 /nfs/dbraw/zinc/45/69/78/608456978.db2.gz DANNHDIVKFJFRI-UHFFFAOYSA-N -2 3 391.840 1.876 20 0 GDADHL CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825181756 609146784 /nfs/dbraw/zinc/14/67/84/609146784.db2.gz GAJGBKOSIGLVQC-ZJUUUORDSA-N -2 3 399.860 1.530 20 0 GDADHL CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000825181756 609146786 /nfs/dbraw/zinc/14/67/86/609146786.db2.gz GAJGBKOSIGLVQC-ZJUUUORDSA-N -2 3 399.860 1.530 20 0 GDADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000825632427 609310634 /nfs/dbraw/zinc/31/06/34/609310634.db2.gz RIYVBJJXENRPED-UHFFFAOYSA-N -2 3 389.393 1.795 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H](F)Cc1ccccc1 ZINC000826449838 609387544 /nfs/dbraw/zinc/38/75/44/609387544.db2.gz LSCHPMBQXZTVGL-OAHLLOKOSA-N -2 3 389.412 1.394 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@H](F)Cc1ccccc1 ZINC000826449838 609387546 /nfs/dbraw/zinc/38/75/46/609387546.db2.gz LSCHPMBQXZTVGL-OAHLLOKOSA-N -2 3 389.412 1.394 20 0 GDADHL CC(C)[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824214318 609395736 /nfs/dbraw/zinc/39/57/36/609395736.db2.gz FNRTYBAPOSURME-DOMZBBRYSA-N -2 3 393.469 1.513 20 0 GDADHL CC(C)[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824214318 609395738 /nfs/dbraw/zinc/39/57/38/609395738.db2.gz FNRTYBAPOSURME-DOMZBBRYSA-N -2 3 393.469 1.513 20 0 GDADHL CC(C)[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824215244 609398288 /nfs/dbraw/zinc/39/82/88/609398288.db2.gz JSERCDZUZGEVLB-DOMZBBRYSA-N -2 3 393.469 1.513 20 0 GDADHL CC(C)[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824215244 609398289 /nfs/dbraw/zinc/39/82/89/609398289.db2.gz JSERCDZUZGEVLB-DOMZBBRYSA-N -2 3 393.469 1.513 20 0 GDADHL CCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000825356820 609404075 /nfs/dbraw/zinc/40/40/75/609404075.db2.gz LIHNFVAIVCEMFX-UHFFFAOYSA-N -2 3 395.832 1.245 20 0 GDADHL CCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000825356820 609404076 /nfs/dbraw/zinc/40/40/76/609404076.db2.gz LIHNFVAIVCEMFX-UHFFFAOYSA-N -2 3 395.832 1.245 20 0 GDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1C(N)=O ZINC000826291399 609529097 /nfs/dbraw/zinc/52/90/97/609529097.db2.gz DLBNTGHCOCJJPJ-UHFFFAOYSA-N -2 3 392.828 1.728 20 0 GDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1C(N)=O ZINC000826291399 609529098 /nfs/dbraw/zinc/52/90/98/609529098.db2.gz DLBNTGHCOCJJPJ-UHFFFAOYSA-N -2 3 392.828 1.728 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1O ZINC000826462457 609529269 /nfs/dbraw/zinc/52/92/69/609529269.db2.gz YUPPKRDXZWIVTA-UHFFFAOYSA-N -3 3 395.784 1.725 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1O ZINC000826462457 609529270 /nfs/dbraw/zinc/52/92/70/609529270.db2.gz YUPPKRDXZWIVTA-UHFFFAOYSA-N -3 3 395.784 1.725 20 0 GDADHL COc1ccc(OC)c(S(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)c1 ZINC000916102879 660184946 /nfs/dbraw/zinc/18/49/46/660184946.db2.gz WAOJVVBFLKOGJB-UHFFFAOYSA-N -2 3 381.307 1.961 20 0 GDADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000548262261 650540019 /nfs/dbraw/zinc/54/00/19/650540019.db2.gz JWTRHZZTLLLHOT-LLVKDONJSA-N -2 3 384.435 1.467 20 0 GDADHL Cc1ncc(S(=O)(=O)[N-][C@H](CN2CCCc3ccccc32)C(=O)[O-])s1 ZINC000548534876 650549721 /nfs/dbraw/zinc/54/97/21/650549721.db2.gz PERDHBFXJSQEOT-CYBMUJFWSA-N -2 3 381.479 1.636 20 0 GDADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CC2CCCCC2)[C@@H](O)C(=O)[O-])s1 ZINC000549937351 650585890 /nfs/dbraw/zinc/58/58/90/650585890.db2.gz RVPVXVWUUXFWDV-SMDDNHRTSA-N -2 3 376.500 1.768 20 0 GDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)s1 ZINC000565057409 650778975 /nfs/dbraw/zinc/77/89/75/650778975.db2.gz GFPGCTQEJZAHON-UHFFFAOYSA-N -2 3 375.472 1.805 20 0 GDADHL CCCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3ccc(Cl)cc3F)nc2n1 ZINC000566554072 650855091 /nfs/dbraw/zinc/85/50/91/650855091.db2.gz KMBLDDPBHCMVCY-UHFFFAOYSA-N -2 3 385.808 1.963 20 0 GDADHL O=C([N-][N-]S(=O)(=O)c1ccc(I)cc1)NCC1CC1 ZINC000049152685 644395736 /nfs/dbraw/zinc/39/57/36/644395736.db2.gz XFLGDCDHLDRAPC-UHFFFAOYSA-N -2 3 395.222 1.194 20 0 GDADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)CCC2CCCCC2)cc1 ZINC000066588642 644545132 /nfs/dbraw/zinc/54/51/32/644545132.db2.gz WODZLUJVTKPOAY-UHFFFAOYSA-N -2 3 388.511 1.760 20 0 GDADHL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000466816887 647619588 /nfs/dbraw/zinc/61/95/88/647619588.db2.gz PCGWDCWEHURFSB-UHFFFAOYSA-N -2 3 379.320 1.032 20 0 GDADHL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000466816887 647619592 /nfs/dbraw/zinc/61/95/92/647619592.db2.gz PCGWDCWEHURFSB-UHFFFAOYSA-N -2 3 379.320 1.032 20 0 GDADHL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000466816887 647619593 /nfs/dbraw/zinc/61/95/93/647619593.db2.gz PCGWDCWEHURFSB-UHFFFAOYSA-N -2 3 379.320 1.032 20 0 GDADHL Cc1cccc(-n2cc(C(=O)[N-]c3nnc([N-]S(C)(=O)=O)s3)nn2)c1 ZINC000512267311 648400664 /nfs/dbraw/zinc/40/06/64/648400664.db2.gz OZPMXOIKDREVIA-UHFFFAOYSA-N -2 3 379.427 1.051 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c(F)cc1Br ZINC000518490658 648600111 /nfs/dbraw/zinc/60/01/11/648600111.db2.gz WPACZWOEELSWHP-SSDOTTSWSA-N -3 3 398.206 1.350 20 0 GDADHL O=C([O-])c1cn(CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)nn1 ZINC000574738775 651564893 /nfs/dbraw/zinc/56/48/93/651564893.db2.gz HKTLXZPHDHJKOQ-UHFFFAOYSA-N -2 3 376.797 1.528 20 0 GDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](C)c2ncc(C(=O)[O-])s2)s1 ZINC000575806994 651605266 /nfs/dbraw/zinc/60/52/66/651605266.db2.gz WMVRXQUUNYJPLX-YFKPBYRVSA-N -2 3 376.441 1.296 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)c(F)c1 ZINC000579844290 651880206 /nfs/dbraw/zinc/88/02/06/651880206.db2.gz RQLPMGJMGZYVEM-UHFFFAOYSA-N -2 3 388.446 1.531 20 0 GDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)[C@H](O)Cc1ccccc1 ZINC000580991094 651952489 /nfs/dbraw/zinc/95/24/89/651952489.db2.gz VSTBTHFUSZGKGL-HIFRSBDPSA-N -2 3 387.816 1.814 20 0 GDADHL CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)C(F)(F)F ZINC000594700293 652349628 /nfs/dbraw/zinc/34/96/28/652349628.db2.gz PJSAUCZKWLQESW-MRVPVSSYSA-N -2 3 375.346 1.609 20 0 GDADHL CCc1cc(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)on1 ZINC000607362366 652800954 /nfs/dbraw/zinc/80/09/54/652800954.db2.gz MFMZDPRCXADATN-UHFFFAOYSA-N -2 3 377.419 1.226 20 0 GDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)[C@H]1CCCO1 ZINC000630421699 653210619 /nfs/dbraw/zinc/21/06/19/653210619.db2.gz HBODYRZECKXMBN-KOLCDFICSA-N -2 3 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COC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736957634 598485656 /nfs/dbraw/zinc/48/56/56/598485656.db2.gz VAKFTUKJNRNEEX-UHFFFAOYSA-N -2 3 393.347 1.115 20 0 GDADHL COC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736957634 598485657 /nfs/dbraw/zinc/48/56/57/598485657.db2.gz VAKFTUKJNRNEEX-UHFFFAOYSA-N -2 3 393.347 1.115 20 0 GDADHL O=C(Cc1cccc(Cl)c1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737968659 598536543 /nfs/dbraw/zinc/53/65/43/598536543.db2.gz LEOKIXLIIPEZJL-UHFFFAOYSA-N -2 3 391.840 1.709 20 0 GDADHL O=C(Cc1cccc(Cl)c1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737968659 598536545 /nfs/dbraw/zinc/53/65/45/598536545.db2.gz LEOKIXLIIPEZJL-UHFFFAOYSA-N -2 3 391.840 1.709 20 0 GDADHL O=C1CCC(=O)N1c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738301668 598676367 /nfs/dbraw/zinc/67/63/67/598676367.db2.gz QWOJBPXLSJOONM-UHFFFAOYSA-N -2 3 398.404 1.321 20 0 GDADHL CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000735581384 598726795 /nfs/dbraw/zinc/72/67/95/598726795.db2.gz RPCFDGXASMOJQC-UHFFFAOYSA-N -2 3 389.412 1.789 20 0 GDADHL CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000735581384 598726796 /nfs/dbraw/zinc/72/67/96/598726796.db2.gz RPCFDGXASMOJQC-UHFFFAOYSA-N -2 3 389.412 1.789 20 0 GDADHL C[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736057579 598749569 /nfs/dbraw/zinc/74/95/69/598749569.db2.gz HQTDNGMOKOXLMX-ZDUSSCGKSA-N -2 3 385.449 1.692 20 0 GDADHL C[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736057579 598749572 /nfs/dbraw/zinc/74/95/72/598749572.db2.gz HQTDNGMOKOXLMX-ZDUSSCGKSA-N -2 3 385.449 1.692 20 0 GDADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736424800 598785165 /nfs/dbraw/zinc/78/51/65/598785165.db2.gz STSGLUIUGWNLGG-GFCCVEGCSA-N -2 3 397.526 1.982 20 0 GDADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736424800 598785166 /nfs/dbraw/zinc/78/51/66/598785166.db2.gz 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Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1 ZINC000822203398 599620262 /nfs/dbraw/zinc/62/02/62/599620262.db2.gz RPTXNGRQBRWFKT-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1 ZINC000822203398 599620263 /nfs/dbraw/zinc/62/02/63/599620263.db2.gz RPTXNGRQBRWFKT-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823285614 599621019 /nfs/dbraw/zinc/62/10/19/599621019.db2.gz XLMYTGRAKCMIOU-CABCVRRESA-N -2 3 375.454 1.888 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823285614 599621020 /nfs/dbraw/zinc/62/10/20/599621020.db2.gz XLMYTGRAKCMIOU-CABCVRRESA-N -2 3 375.454 1.888 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC[C@H]1CC[C@H](C)O1 ZINC000822222574 599624740 /nfs/dbraw/zinc/62/47/40/599624740.db2.gz MNEBMJBEGNKXHI-WCQYABFASA-N -2 3 379.442 1.328 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC[C@H]1CC[C@H](C)O1 ZINC000822222574 599624741 /nfs/dbraw/zinc/62/47/41/599624741.db2.gz MNEBMJBEGNKXHI-WCQYABFASA-N -2 3 379.442 1.328 20 0 GDADHL O=C([N-]S(=O)(=O)CCOc1ccccc1)c1sccc1-c1nnn[n-]1 ZINC000823285393 599627524 /nfs/dbraw/zinc/62/75/24/599627524.db2.gz SCKBCUQLVJYIPA-UHFFFAOYSA-N -2 3 379.423 1.067 20 0 GDADHL O=C([N-]S(=O)(=O)CCOc1ccccc1)c1sccc1-c1nn[n-]n1 ZINC000823285393 599627525 /nfs/dbraw/zinc/62/75/25/599627525.db2.gz SCKBCUQLVJYIPA-UHFFFAOYSA-N -2 3 379.423 1.067 20 0 GDADHL Cc1ccc(-n2[n-]c(C(=O)NCc3cccc(-c4nnn[n-]4)c3)cc2=O)cc1 ZINC000822223856 599692968 /nfs/dbraw/zinc/69/29/68/599692968.db2.gz MNUKRDJRLSFGRS-UHFFFAOYSA-N -2 3 375.392 1.584 20 0 GDADHL Cc1ccc(-n2[n-]c(C(=O)NCc3cccc(-c4nn[n-]n4)c3)cc2=O)cc1 ZINC000822223856 599692969 /nfs/dbraw/zinc/69/29/69/599692969.db2.gz MNUKRDJRLSFGRS-UHFFFAOYSA-N -2 3 375.392 1.584 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](CN2CCCC2=O)c2ccccc2)o1 ZINC000740173337 599772484 /nfs/dbraw/zinc/77/24/84/599772484.db2.gz ITVDMGJBSLMZKY-ZDUSSCGKSA-N 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3 395.803 1.919 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(Cl)c1 ZINC000823284839 606839763 /nfs/dbraw/zinc/83/97/63/606839763.db2.gz KQVIHGVMXFETFP-UHFFFAOYSA-N -2 3 395.803 1.919 20 0 GDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000821666872 606866292 /nfs/dbraw/zinc/86/62/92/606866292.db2.gz KLFBWXBGJXVMFW-UHFFFAOYSA-N -2 3 393.356 1.299 20 0 GDADHL O=S(=O)([N-]c1cnn(CC2CC2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823588880 606866608 /nfs/dbraw/zinc/86/66/08/606866608.db2.gz DROKAMYXYRDLLE-UHFFFAOYSA-N -2 3 381.368 1.552 20 0 GDADHL O=S(=O)([N-]c1cnn(CC2CC2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823588880 606866611 /nfs/dbraw/zinc/86/66/11/606866611.db2.gz DROKAMYXYRDLLE-UHFFFAOYSA-N -2 3 381.368 1.552 20 0 GDADHL CC(C)([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1nccs1 ZINC000819991234 606891509 /nfs/dbraw/zinc/89/15/09/606891509.db2.gz CMJITURVARRZKZ-UHFFFAOYSA-N -2 3 386.409 1.815 20 0 GDADHL COC[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C)o1 ZINC000821683904 606894306 /nfs/dbraw/zinc/89/43/06/606894306.db2.gz MZHDUXVMAOUYIP-GFCCVEGCSA-N -2 3 399.379 1.712 20 0 GDADHL COC[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C)o1 ZINC000821683904 606894307 /nfs/dbraw/zinc/89/43/07/606894307.db2.gz MZHDUXVMAOUYIP-GFCCVEGCSA-N -2 3 399.379 1.712 20 0 GDADHL COc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000821703267 606917894 /nfs/dbraw/zinc/91/78/94/606917894.db2.gz XJVYIIVUYMWPKF-UHFFFAOYSA-N -2 3 377.357 1.133 20 0 GDADHL COc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000821703267 606917895 /nfs/dbraw/zinc/91/78/95/606917895.db2.gz XJVYIIVUYMWPKF-UHFFFAOYSA-N -2 3 377.357 1.133 20 0 GDADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc3nonc32)n1 ZINC000819971482 607001234 /nfs/dbraw/zinc/00/12/34/607001234.db2.gz MWLDCUWVMYEISF-UHFFFAOYSA-N -2 3 389.401 1.155 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)ccc1F ZINC000821667928 607025777 /nfs/dbraw/zinc/02/57/77/607025777.db2.gz HDKZASKRKMEAOE-UHFFFAOYSA-N -2 3 384.374 1.050 20 0 GDADHL C[C@@H](CN(Cc1ccccc1)C(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000820253993 607102284 /nfs/dbraw/zinc/10/22/84/607102284.db2.gz LOBWISRMXXTEMU-AWEZNQCLSA-N -2 3 395.419 1.995 20 0 GDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000820542036 607102896 /nfs/dbraw/zinc/10/28/96/607102896.db2.gz LDMQMHZQEUOSPR-LRDDRELGSA-N -2 3 393.403 1.672 20 0 GDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000820542036 607102897 /nfs/dbraw/zinc/10/28/97/607102897.db2.gz LDMQMHZQEUOSPR-LRDDRELGSA-N -2 3 393.403 1.672 20 0 GDADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000821700796 607103080 /nfs/dbraw/zinc/10/30/80/607103080.db2.gz YJVCFIYVVGLOFJ-UHFFFAOYSA-N -2 3 397.391 1.368 20 0 GDADHL O=C([O-])CC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823387260 607106057 /nfs/dbraw/zinc/10/60/57/607106057.db2.gz GTZIXXMPZWKONP-MRXNPFEDSA-N -2 3 381.392 1.968 20 0 GDADHL O=C(C=CSCc1ccco1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822922833 607130649 /nfs/dbraw/zinc/13/06/49/607130649.db2.gz KOOLZVGEANGZGN-SOFGYWHQSA-N -2 3 391.434 1.712 20 0 GDADHL O=C(C=CSCc1ccco1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822922833 607130651 /nfs/dbraw/zinc/13/06/51/607130651.db2.gz KOOLZVGEANGZGN-SOFGYWHQSA-N -2 3 391.434 1.712 20 0 GDADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822553003 607172252 /nfs/dbraw/zinc/17/22/52/607172252.db2.gz HDNXNHYMQMZJQV-UHFFFAOYSA-N -2 3 398.857 1.790 20 0 GDADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822553003 607172253 /nfs/dbraw/zinc/17/22/53/607172253.db2.gz HDNXNHYMQMZJQV-UHFFFAOYSA-N -2 3 398.857 1.790 20 0 GDADHL Cc1ccncc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822379213 607185276 /nfs/dbraw/zinc/18/52/76/607185276.db2.gz MFLWCKTVBWNVKG-UHFFFAOYSA-N -2 3 378.801 1.342 20 0 GDADHL Cc1ccncc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822379213 607185277 /nfs/dbraw/zinc/18/52/77/607185277.db2.gz MFLWCKTVBWNVKG-UHFFFAOYSA-N -2 3 378.801 1.342 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(F)c2ncccc12)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450427 607777602 /nfs/dbraw/zinc/77/76/02/607777602.db2.gz LWOUBLGHIPWXJM-UHFFFAOYSA-N -2 3 387.356 1.001 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(F)c2ncccc12)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450427 607777603 /nfs/dbraw/zinc/77/76/03/607777603.db2.gz LWOUBLGHIPWXJM-UHFFFAOYSA-N -2 3 387.356 1.001 20 0 GDADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826402492 607925642 /nfs/dbraw/zinc/92/56/42/607925642.db2.gz VTLJWTVVSARPKS-AATRIKPKSA-N -2 3 390.812 1.433 20 0 GDADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826402492 607925643 /nfs/dbraw/zinc/92/56/43/607925643.db2.gz VTLJWTVVSARPKS-AATRIKPKSA-N -2 3 390.812 1.433 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826249590 607925677 /nfs/dbraw/zinc/92/56/77/607925677.db2.gz KNFLXLRTPITQSF-UHFFFAOYSA-N -2 3 378.801 1.342 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826249590 607925678 /nfs/dbraw/zinc/92/56/78/607925678.db2.gz KNFLXLRTPITQSF-UHFFFAOYSA-N -2 3 378.801 1.342 20 0 GDADHL CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000825029689 608038729 /nfs/dbraw/zinc/03/87/29/608038729.db2.gz YHYYSEFRXBDSAH-XVNBXDOJSA-N -2 3 375.332 1.657 20 0 GDADHL CC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000825029689 608038730 /nfs/dbraw/zinc/03/87/30/608038730.db2.gz YHYYSEFRXBDSAH-XVNBXDOJSA-N -2 3 375.332 1.657 20 0 GDADHL O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826483141 608108079 /nfs/dbraw/zinc/10/80/79/608108079.db2.gz CIFMKGZNWYKNIM-UHFFFAOYSA-N -2 3 391.796 1.991 20 0 GDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000825576828 608325084 /nfs/dbraw/zinc/32/50/84/608325084.db2.gz OIZSJELOJFRZCE-UHFFFAOYSA-N -2 3 380.411 1.301 20 0 GDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000825576828 608325086 /nfs/dbraw/zinc/32/50/86/608325086.db2.gz OIZSJELOJFRZCE-UHFFFAOYSA-N -2 3 380.411 1.301 20 0 GDADHL COc1c(C)cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826167134 608331504 /nfs/dbraw/zinc/33/15/04/608331504.db2.gz QSCPICPRXAYPGY-UHFFFAOYSA-N -2 3 387.421 1.611 20 0 GDADHL COc1c(C)cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826167134 608331505 /nfs/dbraw/zinc/33/15/05/608331505.db2.gz QSCPICPRXAYPGY-UHFFFAOYSA-N -2 3 387.421 1.611 20 0 GDADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826452703 608569390 /nfs/dbraw/zinc/56/93/90/608569390.db2.gz DOHUHLJKRNHFGL-UHFFFAOYSA-N -2 3 384.743 1.511 20 0 GDADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826452703 608569391 /nfs/dbraw/zinc/56/93/91/608569391.db2.gz DOHUHLJKRNHFGL-UHFFFAOYSA-N -2 3 384.743 1.511 20 0 GDADHL CC[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000825184439 609149437 /nfs/dbraw/zinc/14/94/37/609149437.db2.gz 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CC[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000825182510 609403925 /nfs/dbraw/zinc/40/39/25/609403925.db2.gz KLIXNUHBDMHGNU-TZMCWYRMSA-N -2 3 393.469 1.575 20 0 GDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)cc2CS(C)(=O)=O)c1 ZINC000538298974 650308500 /nfs/dbraw/zinc/30/85/00/650308500.db2.gz UDOODHFNADSMEK-UHFFFAOYSA-N -2 3 389.426 1.885 20 0 GDADHL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000541800587 650390956 /nfs/dbraw/zinc/39/09/56/650390956.db2.gz HRGJICIKIUHISW-UHFFFAOYSA-N -3 3 380.765 1.723 20 0 GDADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)n1 ZINC000547558842 650502888 /nfs/dbraw/zinc/50/28/88/650502888.db2.gz QMLZYZMSYFWXBN-UHFFFAOYSA-N -2 3 390.826 1.744 20 0 GDADHL C[C@@](C[N-]S(=O)(=O)c1ccc(Br)cc1F)(CC(=O)[O-])C(=O)[O-] ZINC000547611171 650508577 /nfs/dbraw/zinc/50/85/77/650508577.db2.gz GLYLUGDBSMTRLP-LBPRGKRZSA-N -3 3 398.206 1.432 20 0 GDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCOC1 ZINC000547873411 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0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cc1ccccc1F ZINC000737300449 598975166 /nfs/dbraw/zinc/97/51/66/598975166.db2.gz XXCNYSZMVGXPJN-UHFFFAOYSA-N -2 3 375.385 1.362 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cc1ccccc1F ZINC000737300449 598975168 /nfs/dbraw/zinc/97/51/68/598975168.db2.gz XXCNYSZMVGXPJN-UHFFFAOYSA-N -2 3 375.385 1.362 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000737299957 598977068 /nfs/dbraw/zinc/97/70/68/598977068.db2.gz SOBHHFKSACTJQZ-BXUZGUMPSA-N -2 3 393.469 1.575 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000737299957 598977070 /nfs/dbraw/zinc/97/70/70/598977070.db2.gz SOBHHFKSACTJQZ-BXUZGUMPSA-N -2 3 393.469 1.575 20 0 GDADHL Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737612620 599025745 /nfs/dbraw/zinc/02/57/45/599025745.db2.gz LITJVVNFOGTAOC-UHFFFAOYSA-N -2 3 396.432 1.618 20 0 GDADHL Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737612620 599025747 /nfs/dbraw/zinc/02/57/47/599025747.db2.gz LITJVVNFOGTAOC-UHFFFAOYSA-N -2 3 396.432 1.618 20 0 GDADHL COCCS(=O)(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737013335 599029858 /nfs/dbraw/zinc/02/98/58/599029858.db2.gz FKQIEGUOFYYEHR-UHFFFAOYSA-N -2 3 380.455 1.302 20 0 GDADHL COCCS(=O)(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737013335 599029860 /nfs/dbraw/zinc/02/98/60/599029860.db2.gz FKQIEGUOFYYEHR-UHFFFAOYSA-N -2 3 380.455 1.302 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nncn1Cc1ccccc1 ZINC000737226636 599030099 /nfs/dbraw/zinc/03/00/99/599030099.db2.gz XIIMCIFXFVEOCI-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nncn1Cc1ccccc1 ZINC000737226636 599030101 /nfs/dbraw/zinc/03/01/01/599030101.db2.gz XIIMCIFXFVEOCI-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC)cs1 ZINC000821667857 599301560 /nfs/dbraw/zinc/30/15/60/599301560.db2.gz DEAVWTBIYAOWFT-UHFFFAOYSA-N -2 3 395.422 1.524 20 0 GDADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737794062 599284288 /nfs/dbraw/zinc/28/42/88/599284288.db2.gz BBCTYJQRSLSRPY-FLIBITNWSA-N -2 3 375.454 1.949 20 0 GDADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737794062 599284290 /nfs/dbraw/zinc/28/42/90/599284290.db2.gz BBCTYJQRSLSRPY-FLIBITNWSA-N -2 3 375.454 1.949 20 0 GDADHL O=C([O-])c1cccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000821548180 598143089 /nfs/dbraw/zinc/14/30/89/598143089.db2.gz GMDRAOFIRHOGIC-UHFFFAOYSA-N -2 3 388.854 1.808 20 0 GDADHL O=C(CCc1ccco1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737859884 598415405 /nfs/dbraw/zinc/41/54/05/598415405.db2.gz CPKLAOHJGQWRRU-UHFFFAOYSA-N -2 3 381.801 1.551 20 0 GDADHL O=C(CCc1ccco1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737859884 598415407 /nfs/dbraw/zinc/41/54/07/598415407.db2.gz CPKLAOHJGQWRRU-UHFFFAOYSA-N -2 3 381.801 1.551 20 0 GDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000486912849 598449266 /nfs/dbraw/zinc/44/92/66/598449266.db2.gz UXWOXVTXOSKRDH-UHFFFAOYSA-N -2 3 377.357 1.593 20 0 GDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000486912849 598449267 /nfs/dbraw/zinc/44/92/67/598449267.db2.gz UXWOXVTXOSKRDH-UHFFFAOYSA-N -2 3 377.357 1.593 20 0 GDADHL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738215927 598514084 /nfs/dbraw/zinc/51/40/84/598514084.db2.gz SUVYHJXWZVSMAF-BPNCWPANSA-N -2 3 377.426 1.273 20 0 GDADHL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738215927 598514086 /nfs/dbraw/zinc/51/40/86/598514086.db2.gz SUVYHJXWZVSMAF-BPNCWPANSA-N -2 3 377.426 1.273 20 0 GDADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000737071238 598516247 /nfs/dbraw/zinc/51/62/47/598516247.db2.gz GPTLEPANXGIKAB-UHFFFAOYSA-N -2 3 393.812 1.647 20 0 GDADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000737071238 598516249 /nfs/dbraw/zinc/51/62/49/598516249.db2.gz GPTLEPANXGIKAB-UHFFFAOYSA-N -2 3 393.812 1.647 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ncoc1-c1ccccc1 ZINC000738137793 598751608 /nfs/dbraw/zinc/75/16/08/598751608.db2.gz AVBFNFXJAWORCJ-UHFFFAOYSA-N -2 3 396.388 1.640 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ncoc1-c1ccccc1 ZINC000738137793 598751609 /nfs/dbraw/zinc/75/16/09/598751609.db2.gz AVBFNFXJAWORCJ-UHFFFAOYSA-N -2 3 396.388 1.640 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c(C(N)=O)cc1F ZINC000737281201 599471454 /nfs/dbraw/zinc/47/14/54/599471454.db2.gz RIZKXNGNSICXPO-UHFFFAOYSA-N -2 3 376.373 1.214 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c(C(N)=O)cc1F ZINC000737281201 599471457 /nfs/dbraw/zinc/47/14/57/599471457.db2.gz RIZKXNGNSICXPO-UHFFFAOYSA-N -2 3 376.373 1.214 20 0 GDADHL CCCS(=O)(=O)[N-]C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736498704 599617784 /nfs/dbraw/zinc/61/77/84/599617784.db2.gz XYBPBCXZHMQPAJ-UHFFFAOYSA-N -2 3 391.409 1.508 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823285582 599620238 /nfs/dbraw/zinc/62/02/38/599620238.db2.gz XEXWGQGOGHOXCV-CABCVRRESA-N -2 3 375.454 1.888 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823285582 599620239 /nfs/dbraw/zinc/62/02/39/599620239.db2.gz XEXWGQGOGHOXCV-CABCVRRESA-N -2 3 375.454 1.888 20 0 GDADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c(C)c1 ZINC000821772814 599624664 /nfs/dbraw/zinc/62/46/64/599624664.db2.gz QTUTUGYMULNZBK-UHFFFAOYSA-N -2 3 387.421 1.611 20 0 GDADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c(C)c1 ZINC000821772814 599624665 /nfs/dbraw/zinc/62/46/65/599624665.db2.gz QTUTUGYMULNZBK-UHFFFAOYSA-N -2 3 387.421 1.611 20 0 GDADHL O=C([N-]S(=O)(=O)CCSc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823285532 599627622 /nfs/dbraw/zinc/62/76/22/599627622.db2.gz VVDFVIHKXMSQBV-UHFFFAOYSA-N -2 3 389.462 1.719 20 0 GDADHL O=C([N-]S(=O)(=O)CCSc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823285532 599627623 /nfs/dbraw/zinc/62/76/23/599627623.db2.gz VVDFVIHKXMSQBV-UHFFFAOYSA-N -2 3 389.462 1.719 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)N2CCOCC2)o1 ZINC000740175659 599769460 /nfs/dbraw/zinc/76/94/60/599769460.db2.gz RPXAFOZCCXKWIR-AWEZNQCLSA-N -2 3 380.422 1.330 20 0 GDADHL C[C@H](CNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)C(=O)[O-] ZINC000736600368 599779931 /nfs/dbraw/zinc/77/99/31/599779931.db2.gz DOTQUGHGBCPLRY-SSDOTTSWSA-N -2 3 395.264 1.885 20 0 GDADHL Cc1ccsc1[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826316605 607398170 /nfs/dbraw/zinc/39/81/70/607398170.db2.gz SNMNLXKOYQXNNI-STQMWFEESA-N -2 3 389.462 1.845 20 0 GDADHL Cc1ccsc1[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826316605 607398171 /nfs/dbraw/zinc/39/81/71/607398171.db2.gz SNMNLXKOYQXNNI-STQMWFEESA-N -2 3 389.462 1.845 20 0 GDADHL O=C([O-])CCCCCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000739668448 599886232 /nfs/dbraw/zinc/88/62/32/599886232.db2.gz SELIMCVZXCPLKC-UHFFFAOYSA-N -2 3 390.408 1.780 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)c1sccc1-c1nnn[n-]1 ZINC000826449938 607415558 /nfs/dbraw/zinc/41/55/58/607415558.db2.gz PRGSRHJNMYLUNI-UHFFFAOYSA-N -2 3 385.377 1.466 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)c1sccc1-c1nn[n-]n1 ZINC000826449938 607415560 /nfs/dbraw/zinc/41/55/60/607415560.db2.gz PRGSRHJNMYLUNI-UHFFFAOYSA-N -2 3 385.377 1.466 20 0 GDADHL O=C([O-])[C@@H]1CC12CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)CC2 ZINC000739527802 600272919 /nfs/dbraw/zinc/27/29/19/600272919.db2.gz UYUIUTXVWFLTMT-VIFPVBQESA-N -2 3 392.886 1.393 20 0 GDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(OCC(=O)[O-])c2)c1 ZINC000737690671 600636290 /nfs/dbraw/zinc/63/62/90/600636290.db2.gz FPBFGMXBCNLSLF-UHFFFAOYSA-N -2 3 397.380 1.554 20 0 GDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c(F)c1 ZINC000833086265 600831751 /nfs/dbraw/zinc/83/17/51/600831751.db2.gz HKACCHZVIWCRBS-UHFFFAOYSA-N -2 3 382.369 1.579 20 0 GDADHL COC(=O)c1sc2[n-]c(CS[C@H](C)[C@H](C)O)nc(=O)c2c1CC(=O)[O-] ZINC000831480220 600844126 /nfs/dbraw/zinc/84/41/26/600844126.db2.gz ZOUVLMZWXDEAHL-NKWVEPMBSA-N -2 3 386.451 1.401 20 0 GDADHL CC(C)C[C@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000736404603 600923198 /nfs/dbraw/zinc/92/31/98/600923198.db2.gz XADOLVQTCNPIFT-GFCCVEGCSA-N -2 3 386.445 1.743 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(OC)cc2)oc1C ZINC000614312827 601215104 /nfs/dbraw/zinc/21/51/04/601215104.db2.gz BAWDLKNTHJLJNP-CQSZACIVSA-N -2 3 397.405 1.878 20 0 GDADHL CC(C)c1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820206094 607495841 /nfs/dbraw/zinc/49/58/41/607495841.db2.gz DEJPGIYIKGCBKK-UHFFFAOYSA-N -2 3 392.466 1.706 20 0 GDADHL CC(C)c1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820206094 607495843 /nfs/dbraw/zinc/49/58/43/607495843.db2.gz DEJPGIYIKGCBKK-UHFFFAOYSA-N -2 3 392.466 1.706 20 0 GDADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)c1F ZINC000760121955 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Cc1c([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cccc1C(=O)[O-] ZINC000822123161 606866375 /nfs/dbraw/zinc/86/63/75/606866375.db2.gz UTPLOPHMXZRWSS-UHFFFAOYSA-N -3 3 395.347 1.952 20 0 GDADHL Cc1ccc(OCC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822262567 606883666 /nfs/dbraw/zinc/88/36/66/606883666.db2.gz BLMGOPMVTPUIRI-UHFFFAOYSA-N -2 3 395.391 1.811 20 0 GDADHL O=C(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)Nc1ccccc1 ZINC000823009560 606888832 /nfs/dbraw/zinc/88/88/32/606888832.db2.gz MYWMONPWQKDKPC-UHFFFAOYSA-N -2 3 394.363 1.062 20 0 GDADHL Cn1c(Cl)cnc1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822596616 606890947 /nfs/dbraw/zinc/89/09/47/606890947.db2.gz NLWYZNSUWOJSEX-UHFFFAOYSA-N -2 3 389.775 1.010 20 0 GDADHL O=S(=O)([N-]c1ccc(Br)nc1)c1ccccc1-c1nnn[n-]1 ZINC000823589071 606981130 /nfs/dbraw/zinc/98/11/30/606981130.db2.gz LGYGKGJMNLINSE-UHFFFAOYSA-N -2 3 381.215 1.825 20 0 GDADHL O=S(=O)([N-]c1ccc(Br)nc1)c1ccccc1-c1nn[n-]n1 ZINC000823589071 606981131 /nfs/dbraw/zinc/98/11/31/606981131.db2.gz LGYGKGJMNLINSE-UHFFFAOYSA-N -2 3 381.215 1.825 20 0 GDADHL CC[C@](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)(C(=O)[O-])c1ccccc1 ZINC000820913323 607104511 /nfs/dbraw/zinc/10/45/11/607104511.db2.gz FNZKKOPKGZSUFW-LJQANCHMSA-N -2 3 381.392 1.752 20 0 GDADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000821700366 607109167 /nfs/dbraw/zinc/10/91/67/607109167.db2.gz MBDLZPWYDPJESW-UHFFFAOYSA-N -2 3 389.412 1.548 20 0 GDADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000822554192 607172407 /nfs/dbraw/zinc/17/24/07/607172407.db2.gz WLHNGDZSJSNZNA-UHFFFAOYSA-N -2 3 382.402 1.275 20 0 GDADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000822554192 607172408 /nfs/dbraw/zinc/17/24/08/607172408.db2.gz WLHNGDZSJSNZNA-UHFFFAOYSA-N -2 3 382.402 1.275 20 0 GDADHL O=C([O-])c1cc(F)ccc1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826462290 607827862 /nfs/dbraw/zinc/82/78/62/607827862.db2.gz UCNDZJIXIAFQNQ-UHFFFAOYSA-N -2 3 395.347 1.785 20 0 GDADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826461858 607933744 /nfs/dbraw/zinc/93/37/44/607933744.db2.gz IREVAFJHJBIUNX-UHFFFAOYSA-N -3 3 387.377 1.022 20 0 GDADHL Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C(F)F ZINC000826366723 607983048 /nfs/dbraw/zinc/98/30/48/607983048.db2.gz VHKUWPVWEPORBE-UHFFFAOYSA-N -2 3 389.775 1.992 20 0 GDADHL Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C(F)F ZINC000826366723 607983049 /nfs/dbraw/zinc/98/30/49/607983049.db2.gz VHKUWPVWEPORBE-UHFFFAOYSA-N -2 3 389.775 1.992 20 0 GDADHL COC1CCC(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000826144401 607985309 /nfs/dbraw/zinc/98/53/09/607985309.db2.gz IOWOLTGOXIDSSS-UHFFFAOYSA-N -2 3 393.469 1.408 20 0 GDADHL COC1CCC(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000826144401 607985310 /nfs/dbraw/zinc/98/53/10/607985310.db2.gz IOWOLTGOXIDSSS-UHFFFAOYSA-N -2 3 393.469 1.408 20 0 GDADHL O=C(CCc1cccnc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826409209 607991495 /nfs/dbraw/zinc/99/14/95/607991495.db2.gz NCHRYVSVLQSLFD-UHFFFAOYSA-N -2 3 392.828 1.353 20 0 GDADHL O=C(CCc1cccnc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826409209 607991496 /nfs/dbraw/zinc/99/14/96/607991496.db2.gz NCHRYVSVLQSLFD-UHFFFAOYSA-N -2 3 392.828 1.353 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1scnc1C1CC1 ZINC000826450413 608039448 /nfs/dbraw/zinc/03/94/48/608039448.db2.gz LEIKFRMHXJMDST-UHFFFAOYSA-N -2 3 376.423 1.319 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1scnc1C1CC1 ZINC000826450413 608039449 /nfs/dbraw/zinc/03/94/49/608039449.db2.gz LEIKFRMHXJMDST-UHFFFAOYSA-N -2 3 376.423 1.319 20 0 GDADHL O=S(=O)([N-]c1c(F)cccc1CO)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826492546 608095392 /nfs/dbraw/zinc/09/53/92/608095392.db2.gz QEHSUWBTBUZAPB-UHFFFAOYSA-N -2 3 385.327 1.577 20 0 GDADHL O=S(=O)([N-]c1c(F)cccc1CO)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826492546 608095393 /nfs/dbraw/zinc/09/53/93/608095393.db2.gz QEHSUWBTBUZAPB-UHFFFAOYSA-N -2 3 385.327 1.577 20 0 GDADHL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)c(Cl)c3)cc12 ZINC000826322209 608106895 /nfs/dbraw/zinc/10/68/95/608106895.db2.gz CPLCGYSDZHCHGU-UHFFFAOYSA-N -2 3 390.816 1.901 20 0 GDADHL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)c(Cl)c3)cc12 ZINC000826322209 608106896 /nfs/dbraw/zinc/10/68/96/608106896.db2.gz CPLCGYSDZHCHGU-UHFFFAOYSA-N -2 3 390.816 1.901 20 0 GDADHL CCCOc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825341913 608146147 /nfs/dbraw/zinc/14/61/47/608146147.db2.gz MPFFTTSUIBZMPE-UHFFFAOYSA-N -2 3 376.398 1.102 20 0 GDADHL CCCOc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825341913 608146148 /nfs/dbraw/zinc/14/61/48/608146148.db2.gz MPFFTTSUIBZMPE-UHFFFAOYSA-N -2 3 376.398 1.102 20 0 GDADHL O=C(C=Cc1ccnc(Cl)c1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826402986 608194727 /nfs/dbraw/zinc/19/47/27/608194727.db2.gz HFKFITNZIUOCAT-SNAWJCMRSA-N -2 3 390.812 1.433 20 0 GDADHL O=C(C=Cc1ccnc(Cl)c1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826402986 608194728 /nfs/dbraw/zinc/19/47/28/608194728.db2.gz HFKFITNZIUOCAT-SNAWJCMRSA-N -2 3 390.812 1.433 20 0 GDADHL CCOc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1OCC ZINC000825643943 608304932 /nfs/dbraw/zinc/30/49/32/608304932.db2.gz XOVDCPMTBBCUSW-UHFFFAOYSA-N -2 3 379.402 1.188 20 0 GDADHL Cc1scc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1C ZINC000826279149 608331700 /nfs/dbraw/zinc/33/17/00/608331700.db2.gz HHNWZYGSIAYWDZ-UHFFFAOYSA-N -2 3 377.451 1.972 20 0 GDADHL Cc1scc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1C ZINC000826279149 608331702 /nfs/dbraw/zinc/33/17/02/608331702.db2.gz HHNWZYGSIAYWDZ-UHFFFAOYSA-N -2 3 377.451 1.972 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C(=O)COc2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000826272653 608476545 /nfs/dbraw/zinc/47/65/45/608476545.db2.gz UYZVAYCVPBYVAK-UHFFFAOYSA-N -2 3 393.450 1.429 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nncn1-c1ccccc1 ZINC000826280114 608490235 /nfs/dbraw/zinc/49/02/35/608490235.db2.gz NYFZWQHOEGWHEV-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nncn1-c1ccccc1 ZINC000826280114 608490236 /nfs/dbraw/zinc/49/02/36/608490236.db2.gz NYFZWQHOEGWHEV-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL CCC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825251198 609139436 /nfs/dbraw/zinc/13/94/36/609139436.db2.gz AORZVCAYCJGJMW-GJZGRUSLSA-N -2 3 393.469 1.408 20 0 GDADHL CCC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825251198 609139437 /nfs/dbraw/zinc/13/94/37/609139437.db2.gz AORZVCAYCJGJMW-GJZGRUSLSA-N -2 3 393.469 1.408 20 0 GDADHL CCC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000825252787 609148215 /nfs/dbraw/zinc/14/82/15/609148215.db2.gz KDTOMQALVWOMFD-KBPBESRZSA-N -2 3 393.469 1.575 20 0 GDADHL CCC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000825252787 609148216 /nfs/dbraw/zinc/14/82/16/609148216.db2.gz KDTOMQALVWOMFD-KBPBESRZSA-N -2 3 393.469 1.575 20 0 GDADHL Cn1cnc2cc(C(=O)[N-]S(=O)(=O)Cc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000826364863 609255488 /nfs/dbraw/zinc/25/54/88/609255488.db2.gz OKNKDRSXEZBWRX-UHFFFAOYSA-N -2 3 397.420 1.013 20 0 GDADHL Cn1cnc2cc(C(=O)[N-]S(=O)(=O)Cc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826364863 609255490 /nfs/dbraw/zinc/25/54/90/609255490.db2.gz OKNKDRSXEZBWRX-UHFFFAOYSA-N -2 3 397.420 1.013 20 0 GDADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000824385137 609468294 /nfs/dbraw/zinc/46/82/94/609468294.db2.gz MPKRZPFVEGMIBX-SNVBAGLBSA-N -3 3 388.409 1.641 20 0 GDADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000824385137 609468295 /nfs/dbraw/zinc/46/82/95/609468295.db2.gz MPKRZPFVEGMIBX-SNVBAGLBSA-N -3 3 388.409 1.641 20 0 GDADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000826162528 609469320 /nfs/dbraw/zinc/46/93/20/609469320.db2.gz GVCFVWVFFFESDI-ZDUSSCGKSA-N -2 3 397.457 1.203 20 0 GDADHL COc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000826186796 609527939 /nfs/dbraw/zinc/52/79/39/609527939.db2.gz LBWYNMXHNNUODH-UHFFFAOYSA-N -2 3 375.414 1.209 20 0 GDADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000826186796 609527941 /nfs/dbraw/zinc/52/79/41/609527941.db2.gz LBWYNMXHNNUODH-UHFFFAOYSA-N -2 3 375.414 1.209 20 0 GDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826461521 609528965 /nfs/dbraw/zinc/52/89/65/609528965.db2.gz YENJPHIEJPVXBJ-UHFFFAOYSA-N -3 3 393.812 1.948 20 0 GDADHL O=S(=O)([N-]C[C@H]1CCCCS1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490334 609609750 /nfs/dbraw/zinc/60/97/50/609609750.db2.gz REHZFRUJYFEXOH-SECBINFHSA-N -2 3 375.426 1.709 20 0 GDADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000533166210 650044576 /nfs/dbraw/zinc/04/45/76/650044576.db2.gz UCPPXZNMBPPESX-UHFFFAOYSA-N -2 3 390.874 1.798 20 0 GDADHL C[C@](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])(CC(=O)[O-])C(=O)[O-] ZINC000547609262 650507872 /nfs/dbraw/zinc/50/78/72/650507872.db2.gz 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GDADHL CCCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3cccc(Cl)c3F)nc2n1 ZINC000565442824 650797228 /nfs/dbraw/zinc/79/72/28/650797228.db2.gz DRRKNSSOXZVLOB-UHFFFAOYSA-N -2 3 385.808 1.963 20 0 GDADHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)cc1Br ZINC000007386088 644209241 /nfs/dbraw/zinc/20/92/41/644209241.db2.gz URWNDBSNNLAQGW-UHFFFAOYSA-N -2 3 386.227 1.476 20 0 GDADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)CSc2ccc(C)cc2)o1 ZINC000031552522 644310857 /nfs/dbraw/zinc/31/08/57/644310857.db2.gz WTJROZKPERIREU-UHFFFAOYSA-N -2 3 383.451 1.049 20 0 GDADHL COCCc1ccc(S(=O)(=O)[N-][N-]C(=O)NCCc2cccs2)cc1 ZINC000068406256 644561229 /nfs/dbraw/zinc/56/12/29/644561229.db2.gz JNTHKBHKCABLRA-UHFFFAOYSA-N -2 3 383.495 1.672 20 0 GDADHL COC(C)(C)c1nc(C)c(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)s1 ZINC000568332507 650953157 /nfs/dbraw/zinc/95/31/57/650953157.db2.gz AZCCQNLKHBDHAQ-UHFFFAOYSA-N -2 3 391.500 1.808 20 0 GDADHL CSc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)s1 ZINC000445550194 647269396 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C[C@H](CNC(=O)c1ncccc1[O-])Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575067432 951611769 /nfs/dbraw/zinc/61/17/69/951611769.db2.gz LXPBSFZMFVUGOH-ZCFIWIBFSA-N -2 3 380.821 1.308 20 0 GDADHL C[C@H](CNC(=O)c1ncccc1[O-])Nc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001575067432 951611776 /nfs/dbraw/zinc/61/17/76/951611776.db2.gz LXPBSFZMFVUGOH-ZCFIWIBFSA-N -2 3 380.821 1.308 20 0 GDADHL O=C(N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)c1ncccc1[O-] ZINC001571218712 953117908 /nfs/dbraw/zinc/11/79/08/953117908.db2.gz ZLDLMGICIJEWTC-LBPRGKRZSA-N -2 3 383.387 1.111 20 0 GDADHL Cn1cc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c(Br)n1 ZINC001594549121 955706054 /nfs/dbraw/zinc/70/60/54/955706054.db2.gz ARWPYWWJDFTSRO-MRVPVSSYSA-N -2 3 382.280 1.740 20 0 GDADHL C[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001589117072 956099545 /nfs/dbraw/zinc/09/95/45/956099545.db2.gz RJWGPOXSWBQYIO-VXGBXAGGSA-N -2 3 387.392 1.644 20 0 GDADHL O=C([O-])c1cc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1O ZINC001594697305 956784522 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PUKBXAWUIXXLGM-UHFFFAOYSA-N -2 3 376.398 1.388 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnn(-c2ccccn2)c1 ZINC000737226076 598950305 /nfs/dbraw/zinc/95/03/05/598950305.db2.gz NRKNEQZORVUGFB-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnn(-c2ccccn2)c1 ZINC000737226076 598950306 /nfs/dbraw/zinc/95/03/06/598950306.db2.gz NRKNEQZORVUGFB-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccccc1 ZINC000737297954 598975033 /nfs/dbraw/zinc/97/50/33/598975033.db2.gz HFINHJPIFAMRIR-ZDUSSCGKSA-N -2 3 385.449 1.859 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1ccccc1 ZINC000737297954 598975035 /nfs/dbraw/zinc/97/50/35/598975035.db2.gz HFINHJPIFAMRIR-ZDUSSCGKSA-N -2 3 385.449 1.859 20 0 GDADHL CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000735499644 599025046 /nfs/dbraw/zinc/02/50/46/599025046.db2.gz QEXLYZMZHVSRFL-UHFFFAOYSA-N -2 3 377.407 1.250 20 0 GDADHL CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000735499644 599025047 /nfs/dbraw/zinc/02/50/47/599025047.db2.gz QEXLYZMZHVSRFL-UHFFFAOYSA-N -2 3 377.407 1.250 20 0 GDADHL Cc1cccc2c(CC(=O)[N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)c[nH]c21 ZINC000737411197 599061698 /nfs/dbraw/zinc/06/16/98/599061698.db2.gz ZGQBXZCDJFVJFE-UHFFFAOYSA-N -2 3 396.432 1.704 20 0 GDADHL Cc1cccc2c(CC(=O)[N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)c[nH]c21 ZINC000737411197 599061702 /nfs/dbraw/zinc/06/17/02/599061702.db2.gz ZGQBXZCDJFVJFE-UHFFFAOYSA-N -2 3 396.432 1.704 20 0 GDADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c(C)nn(CC)c1C ZINC000736634991 599098556 /nfs/dbraw/zinc/09/85/56/599098556.db2.gz OXKNQFJGNCRXOA-UHFFFAOYSA-N -2 3 391.457 1.899 20 0 GDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000736185848 599220804 /nfs/dbraw/zinc/22/08/04/599220804.db2.gz WDPNAVWQRFIGTQ-NSHDSACASA-N -2 3 379.376 1.922 20 0 GDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000736185848 599220807 /nfs/dbraw/zinc/22/08/07/599220807.db2.gz WDPNAVWQRFIGTQ-NSHDSACASA-N -2 3 379.376 1.922 20 0 GDADHL CCOCCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000821373050 607302351 /nfs/dbraw/zinc/30/23/51/607302351.db2.gz CFGCYEYFNUSMII-UHFFFAOYSA-N -2 3 393.469 1.410 20 0 GDADHL CCOCCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000821373050 607302352 /nfs/dbraw/zinc/30/23/52/607302352.db2.gz CFGCYEYFNUSMII-UHFFFAOYSA-N -2 3 393.469 1.410 20 0 GDADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737794060 599284282 /nfs/dbraw/zinc/28/42/82/599284282.db2.gz BBCTYJQRSLSRPY-DHZHZOJOSA-N -2 3 375.454 1.949 20 0 GDADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737794060 599284284 /nfs/dbraw/zinc/28/42/84/599284284.db2.gz BBCTYJQRSLSRPY-DHZHZOJOSA-N -2 3 375.454 1.949 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nc2c(s1)COCC2 ZINC000737301738 599286131 /nfs/dbraw/zinc/28/61/31/599286131.db2.gz RLWUHEFQXYFHPA-UHFFFAOYSA-N -2 3 378.439 1.505 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nc2c(s1)COCC2 ZINC000737301738 599286132 /nfs/dbraw/zinc/28/61/32/599286132.db2.gz RLWUHEFQXYFHPA-UHFFFAOYSA-N -2 3 378.439 1.505 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2F)oc1C ZINC000821668094 607327984 /nfs/dbraw/zinc/32/79/84/607327984.db2.gz OINUYIFMHCRBMJ-UHFFFAOYSA-N -2 3 381.345 1.495 20 0 GDADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC000738178518 598287213 /nfs/dbraw/zinc/28/72/13/598287213.db2.gz UTWXMSMBQRVQJA-UHFFFAOYSA-N -2 3 393.407 1.458 20 0 GDADHL Cc1cc2c[nH]nc2c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737236580 598363334 /nfs/dbraw/zinc/36/33/34/598363334.db2.gz OELOLISGVDBXPO-UHFFFAOYSA-N -2 3 397.420 1.311 20 0 GDADHL Cc1cc2c[nH]nc2c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737236693 598363691 /nfs/dbraw/zinc/36/36/91/598363691.db2.gz QOXUSQKCJCFETH-UHFFFAOYSA-N -2 3 397.420 1.311 20 0 GDADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737328460 598415246 /nfs/dbraw/zinc/41/52/46/598415246.db2.gz CZZVUIFGPHERQN-UHFFFAOYSA-N -2 3 391.840 1.876 20 0 GDADHL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737328460 598415248 /nfs/dbraw/zinc/41/52/48/598415248.db2.gz CZZVUIFGPHERQN-UHFFFAOYSA-N -2 3 391.840 1.876 20 0 GDADHL Cn1nccc1S(=O)(=O)[N-]c1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000737629421 598450862 /nfs/dbraw/zinc/45/08/62/598450862.db2.gz UQTQHHGLGJRDCM-UHFFFAOYSA-N -2 3 398.408 1.588 20 0 GDADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000736166954 598503552 /nfs/dbraw/zinc/50/35/52/598503552.db2.gz BFGZEQFZZPCPSU-JTQLQIEISA-N -2 3 393.363 1.616 20 0 GDADHL CCSc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736667570 598536079 /nfs/dbraw/zinc/53/60/79/598536079.db2.gz SRQVBELACHAZCB-UHFFFAOYSA-N -2 3 390.450 1.492 20 0 GDADHL CCSc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736667570 598536080 /nfs/dbraw/zinc/53/60/80/598536080.db2.gz SRQVBELACHAZCB-UHFFFAOYSA-N -2 3 390.450 1.492 20 0 GDADHL CSc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000737192414 598785822 /nfs/dbraw/zinc/78/58/22/598785822.db2.gz JAPHVVHTNNUPBJ-UHFFFAOYSA-N -2 3 399.841 1.954 20 0 GDADHL CSc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000737192414 598785823 /nfs/dbraw/zinc/78/58/23/598785823.db2.gz JAPHVVHTNNUPBJ-UHFFFAOYSA-N -2 3 399.841 1.954 20 0 GDADHL Cc1ncc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737489016 598786340 /nfs/dbraw/zinc/78/63/40/598786340.db2.gz DXOTYIJKHBRJAI-SREVYHEPSA-N -2 3 390.450 1.291 20 0 GDADHL Cc1ncc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737489016 598786341 /nfs/dbraw/zinc/78/63/41/598786341.db2.gz DXOTYIJKHBRJAI-SREVYHEPSA-N -2 3 390.450 1.291 20 0 GDADHL O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000823242412 599491528 /nfs/dbraw/zinc/49/15/28/599491528.db2.gz YIVIMGCNGMSPGN-UHFFFAOYSA-N -2 3 397.395 1.873 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823285584 599620112 /nfs/dbraw/zinc/62/01/12/599620112.db2.gz XEXWGQGOGHOXCV-GJZGRUSLSA-N -2 3 375.454 1.888 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823285584 599620113 /nfs/dbraw/zinc/62/01/13/599620113.db2.gz XEXWGQGOGHOXCV-GJZGRUSLSA-N -2 3 375.454 1.888 20 0 GDADHL O=C(Cc1cc(F)ccc1F)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823074030 599620181 /nfs/dbraw/zinc/62/01/81/599620181.db2.gz JBNZBWLSAVLOKU-UHFFFAOYSA-N -2 3 379.348 1.193 20 0 GDADHL O=C(Cc1cc(F)ccc1F)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823074030 599620182 /nfs/dbraw/zinc/62/01/82/599620182.db2.gz JBNZBWLSAVLOKU-UHFFFAOYSA-N -2 3 379.348 1.193 20 0 GDADHL Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)o1 ZINC000822227340 599620295 /nfs/dbraw/zinc/62/02/95/599620295.db2.gz FMEWCJIEYVTIIE-LLVKDONJSA-N -2 3 375.410 1.518 20 0 GDADHL Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)o1 ZINC000822227340 599620296 /nfs/dbraw/zinc/62/02/96/599620296.db2.gz FMEWCJIEYVTIIE-LLVKDONJSA-N -2 3 375.410 1.518 20 0 GDADHL CCOC(=O)C1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)Cc2ccccc2C1 ZINC000737133806 599776731 /nfs/dbraw/zinc/77/67/31/599776731.db2.gz LBGIKUMZZUIFAI-UHFFFAOYSA-N -2 3 379.390 1.357 20 0 GDADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000543663827 599926730 /nfs/dbraw/zinc/92/67/30/599926730.db2.gz SKLASSYWXIRDHI-UHFFFAOYSA-N -2 3 396.446 1.726 20 0 GDADHL O=C([O-])[C@@H](CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)Cc1cccc(F)c1 ZINC000739407275 599982440 /nfs/dbraw/zinc/98/24/40/599982440.db2.gz GUEMDSTZDLUZTN-LLVKDONJSA-N -2 3 385.351 1.774 20 0 GDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1F ZINC000268894585 600017300 /nfs/dbraw/zinc/01/73/00/600017300.db2.gz BVNWPGRFSPWFLZ-GFCCVEGCSA-N -2 3 386.445 1.839 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000826449757 607415701 /nfs/dbraw/zinc/41/57/01/607415701.db2.gz IJWFODOEOAICPI-UHFFFAOYSA-N -2 3 379.348 1.405 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000826449757 607415703 /nfs/dbraw/zinc/41/57/03/607415703.db2.gz IJWFODOEOAICPI-UHFFFAOYSA-N -2 3 379.348 1.405 20 0 GDADHL Cc1ccc(C(=O)NCCC(=O)Nc2nnc(CCC(=O)[O-])s2)c([O-])c1 ZINC000738514964 600269255 /nfs/dbraw/zinc/26/92/55/600269255.db2.gz PEDJJDYJKOFNKS-UHFFFAOYSA-N -2 3 378.410 1.328 20 0 GDADHL CC(=O)NCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736151779 600632081 /nfs/dbraw/zinc/63/20/81/600632081.db2.gz FAONCVSLYYGZFY-UHFFFAOYSA-N -2 3 397.222 1.091 20 0 GDADHL CCCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000737024275 600632755 /nfs/dbraw/zinc/63/27/55/600632755.db2.gz FOSHMTJSZSOUHZ-UHFFFAOYSA-N -2 3 397.222 1.091 20 0 GDADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000824249413 607461474 /nfs/dbraw/zinc/46/14/74/607461474.db2.gz NAZKDCWSKFKKGA-UHFFFAOYSA-N -2 3 377.430 1.816 20 0 GDADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc2F)c1 ZINC000826319908 607462352 /nfs/dbraw/zinc/46/23/52/607462352.db2.gz YIQCQDNJDDLKEZ-UHFFFAOYSA-N -2 3 389.376 1.024 20 0 GDADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cc(Br)ccc1F ZINC000826492718 607462851 /nfs/dbraw/zinc/46/28/51/607462851.db2.gz ZRZAEXYRPUYJEY-UHFFFAOYSA-N -2 3 388.182 1.292 20 0 GDADHL COc1c(Br)c(C)sc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000831847112 600888259 /nfs/dbraw/zinc/88/82/59/600888259.db2.gz KFAOVZCQMFCSIG-UHFFFAOYSA-N -2 3 375.204 1.825 20 0 GDADHL C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000827957279 600921655 /nfs/dbraw/zinc/92/16/55/600921655.db2.gz NFOSKESSNCQJDG-SECBINFHSA-N -2 3 399.363 1.560 20 0 GDADHL CSc1nc(C)c(CCC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(=O)[n-]1 ZINC000832795154 601101855 /nfs/dbraw/zinc/10/18/55/601101855.db2.gz WHKPPXRGUQKURO-NSHDSACASA-N -2 3 382.486 1.153 20 0 GDADHL Cc1nc(C)c(CC(=O)O[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c(=O)[n-]1 ZINC000832994865 601105239 /nfs/dbraw/zinc/10/52/39/601105239.db2.gz QKSWJVHZSZABFF-LBPRGKRZSA-N -2 3 391.405 1.450 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1-n1cnnn1 ZINC000477403566 601117459 /nfs/dbraw/zinc/11/74/59/601117459.db2.gz HXWDBBFLHXUBGN-UHFFFAOYSA-N -2 3 389.393 1.478 20 0 GDADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1 ZINC000739741774 601118721 /nfs/dbraw/zinc/11/87/21/601118721.db2.gz FJILILDVJDNQLI-UHFFFAOYSA-N -3 3 379.390 1.968 20 0 GDADHL CCOC(=O)N[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)CC(C)C ZINC000829861195 601216152 /nfs/dbraw/zinc/21/61/52/601216152.db2.gz OTNVWWBDZRJBFN-NSHDSACASA-N -2 3 376.431 1.725 20 0 GDADHL CCc1nc(CN2CCC[C@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)C2)no1 ZINC000830314409 601221252 /nfs/dbraw/zinc/22/12/52/601221252.db2.gz MNFBEWVEYSUXGG-NSHDSACASA-N -2 3 398.441 1.175 20 0 GDADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C(=O)[O-] ZINC000833028734 601221381 /nfs/dbraw/zinc/22/13/81/601221381.db2.gz PPQXEYDVOPVKOV-SECBINFHSA-N -2 3 378.406 1.845 20 0 GDADHL Cc1oc(S(=O)(=O)[N-]CCc2csc(N3CCCC3)n2)cc1C(=O)[O-] ZINC000833027497 601222490 /nfs/dbraw/zinc/22/24/90/601222490.db2.gz UZLMDSNDDKUIBV-UHFFFAOYSA-N -2 3 385.467 1.864 20 0 GDADHL Cc1oc(S(=O)(=O)[N-][C@@](C)(C(N)=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000833029069 601226241 /nfs/dbraw/zinc/22/62/41/601226241.db2.gz YLAFUSILPOHGDY-OAHLLOKOSA-N -2 3 386.813 1.619 20 0 GDADHL CCOC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000829847654 601257673 /nfs/dbraw/zinc/25/76/73/601257673.db2.gz MINPHZPBSZCKMN-UHFFFAOYSA-N -2 3 398.206 1.518 20 0 GDADHL Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000363718292 601329973 /nfs/dbraw/zinc/32/99/73/601329973.db2.gz JCDQSBUKGFJDJN-UHFFFAOYSA-N -2 3 395.347 1.748 20 0 GDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N3CCC[C@@H](C(=O)[O-])C3)c2)n1 ZINC000422677037 601344328 /nfs/dbraw/zinc/34/43/28/601344328.db2.gz GRCPQCQFOMBODR-CYBMUJFWSA-N -2 3 398.419 1.673 20 0 GDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)cc2)ccc1F ZINC000738719245 601359714 /nfs/dbraw/zinc/35/97/14/601359714.db2.gz FUVIPDODNYISDY-UHFFFAOYSA-N -2 3 393.396 1.261 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)cc1 ZINC000425952711 601387170 /nfs/dbraw/zinc/38/71/70/601387170.db2.gz UBNWPCWAZMFBSO-UHFFFAOYSA-N -3 3 379.346 1.655 20 0 GDADHL Cc1nc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)sc1C(=O)[O-] ZINC000833004502 601436513 /nfs/dbraw/zinc/43/65/13/601436513.db2.gz XKRRLNPSYJJHSG-UHFFFAOYSA-N -2 3 395.871 1.782 20 0 GDADHL COC(=O)c1sc2[n-]c(CS[C@H](C)C(C)=O)nc(=O)c2c1CC(=O)[O-] ZINC000831478654 601477319 /nfs/dbraw/zinc/47/73/19/601477319.db2.gz CRPMBDAMLXWQEM-SSDOTTSWSA-N -2 3 384.435 1.609 20 0 GDADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1 ZINC000800025558 601595340 /nfs/dbraw/zinc/59/53/40/601595340.db2.gz VRCFCHVGERPRDY-LBPRGKRZSA-N -2 3 398.206 1.119 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(C(=O)CCc3ccccc3)C2)o1 ZINC000833325454 601809593 /nfs/dbraw/zinc/80/95/93/601809593.db2.gz YZLZVVZJHINGBP-AWEZNQCLSA-N -2 3 392.433 1.490 20 0 GDADHL CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)ccc21 ZINC000823989305 607533482 /nfs/dbraw/zinc/53/34/82/607533482.db2.gz TVJMHWMCOIPIOJ-UHFFFAOYSA-N -2 3 398.448 1.885 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(N)=O)c1-c1nnn[n-]1 ZINC000826303786 607534357 /nfs/dbraw/zinc/53/43/57/607534357.db2.gz FJXPTMQXLYSOJF-UHFFFAOYSA-N -2 3 392.828 1.728 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(N)=O)c1-c1nn[n-]n1 ZINC000826303786 607534359 /nfs/dbraw/zinc/53/43/59/607534359.db2.gz FJXPTMQXLYSOJF-UHFFFAOYSA-N -2 3 392.828 1.728 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2C)c1-c1nn[n-]n1 ZINC000826303875 607534748 /nfs/dbraw/zinc/53/47/48/607534748.db2.gz KCLSHVVJUIFOIP-UHFFFAOYSA-N -2 3 397.424 1.260 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c1-c1nnn[n-]1 ZINC000826303905 607538257 /nfs/dbraw/zinc/53/82/57/607538257.db2.gz LTELPPDDQOBLNH-UHFFFAOYSA-N -2 3 387.347 1.735 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c1-c1nn[n-]n1 ZINC000826303905 607538259 /nfs/dbraw/zinc/53/82/59/607538259.db2.gz LTELPPDDQOBLNH-UHFFFAOYSA-N -2 3 387.347 1.735 20 0 GDADHL Cc1c(C(=O)[N-]c2nnc(C(F)F)s2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740042422 602114005 /nfs/dbraw/zinc/11/40/05/602114005.db2.gz RRAGGWQRQYRFBB-UHFFFAOYSA-N -2 3 387.372 1.943 20 0 GDADHL CCCN(CC(=O)[O-])C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000758293141 602125280 /nfs/dbraw/zinc/12/52/80/602125280.db2.gz FLJLWYLETMZSIC-JTQLQIEISA-N -2 3 377.850 1.115 20 0 GDADHL NC(=O)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000833080181 602163133 /nfs/dbraw/zinc/16/31/33/602163133.db2.gz MTBZHYUHTSZLOQ-RNFRBKRXSA-N -2 3 395.231 1.063 20 0 GDADHL COC(=O)c1sc(S(=O)(=O)[N-]c2c[nH]c(=O)cc2C)c(C(=O)[O-])c1C ZINC000831480143 602304824 /nfs/dbraw/zinc/30/48/24/602304824.db2.gz XRXNZFBDAAMYOZ-UHFFFAOYSA-N -2 3 386.407 1.751 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1OCCc2ccccc21 ZINC000826449991 607560179 /nfs/dbraw/zinc/56/01/79/607560179.db2.gz RXJLUIYMRUIZSY-MRXNPFEDSA-N -2 3 399.432 1.127 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1OCCc2ccccc21 ZINC000826449991 607560181 /nfs/dbraw/zinc/56/01/81/607560181.db2.gz RXJLUIYMRUIZSY-MRXNPFEDSA-N -2 3 399.432 1.127 20 0 GDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCCNC(=O)[O-])ccc1F ZINC000738704158 602346031 /nfs/dbraw/zinc/34/60/31/602346031.db2.gz LEQXLZFCPWNMJP-UHFFFAOYSA-N -2 3 375.422 1.290 20 0 GDADHL O=C([O-])N1CC[C@@H](CCNC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000740498390 602718638 /nfs/dbraw/zinc/71/86/38/602718638.db2.gz AZWSUWKMKQZFKP-CQSZACIVSA-N -2 3 390.440 1.250 20 0 GDADHL O=C(CSCc1cscn1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826420467 607617594 /nfs/dbraw/zinc/61/75/94/607617594.db2.gz OFCQVWFOSGNULE-UHFFFAOYSA-N -2 3 396.479 1.062 20 0 GDADHL O=C(CSCc1cscn1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826420467 607617596 /nfs/dbraw/zinc/61/75/96/607617596.db2.gz OFCQVWFOSGNULE-UHFFFAOYSA-N -2 3 396.479 1.062 20 0 GDADHL O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488924 607627256 /nfs/dbraw/zinc/62/72/56/607627256.db2.gz CNKPGAZQXVVGLM-ZDUSSCGKSA-N -2 3 387.412 1.364 20 0 GDADHL CN(C(=O)[O-])[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000827871829 603518870 /nfs/dbraw/zinc/51/88/70/603518870.db2.gz SYOJAZARXIYGMN-LBPRGKRZSA-N -2 3 385.417 1.091 20 0 GDADHL O=C([O-])NC[C@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1 ZINC000832413573 603929784 /nfs/dbraw/zinc/92/97/84/603929784.db2.gz BQCLEBXVFIQWNV-LBPRGKRZSA-N -2 3 376.390 1.599 20 0 GDADHL COCCOC(=O)c1sc2[n-]c(CN3CCC[C@@H]3C(=O)[O-])nc(=O)c2c1C ZINC000831757463 604754996 /nfs/dbraw/zinc/75/49/96/604754996.db2.gz QKTVCNPQJBXZPA-SNVBAGLBSA-N -2 3 395.437 1.145 20 0 GDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(CO)CC2)c(F)cc1Br ZINC000833780626 605042819 /nfs/dbraw/zinc/04/28/19/605042819.db2.gz YOICRKCMXORSLL-UHFFFAOYSA-N -2 3 382.207 1.337 20 0 GDADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCc1cccc(NC(=O)[O-])c1 ZINC000830914775 605540338 /nfs/dbraw/zinc/54/03/38/605540338.db2.gz WXCONYBRHURZMC-UHFFFAOYSA-N -2 3 383.382 1.403 20 0 GDADHL O=C([O-])N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000834029891 605609770 /nfs/dbraw/zinc/60/97/70/605609770.db2.gz QFKJSCYOVQCARL-HIFRSBDPSA-N -2 3 375.425 1.503 20 0 GDADHL CC(=Cc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819764476 606176494 /nfs/dbraw/zinc/17/64/94/606176494.db2.gz HOEQEBTZGZWGDH-KHPPLWFESA-N -2 3 387.396 1.914 20 0 GDADHL CC(=Cc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819764476 606176495 /nfs/dbraw/zinc/17/64/95/606176495.db2.gz HOEQEBTZGZWGDH-KHPPLWFESA-N -2 3 387.396 1.914 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cncc(Br)c1 ZINC000823583291 606181413 /nfs/dbraw/zinc/18/14/13/606181413.db2.gz LJLUCPUOHUXHLW-UHFFFAOYSA-N -2 3 382.203 1.220 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cncc(Br)c1 ZINC000823583291 606181414 /nfs/dbraw/zinc/18/14/14/606181414.db2.gz LJLUCPUOHUXHLW-UHFFFAOYSA-N -2 3 382.203 1.220 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1C ZINC000821669451 606211901 /nfs/dbraw/zinc/21/19/01/606211901.db2.gz MKZDPVSWVHEPKQ-UHFFFAOYSA-N -2 3 389.393 1.468 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000819866413 606394328 /nfs/dbraw/zinc/39/43/28/606394328.db2.gz MMAZRBCBEOAHLX-ZETCQYMHSA-N -2 3 389.359 1.737 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000819866413 606394329 /nfs/dbraw/zinc/39/43/29/606394329.db2.gz MMAZRBCBEOAHLX-ZETCQYMHSA-N -2 3 389.359 1.737 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(F)cc1F ZINC000822175831 606395506 /nfs/dbraw/zinc/39/55/06/606395506.db2.gz ASAJAXFBMKVFLK-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(F)cc1F ZINC000822175831 606395507 /nfs/dbraw/zinc/39/55/07/606395507.db2.gz ASAJAXFBMKVFLK-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)c(F)cc1F ZINC000822211486 606654548 /nfs/dbraw/zinc/65/45/48/606654548.db2.gz ATOLYRWAVIECPC-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)c(F)cc1F ZINC000822211486 606654549 /nfs/dbraw/zinc/65/45/49/606654549.db2.gz ATOLYRWAVIECPC-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL CCn1nc(C)c(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c1C ZINC000821568155 606751166 /nfs/dbraw/zinc/75/11/66/606751166.db2.gz JODBRHWPUTXEPN-UHFFFAOYSA-N -2 3 390.473 1.567 20 0 GDADHL COCCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000821685548 606758980 /nfs/dbraw/zinc/75/89/80/606758980.db2.gz HVOODMJJHMVJGO-UHFFFAOYSA-N -2 3 393.469 1.410 20 0 GDADHL COCCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000821685548 606758982 /nfs/dbraw/zinc/75/89/82/606758982.db2.gz HVOODMJJHMVJGO-UHFFFAOYSA-N -2 3 393.469 1.410 20 0 GDADHL COCCC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCC1 ZINC000821686018 606761805 /nfs/dbraw/zinc/76/18/05/606761805.db2.gz YFKQLGXXCMLKII-UHFFFAOYSA-N -2 3 379.442 1.187 20 0 GDADHL COCCC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCC1 ZINC000821686018 606761807 /nfs/dbraw/zinc/76/18/07/606761807.db2.gz YFKQLGXXCMLKII-UHFFFAOYSA-N -2 3 379.442 1.187 20 0 GDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1C(=O)[O-] ZINC000822259175 606765236 /nfs/dbraw/zinc/76/52/36/606765236.db2.gz OPDVWEKNPDGGJE-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(Cl)c1 ZINC000823285237 606839826 /nfs/dbraw/zinc/83/98/26/606839826.db2.gz ONJSKRFWTVFDSD-UHFFFAOYSA-N -2 3 381.776 1.778 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(Cl)c1 ZINC000823285237 606839828 /nfs/dbraw/zinc/83/98/28/606839828.db2.gz ONJSKRFWTVFDSD-UHFFFAOYSA-N -2 3 381.776 1.778 20 0 GDADHL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821667048 606866287 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Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737384694 598415467 /nfs/dbraw/zinc/41/54/67/598415467.db2.gz MWLFPCZJWJJEEW-UHFFFAOYSA-N -2 3 378.801 1.342 20 0 GDADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737384694 598415468 /nfs/dbraw/zinc/41/54/68/598415468.db2.gz MWLFPCZJWJJEEW-UHFFFAOYSA-N -2 3 378.801 1.342 20 0 GDADHL CCOc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000736635556 598456776 /nfs/dbraw/zinc/45/67/76/598456776.db2.gz XPVDTGCGTQUNHI-UHFFFAOYSA-N -2 3 393.381 1.446 20 0 GDADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000736635556 598456777 /nfs/dbraw/zinc/45/67/77/598456777.db2.gz XPVDTGCGTQUNHI-UHFFFAOYSA-N -2 3 393.381 1.446 20 0 GDADHL COc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737072568 598485507 /nfs/dbraw/zinc/48/55/07/598485507.db2.gz MTBKZEVOBQWXEV-NSHDSACASA-N -2 3 387.421 1.484 20 0 GDADHL COc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737072568 598485509 /nfs/dbraw/zinc/48/55/09/598485509.db2.gz MTBKZEVOBQWXEV-NSHDSACASA-N -2 3 387.421 1.484 20 0 GDADHL COc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737073805 598485586 /nfs/dbraw/zinc/48/55/86/598485586.db2.gz TWVPTYRCOVIABQ-NSHDSACASA-N -2 3 387.421 1.484 20 0 GDADHL COc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737073805 598485587 /nfs/dbraw/zinc/48/55/87/598485587.db2.gz TWVPTYRCOVIABQ-NSHDSACASA-N -2 3 387.421 1.484 20 0 GDADHL CC(=O)Nc1ccc(S([O-])=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735488993 598490497 /nfs/dbraw/zinc/49/04/97/598490497.db2.gz RRLMGTULWLARLR-NDEPHWFRSA-N -2 3 398.448 1.249 20 0 GDADHL Cc1nc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2OC(F)F)cn1C ZINC000737482240 598548734 /nfs/dbraw/zinc/54/87/34/598548734.db2.gz FZQMZEDAVCGFPY-UHFFFAOYSA-N -2 3 385.356 1.311 20 0 GDADHL Cc1nc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)cn1C ZINC000737482240 598548736 /nfs/dbraw/zinc/54/87/36/598548736.db2.gz FZQMZEDAVCGFPY-UHFFFAOYSA-N -2 3 385.356 1.311 20 0 GDADHL Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737321643 598565466 /nfs/dbraw/zinc/56/54/66/598565466.db2.gz HMPBDDPNLJJJNI-UHFFFAOYSA-N -2 3 385.449 1.672 20 0 GDADHL Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737321643 598565467 /nfs/dbraw/zinc/56/54/67/598565467.db2.gz HMPBDDPNLJJJNI-UHFFFAOYSA-N -2 3 385.449 1.672 20 0 GDADHL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737109178 598593281 /nfs/dbraw/zinc/59/32/81/598593281.db2.gz FRMQQWKQYFLNQH-UHFFFAOYSA-N -2 3 379.373 1.824 20 0 GDADHL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737109178 598593282 /nfs/dbraw/zinc/59/32/82/598593282.db2.gz FRMQQWKQYFLNQH-UHFFFAOYSA-N -2 3 379.373 1.824 20 0 GDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736899204 598709423 /nfs/dbraw/zinc/70/94/23/598709423.db2.gz UOPFMLVKPVNKKY-GFCCVEGCSA-N -2 3 379.423 1.121 20 0 GDADHL O=C(COc1ccccc1-c1nnn[n-]1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000737928761 598778198 /nfs/dbraw/zinc/77/81/98/598778198.db2.gz CUCUNMQBPWVUIM-UHFFFAOYSA-N -2 3 379.336 1.228 20 0 GDADHL O=C(COc1ccccc1-c1nn[n-]n1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000737928761 598778200 /nfs/dbraw/zinc/77/82/00/598778200.db2.gz CUCUNMQBPWVUIM-UHFFFAOYSA-N -2 3 379.336 1.228 20 0 GDADHL O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000737894812 598778214 /nfs/dbraw/zinc/77/82/14/598778214.db2.gz KTAUCFWURPFQCH-UHFFFAOYSA-N -2 3 378.352 1.261 20 0 GDADHL CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736351448 598785094 /nfs/dbraw/zinc/78/50/94/598785094.db2.gz GIPARFPAHRMZND-CQSZACIVSA-N -2 3 385.449 1.941 20 0 GDADHL CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736351448 598785096 /nfs/dbraw/zinc/78/50/96/598785096.db2.gz GIPARFPAHRMZND-CQSZACIVSA-N -2 3 385.449 1.941 20 0 GDADHL CC(C)c1ccc(-n2cc([O-])c(C(=O)n3ncc(-c4nnn[n-]4)c3N)n2)cc1 ZINC000820187594 599318731 /nfs/dbraw/zinc/31/87/31/599318731.db2.gz ISHCWANCZIPIBO-UHFFFAOYSA-N -2 3 379.384 1.349 20 0 GDADHL CC(C)c1ccc(-n2cc([O-])c(C(=O)n3ncc(-c4nn[n-]n4)c3N)n2)cc1 ZINC000820187594 599318734 /nfs/dbraw/zinc/31/87/34/599318734.db2.gz ISHCWANCZIPIBO-UHFFFAOYSA-N -2 3 379.384 1.349 20 0 GDADHL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822225060 607378101 /nfs/dbraw/zinc/37/81/01/607378101.db2.gz MMSGTMZJWUIKSV-UHFFFAOYSA-N -2 3 396.436 1.865 20 0 GDADHL CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(O)c1 ZINC000736602531 599455249 /nfs/dbraw/zinc/45/52/49/599455249.db2.gz NGIZFYJLILPFON-UHFFFAOYSA-N -2 3 389.393 1.550 20 0 GDADHL CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(O)c1 ZINC000736602531 599455251 /nfs/dbraw/zinc/45/52/51/599455251.db2.gz NGIZFYJLILPFON-UHFFFAOYSA-N -2 3 389.393 1.550 20 0 GDADHL O=C(CCC(F)(F)F)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822950630 599623279 /nfs/dbraw/zinc/62/32/79/599623279.db2.gz VQTITZWVGYFNBG-UHFFFAOYSA-N -2 3 383.739 1.668 20 0 GDADHL O=C(CCC(F)(F)F)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822950630 599623280 /nfs/dbraw/zinc/62/32/80/599623280.db2.gz VQTITZWVGYFNBG-UHFFFAOYSA-N -2 3 383.739 1.668 20 0 GDADHL Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000822176590 599700194 /nfs/dbraw/zinc/70/01/94/599700194.db2.gz LYKWQABPGVNWSY-UHFFFAOYSA-N -3 3 382.315 1.316 20 0 GDADHL COc1ccc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(OC)c1OC ZINC000563074784 599777602 /nfs/dbraw/zinc/77/76/02/599777602.db2.gz CUVRXMNGKBOFLH-UHFFFAOYSA-N -2 3 385.394 1.525 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC000737577975 599813235 /nfs/dbraw/zinc/81/32/35/599813235.db2.gz LUADVWTYMIOEOX-KRWDZBQOSA-N -2 3 393.417 1.733 20 0 GDADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000737572961 600147632 /nfs/dbraw/zinc/14/76/32/600147632.db2.gz HTRBRQOEJGWSSN-QRGHLMKCSA-N -2 3 392.227 1.356 20 0 GDADHL CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC000675944673 600195864 /nfs/dbraw/zinc/19/58/64/600195864.db2.gz FBDWTAPMUHARHZ-UHFFFAOYSA-N -2 3 375.453 1.334 20 0 GDADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c(F)cc1F ZINC000740088134 600211402 /nfs/dbraw/zinc/21/14/02/600211402.db2.gz RIIVYQKAQHIWEK-UHFFFAOYSA-N -2 3 382.344 1.750 20 0 GDADHL O=C([O-])c1cccc(CS(=O)(=O)[N-]Cc2nc(Cc3ccccc3)no2)c1 ZINC000740224895 600228134 /nfs/dbraw/zinc/22/81/34/600228134.db2.gz FJCOHJPEFPUPMM-UHFFFAOYSA-N -2 3 387.417 1.978 20 0 GDADHL CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)cc2C1=O ZINC000484528870 600234904 /nfs/dbraw/zinc/23/49/04/600234904.db2.gz CUJDYIWRAJXNPE-UHFFFAOYSA-N -2 3 378.337 1.551 20 0 GDADHL Cc1ccc(C(=O)NCCC(=O)Nc2nnc(CCCC(=O)[O-])s2)c([O-])c1 ZINC000738514873 600602408 /nfs/dbraw/zinc/60/24/08/600602408.db2.gz KRPUVHBLBCUZQJ-UHFFFAOYSA-N -2 3 392.437 1.718 20 0 GDADHL CN(C)C(=O)COc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000481982488 600627073 /nfs/dbraw/zinc/62/70/73/600627073.db2.gz GYCQGUZSCQUSRD-UHFFFAOYSA-N -2 3 392.433 1.582 20 0 GDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C(N)=O ZINC000736389703 600634847 /nfs/dbraw/zinc/63/48/47/600634847.db2.gz LFJZFDJKXFOUDZ-SNVBAGLBSA-N -2 3 397.222 1.075 20 0 GDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1nc(-c2ccncc2)no1 ZINC000826717531 600733923 /nfs/dbraw/zinc/73/39/23/600733923.db2.gz SCUORBMXSJPAMF-CYBMUJFWSA-N -2 3 391.409 1.834 20 0 GDADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)c1 ZINC000740074604 600891574 /nfs/dbraw/zinc/89/15/74/600891574.db2.gz AAHLNTDSUYPBQQ-UHFFFAOYSA-N -2 3 397.775 1.954 20 0 GDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2cn3ccccc3n2)c1F ZINC000833293723 600992515 /nfs/dbraw/zinc/99/25/15/600992515.db2.gz GMLXOVQNCXHAFK-UHFFFAOYSA-N -2 3 381.360 1.832 20 0 GDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccnc(-n3cccn3)c2)c1F ZINC000833294450 600993736 /nfs/dbraw/zinc/99/37/36/600993736.db2.gz SYGHTQDNYVWRQC-UHFFFAOYSA-N -2 3 394.359 1.722 20 0 GDADHL Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000484559192 601047941 /nfs/dbraw/zinc/04/79/41/601047941.db2.gz WZTDFKVNVJVULR-UHFFFAOYSA-N -2 3 377.357 1.515 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(OC)cc2)oc1C ZINC000614312826 601215100 /nfs/dbraw/zinc/21/51/00/601215100.db2.gz BAWDLKNTHJLJNP-AWEZNQCLSA-N -2 3 397.405 1.878 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccc(C)cc2)oc1C ZINC000831343716 601220747 /nfs/dbraw/zinc/22/07/47/601220747.db2.gz UGEDRLXTGNGDTP-AWEZNQCLSA-N -2 3 381.406 1.830 20 0 GDADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)CNC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC000833027527 601220813 /nfs/dbraw/zinc/22/08/13/601220813.db2.gz GQRVJUPGIWYJEU-UHFFFAOYSA-N -2 3 376.431 1.868 20 0 GDADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C(=O)[O-] ZINC000833028735 601221145 /nfs/dbraw/zinc/22/11/45/601221145.db2.gz PPQXEYDVOPVKOV-VIFPVBQESA-N -2 3 378.406 1.845 20 0 GDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC(=O)NCc2ccccc2)c1F ZINC000327674785 601230232 /nfs/dbraw/zinc/23/02/32/601230232.db2.gz 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3 399.432 1.484 20 0 GDADHL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736731225 598414985 /nfs/dbraw/zinc/41/49/85/598414985.db2.gz LTXGHXXOPNQRLY-UHFFFAOYSA-N -2 3 395.832 1.164 20 0 GDADHL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736731225 598414986 /nfs/dbraw/zinc/41/49/86/598414986.db2.gz LTXGHXXOPNQRLY-UHFFFAOYSA-N -2 3 395.832 1.164 20 0 GDADHL O=C(Cc1cccs1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737975436 598417209 /nfs/dbraw/zinc/41/72/09/598417209.db2.gz OJTDTWYIFXRWGF-UHFFFAOYSA-N -2 3 383.842 1.629 20 0 GDADHL O=C(Cc1cccs1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737975436 598417211 /nfs/dbraw/zinc/41/72/11/598417211.db2.gz OJTDTWYIFXRWGF-UHFFFAOYSA-N -2 3 383.842 1.629 20 0 GDADHL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737341907 598431412 /nfs/dbraw/zinc/43/14/12/598431412.db2.gz BBIPCMJRDSDFLD-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737341907 598431414 /nfs/dbraw/zinc/43/14/14/598431414.db2.gz BBIPCMJRDSDFLD-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL O=S(=O)([N-]c1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1)c1cn[nH]c1 ZINC000738342140 598548988 /nfs/dbraw/zinc/54/89/88/598548988.db2.gz MHQJWKWKPFZJGD-UHFFFAOYSA-N -2 3 397.420 1.970 20 0 GDADHL O=S(=O)([N-]c1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1)c1cn[nH]c1 ZINC000738342140 598548990 /nfs/dbraw/zinc/54/89/90/598548990.db2.gz MHQJWKWKPFZJGD-UHFFFAOYSA-N -2 3 397.420 1.970 20 0 GDADHL O=C(Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1cc(=O)[nH][n-]1 ZINC000738301992 598625043 /nfs/dbraw/zinc/62/50/43/598625043.db2.gz RZQHMKOEXVTIGQ-UHFFFAOYSA-N -2 3 377.364 1.260 20 0 GDADHL O=C(Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1)c1cc(=O)[nH][n-]1 ZINC000738301992 598625045 /nfs/dbraw/zinc/62/50/45/598625045.db2.gz RZQHMKOEXVTIGQ-UHFFFAOYSA-N -2 3 377.364 1.260 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736899205 598709495 /nfs/dbraw/zinc/70/94/95/598709495.db2.gz UOPFMLVKPVNKKY-LBPRGKRZSA-N -2 3 379.423 1.121 20 0 GDADHL C[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736057692 598750351 /nfs/dbraw/zinc/75/03/51/598750351.db2.gz JHIKWFKJFUZBFJ-CYBMUJFWSA-N -2 3 385.449 1.692 20 0 GDADHL C[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736057692 598750352 /nfs/dbraw/zinc/75/03/52/598750352.db2.gz JHIKWFKJFUZBFJ-CYBMUJFWSA-N -2 3 385.449 1.692 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ncoc1-c1ccccc1 ZINC000738138643 598751536 /nfs/dbraw/zinc/75/15/36/598751536.db2.gz HHLNEXSZTZPKNQ-UHFFFAOYSA-N -2 3 396.388 1.640 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ncoc1-c1ccccc1 ZINC000738138643 598751537 /nfs/dbraw/zinc/75/15/37/598751537.db2.gz HHLNEXSZTZPKNQ-UHFFFAOYSA-N -2 3 396.388 1.640 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)F)c1 ZINC000738138593 598799970 /nfs/dbraw/zinc/79/99/70/598799970.db2.gz GKUKNTNCHYZFGJ-UHFFFAOYSA-N -2 3 379.348 1.923 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)F)c1 ZINC000738138593 598799971 /nfs/dbraw/zinc/79/99/71/598799971.db2.gz GKUKNTNCHYZFGJ-UHFFFAOYSA-N -2 3 379.348 1.923 20 0 GDADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000821772790 599305841 /nfs/dbraw/zinc/30/58/41/599305841.db2.gz PVECSJIXHROBEI-UHFFFAOYSA-N -3 3 389.393 1.683 20 0 GDADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000821772790 599305843 /nfs/dbraw/zinc/30/58/43/599305843.db2.gz PVECSJIXHROBEI-UHFFFAOYSA-N -3 3 389.393 1.683 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c(C(N)=O)cc1F ZINC000737279985 599471732 /nfs/dbraw/zinc/47/17/32/599471732.db2.gz IDXNGHSKVCYTHN-UHFFFAOYSA-N -2 3 390.400 1.522 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c(C(N)=O)cc1F ZINC000737279985 599471734 /nfs/dbraw/zinc/47/17/34/599471734.db2.gz IDXNGHSKVCYTHN-UHFFFAOYSA-N -2 3 390.400 1.522 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cc2occc2s1 ZINC000738140490 599517903 /nfs/dbraw/zinc/51/79/03/599517903.db2.gz VXDOBNHNIABZES-UHFFFAOYSA-N -2 3 389.418 1.934 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cc2occc2s1 ZINC000738140490 599517905 /nfs/dbraw/zinc/51/79/05/599517905.db2.gz VXDOBNHNIABZES-UHFFFAOYSA-N -2 3 389.418 1.934 20 0 GDADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738214350 599561448 /nfs/dbraw/zinc/56/14/48/599561448.db2.gz LMOPMNAJQQPURD-UHFFFAOYSA-N -3 3 380.773 1.414 20 0 GDADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738214350 599561451 /nfs/dbraw/zinc/56/14/51/599561451.db2.gz LMOPMNAJQQPURD-UHFFFAOYSA-N -3 3 380.773 1.414 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(O)c1 ZINC000823391657 599695586 /nfs/dbraw/zinc/69/55/86/599695586.db2.gz AZSZYJOALFBPIF-UHFFFAOYSA-N -3 3 395.784 1.725 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(O)c1 ZINC000823391657 599695587 /nfs/dbraw/zinc/69/55/87/599695587.db2.gz AZSZYJOALFBPIF-UHFFFAOYSA-N -3 3 395.784 1.725 20 0 GDADHL Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1F ZINC000739057082 599767840 /nfs/dbraw/zinc/76/78/40/599767840.db2.gz XHDDAHZONFNMPY-AWEZNQCLSA-N -2 3 379.369 1.918 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)Nc2cccc3cccnc32)o1 ZINC000739307793 599777147 /nfs/dbraw/zinc/77/71/47/599777147.db2.gz CCPRDZWVFMWTGI-UHFFFAOYSA-N -2 3 375.362 1.443 20 0 GDADHL C[C@H](CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000655561420 599780923 /nfs/dbraw/zinc/78/09/23/599780923.db2.gz KYUBOUMFTMSRLG-MRVPVSSYSA-N -2 3 383.253 1.499 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(OC)cc2)s1 ZINC000737699951 599798305 /nfs/dbraw/zinc/79/83/05/599798305.db2.gz IBVKIJGGVXUJAY-ZDUSSCGKSA-N -2 3 385.419 1.648 20 0 GDADHL C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000736821027 599809627 /nfs/dbraw/zinc/80/96/27/599809627.db2.gz ADAHKHYIPOCPEO-GFCCVEGCSA-N -2 3 393.399 1.619 20 0 GDADHL COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000737605035 599853503 /nfs/dbraw/zinc/85/35/03/599853503.db2.gz MWFQFTZWHHKYIQ-UHFFFAOYSA-N -2 3 379.390 1.997 20 0 GDADHL C[C@H](CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1)C(=O)[O-] ZINC000736562550 599930062 /nfs/dbraw/zinc/93/00/62/599930062.db2.gz POOKJWUSZNGVJM-MRVPVSSYSA-N -2 3 380.875 1.392 20 0 GDADHL Cc1cc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)ccc1C(=O)[O-] ZINC000535589102 599950690 /nfs/dbraw/zinc/95/06/90/599950690.db2.gz APURROOSHRDONF-UHFFFAOYSA-N -2 3 382.170 1.357 20 0 GDADHL O=C([O-])CN(CCN1CCOCC1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000739792654 600146888 /nfs/dbraw/zinc/14/68/88/600146888.db2.gz XPPDZPBCVFMKEI-UHFFFAOYSA-N -2 3 386.408 1.300 20 0 GDADHL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000820187542 607441043 /nfs/dbraw/zinc/44/10/43/607441043.db2.gz GPSFZCWXXPYYMY-UHFFFAOYSA-N -2 3 386.437 1.645 20 0 GDADHL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000820187542 607441045 /nfs/dbraw/zinc/44/10/45/607441045.db2.gz GPSFZCWXXPYYMY-UHFFFAOYSA-N -2 3 386.437 1.645 20 0 GDADHL COc1ccc(CC(=O)[N-]OCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1OC ZINC000737983656 600499394 /nfs/dbraw/zinc/49/93/94/600499394.db2.gz DREKXXXDXNKXES-UHFFFAOYSA-N -2 3 390.392 1.820 20 0 GDADHL COC(=O)[C@H](CC(=O)[O-])NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000737568602 600536582 /nfs/dbraw/zinc/53/65/82/600536582.db2.gz VZTWKGIVGXVNJZ-NSHDSACASA-N -2 3 397.181 1.037 20 0 GDADHL COC(=O)C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000737589313 600536626 /nfs/dbraw/zinc/53/66/26/600536626.db2.gz CNHZDNUJCBCLEF-LLVKDONJSA-N -2 3 397.181 1.037 20 0 GDADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1 ZINC000739886349 600626430 /nfs/dbraw/zinc/62/64/30/600626430.db2.gz BZSRTFYDMYGRBV-UHFFFAOYSA-N -2 3 376.434 1.951 20 0 GDADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(OCc2ccccc2)cc1 ZINC000826492509 607461066 /nfs/dbraw/zinc/46/10/66/607461066.db2.gz ONNNENZFEPGCPV-UHFFFAOYSA-N -2 3 397.420 1.970 20 0 GDADHL Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000832914183 601007943 /nfs/dbraw/zinc/00/79/43/601007943.db2.gz AHEAKXGGLQFFTF-UHFFFAOYSA-N -2 3 397.431 1.795 20 0 GDADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000738636466 601049645 /nfs/dbraw/zinc/04/96/45/601049645.db2.gz NGWCNMJGPPDAHX-UHFFFAOYSA-N -3 3 390.464 1.927 20 0 GDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1C(=O)[O-] ZINC000833028861 601223721 /nfs/dbraw/zinc/22/37/21/601223721.db2.gz RAWJNYHGMHAJRQ-IINYFYTJSA-N -2 3 378.406 1.759 20 0 GDADHL Cc1oc(S(=O)(=O)[N-][C@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1C(=O)[O-] ZINC000833028860 601223821 /nfs/dbraw/zinc/22/38/21/601223821.db2.gz RAWJNYHGMHAJRQ-HZMBPMFUSA-N -2 3 378.406 1.759 20 0 GDADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(Br)cn2)CCOCC1 ZINC000833206681 601270767 /nfs/dbraw/zinc/27/07/67/601270767.db2.gz YERRLFRECLPHAS-UHFFFAOYSA-N -2 3 379.232 1.146 20 0 GDADHL COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)CC2(CC(=O)[O-])CC2)n1 ZINC000832583780 601519273 /nfs/dbraw/zinc/51/92/73/601519273.db2.gz ZZQURJHMQYBKEC-NSHDSACASA-N -2 3 395.437 1.981 20 0 GDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCCCC2)s1 ZINC000831331244 601597322 /nfs/dbraw/zinc/59/73/22/601597322.db2.gz DWCVXVKYQJNJCW-GFCCVEGCSA-N -2 3 391.467 1.855 20 0 GDADHL CC(C)(CNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)C(=O)[O-] ZINC000767187514 601709804 /nfs/dbraw/zinc/70/98/04/601709804.db2.gz HIVIQVBIYXYNLT-UHFFFAOYSA-N -2 3 376.381 1.246 20 0 GDADHL C[C@H]1CN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C[C@H]1C(=O)[O-] ZINC000828388163 601759394 /nfs/dbraw/zinc/75/93/94/601759394.db2.gz WPMLTHHIIBYCHA-WCBMZHEXSA-N -2 3 388.392 1.198 20 0 GDADHL CCN1CCN(c2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc2)CC1 ZINC000829780810 601768136 /nfs/dbraw/zinc/76/81/36/601768136.db2.gz LJRLAXFSLVLMSM-UHFFFAOYSA-N -2 3 396.494 1.784 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)CCc3ccccc3)C2)o1 ZINC000833325455 601809609 /nfs/dbraw/zinc/80/96/09/601809609.db2.gz YZLZVVZJHINGBP-CQSZACIVSA-N -2 3 392.433 1.490 20 0 GDADHL CCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000825476377 607532975 /nfs/dbraw/zinc/53/29/75/607532975.db2.gz IBENEGFNHSFJAG-UHFFFAOYSA-N -2 3 386.437 1.726 20 0 GDADHL CCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000825476377 607532976 /nfs/dbraw/zinc/53/29/76/607532976.db2.gz IBENEGFNHSFJAG-UHFFFAOYSA-N -2 3 386.437 1.726 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826304032 607536210 /nfs/dbraw/zinc/53/62/10/607536210.db2.gz SHLGQQIMOSASFJ-UHFFFAOYSA-N -2 3 387.347 1.735 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826304032 607536212 /nfs/dbraw/zinc/53/62/12/607536212.db2.gz SHLGQQIMOSASFJ-UHFFFAOYSA-N -2 3 387.347 1.735 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c(F)c1 ZINC000477406659 601984194 /nfs/dbraw/zinc/98/41/94/601984194.db2.gz PNZMBUCEYBAWKR-UHFFFAOYSA-N -2 3 385.394 1.655 20 0 GDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@H](C)NC(=O)[O-])cc1Cl ZINC000738560432 602548388 /nfs/dbraw/zinc/54/83/88/602548388.db2.gz RKLUQXICJNIWFK-ZETCQYMHSA-N -2 3 381.813 1.762 20 0 GDADHL CN(C(=O)[O-])C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000737928338 602548494 /nfs/dbraw/zinc/54/84/94/602548494.db2.gz MCCNNFXGKWFIQC-OAHLLOKOSA-N -2 3 375.425 1.598 20 0 GDADHL CC(C)C[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000824204907 603117165 /nfs/dbraw/zinc/11/71/65/603117165.db2.gz XDVPRXLQVCLGEJ-JTQLQIEISA-N -2 3 380.264 1.805 20 0 GDADHL O=C([O-])N[C@H]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000832326209 603467268 /nfs/dbraw/zinc/46/72/68/603467268.db2.gz PKKWKYNFEFTDEZ-GJZGRUSLSA-N -2 3 375.425 1.503 20 0 GDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000830697925 603521441 /nfs/dbraw/zinc/52/14/41/603521441.db2.gz HGSVZZWFNSFVQD-AWEZNQCLSA-N -2 3 385.424 1.284 20 0 GDADHL 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Cn1cc(C[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C(=O)[O-])cn1 ZINC000558642752 531574624 /nfs/dbraw/zinc/57/46/24/531574624.db2.gz GMWCOJYYCIVBFP-SECBINFHSA-N -2 3 397.400 1.722 20 0 GDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br)[C@@H]1CCOC1 ZINC000281093554 531577086 /nfs/dbraw/zinc/57/70/86/531577086.db2.gz VMYVNZOYOPPNPQ-JGVFFNPUSA-N -2 3 396.234 1.990 20 0 GDADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@]1(CC(=O)[O-])CC[C@H](C)C1 ZINC000558863146 531583972 /nfs/dbraw/zinc/58/39/72/531583972.db2.gz XZYCJAYOMMXYMQ-LKFCYVNXSA-N -2 3 376.456 1.489 20 0 GDADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(=O)[O-] ZINC000583631262 531587838 /nfs/dbraw/zinc/58/78/38/531587838.db2.gz OZWDAAIIKCJSST-JTQLQIEISA-N -2 3 378.834 1.192 20 0 GDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000614337412 531593619 /nfs/dbraw/zinc/59/36/19/531593619.db2.gz NHCILVLCGLTKSG-SNVBAGLBSA-N -2 3 392.361 1.312 20 0 GDADHL COC(=O)c1csc(S(=O)(=O)[N-]CCc2ccc(CC(=O)[O-])cc2)c1 ZINC000614346418 531594141 /nfs/dbraw/zinc/59/41/41/531594141.db2.gz WJAYHPZLACXLKD-UHFFFAOYSA-N -2 3 383.447 1.683 20 0 GDADHL O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000281862038 531670178 /nfs/dbraw/zinc/67/01/78/531670178.db2.gz MXQUPDOCRPDBLV-ZETCQYMHSA-N -2 3 392.149 1.192 20 0 GDADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F ZINC000589063169 531663888 /nfs/dbraw/zinc/66/38/88/531663888.db2.gz JTLAHXKYXUGJKV-ZETCQYMHSA-N -2 3 385.772 1.761 20 0 GDADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000297083634 531756403 /nfs/dbraw/zinc/75/64/03/531756403.db2.gz XSRNNACFCWFDIZ-NKWVEPMBSA-N -2 3 381.635 1.805 20 0 GDADHL CCS(=O)(=O)[N-]Cc1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC000621808188 531757378 /nfs/dbraw/zinc/75/73/78/531757378.db2.gz AMBNKKCDKSBMHM-UHFFFAOYSA-N -2 3 380.195 1.783 20 0 GDADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-] ZINC000592449020 531789490 /nfs/dbraw/zinc/78/94/90/531789490.db2.gz OTXUGQAYJXWIFS-SECBINFHSA-N -2 3 395.886 1.859 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC2(OC)CCC2)C(=O)[O-])s1 ZINC000593278921 531827464 /nfs/dbraw/zinc/82/74/64/531827464.db2.gz WUKAAWPVJAPMRJ-VIFPVBQESA-N -2 3 377.440 1.225 20 0 GDADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c(F)c1 ZINC000563687173 531861502 /nfs/dbraw/zinc/86/15/02/531861502.db2.gz IEUUXQJSHVFWGW-JTQLQIEISA-N -3 3 396.462 1.509 20 0 GDADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CC)C(=O)[O-])cc1 ZINC000270531294 531888661 /nfs/dbraw/zinc/88/86/61/531888661.db2.gz UXEJXHNLAVEWIT-CYBMUJFWSA-N -2 3 378.472 1.370 20 0 GDADHL CC(C)c1cc(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)on1 ZINC000676352651 531913508 /nfs/dbraw/zinc/91/35/08/531913508.db2.gz LWNAJRAFGNHQCH-UHFFFAOYSA-N -2 3 391.446 1.787 20 0 GDADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1 ZINC000368517423 531920038 /nfs/dbraw/zinc/92/00/38/531920038.db2.gz HYVBDFAFARZBGE-OAHLLOKOSA-N -2 3 385.419 1.210 20 0 GDADHL 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ZINC000274963819 532247403 /nfs/dbraw/zinc/24/74/03/532247403.db2.gz HYBNTKLFJPHQCB-JTQLQIEISA-N -2 3 394.243 1.558 20 0 GDADHL C[C@]1(C[C@@H]2CCCN2C(=O)c2ccc(Br)cc2[O-])NC(=O)[N-]C1=O ZINC000287936263 532252603 /nfs/dbraw/zinc/25/26/03/532252603.db2.gz RFVJSZWNSIUQSS-MGPLVRAMSA-N -2 3 396.241 1.748 20 0 GDADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCCC(=O)[O-])cc1 ZINC000274886407 532239504 /nfs/dbraw/zinc/23/95/04/532239504.db2.gz FAYZRVNGPBIIIV-UHFFFAOYSA-N -2 3 392.499 1.762 20 0 GDADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC000275036034 532256683 /nfs/dbraw/zinc/25/66/83/532256683.db2.gz QOJYESVGCAJAFG-BDAKNGLRSA-N -2 3 376.228 1.765 20 0 GDADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000275080203 532262275 /nfs/dbraw/zinc/26/22/75/532262275.db2.gz YMWWPJDOBMHAJC-LLVKDONJSA-N -2 3 382.207 1.689 20 0 GDADHL CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000275202073 532276392 /nfs/dbraw/zinc/27/63/92/532276392.db2.gz 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C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c(C)o1 ZINC000431776530 532273663 /nfs/dbraw/zinc/27/36/63/532273663.db2.gz QQMBTLUYRUKSEP-ZDUSSCGKSA-N -2 3 386.813 1.705 20 0 GDADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-] ZINC000386917362 532296342 /nfs/dbraw/zinc/29/63/42/532296342.db2.gz LPMSYUHHBXIOPQ-MRVPVSSYSA-N -3 3 396.215 1.054 20 0 GDADHL COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-] ZINC000275781885 532309841 /nfs/dbraw/zinc/30/98/41/532309841.db2.gz UUJIIIQOOGVRCF-ZDUSSCGKSA-N -2 3 396.259 1.209 20 0 GDADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1)C(=O)[O-] ZINC000276220565 532323472 /nfs/dbraw/zinc/32/34/72/532323472.db2.gz LVVOFGBJGKDVAK-CABZTGNLSA-N -2 3 378.472 1.424 20 0 GDADHL NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000436476485 450590513 /nfs/dbraw/zinc/59/05/13/450590513.db2.gz FWXHUYAHTGIRMB-UHFFFAOYSA-N -2 3 377.831 1.462 20 0 GDADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735489176 598840829 /nfs/dbraw/zinc/84/08/29/598840829.db2.gz UYNZZISJFOULCX-UHFFFAOYSA-N -2 3 376.373 1.765 20 0 GDADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735489176 598840830 /nfs/dbraw/zinc/84/08/30/598840830.db2.gz UYNZZISJFOULCX-UHFFFAOYSA-N -2 3 376.373 1.765 20 0 GDADHL NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737761471 598841838 /nfs/dbraw/zinc/84/18/38/598841838.db2.gz YAZHYMKMVGMUNP-UHFFFAOYSA-N -2 3 396.791 1.559 20 0 GDADHL NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737761471 598841841 /nfs/dbraw/zinc/84/18/41/598841841.db2.gz YAZHYMKMVGMUNP-UHFFFAOYSA-N -2 3 396.791 1.559 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2ncon2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738345400 598844246 /nfs/dbraw/zinc/84/42/46/598844246.db2.gz LPOUQXIPCOXEPK-UHFFFAOYSA-N -2 3 387.356 1.857 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2ncon2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738345400 598844248 /nfs/dbraw/zinc/84/42/48/598844248.db2.gz LPOUQXIPCOXEPK-UHFFFAOYSA-N -2 3 387.356 1.857 20 0 GDADHL O=S(=O)([N-]c1cnn(-c2ccccn2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738340544 598845915 /nfs/dbraw/zinc/84/59/15/598845915.db2.gz YDRDIFPLUSTXND-UHFFFAOYSA-N -2 3 386.372 1.387 20 0 GDADHL O=S(=O)([N-]c1cnn(-c2ccccn2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738340544 598845917 /nfs/dbraw/zinc/84/59/17/598845917.db2.gz YDRDIFPLUSTXND-UHFFFAOYSA-N -2 3 386.372 1.387 20 0 GDADHL CS[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737169556 598909830 /nfs/dbraw/zinc/90/98/30/598909830.db2.gz ARSWJCSCXHRVAT-AWEZNQCLSA-N -2 3 389.462 1.776 20 0 GDADHL CS[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737169556 598909831 /nfs/dbraw/zinc/90/98/31/598909831.db2.gz ARSWJCSCXHRVAT-AWEZNQCLSA-N -2 3 389.462 1.776 20 0 GDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OC(F)F ZINC000737362492 598932469 /nfs/dbraw/zinc/93/24/69/598932469.db2.gz RAFWQKMXIVMJFS-UHFFFAOYSA-N -2 3 382.352 1.972 20 0 GDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OC(F)F ZINC000737362492 598932472 /nfs/dbraw/zinc/93/24/72/598932472.db2.gz RAFWQKMXIVMJFS-UHFFFAOYSA-N -2 3 382.352 1.972 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1F ZINC000737298414 598976456 /nfs/dbraw/zinc/97/64/56/598976456.db2.gz JWXGGAUCNXCOQD-CMDGGOBGSA-N -2 3 387.396 1.833 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1F ZINC000737298414 598976458 /nfs/dbraw/zinc/97/64/58/598976458.db2.gz JWXGGAUCNXCOQD-CMDGGOBGSA-N -2 3 387.396 1.833 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cccc2c1CCC2 ZINC000737297576 598974602 /nfs/dbraw/zinc/97/46/02/598974602.db2.gz CQBVCHSRANQKCC-UHFFFAOYSA-N -2 3 383.433 1.783 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cccc2c1CCC2 ZINC000737297576 598974604 /nfs/dbraw/zinc/97/46/04/598974604.db2.gz CQBVCHSRANQKCC-UHFFFAOYSA-N -2 3 383.433 1.783 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(F)c(C)c1 ZINC000737236351 598974889 /nfs/dbraw/zinc/97/48/89/598974889.db2.gz IZWYSXSRKFTMSX-UHFFFAOYSA-N -2 3 375.385 1.741 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(F)c(C)c1 ZINC000737236351 598974890 /nfs/dbraw/zinc/97/48/90/598974890.db2.gz IZWYSXSRKFTMSX-UHFFFAOYSA-N -2 3 375.385 1.741 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1csc(C2CC2)n1 ZINC000737299489 598974991 /nfs/dbraw/zinc/97/49/91/598974991.db2.gz QKUUGWIJQSVWHO-UHFFFAOYSA-N -2 3 390.450 1.628 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1csc(C2CC2)n1 ZINC000737299489 598974993 /nfs/dbraw/zinc/97/49/93/598974993.db2.gz QKUUGWIJQSVWHO-UHFFFAOYSA-N -2 3 390.450 1.628 20 0 GDADHL CC(=O)c1csc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735503565 599025169 /nfs/dbraw/zinc/02/51/69/599025169.db2.gz JMJYLVSKGABEHZ-UHFFFAOYSA-N -2 3 377.407 1.250 20 0 GDADHL CC(=O)c1csc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735503565 599025173 /nfs/dbraw/zinc/02/51/73/599025173.db2.gz JMJYLVSKGABEHZ-UHFFFAOYSA-N -2 3 377.407 1.250 20 0 GDADHL O=C1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)cc2N1 ZINC000738301780 599098864 /nfs/dbraw/zinc/09/88/64/599098864.db2.gz AKYGAOBAJBDFLD-UHFFFAOYSA-N -2 3 388.384 1.691 20 0 GDADHL O=C1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)cc2N1 ZINC000738301780 599098867 /nfs/dbraw/zinc/09/88/67/599098867.db2.gz AKYGAOBAJBDFLD-UHFFFAOYSA-N -2 3 388.384 1.691 20 0 GDADHL O=C(C[C@H]1OCCc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737820456 599150899 /nfs/dbraw/zinc/15/08/99/599150899.db2.gz ROWKIXHBLBRFNZ-MRXNPFEDSA-N -2 3 399.432 1.376 20 0 GDADHL O=C(C[C@H]1OCCc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737820456 599150902 /nfs/dbraw/zinc/15/09/02/599150902.db2.gz ROWKIXHBLBRFNZ-MRXNPFEDSA-N -2 3 399.432 1.376 20 0 GDADHL O=C(C[C@@H]1CCOc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737819100 599284062 /nfs/dbraw/zinc/28/40/62/599284062.db2.gz LXWRGPRYBJSRSD-LBPRGKRZSA-N -2 3 399.432 1.628 20 0 GDADHL O=C(C[C@@H]1CCOc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737819100 599284064 /nfs/dbraw/zinc/28/40/64/599284064.db2.gz LXWRGPRYBJSRSD-LBPRGKRZSA-N -2 3 399.432 1.628 20 0 GDADHL Cc1ccc2c(CC(=O)[N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000737371837 598307329 /nfs/dbraw/zinc/30/73/29/598307329.db2.gz NEGLZDWTEQUTJM-UHFFFAOYSA-N -2 3 396.432 1.704 20 0 GDADHL Cc1ccc2c(CC(=O)[N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000737371837 598307331 /nfs/dbraw/zinc/30/73/31/598307331.db2.gz NEGLZDWTEQUTJM-UHFFFAOYSA-N -2 3 396.432 1.704 20 0 GDADHL CC(C)c1nc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cs1 ZINC000735938812 598362778 /nfs/dbraw/zinc/36/27/78/598362778.db2.gz DFYIJOIFEPSLOL-UHFFFAOYSA-N -2 3 392.466 1.706 20 0 GDADHL CC(C)c1nc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cs1 ZINC000735938812 598362780 /nfs/dbraw/zinc/36/27/80/598362780.db2.gz DFYIJOIFEPSLOL-UHFFFAOYSA-N -2 3 392.466 1.706 20 0 GDADHL CCOc1ccc(S([O-])=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736651453 598492131 /nfs/dbraw/zinc/49/21/31/598492131.db2.gz NGPPHPWDKYALIV-HHHXNRCGSA-N -2 3 385.449 1.689 20 0 GDADHL Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000737220355 598548386 /nfs/dbraw/zinc/54/83/86/598548386.db2.gz VNRBIISDARDELF-UHFFFAOYSA-N -2 3 397.420 1.867 20 0 GDADHL Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737220355 598548388 /nfs/dbraw/zinc/54/83/88/598548388.db2.gz VNRBIISDARDELF-UHFFFAOYSA-N -2 3 397.420 1.867 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc(Br)cc1 ZINC000738345389 598638388 /nfs/dbraw/zinc/63/83/88/598638388.db2.gz LHFIWYXLMRLZJA-UHFFFAOYSA-N -2 3 381.215 1.825 20 0 GDADHL O=C([O-])c1ccc(F)c(NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000738213873 598663558 /nfs/dbraw/zinc/66/35/58/598663558.db2.gz JCPWTKUPUCWBSX-UHFFFAOYSA-N -2 3 381.320 1.644 20 0 GDADHL O=C([O-])c1ccc(F)c(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000738213873 598663560 /nfs/dbraw/zinc/66/35/60/598663560.db2.gz JCPWTKUPUCWBSX-UHFFFAOYSA-N -2 3 381.320 1.644 20 0 GDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737316120 598728056 /nfs/dbraw/zinc/72/80/56/598728056.db2.gz SOMCZWWLRFWVMW-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737316120 598728058 /nfs/dbraw/zinc/72/80/58/598728058.db2.gz SOMCZWWLRFWVMW-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL O=C(CC[C@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737822094 598734593 /nfs/dbraw/zinc/73/45/93/598734593.db2.gz BYCDJSQNGPBAAU-CQSZACIVSA-N -2 3 379.442 1.162 20 0 GDADHL O=C(CC[C@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737822094 598734594 /nfs/dbraw/zinc/73/45/94/598734594.db2.gz BYCDJSQNGPBAAU-CQSZACIVSA-N -2 3 379.442 1.162 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc21 ZINC000738139738 598799658 /nfs/dbraw/zinc/79/96/58/598799658.db2.gz OMDWOSWBDAEPGO-INIZCTEOSA-N -2 3 383.433 1.543 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc21 ZINC000738139738 598799659 /nfs/dbraw/zinc/79/96/59/598799659.db2.gz OMDWOSWBDAEPGO-INIZCTEOSA-N -2 3 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C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735551279 598564497 /nfs/dbraw/zinc/56/44/97/598564497.db2.gz QFZGIQXBKPYCKF-NSHDSACASA-N -2 3 389.412 1.756 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735551279 598564499 /nfs/dbraw/zinc/56/44/99/598564499.db2.gz QFZGIQXBKPYCKF-NSHDSACASA-N -2 3 389.412 1.756 20 0 GDADHL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736488618 598637026 /nfs/dbraw/zinc/63/70/26/598637026.db2.gz QFFSYJXRYRHPIP-UHFFFAOYSA-N -2 3 388.409 1.629 20 0 GDADHL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736488618 598637027 /nfs/dbraw/zinc/63/70/27/598637027.db2.gz QFFSYJXRYRHPIP-UHFFFAOYSA-N -2 3 388.409 1.629 20 0 GDADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000735734211 598801282 /nfs/dbraw/zinc/80/12/82/598801282.db2.gz DXSRLNLCOSLMBW-AWEZNQCLSA-N -2 3 395.485 1.762 20 0 GDADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)CC(C)(C)C ZINC000735734211 598801284 /nfs/dbraw/zinc/80/12/84/598801284.db2.gz DXSRLNLCOSLMBW-AWEZNQCLSA-N -2 3 395.485 1.762 20 0 GDADHL Cc1c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccn1 ZINC000370671702 599315393 /nfs/dbraw/zinc/31/53/93/599315393.db2.gz WQIQVJDRGPRFOF-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL O=C(COC(=O)c1c(F)cc([O-])cc1F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737904931 599369043 /nfs/dbraw/zinc/36/90/43/599369043.db2.gz UVWMNWYHFWMREX-UHFFFAOYSA-N -2 3 375.291 1.646 20 0 GDADHL O=C(COC(=O)c1c(F)cc([O-])cc1F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737904931 599369046 /nfs/dbraw/zinc/36/90/46/599369046.db2.gz UVWMNWYHFWMREX-UHFFFAOYSA-N -2 3 375.291 1.646 20 0 GDADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736200935 599516006 /nfs/dbraw/zinc/51/60/06/599516006.db2.gz FPEDIGQXSGSVSE-GFCCVEGCSA-N -2 3 387.421 1.453 20 0 GDADHL C[C@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000820691450 599619788 /nfs/dbraw/zinc/61/97/88/599619788.db2.gz XHQNMQPNICVJTI-SMDDNHRTSA-N 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Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000822203556 599624797 /nfs/dbraw/zinc/62/47/97/599624797.db2.gz ZPKWEKGDOSVNPG-UHFFFAOYSA-N -2 3 375.385 1.741 20 0 GDADHL Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000822203556 599624798 /nfs/dbraw/zinc/62/47/98/599624798.db2.gz ZPKWEKGDOSVNPG-UHFFFAOYSA-N -2 3 375.385 1.741 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(O)c1 ZINC000823387556 599695392 /nfs/dbraw/zinc/69/53/92/599695392.db2.gz OSQXUVUEYVSWMO-UHFFFAOYSA-N -3 3 395.784 1.725 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(O)c1 ZINC000823387556 599695393 /nfs/dbraw/zinc/69/53/93/599695393.db2.gz OSQXUVUEYVSWMO-UHFFFAOYSA-N -3 3 395.784 1.725 20 0 GDADHL NC(=O)c1ccn(-c2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc2)n1 ZINC000739184205 599747568 /nfs/dbraw/zinc/74/75/68/599747568.db2.gz OLYKFLSGZGXNBK-UHFFFAOYSA-N -2 3 386.389 1.470 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(CN3CCCC3=O)c2)o1 ZINC000740176629 599771461 /nfs/dbraw/zinc/77/14/61/599771461.db2.gz LKZPHAHOYVGNQM-UHFFFAOYSA-N -2 3 378.406 1.579 20 0 GDADHL O=C([O-])c1cc(-c2csc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)n2)c[nH]1 ZINC000739486743 599807642 /nfs/dbraw/zinc/80/76/42/599807642.db2.gz FUAKZIORGVHLJE-UHFFFAOYSA-N -2 3 382.357 1.972 20 0 GDADHL Cn1c(=O)oc2ccc([N-]S(=O)(=O)c3ccc(OCCC(=O)[O-])cc3)cc21 ZINC000739003423 599816271 /nfs/dbraw/zinc/81/62/71/599816271.db2.gz JISVHYFXNYVILL-UHFFFAOYSA-N -2 3 392.389 1.786 20 0 GDADHL Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826316603 607398417 /nfs/dbraw/zinc/39/84/17/607398417.db2.gz SNMNLXKOYQXNNI-OLZOCXBDSA-N -2 3 389.462 1.845 20 0 GDADHL Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826316603 607398419 /nfs/dbraw/zinc/39/84/19/607398419.db2.gz SNMNLXKOYQXNNI-OLZOCXBDSA-N -2 3 389.462 1.845 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000826249796 607399562 /nfs/dbraw/zinc/39/95/62/607399562.db2.gz 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O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000068216480 600253459 /nfs/dbraw/zinc/25/34/59/600253459.db2.gz YANQGCNRKFYGST-UHFFFAOYSA-N -2 3 386.385 1.410 20 0 GDADHL O=C([O-])CCc1nc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)no1 ZINC000739773606 600414410 /nfs/dbraw/zinc/41/44/10/600414410.db2.gz DAAALMFLDZIMSA-UHFFFAOYSA-N -2 3 383.430 1.302 20 0 GDADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000738975046 600441638 /nfs/dbraw/zinc/44/16/38/600441638.db2.gz KNYCBRMIJQGPRD-CQSZACIVSA-N -2 3 385.376 1.832 20 0 GDADHL COC(=O)c1sc2[n-]c(CS[C@@H](C)[C@H](C)O)nc(=O)c2c1CC(=O)[O-] ZINC000831480219 600843935 /nfs/dbraw/zinc/84/39/35/600843935.db2.gz ZOUVLMZWXDEAHL-BQBZGAKWSA-N -2 3 386.451 1.401 20 0 GDADHL COC(=O)c1sc2[n-]c(CS[C@H](C)CCO)nc(=O)c2c1CC(=O)[O-] ZINC000737723770 600935612 /nfs/dbraw/zinc/93/56/12/600935612.db2.gz NVGABIMXLNNPPF-SSDOTTSWSA-N -2 3 386.451 1.402 20 0 GDADHL O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1=O ZINC000833131007 601111341 /nfs/dbraw/zinc/11/13/41/601111341.db2.gz LHRSZIIAUZWZPI-CYBMUJFWSA-N -2 3 397.412 1.823 20 0 GDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)s1 ZINC000548197869 601214982 /nfs/dbraw/zinc/21/49/82/601214982.db2.gz UMUMZYKPGREWQS-SNVBAGLBSA-N -2 3 391.448 1.709 20 0 GDADHL CCC(CC)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)N1CCOCC1 ZINC000828854904 601215986 /nfs/dbraw/zinc/21/59/86/601215986.db2.gz YEGHZJGOKQFWSC-HNNXBMFYSA-N -2 3 388.486 1.702 20 0 GDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccccc2CN2CCCC2=O)cc1C(=O)[O-] ZINC000833026405 601216480 /nfs/dbraw/zinc/21/64/80/601216480.db2.gz AEFLTFZOQONVHF-UHFFFAOYSA-N -2 3 392.433 1.887 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](Cc2cccc(C)c2)C(=O)[O-])oc1C ZINC000547884559 601220465 /nfs/dbraw/zinc/22/04/65/601220465.db2.gz JCWWCSJAYBRKGP-AWEZNQCLSA-N -2 3 395.433 1.905 20 0 GDADHL CC(C)C(=O)N1CCC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000826651406 601230284 /nfs/dbraw/zinc/23/02/84/601230284.db2.gz 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3 377.813 1.947 20 0 GDADHL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000739500435 599858514 /nfs/dbraw/zinc/85/85/14/599858514.db2.gz BKAMWDPNGPOOHF-SJORKVTESA-N -2 3 382.416 1.809 20 0 GDADHL Cc1ccc(C(=O)NCCC(=O)OCC(=O)c2cc(C(=O)[O-])co2)c([O-])c1 ZINC000738515314 600143254 /nfs/dbraw/zinc/14/32/54/600143254.db2.gz VDRMARAHAWSQHP-UHFFFAOYSA-N -2 3 375.333 1.538 20 0 GDADHL O=C([O-])Cc1nc([N-]C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)n[nH]1 ZINC000739899482 600181982 /nfs/dbraw/zinc/18/19/82/600181982.db2.gz OTBJLKLLFCMOLQ-UHFFFAOYSA-N -2 3 387.377 1.579 20 0 GDADHL CN(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1)C(=O)[O-] ZINC000737486679 600300703 /nfs/dbraw/zinc/30/07/03/600300703.db2.gz UISIBCLEFNWLQP-UHFFFAOYSA-N -3 3 389.389 1.481 20 0 GDADHL CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000736397213 600416720 /nfs/dbraw/zinc/41/67/20/600416720.db2.gz SWAAJPVCAOIHSF-QGZVFWFLSA-N -2 3 386.452 1.205 20 0 GDADHL C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000609658420 600613613 /nfs/dbraw/zinc/61/36/13/600613613.db2.gz RVOOLGWWOGIJBK-DEOSSOPVSA-N -2 3 383.447 1.829 20 0 GDADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)cc1 ZINC000365356104 600626318 /nfs/dbraw/zinc/62/63/18/600626318.db2.gz GCEAALFRLKKLSV-UHFFFAOYSA-N -2 3 377.357 1.229 20 0 GDADHL O=C([O-])CCCc1nnc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)s1 ZINC000739708496 600633037 /nfs/dbraw/zinc/63/30/37/600633037.db2.gz RQPJICSDSOXMOB-UHFFFAOYSA-N -2 3 393.425 1.203 20 0 GDADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000739200681 600660155 /nfs/dbraw/zinc/66/01/55/600660155.db2.gz HWXOIDNNHUFRKG-MRVPVSSYSA-N -2 3 397.185 1.178 20 0 GDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(CCN3CCOCC3)cc2)c[nH]1 ZINC000833305857 600979585 /nfs/dbraw/zinc/97/95/85/600979585.db2.gz KIKTYVDQWBKAGG-UHFFFAOYSA-N -2 3 379.438 1.388 20 0 GDADHL O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C1=O ZINC000833145401 601151549 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BDJGPBZQAPSTBY-CQSZACIVSA-N -2 3 380.422 1.832 20 0 GDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](CC(=O)[O-])C2CC2)cc1OC ZINC000830137103 601547200 /nfs/dbraw/zinc/54/72/00/601547200.db2.gz VBPSAUVIUCBLLU-CYBMUJFWSA-N -2 3 385.442 1.832 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)ccc1F ZINC000831029250 601624809 /nfs/dbraw/zinc/62/48/09/601624809.db2.gz MRKSUENAMZXXNZ-UHFFFAOYSA-N -2 3 396.396 1.840 20 0 GDADHL COC[C@](C)(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000539614759 601694608 /nfs/dbraw/zinc/69/46/08/601694608.db2.gz WXPSPQQOMLOQLD-HNNXBMFYSA-N -2 3 383.198 1.510 20 0 GDADHL O=C([O-])[C@@]1(F)CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)C1 ZINC000767217360 601711984 /nfs/dbraw/zinc/71/19/84/601711984.db2.gz TVLVZDFOMNWOKN-MRXNPFEDSA-N -2 3 399.375 1.593 20 0 GDADHL O=C([O-])CN(C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000833244895 601745728 /nfs/dbraw/zinc/74/57/28/601745728.db2.gz VWEUWCIILGQQRC-UHFFFAOYSA-N -2 3 395.264 1.737 20 0 GDADHL 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Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC1CN(C(=O)[O-])C1 ZINC000830948950 604774043 /nfs/dbraw/zinc/77/40/43/604774043.db2.gz QZPVVYMIVKJAHT-UHFFFAOYSA-N -2 3 384.348 1.085 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)cc1F ZINC000832704052 604809357 /nfs/dbraw/zinc/80/93/57/604809357.db2.gz UJAYAXPZYXSDJP-UHFFFAOYSA-N -2 3 389.382 1.663 20 0 GDADHL CC(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833484545 605033184 /nfs/dbraw/zinc/03/31/84/605033184.db2.gz QOXICTFVPWOYGI-QMMMGPOBSA-N -2 3 398.250 1.972 20 0 GDADHL CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@@H](C)C1 ZINC000833393963 605080445 /nfs/dbraw/zinc/08/04/45/605080445.db2.gz MTIBUIBDPPICCK-GZMMTYOYSA-N -2 3 376.381 1.198 20 0 GDADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@H](O)C(=O)[O-] ZINC000833750965 605091909 /nfs/dbraw/zinc/09/19/09/605091909.db2.gz JPWVYHMIJFDXBJ-HNNXBMFYSA-N -2 3 396.396 1.110 20 0 GDADHL CC(C)C[C@H](NC(=O)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000833492153 605210438 /nfs/dbraw/zinc/21/04/38/605210438.db2.gz JNMKJCOAACPJPD-JTQLQIEISA-N -2 3 398.268 1.282 20 0 GDADHL CC[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)CC[C@H]1NC(=O)[O-] ZINC000833852138 605359125 /nfs/dbraw/zinc/35/91/25/605359125.db2.gz XZJQNGPUKDLCDO-GXFFZTMASA-N -2 3 387.433 1.242 20 0 GDADHL CC[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)CC[C@@H]1NC(=O)[O-] ZINC000833852139 605359360 /nfs/dbraw/zinc/35/93/60/605359360.db2.gz XZJQNGPUKDLCDO-MFKMUULPSA-N -2 3 387.433 1.242 20 0 GDADHL O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000834041586 605682745 /nfs/dbraw/zinc/68/27/45/605682745.db2.gz LBHWGRWKSLYTQC-QGZVFWFLSA-N -2 3 383.404 1.343 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c(C)c1 ZINC000821669397 606210617 /nfs/dbraw/zinc/21/06/17/606210617.db2.gz JTTHCGWRKZNEMW-UHFFFAOYSA-N -2 3 389.393 1.468 20 0 GDADHL C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000820636598 606589759 /nfs/dbraw/zinc/58/97/59/606589759.db2.gz UYVGIPOXEGIKLX-INIZCTEOSA-N -2 3 383.393 1.040 20 0 GDADHL CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3nn[n-]n3)s2)C1=O ZINC000820966074 606589862 /nfs/dbraw/zinc/58/98/62/606589862.db2.gz BTOCOCDZSFMKRX-KRWDZBQOSA-N -2 3 397.420 1.430 20 0 GDADHL O=C(CCSc1ccccn1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822974696 606746681 /nfs/dbraw/zinc/74/66/81/606746681.db2.gz ZBJQXRXGGOURAX-UHFFFAOYSA-N -2 3 390.450 1.249 20 0 GDADHL O=C(CCSc1ccccn1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822974696 606746683 /nfs/dbraw/zinc/74/66/83/606746683.db2.gz ZBJQXRXGGOURAX-UHFFFAOYSA-N -2 3 390.450 1.249 20 0 GDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)cnn1C ZINC000822123273 606765560 /nfs/dbraw/zinc/76/55/60/606765560.db2.gz YIMYIPYMIVCHNN-UHFFFAOYSA-N -2 3 387.347 1.728 20 0 GDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cnn1C ZINC000822123273 606765562 /nfs/dbraw/zinc/76/55/62/606765562.db2.gz YIMYIPYMIVCHNN-UHFFFAOYSA-N -2 3 387.347 1.728 20 0 GDADHL CC(C)c1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820192530 606799061 /nfs/dbraw/zinc/79/90/61/606799061.db2.gz RQPSAPQSHRKLNN-UHFFFAOYSA-N -2 3 386.437 1.645 20 0 GDADHL CC(C)c1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820192530 606799062 /nfs/dbraw/zinc/79/90/62/606799062.db2.gz RQPSAPQSHRKLNN-UHFFFAOYSA-N -2 3 386.437 1.645 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC1CCSCC1 ZINC000822222717 606801542 /nfs/dbraw/zinc/80/15/42/606801542.db2.gz QVDHUQNJRJFESV-UHFFFAOYSA-N -2 3 381.483 1.513 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC1CCSCC1 ZINC000822222717 606801544 /nfs/dbraw/zinc/80/15/44/606801544.db2.gz QVDHUQNJRJFESV-UHFFFAOYSA-N -2 3 381.483 1.513 20 0 GDADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000823266276 606807122 /nfs/dbraw/zinc/80/71/22/606807122.db2.gz QFLLISGXBKIDPU-UHFFFAOYSA-N -2 3 393.367 1.804 20 0 GDADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000823266276 606807123 /nfs/dbraw/zinc/80/71/23/606807123.db2.gz QFLLISGXBKIDPU-UHFFFAOYSA-N -2 3 393.367 1.804 20 0 GDADHL CC1(C)[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H]2CCCO[C@H]21 ZINC000820585891 606893400 /nfs/dbraw/zinc/89/34/00/606893400.db2.gz RDUKBHTUQMKOHV-CUOATXAZSA-N -2 3 399.423 1.627 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000820543161 607105735 /nfs/dbraw/zinc/10/57/35/607105735.db2.gz VLIFCSHCWONVCP-PXAZEXFGSA-N -2 3 393.403 1.845 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000820543161 607105736 /nfs/dbraw/zinc/10/57/36/607105736.db2.gz VLIFCSHCWONVCP-PXAZEXFGSA-N -2 3 393.403 1.845 20 0 GDADHL Cc1cc(OCC(=O)[O-])ccc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822210444 607109165 /nfs/dbraw/zinc/10/91/65/607109165.db2.gz BSASBJGXTPFTPF-UHFFFAOYSA-N -2 3 383.364 1.656 20 0 GDADHL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1Cl ZINC000821342297 607121626 /nfs/dbraw/zinc/12/16/26/607121626.db2.gz ATVSWEWQNSEWBY-UHFFFAOYSA-N -2 3 397.804 1.221 20 0 GDADHL O=C(C[C@@H]1CSCCS1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826404713 607777739 /nfs/dbraw/zinc/77/77/39/607777739.db2.gz JPMGNTVEGVXLPY-GFCCVEGCSA-N -2 3 399.523 1.051 20 0 GDADHL O=C(C[C@@H]1CSCCS1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826404713 607777740 /nfs/dbraw/zinc/77/77/40/607777740.db2.gz JPMGNTVEGVXLPY-GFCCVEGCSA-N -2 3 399.523 1.051 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3c2oc(=O)n3C)c1-c1nnn[n-]1 ZINC000826303899 607809530 /nfs/dbraw/zinc/80/95/30/607809530.db2.gz LJFGVGMRMCAYCJ-UHFFFAOYSA-N -2 3 386.393 1.421 20 0 GDADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3c2oc(=O)n3C)c1-c1nn[n-]n1 ZINC000826303899 607809531 /nfs/dbraw/zinc/80/95/31/607809531.db2.gz LJFGVGMRMCAYCJ-UHFFFAOYSA-N -2 3 386.393 1.421 20 0 GDADHL O=S(=O)([N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488210 607818986 /nfs/dbraw/zinc/81/89/86/607818986.db2.gz KNNVPTZLGYHEFQ-OWYVNGRQSA-N -2 3 397.407 1.381 20 0 GDADHL O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826461604 607933569 /nfs/dbraw/zinc/93/35/69/607933569.db2.gz AYFAHOTTXGASFT-UHFFFAOYSA-N -2 3 389.368 1.455 20 0 GDADHL O=C([O-])c1cc(F)cc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826461604 607933570 /nfs/dbraw/zinc/93/35/70/607933570.db2.gz AYFAHOTTXGASFT-UHFFFAOYSA-N -2 3 389.368 1.455 20 0 GDADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826461102 608011347 /nfs/dbraw/zinc/01/13/47/608011347.db2.gz GECVKAYWBZXBRG-VIFPVBQESA-N -2 3 391.331 1.123 20 0 GDADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826461102 608011348 /nfs/dbraw/zinc/01/13/48/608011348.db2.gz GECVKAYWBZXBRG-VIFPVBQESA-N -2 3 391.331 1.123 20 0 GDADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1F ZINC000826214490 608075712 /nfs/dbraw/zinc/07/57/12/608075712.db2.gz NEZFHXGSQJICKJ-UHFFFAOYSA-N -2 3 391.384 1.442 20 0 GDADHL COc1cccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1F ZINC000826214490 608075713 /nfs/dbraw/zinc/07/57/13/608075713.db2.gz NEZFHXGSQJICKJ-UHFFFAOYSA-N -2 3 391.384 1.442 20 0 GDADHL COc1ccc2[nH]nc([N-]S(=O)(=O)c3cc(-c4nnn[n-]4)ccc3C)c2c1 ZINC000826212638 608111173 /nfs/dbraw/zinc/11/11/73/608111173.db2.gz WODWNXWHGUUXKU-UHFFFAOYSA-N -2 3 385.409 1.861 20 0 GDADHL COc1ccc2[nH]nc([N-]S(=O)(=O)c3cc(-c4nn[n-]n4)ccc3C)c2c1 ZINC000826212638 608111174 /nfs/dbraw/zinc/11/11/74/608111174.db2.gz WODWNXWHGUUXKU-UHFFFAOYSA-N -2 3 385.409 1.861 20 0 GDADHL C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824883729 608125213 /nfs/dbraw/zinc/12/52/13/608125213.db2.gz IWNSMTYKFIFNBX-NXEZZACHSA-N -2 3 387.412 1.628 20 0 GDADHL C[C@]1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO[C@@H]1C1CC1 ZINC000824838509 608128074 /nfs/dbraw/zinc/12/80/74/608128074.db2.gz RBJCGRYGROLZJC-HIFRSBDPSA-N -2 3 385.396 1.381 20 0 GDADHL Cc1ccncc1C=CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826315910 608142893 /nfs/dbraw/zinc/14/28/93/608142893.db2.gz YHUGLMZVHBXQJJ-WAYWQWQTSA-N -2 3 384.421 1.397 20 0 GDADHL Cc1ccncc1C=CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826315910 608142894 /nfs/dbraw/zinc/14/28/94/608142894.db2.gz YHUGLMZVHBXQJJ-WAYWQWQTSA-N -2 3 384.421 1.397 20 0 GDADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825075515 608144958 /nfs/dbraw/zinc/14/49/58/608144958.db2.gz OYHYFUVBUFBCAH-LLVKDONJSA-N -2 3 389.441 1.219 20 0 GDADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825075515 608144959 /nfs/dbraw/zinc/14/49/59/608144959.db2.gz OYHYFUVBUFBCAH-LLVKDONJSA-N -2 3 389.441 1.219 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccn1 ZINC000826279997 608220006 /nfs/dbraw/zinc/22/00/06/608220006.db2.gz KMOVVWFKVMZUDV-UHFFFAOYSA-N -2 3 382.409 1.761 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccn1 ZINC000826279997 608220007 /nfs/dbraw/zinc/22/00/07/608220007.db2.gz KMOVVWFKVMZUDV-UHFFFAOYSA-N -2 3 382.409 1.761 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccnc2ccccc21 ZINC000826450565 608247944 /nfs/dbraw/zinc/24/79/44/608247944.db2.gz RNJVJPAFVBCDJO-UHFFFAOYSA-N -2 3 380.389 1.534 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccnc2ccccc21 ZINC000826450565 608247945 /nfs/dbraw/zinc/24/79/45/608247945.db2.gz RNJVJPAFVBCDJO-UHFFFAOYSA-N -2 3 380.389 1.534 20 0 GDADHL O=C(C=Cc1ccc(Cl)nc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826399826 608274742 /nfs/dbraw/zinc/27/47/42/608274742.db2.gz HGCBCVDAHSQSFZ-FNORWQNLSA-N -2 3 390.812 1.433 20 0 GDADHL O=C(C=Cc1ccc(Cl)nc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826399826 608274744 /nfs/dbraw/zinc/27/47/44/608274744.db2.gz HGCBCVDAHSQSFZ-FNORWQNLSA-N -2 3 390.812 1.433 20 0 GDADHL CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000824071842 608306502 /nfs/dbraw/zinc/30/65/02/608306502.db2.gz OQZBBKTYHHQPEM-UHFFFAOYSA-N -2 3 375.414 1.619 20 0 GDADHL CCn1[n-]c(-c2ccccc2)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000825464567 608493675 /nfs/dbraw/zinc/49/36/75/608493675.db2.gz DNLQQUOZGSSNJL-OAHLLOKOSA-N -2 3 375.392 1.688 20 0 GDADHL CCn1[n-]c(-c2ccccc2)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000825464567 608493676 /nfs/dbraw/zinc/49/36/76/608493676.db2.gz DNLQQUOZGSSNJL-OAHLLOKOSA-N -2 3 375.392 1.688 20 0 GDADHL Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824859254 608493700 /nfs/dbraw/zinc/49/37/00/608493700.db2.gz OTXSYPAUFYKQCV-CQSZACIVSA-N -2 3 391.395 1.251 20 0 GDADHL Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824859254 608493701 /nfs/dbraw/zinc/49/37/01/608493701.db2.gz OTXSYPAUFYKQCV-CQSZACIVSA-N -2 3 391.395 1.251 20 0 GDADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)CC(=O)[O-] ZINC000530488428 649976916 /nfs/dbraw/zinc/97/69/16/649976916.db2.gz KLPPXASIYNTELT-MRVPVSSYSA-N -2 3 382.797 1.206 20 0 GDADHL CCC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825255717 609142110 /nfs/dbraw/zinc/14/21/10/609142110.db2.gz YRGAPMBHUICEFZ-GJZGRUSLSA-N -2 3 393.469 1.408 20 0 GDADHL CCC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825255717 609142112 /nfs/dbraw/zinc/14/21/12/609142112.db2.gz YRGAPMBHUICEFZ-GJZGRUSLSA-N -2 3 393.469 1.408 20 0 GDADHL CCOC(=O)c1oc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nc1C ZINC000825576586 609339704 /nfs/dbraw/zinc/33/97/04/609339704.db2.gz LAQTWFCCCAGYMH-UHFFFAOYSA-N -2 3 378.370 1.141 20 0 GDADHL CCOC(=O)c1oc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nc1C ZINC000825576586 609339705 /nfs/dbraw/zinc/33/97/05/609339705.db2.gz LAQTWFCCCAGYMH-UHFFFAOYSA-N -2 3 378.370 1.141 20 0 GDADHL CN(C)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000825883776 609383260 /nfs/dbraw/zinc/38/32/60/609383260.db2.gz NGGUKINUQNMHHZ-UHFFFAOYSA-N -2 3 379.833 1.782 20 0 GDADHL COCCCn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826157527 609528164 /nfs/dbraw/zinc/52/81/64/609528164.db2.gz YYCBMOKUTITDEK-UHFFFAOYSA-N -2 3 397.848 1.554 20 0 GDADHL COCCCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826157527 609528166 /nfs/dbraw/zinc/52/81/66/609528166.db2.gz YYCBMOKUTITDEK-UHFFFAOYSA-N -2 3 397.848 1.554 20 0 GDADHL CC(C)c1nc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)no1 ZINC000539796237 650340926 /nfs/dbraw/zinc/34/09/26/650340926.db2.gz OEGPRLHQOQZKRN-UHFFFAOYSA-N -2 3 378.407 1.504 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c(C(=O)OC)s1 ZINC000547892612 650518773 /nfs/dbraw/zinc/51/87/73/650518773.db2.gz DYDCIJALRTXJHX-QMMMGPOBSA-N -2 3 393.439 1.243 20 0 GDADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c1ccccc1 ZINC000548262265 650540026 /nfs/dbraw/zinc/54/00/26/650540026.db2.gz JWTRHZZTLLLHOT-NSHDSACASA-N -2 3 384.435 1.467 20 0 GDADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000557381790 650724018 /nfs/dbraw/zinc/72/40/18/650724018.db2.gz NDLFFWJZSXPWCT-MRVPVSSYSA-N -2 3 389.373 1.022 20 0 GDADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c1 ZINC000066813724 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598841219 /nfs/dbraw/zinc/84/12/19/598841219.db2.gz RDJRXWJEIIEDGH-UHFFFAOYSA-N -2 3 376.373 1.214 20 0 GDADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000737238377 598841681 /nfs/dbraw/zinc/84/16/81/598841681.db2.gz LXBRJEUZIMLZPU-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000737238377 598841683 /nfs/dbraw/zinc/84/16/83/598841683.db2.gz LXBRJEUZIMLZPU-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735458256 598842400 /nfs/dbraw/zinc/84/24/00/598842400.db2.gz JOXBWKFLIOPJIM-UHFFFAOYSA-N -2 3 390.400 1.789 20 0 GDADHL CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735458256 598842401 /nfs/dbraw/zinc/84/24/01/598842401.db2.gz JOXBWKFLIOPJIM-UHFFFAOYSA-N -2 3 390.400 1.789 20 0 GDADHL COCCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737016508 598843301 /nfs/dbraw/zinc/84/33/01/598843301.db2.gz ZCCFBQSRPRRCPN-UHFFFAOYSA-N -2 3 393.400 1.832 20 0 GDADHL COCCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737016508 598843303 /nfs/dbraw/zinc/84/33/03/598843303.db2.gz ZCCFBQSRPRRCPN-UHFFFAOYSA-N -2 3 393.400 1.832 20 0 GDADHL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000735700440 598855061 /nfs/dbraw/zinc/85/50/61/598855061.db2.gz GPYKNTLOAAXVEO-QMMMGPOBSA-N -2 3 391.375 1.983 20 0 GDADHL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000735700440 598855063 /nfs/dbraw/zinc/85/50/63/598855063.db2.gz GPYKNTLOAAXVEO-QMMMGPOBSA-N -2 3 391.375 1.983 20 0 GDADHL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736938649 598950591 /nfs/dbraw/zinc/95/05/91/598950591.db2.gz AKSAZDKSYYMERE-UHFFFAOYSA-N -2 3 376.398 1.399 20 0 GDADHL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736938649 598950593 /nfs/dbraw/zinc/95/05/93/598950593.db2.gz AKSAZDKSYYMERE-UHFFFAOYSA-N -2 3 376.398 1.399 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1C(=O)[O-] ZINC000821846478 607255449 /nfs/dbraw/zinc/25/54/49/607255449.db2.gz SHLHLRINXYQUHU-UHFFFAOYSA-N -2 3 389.393 1.683 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ncccc1OC(F)F ZINC000737301965 598969015 /nfs/dbraw/zinc/96/90/15/598969015.db2.gz YRDPVUCIBIJTSI-UHFFFAOYSA-N -2 3 382.352 1.972 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ncccc1OC(F)F ZINC000737301965 598969016 /nfs/dbraw/zinc/96/90/16/598969016.db2.gz YRDPVUCIBIJTSI-UHFFFAOYSA-N -2 3 382.352 1.972 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc2ccsc2[nH]1 ZINC000737299962 598975374 /nfs/dbraw/zinc/97/53/74/598975374.db2.gz SOVPBJVANZXNAD-UHFFFAOYSA-N -2 3 388.434 1.837 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc2ccsc2[nH]1 ZINC000737299962 598975376 /nfs/dbraw/zinc/97/53/76/598975376.db2.gz SOVPBJVANZXNAD-UHFFFAOYSA-N -2 3 388.434 1.837 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCC2 ZINC000737298372 598978293 /nfs/dbraw/zinc/97/82/93/598978293.db2.gz ILMSOJWJTLNTSK-UHFFFAOYSA-N -2 3 397.460 1.711 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCC2 ZINC000737298372 598978295 /nfs/dbraw/zinc/97/82/95/598978295.db2.gz ILMSOJWJTLNTSK-UHFFFAOYSA-N -2 3 397.460 1.711 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc2ncccc21)c1sccc1-c1nnn[n-]1 ZINC000738139718 599027210 /nfs/dbraw/zinc/02/72/10/599027210.db2.gz OAMWIXZKJHZHBE-UHFFFAOYSA-N -2 3 386.418 1.595 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc2ncccc21)c1sccc1-c1nn[n-]n1 ZINC000738139718 599027212 /nfs/dbraw/zinc/02/72/12/599027212.db2.gz OAMWIXZKJHZHBE-UHFFFAOYSA-N -2 3 386.418 1.595 20 0 GDADHL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000821666805 599231064 /nfs/dbraw/zinc/23/10/64/599231064.db2.gz GZRCRQITTMPJKZ-UHFFFAOYSA-N -2 3 378.370 1.059 20 0 GDADHL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000821666805 599231066 /nfs/dbraw/zinc/23/10/66/599231066.db2.gz GZRCRQITTMPJKZ-UHFFFAOYSA-N -2 3 378.370 1.059 20 0 GDADHL C[C@@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736278138 598330974 /nfs/dbraw/zinc/33/09/74/598330974.db2.gz DAOCXULRCNMCOK-GFCCVEGCSA-N -2 3 398.448 1.683 20 0 GDADHL C[C@@H]1CCc2ccccc2N1S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736278138 598330976 /nfs/dbraw/zinc/33/09/76/598330976.db2.gz DAOCXULRCNMCOK-GFCCVEGCSA-N -2 3 398.448 1.683 20 0 GDADHL COc1cccc([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737129832 598414598 /nfs/dbraw/zinc/41/45/98/598414598.db2.gz UJBGKFPPFQUSPS-CVEARBPZSA-N -2 3 399.432 1.484 20 0 GDADHL COc1cccc([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737129832 598414599 /nfs/dbraw/zinc/41/45/99/598414599.db2.gz UJBGKFPPFQUSPS-CVEARBPZSA-N -2 3 399.432 1.484 20 0 GDADHL CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735839135 598416007 /nfs/dbraw/zinc/41/60/07/598416007.db2.gz LIHUYBGRJWLPGH-VIFPVBQESA-N -2 3 387.849 1.386 20 0 GDADHL CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735839135 598416008 /nfs/dbraw/zinc/41/60/08/598416008.db2.gz LIHUYBGRJWLPGH-VIFPVBQESA-N -2 3 387.849 1.386 20 0 GDADHL Cn1nccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737627517 598450832 /nfs/dbraw/zinc/45/08/32/598450832.db2.gz JGQFRWMEWVBQFK-UHFFFAOYSA-N -2 3 398.408 1.588 20 0 GDADHL Cc1nc(S(=O)(=O)[N-]c2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c[nH]1 ZINC000737499794 598450906 /nfs/dbraw/zinc/45/09/06/598450906.db2.gz OHGNBOIDGNUCDL-UHFFFAOYSA-N -2 3 398.408 1.886 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2OC)o1 ZINC000736950402 598456523 /nfs/dbraw/zinc/45/65/23/598456523.db2.gz YWLSVLJEMMVNKT-UHFFFAOYSA-N -2 3 379.354 1.056 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC)o1 ZINC000736950402 598456525 /nfs/dbraw/zinc/45/65/25/598456525.db2.gz YWLSVLJEMMVNKT-UHFFFAOYSA-N -2 3 379.354 1.056 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCc2sccc21 ZINC000823285123 607358235 /nfs/dbraw/zinc/35/82/35/607358235.db2.gz NEYQWEQAWNZKNI-CYBMUJFWSA-N -2 3 389.462 1.853 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCc2sccc21 ZINC000823285123 607358237 /nfs/dbraw/zinc/35/82/37/607358237.db2.gz NEYQWEQAWNZKNI-CYBMUJFWSA-N -2 3 389.462 1.853 20 0 GDADHL O=C(Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737968631 598537070 /nfs/dbraw/zinc/53/70/70/598537070.db2.gz LBOSUCKRYHJCRK-UHFFFAOYSA-N -2 3 377.813 1.568 20 0 GDADHL O=C(Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737968631 598537072 /nfs/dbraw/zinc/53/70/72/598537072.db2.gz LBOSUCKRYHJCRK-UHFFFAOYSA-N -2 3 377.813 1.568 20 0 GDADHL CSC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000821955740 607358863 /nfs/dbraw/zinc/35/88/63/607358863.db2.gz AKRYFPFXYUEEHY-SNAWJCMRSA-N -2 3 393.372 1.567 20 0 GDADHL CSC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000821955740 607358865 /nfs/dbraw/zinc/35/88/65/607358865.db2.gz AKRYFPFXYUEEHY-SNAWJCMRSA-N -2 3 393.372 1.567 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc2cnccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738140495 598601829 /nfs/dbraw/zinc/60/18/29/598601829.db2.gz WFSIPNFZOOLAFQ-UHFFFAOYSA-N -2 3 380.389 1.534 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc2cnccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738140495 598601830 /nfs/dbraw/zinc/60/18/30/598601830.db2.gz WFSIPNFZOOLAFQ-UHFFFAOYSA-N -2 3 380.389 1.534 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCOc2ccccc21 ZINC000738139139 598642850 /nfs/dbraw/zinc/64/28/50/598642850.db2.gz LFJIXOOKZKWRBB-OAHLLOKOSA-N -2 3 399.432 1.379 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCOc2ccccc21 ZINC000738139139 598642852 /nfs/dbraw/zinc/64/28/52/598642852.db2.gz LFJIXOOKZKWRBB-OAHLLOKOSA-N -2 3 399.432 1.379 20 0 GDADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737203359 598673746 /nfs/dbraw/zinc/67/37/46/598673746.db2.gz TXNVCPKIZNWHTI-UHFFFAOYSA-N -2 3 398.408 1.886 20 0 GDADHL O=C(Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1)c1cc(=O)[nH][n-]1 ZINC000738301335 598721285 /nfs/dbraw/zinc/72/12/85/598721285.db2.gz NOGWCXFAQNOVFO-UHFFFAOYSA-N -2 3 395.354 1.399 20 0 GDADHL O=C(Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1)c1cc(=O)[nH][n-]1 ZINC000738301335 598721287 /nfs/dbraw/zinc/72/12/87/598721287.db2.gz NOGWCXFAQNOVFO-UHFFFAOYSA-N -2 3 395.354 1.399 20 0 GDADHL O=C(CC[C@@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737825274 598734929 /nfs/dbraw/zinc/73/49/29/598734929.db2.gz XBXLLRDILZUMKU-ZDUSSCGKSA-N -2 3 379.442 1.162 20 0 GDADHL O=C(CC[C@@H]1CCCCO1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737825274 598734931 /nfs/dbraw/zinc/73/49/31/598734931.db2.gz XBXLLRDILZUMKU-ZDUSSCGKSA-N -2 3 379.442 1.162 20 0 GDADHL C[C@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736262954 598801841 /nfs/dbraw/zinc/80/18/41/598801841.db2.gz OIANPVILGMXXLH-WFASDCNBSA-N -2 3 393.469 1.408 20 0 GDADHL C[C@H]1CCC[C@H](OCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 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ZINC000826401028 608247354 /nfs/dbraw/zinc/24/73/54/608247354.db2.gz NIPDCVCODNNGFU-ALCCZGGFSA-N -2 3 394.416 1.866 20 0 GDADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc(Cl)c2O1 ZINC000825013048 608304859 /nfs/dbraw/zinc/30/48/59/608304859.db2.gz NTQRSNCPNGEOQO-LURJTMIESA-N -2 3 381.805 1.367 20 0 GDADHL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000826298550 608456455 /nfs/dbraw/zinc/45/64/55/608456455.db2.gz YDUXACASPQXNIW-UHFFFAOYSA-N -2 3 380.817 1.286 20 0 GDADHL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000826298550 608456457 /nfs/dbraw/zinc/45/64/57/608456457.db2.gz YDUXACASPQXNIW-UHFFFAOYSA-N -2 3 380.817 1.286 20 0 GDADHL CC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825184764 609139167 /nfs/dbraw/zinc/13/91/67/609139167.db2.gz ZCOUNMNOQSYNFA-UONOGXRCSA-N -2 3 379.442 1.018 20 0 GDADHL CC[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825184764 609139168 /nfs/dbraw/zinc/13/91/68/609139168.db2.gz ZCOUNMNOQSYNFA-UONOGXRCSA-N -2 3 379.442 1.018 20 0 GDADHL CCC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825255212 609139347 /nfs/dbraw/zinc/13/93/47/609139347.db2.gz WKXFCJBSCIAANM-CHWSQXEVSA-N -2 3 379.442 1.267 20 0 GDADHL CCC[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825255212 609139348 /nfs/dbraw/zinc/13/93/48/609139348.db2.gz WKXFCJBSCIAANM-CHWSQXEVSA-N -2 3 379.442 1.267 20 0 GDADHL CC[C@@H](C)n1nc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825082136 609385258 /nfs/dbraw/zinc/38/52/58/609385258.db2.gz QMTZKMNLRTZFEA-SNVBAGLBSA-N -2 3 389.441 1.461 20 0 GDADHL CC[C@@H](C)n1nc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825082136 609385260 /nfs/dbraw/zinc/38/52/60/609385260.db2.gz QMTZKMNLRTZFEA-SNVBAGLBSA-N -2 3 389.441 1.461 20 0 GDADHL NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826391293 609526492 /nfs/dbraw/zinc/52/64/92/609526492.db2.gz DZTWEBXQOKOLEZ-UHFFFAOYSA-N -2 3 392.828 1.349 20 0 GDADHL NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826391293 609526494 /nfs/dbraw/zinc/52/64/94/609526494.db2.gz DZTWEBXQOKOLEZ-UHFFFAOYSA-N -2 3 392.828 1.349 20 0 GDADHL O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548204673 650535085 /nfs/dbraw/zinc/53/50/85/650535085.db2.gz JZGNULXBODWYOV-WPRPVWTQSA-N -2 3 379.232 1.002 20 0 GDADHL Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000554973120 650684141 /nfs/dbraw/zinc/68/41/41/650684141.db2.gz CPOXBEXDYNFFBJ-SSDOTTSWSA-N -2 3 394.475 1.397 20 0 GDADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC000566735764 650863292 /nfs/dbraw/zinc/86/32/92/650863292.db2.gz GBENWFRUYWTZOQ-BJHJDKERSA-N -2 3 390.483 1.370 20 0 GDADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2cccc3nsnc32)c(=O)[n-]1 ZINC000048640208 644392857 /nfs/dbraw/zinc/39/28/57/644392857.db2.gz MHWWSIURWCXCAU-UHFFFAOYSA-N -2 3 379.423 1.279 20 0 GDADHL CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000055617555 644473689 /nfs/dbraw/zinc/47/36/89/644473689.db2.gz GPDKCJYVBIBCAN-VIFPVBQESA-N -2 3 381.376 1.334 20 0 GDADHL CN(C)c1ncccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000438231510 646221876 /nfs/dbraw/zinc/22/18/76/646221876.db2.gz WQVKUDDDNXIAEX-UHFFFAOYSA-N -2 3 388.446 1.459 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c(F)c1 ZINC000463781675 647565433 /nfs/dbraw/zinc/56/54/33/647565433.db2.gz LWELLNJJUFBDJW-UHFFFAOYSA-N -2 3 384.361 1.590 20 0 GDADHL C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C[C@@H]1C(=O)[O-] ZINC000518187946 648589435 /nfs/dbraw/zinc/58/94/35/648589435.db2.gz QORSWZPOSTUJHC-KWQFWETISA-N -2 3 385.833 1.251 20 0 GDADHL C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C[C@@H]1C(=O)[O-] ZINC000518187946 648589438 /nfs/dbraw/zinc/58/94/38/648589438.db2.gz QORSWZPOSTUJHC-KWQFWETISA-N -2 3 385.833 1.251 20 0 GDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)c(F)cc1Br ZINC000584159938 652058065 /nfs/dbraw/zinc/05/80/65/652058065.db2.gz LAIVIFAIFBWIIJ-PRHODGIISA-N -2 3 396.234 1.665 20 0 GDADHL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)Nc1nnc(C(F)(F)F)[n-]1 ZINC000584558921 652075177 /nfs/dbraw/zinc/07/51/77/652075177.db2.gz RYPPWAJVUFPODW-UHFFFAOYSA-N -2 3 385.274 1.019 20 0 GDADHL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000584558921 652075183 /nfs/dbraw/zinc/07/51/83/652075183.db2.gz RYPPWAJVUFPODW-UHFFFAOYSA-N -2 3 385.274 1.019 20 0 GDADHL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)Nc1n[n-]c(C(F)(F)F)n1 ZINC000584558921 652075188 /nfs/dbraw/zinc/07/51/88/652075188.db2.gz RYPPWAJVUFPODW-UHFFFAOYSA-N -2 3 385.274 1.019 20 0 GDADHL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)C[C@H](OC)[C@H]2CCOC2)c1[O-] ZINC000594698037 652348386 /nfs/dbraw/zinc/34/83/86/652348386.db2.gz TYTRRCZJVZADJR-ZANVPECISA-N -2 3 393.845 1.625 20 0 GDADHL Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)o1 ZINC000625237827 653023951 /nfs/dbraw/zinc/02/39/51/653023951.db2.gz ZHRCKKIVRXSGON-UHFFFAOYSA-N -2 3 377.419 1.281 20 0 GDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCCO2)c(F)cc1Br ZINC000630421500 653210565 /nfs/dbraw/zinc/21/05/65/653210565.db2.gz FUFCVIZKTYOAQQ-CMPLNLGQSA-N -2 3 396.234 1.807 20 0 GDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCCO2)c(F)cc1Br ZINC000630421514 653210593 /nfs/dbraw/zinc/21/05/93/653210593.db2.gz FUFCVIZKTYOAQQ-ZYHUDNBSSA-N -2 3 396.234 1.807 20 0 GDADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCCO2)s1 ZINC000630422571 653210994 /nfs/dbraw/zinc/21/09/94/653210994.db2.gz MODOLOUCJKSPIR-BDAKNGLRSA-N -2 3 384.273 1.730 20 0 GDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000650234540 653688721 /nfs/dbraw/zinc/68/87/21/653688721.db2.gz IEKRCNCICZZJRH-OAHLLOKOSA-N -2 3 383.451 1.422 20 0 GDADHL C[C@@H](CN(C)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)C(=O)[O-] ZINC000736569665 654597782 /nfs/dbraw/zinc/59/77/82/654597782.db2.gz XRILBIMZKAOJTO-QMMMGPOBSA-N -2 3 376.381 1.198 20 0 GDADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)[O-] ZINC000776586289 654697380 /nfs/dbraw/zinc/69/73/80/654697380.db2.gz AUMAOQUIEIBLKY-LURJTMIESA-N -2 3 375.877 1.194 20 0 GDADHL Cn1cc(S(=O)(=O)[N-][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])nc1Cl ZINC000776612280 654699651 /nfs/dbraw/zinc/69/96/51/654699651.db2.gz FAHDZAMDYDRMGJ-JTQLQIEISA-N -2 3 378.237 1.701 20 0 GDADHL O=S(=O)([N-]c1cccc(OS(=O)(=O)c2cnc[n-]2)c1)c1ccccc1 ZINC000742305638 654701780 /nfs/dbraw/zinc/70/17/80/654701780.db2.gz LMPHPBWYBAGODP-UHFFFAOYSA-N -2 3 379.419 1.978 20 0 GDADHL O=S(=O)([N-]c1cccc(OS(=O)(=O)c2c[n-]cn2)c1)c1ccccc1 ZINC000742305638 654701781 /nfs/dbraw/zinc/70/17/81/654701781.db2.gz LMPHPBWYBAGODP-UHFFFAOYSA-N -2 3 379.419 1.978 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccco2)cc1F ZINC000747508994 654786592 /nfs/dbraw/zinc/78/65/92/654786592.db2.gz ILQIIMANBMGANY-DAXSKMNVSA-N -2 3 388.398 1.309 20 0 GDADHL COc1cc(OC)cc(S(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)c1 ZINC000767738018 655303113 /nfs/dbraw/zinc/30/31/13/655303113.db2.gz VXQXPVMQCSFSAM-UHFFFAOYSA-N -2 3 381.307 1.961 20 0 GDADHL C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)[C@@H](C)O1 ZINC000840900474 655303220 /nfs/dbraw/zinc/30/32/20/655303220.db2.gz XSRICRYGXAMJMC-PRJMDXOYSA-N -2 3 382.232 1.832 20 0 GDADHL CC(C)[C@@H](CO)O[N-]C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000843902977 655402981 /nfs/dbraw/zinc/40/29/81/655402981.db2.gz BAZVWCMMXOHQOF-LLVKDONJSA-N -2 3 385.269 1.336 20 0 GDADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000844818207 655417238 /nfs/dbraw/zinc/41/72/38/655417238.db2.gz GOBPPXKDWBJGJL-LURJTMIESA-N -2 3 387.888 1.337 20 0 GDADHL CC(C)(C)C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000821245772 655424838 /nfs/dbraw/zinc/42/48/38/655424838.db2.gz ABMQZEKKPFUUOT-VHSXEESVSA-N -2 3 385.269 1.917 20 0 GDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)CC(C)(C)C)c1 ZINC000821247793 655424944 /nfs/dbraw/zinc/42/49/44/655424944.db2.gz JBQLQBODEPOMGL-MWLCHTKSSA-N -2 3 379.456 1.063 20 0 GDADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2cnn(C(C)C)c2)c1 ZINC000821317298 655426317 /nfs/dbraw/zinc/42/63/17/655426317.db2.gz OIOJLLPQKLLRJP-DEOSSOPVSA-N -2 3 385.467 1.085 20 0 GDADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@H]2CCN(C3CC3)C2)s1 ZINC000871831362 656284725 /nfs/dbraw/zinc/28/47/25/656284725.db2.gz RWLMOFGGNYPLJR-ZETCQYMHSA-N -2 3 395.300 1.724 20 0 GDADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(I)s1)C(=O)[O-] ZINC000899919449 659066759 /nfs/dbraw/zinc/06/67/59/659066759.db2.gz PTHLHICBCYQELA-ZCFIWIBFSA-N -2 3 389.236 1.742 20 0 GDADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCOC[C@H]2CC(=O)[O-])sc1Br ZINC000899950634 659074429 /nfs/dbraw/zinc/07/44/29/659074429.db2.gz PVFHRBOKQPADKD-BDAKNGLRSA-N -2 3 398.300 1.977 20 0 GDADHL CN(C)CCN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906886210 659609294 /nfs/dbraw/zinc/60/92/94/659609294.db2.gz IROZBSQYEMZSCM-UHFFFAOYSA-N -2 3 384.479 1.904 20 0 GDADHL COc1ccc([C@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])cc1F ZINC000562416506 939324598 /nfs/dbraw/zinc/32/45/98/939324598.db2.gz DCBKKCRAXCWMSY-AWEZNQCLSA-N -2 3 387.323 1.665 20 0 GDADHL CCO[C@H]1C[C@](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)(C(=O)[O-])C1(C)C ZINC000577043842 939743807 /nfs/dbraw/zinc/74/38/07/939743807.db2.gz MAFLYRHPXDUROX-SGTLLEGYSA-N -2 3 375.381 1.350 20 0 GDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000678986207 939868980 /nfs/dbraw/zinc/86/89/80/939868980.db2.gz ONTUNIDNSSNXEP-NOZJJQNGSA-N -2 3 399.400 1.039 20 0 GDADHL CC(C)Oc1ccc(NC(=O)CCCn2c(=O)[n-][nH]c2=O)cc1-c1nnn[n-]1 ZINC001571285855 945930663 /nfs/dbraw/zinc/93/06/63/945930663.db2.gz PSCQZSOLXNWXGC-UHFFFAOYSA-N -2 3 388.388 1.076 20 0 GDADHL CC(C)(C)[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1nc(=O)o[n-]1 ZINC001573823012 949814075 /nfs/dbraw/zinc/81/40/75/949814075.db2.gz PUCXJWJVGCLWBM-LBPRGKRZSA-N -2 3 389.441 1.539 20 0 GDADHL CC(C)(C)[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1nc(=O)o[n-]1 ZINC001573823012 949814100 /nfs/dbraw/zinc/81/41/00/949814100.db2.gz PUCXJWJVGCLWBM-LBPRGKRZSA-N -2 3 389.441 1.539 20 0 GDADHL CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@]3(C(=O)[O-])CC3(C)C)c2)n[n-]1 ZINC001591279060 951112504 /nfs/dbraw/zinc/11/25/04/951112504.db2.gz GMROKEPUJDGUDM-LJQANCHMSA-N -2 3 386.408 1.766 20 0 GDADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@]3(C(=O)[O-])CC3(C)C)c2)[n-]1 ZINC001591279060 951112509 /nfs/dbraw/zinc/11/25/09/951112509.db2.gz GMROKEPUJDGUDM-LJQANCHMSA-N -2 3 386.408 1.766 20 0 GDADHL O=C([O-])C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001593276538 951413990 /nfs/dbraw/zinc/41/39/90/951413990.db2.gz MPIDXSKKGSOYKW-SECBINFHSA-N -2 3 385.833 1.538 20 0 GDADHL O=C([O-])C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001593276538 951413996 /nfs/dbraw/zinc/41/39/96/951413996.db2.gz MPIDXSKKGSOYKW-SECBINFHSA-N -2 3 385.833 1.538 20 0 GDADHL CC[C@H](CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC001589524944 955102469 /nfs/dbraw/zinc/10/24/69/955102469.db2.gz ZXPWZOWQRYCLQG-VHSXEESVSA-N -2 3 377.850 1.019 20 0 GDADHL 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/nfs/dbraw/zinc/84/15/53/598841553.db2.gz RGFDSKPZGXAZSF-UHFFFAOYSA-N -2 3 391.388 1.558 20 0 GDADHL CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736879319 598841554 /nfs/dbraw/zinc/84/15/54/598841554.db2.gz RGFDSKPZGXAZSF-UHFFFAOYSA-N -2 3 391.388 1.558 20 0 GDADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000738214259 598842285 /nfs/dbraw/zinc/84/22/85/598842285.db2.gz KFPADVDRHFYJRJ-UHFFFAOYSA-N -3 3 381.320 1.644 20 0 GDADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000738214259 598842287 /nfs/dbraw/zinc/84/22/87/598842287.db2.gz KFPADVDRHFYJRJ-UHFFFAOYSA-N -3 3 381.320 1.644 20 0 GDADHL C[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736274865 598855652 /nfs/dbraw/zinc/85/56/52/598855652.db2.gz VTGCYPVIBQVUFN-SWLSCSKDSA-N -2 3 393.469 1.408 20 0 GDADHL C[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736274865 598855654 /nfs/dbraw/zinc/85/56/54/598855654.db2.gz VTGCYPVIBQVUFN-SWLSCSKDSA-N -2 3 393.469 1.408 20 0 GDADHL C[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736270768 598855804 /nfs/dbraw/zinc/85/58/04/598855804.db2.gz LCASOFYNCUKLAW-SMDDNHRTSA-N -2 3 379.442 1.267 20 0 GDADHL C[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736270768 598855806 /nfs/dbraw/zinc/85/58/06/598855806.db2.gz LCASOFYNCUKLAW-SMDDNHRTSA-N -2 3 379.442 1.267 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1nccc2ccccc21 ZINC000738139767 598856256 /nfs/dbraw/zinc/85/62/56/598856256.db2.gz PJGHENWYEYTPEX-UHFFFAOYSA-N -2 3 380.389 1.534 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1nccc2ccccc21 ZINC000738139767 598856257 /nfs/dbraw/zinc/85/62/57/598856257.db2.gz PJGHENWYEYTPEX-UHFFFAOYSA-N -2 3 380.389 1.534 20 0 GDADHL COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736956210 598946742 /nfs/dbraw/zinc/94/67/42/598946742.db2.gz DMSZRLDAPMUOIG-UHFFFAOYSA-N -2 3 379.423 1.824 20 0 GDADHL COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736956210 598946743 /nfs/dbraw/zinc/94/67/43/598946743.db2.gz DMSZRLDAPMUOIG-UHFFFAOYSA-N -2 3 379.423 1.824 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c(C(N)=O)cc1F ZINC000737279992 598950505 /nfs/dbraw/zinc/95/05/05/598950505.db2.gz IGVGEFQYXSVZDK-UHFFFAOYSA-N -2 3 390.400 1.522 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c(C(N)=O)cc1F ZINC000737279992 598950507 /nfs/dbraw/zinc/95/05/07/598950507.db2.gz IGVGEFQYXSVZDK-UHFFFAOYSA-N -2 3 390.400 1.522 20 0 GDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)o1 ZINC000821343575 607254776 /nfs/dbraw/zinc/25/47/76/607254776.db2.gz PSJMAJZVAQDREY-UHFFFAOYSA-N -2 3 377.382 1.746 20 0 GDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)o1 ZINC000821343575 607254777 /nfs/dbraw/zinc/25/47/77/607254777.db2.gz PSJMAJZVAQDREY-UHFFFAOYSA-N -2 3 377.382 1.746 20 0 GDADHL O=C(C[C@@H]1OCCc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737819689 599150623 /nfs/dbraw/zinc/15/06/23/599150623.db2.gz OKOJLKBTLBPKNQ-INIZCTEOSA-N -2 3 399.432 1.376 20 0 GDADHL O=C(C[C@@H]1OCCc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737819689 599150624 /nfs/dbraw/zinc/15/06/24/599150624.db2.gz OKOJLKBTLBPKNQ-INIZCTEOSA-N -2 3 399.432 1.376 20 0 GDADHL O=S(=O)([N-]c1nncn1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738340509 599286663 /nfs/dbraw/zinc/28/66/63/599286663.db2.gz WNZLSCMNDHYHGC-UHFFFAOYSA-N -2 3 382.409 1.307 20 0 GDADHL O=S(=O)([N-]c1nncn1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738340509 599286665 /nfs/dbraw/zinc/28/66/65/599286665.db2.gz WNZLSCMNDHYHGC-UHFFFAOYSA-N -2 3 382.409 1.307 20 0 GDADHL CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC000735837078 598271593 /nfs/dbraw/zinc/27/15/93/598271593.db2.gz FQHFNVQCYMLVRO-AWEZNQCLSA-N -2 3 392.441 1.547 20 0 GDADHL O=S(=O)([N-]Cc1ccc(-c2nnn[n-]2)cc1F)c1c(F)cc(F)cc1F ZINC000738340068 598313014 /nfs/dbraw/zinc/31/30/14/598313014.db2.gz VXBOOHKACIHTTA-UHFFFAOYSA-N -2 3 387.318 1.902 20 0 GDADHL O=S(=O)([N-]Cc1ccc(-c2nn[n-]n2)cc1F)c1c(F)cc(F)cc1F ZINC000738340068 598313015 /nfs/dbraw/zinc/31/30/15/598313015.db2.gz VXBOOHKACIHTTA-UHFFFAOYSA-N -2 3 387.318 1.902 20 0 GDADHL COc1cc(F)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC)c(F)c1 ZINC000737052821 598366560 /nfs/dbraw/zinc/36/65/60/598366560.db2.gz BJXSPBHXDCMSTP-UHFFFAOYSA-N -2 3 397.363 1.963 20 0 GDADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000737070760 598414676 /nfs/dbraw/zinc/41/46/76/598414676.db2.gz CMRKWQKVLHBWBQ-UHFFFAOYSA-N -2 3 394.800 1.042 20 0 GDADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000737070760 598414678 /nfs/dbraw/zinc/41/46/78/598414678.db2.gz CMRKWQKVLHBWBQ-UHFFFAOYSA-N -2 3 394.800 1.042 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)n1C ZINC000737237001 598416536 /nfs/dbraw/zinc/41/65/36/598416536.db2.gz YMEBODRLVMUUMW-UHFFFAOYSA-N -2 3 394.844 1.594 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)n1C ZINC000737237001 598416538 /nfs/dbraw/zinc/41/65/38/598416538.db2.gz YMEBODRLVMUUMW-UHFFFAOYSA-N -2 3 394.844 1.594 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CC1(Cl)Cl ZINC000738140321 598417008 /nfs/dbraw/zinc/41/70/08/598417008.db2.gz RHOARBSQUNPKPZ-ZETCQYMHSA-N -2 3 396.643 1.519 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CC1(Cl)Cl ZINC000738140321 598417009 /nfs/dbraw/zinc/41/70/09/598417009.db2.gz RHOARBSQUNPKPZ-ZETCQYMHSA-N -2 3 396.643 1.519 20 0 GDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000362959120 598449794 /nfs/dbraw/zinc/44/97/94/598449794.db2.gz YGAJBHQSQVKCCU-UHFFFAOYSA-N -2 3 377.357 1.593 20 0 GDADHL CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c2C1 ZINC000736479740 598452094 /nfs/dbraw/zinc/45/20/94/598452094.db2.gz GBWTYUYRZNEOAY-UHFFFAOYSA-N -2 3 385.453 1.788 20 0 GDADHL CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c2C1 ZINC000736479740 598452096 /nfs/dbraw/zinc/45/20/96/598452096.db2.gz GBWTYUYRZNEOAY-UHFFFAOYSA-N -2 3 385.453 1.788 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCc2sccc21 ZINC000823284135 607357950 /nfs/dbraw/zinc/35/79/50/607357950.db2.gz DJAKVGAMBOCMPM-CYBMUJFWSA-N -2 3 389.462 1.853 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCc2sccc21 ZINC000823284135 607357952 /nfs/dbraw/zinc/35/79/52/607357952.db2.gz DJAKVGAMBOCMPM-CYBMUJFWSA-N -2 3 389.462 1.853 20 0 GDADHL O=S(=O)([N-]c1cnc(-c2cccc(O)c2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738338283 598506080 /nfs/dbraw/zinc/50/60/80/598506080.db2.gz FUEWSNXCXSYITE-UHFFFAOYSA-N -2 3 395.404 1.830 20 0 GDADHL O=S(=O)([N-]c1cnc(-c2cccc(O)c2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738338283 598506082 /nfs/dbraw/zinc/50/60/82/598506082.db2.gz FUEWSNXCXSYITE-UHFFFAOYSA-N -2 3 395.404 1.830 20 0 GDADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000737073050 598516362 /nfs/dbraw/zinc/51/63/62/598516362.db2.gz YNJOWQGEBMUTQN-UHFFFAOYSA-N -2 3 393.812 1.647 20 0 GDADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000737073050 598516364 /nfs/dbraw/zinc/51/63/64/598516364.db2.gz YNJOWQGEBMUTQN-UHFFFAOYSA-N -2 3 393.812 1.647 20 0 GDADHL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)cc2C[C@@H]1C ZINC000735467733 598637216 /nfs/dbraw/zinc/63/72/16/598637216.db2.gz VZNWJESFUCWUAO-JTQLQIEISA-N -2 3 399.436 1.360 20 0 GDADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000737854790 598752689 /nfs/dbraw/zinc/75/26/89/598752689.db2.gz WXKPEZFMJNDEIW-UHFFFAOYSA-N -2 3 392.828 1.353 20 0 GDADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000737854790 598752690 /nfs/dbraw/zinc/75/26/90/598752690.db2.gz WXKPEZFMJNDEIW-UHFFFAOYSA-N -2 3 392.828 1.353 20 0 GDADHL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736423183 598784929 /nfs/dbraw/zinc/78/49/29/598784929.db2.gz LROSAJSJVMYZDA-VXGBXAGGSA-N -2 3 381.458 1.516 20 0 GDADHL O=S(=O)([N-]c1c2nsnc2ccc1Cl)c1ccc(-c2nnn[n-]2)nc1 ZINC000823583377 599307821 /nfs/dbraw/zinc/30/78/21/599307821.db2.gz QDRBKIWTIXBOLG-UHFFFAOYSA-N -2 3 394.829 1.721 20 0 GDADHL O=C1C[C@H](c2cccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)c2)CN1 ZINC000823521609 607377881 /nfs/dbraw/zinc/37/78/81/607377881.db2.gz XSIYCYWDGPRVFD-LBPRGKRZSA-N -2 3 384.421 1.271 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccsc1 ZINC000735550563 599617118 /nfs/dbraw/zinc/61/71/18/599617118.db2.gz KBIOFICKTCXLJV-JTQLQIEISA-N -2 3 377.451 1.678 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000735550563 599617120 /nfs/dbraw/zinc/61/71/20/599617120.db2.gz KBIOFICKTCXLJV-JTQLQIEISA-N -2 3 377.451 1.678 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000819868445 599619602 /nfs/dbraw/zinc/61/96/02/599619602.db2.gz YCIHAWXLROCFFO-NSHDSACASA-N -2 3 389.412 1.756 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000819868445 599619603 /nfs/dbraw/zinc/61/96/03/599619603.db2.gz 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CC(C)Oc1ccc(NC(=O)C(=O)[N-]OCc2ccccc2)cc1-c1nnn[n-]1 ZINC000820160478 607436411 /nfs/dbraw/zinc/43/64/11/607436411.db2.gz LFSOPOQSAUJVCL-UHFFFAOYSA-N -2 3 396.407 1.840 20 0 GDADHL CC(C)Oc1ccc(NC(=O)C(=O)[N-]OCc2ccccc2)cc1-c1nn[n-]n1 ZINC000820160478 607436413 /nfs/dbraw/zinc/43/64/13/607436413.db2.gz LFSOPOQSAUJVCL-UHFFFAOYSA-N -2 3 396.407 1.840 20 0 GDADHL COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)OC(=O)c2cncc([O-])c2)c1 ZINC000737683831 600371664 /nfs/dbraw/zinc/37/16/64/600371664.db2.gz HOIIXIPSMSXVAW-VIFPVBQESA-N -2 3 388.332 1.456 20 0 GDADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000738838415 600496826 /nfs/dbraw/zinc/49/68/26/600496826.db2.gz SYORYGXISVXLEN-UHFFFAOYSA-N -2 3 382.376 1.681 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)cc1C(=O)[O-] ZINC000042794226 600542522 /nfs/dbraw/zinc/54/25/22/600542522.db2.gz UJFZJDVLVDTHJG-UHFFFAOYSA-N -2 3 392.433 1.825 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)cc1C(=O)[O-] ZINC000363618396 600542573 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LAKMQJKYJPTGKB-UHFFFAOYSA-N -2 3 396.864 1.976 20 0 GDADHL O=C(CCc1ccoc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822983586 606613073 /nfs/dbraw/zinc/61/30/73/606613073.db2.gz QWDDMRWNONRWBD-UHFFFAOYSA-N -2 3 381.801 1.551 20 0 GDADHL O=C(CCc1ccoc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822983586 606613074 /nfs/dbraw/zinc/61/30/74/606613074.db2.gz QWDDMRWNONRWBD-UHFFFAOYSA-N -2 3 381.801 1.551 20 0 GDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)n1 ZINC000822622707 606711263 /nfs/dbraw/zinc/71/12/63/606711263.db2.gz HJSQPCGWXHBOSY-UHFFFAOYSA-N -2 3 389.319 1.300 20 0 GDADHL COCCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC000821685716 606758907 /nfs/dbraw/zinc/75/89/07/606758907.db2.gz NMLSSXUDMDEPLO-UHFFFAOYSA-N -2 3 393.469 1.410 20 0 GDADHL COCCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC000821685716 606758909 /nfs/dbraw/zinc/75/89/09/606758909.db2.gz NMLSSXUDMDEPLO-UHFFFAOYSA-N -2 3 393.469 1.410 20 0 GDADHL CCO[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821352162 606758997 /nfs/dbraw/zinc/75/89/97/606758997.db2.gz YJQJLQKQOXPODN-AWEZNQCLSA-N -2 3 381.458 1.264 20 0 GDADHL CCO[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821352162 606758998 /nfs/dbraw/zinc/75/89/98/606758998.db2.gz YJQJLQKQOXPODN-AWEZNQCLSA-N -2 3 381.458 1.264 20 0 GDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(C(=O)[O-])c1 ZINC000822259503 606764252 /nfs/dbraw/zinc/76/42/52/606764252.db2.gz ZMLPDVWUKUDICV-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL C[C@H](COc1ccccc1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820291963 606885974 /nfs/dbraw/zinc/88/59/74/606885974.db2.gz BDGUFYAPBGTHNV-SNVBAGLBSA-N -2 3 395.391 1.891 20 0 GDADHL COc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)ccc1F ZINC000821703151 606923047 /nfs/dbraw/zinc/92/30/47/606923047.db2.gz RALORCHWWHYGMO-UHFFFAOYSA-N -2 3 391.384 1.442 20 0 GDADHL COc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)ccc1F ZINC000821703151 606923049 /nfs/dbraw/zinc/92/30/49/606923049.db2.gz RALORCHWWHYGMO-UHFFFAOYSA-N -2 3 391.384 1.442 20 0 GDADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c(F)c1 ZINC000819817759 607025577 /nfs/dbraw/zinc/02/55/77/607025577.db2.gz LYOJLDJJPHZIPP-UHFFFAOYSA-N -2 3 383.390 1.222 20 0 GDADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000821309974 607032577 /nfs/dbraw/zinc/03/25/77/607032577.db2.gz VNNMZIZUEDMEPU-UHFFFAOYSA-N -2 3 396.864 1.795 20 0 GDADHL CC(C)n1nccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820214555 607083952 /nfs/dbraw/zinc/08/39/52/607083952.db2.gz INQJYVLGHRWDOC-UHFFFAOYSA-N -2 3 395.832 1.416 20 0 GDADHL CC(C)n1nccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820214555 607083954 /nfs/dbraw/zinc/08/39/54/607083954.db2.gz INQJYVLGHRWDOC-UHFFFAOYSA-N -2 3 395.832 1.416 20 0 GDADHL O=C([O-])Cn1ccc2cc(NC(=O)COc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000823387568 607110812 /nfs/dbraw/zinc/11/08/12/607110812.db2.gz PFKWMYLCEITTJK-UHFFFAOYSA-N -2 3 392.375 1.924 20 0 GDADHL Cc1sc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000822153563 607172382 /nfs/dbraw/zinc/17/23/82/607172382.db2.gz MZEYJFWYURCBHV-UHFFFAOYSA-N -2 3 378.439 1.445 20 0 GDADHL O=C([O-])Cc1ccc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826461134 607933701 /nfs/dbraw/zinc/93/37/01/607933701.db2.gz HNKDFIDCGOSYLD-UHFFFAOYSA-N -2 3 385.405 1.245 20 0 GDADHL O=C([O-])Cc1ccc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826461134 607933702 /nfs/dbraw/zinc/93/37/02/607933702.db2.gz HNKDFIDCGOSYLD-UHFFFAOYSA-N -2 3 385.405 1.245 20 0 GDADHL O=S(=O)([N-][C@@H]1c2ccccc2C[C@H]1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488922 607971641 /nfs/dbraw/zinc/97/16/41/607971641.db2.gz CLXVVAPGZBUWGU-ZIAGYGMSSA-N -2 3 393.375 1.082 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc2ncccc2c1 ZINC000826449969 607988047 /nfs/dbraw/zinc/98/80/47/607988047.db2.gz QZZIQQNNVYIRTN-UHFFFAOYSA-N -2 3 394.416 1.675 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc2ncccc2c1 ZINC000826449969 607988048 /nfs/dbraw/zinc/98/80/48/607988048.db2.gz QZZIQQNNVYIRTN-UHFFFAOYSA-N -2 3 394.416 1.675 20 0 GDADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826402977 607991556 /nfs/dbraw/zinc/99/15/56/607991556.db2.gz HBCIXRUFGOCSAB-UTCJRWHESA-N -2 3 390.812 1.433 20 0 GDADHL O=C(C=Cc1cccnc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826402977 607991557 /nfs/dbraw/zinc/99/15/57/607991557.db2.gz HBCIXRUFGOCSAB-UTCJRWHESA-N -2 3 390.812 1.433 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=Cc1cncc(F)c1 ZINC000826279265 607992034 /nfs/dbraw/zinc/99/20/34/607992034.db2.gz LBBQKRDZLZWMCM-HYXAFXHYSA-N -2 3 388.384 1.228 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=Cc1cncc(F)c1 ZINC000826279265 607992035 /nfs/dbraw/zinc/99/20/35/607992035.db2.gz LBBQKRDZLZWMCM-HYXAFXHYSA-N -2 3 388.384 1.228 20 0 GDADHL CC(C)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC000824200360 608010313 /nfs/dbraw/zinc/01/03/13/608010313.db2.gz PFHBPDCNOIGMMK-SNVBAGLBSA-N -2 3 393.347 1.273 20 0 GDADHL Cc1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1-c1nnn[n-]1 ZINC000826303993 608011600 /nfs/dbraw/zinc/01/16/00/608011600.db2.gz QGBQERHOVKNIGI-CYBMUJFWSA-N -2 3 387.421 1.149 20 0 GDADHL Cc1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1-c1nn[n-]n1 ZINC000826303993 608011601 /nfs/dbraw/zinc/01/16/01/608011601.db2.gz QGBQERHOVKNIGI-CYBMUJFWSA-N -2 3 387.421 1.149 20 0 GDADHL CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccccc3-c3nn[n-]n3)cc21 ZINC000823980436 608107130 /nfs/dbraw/zinc/10/71/30/608107130.db2.gz CPGWLULEPZRBJN-UHFFFAOYSA-N -2 3 398.448 1.967 20 0 GDADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000825075268 608144549 /nfs/dbraw/zinc/14/45/49/608144549.db2.gz NYNFFCLXZUCBJS-NSHDSACASA-N -2 3 397.457 1.279 20 0 GDADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000825075268 608144550 /nfs/dbraw/zinc/14/45/50/608144550.db2.gz NYNFFCLXZUCBJS-NSHDSACASA-N -2 3 397.457 1.279 20 0 GDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000824744738 609258735 /nfs/dbraw/zinc/25/87/35/609258735.db2.gz FHPHRTVYQHUYAW-BLLLJJGKSA-N -2 3 393.403 1.845 20 0 GDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000824744738 609258737 /nfs/dbraw/zinc/25/87/37/609258737.db2.gz FHPHRTVYQHUYAW-BLLLJJGKSA-N -2 3 393.403 1.845 20 0 GDADHL CCOc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cn1 ZINC000825643563 609382839 /nfs/dbraw/zinc/38/28/39/609382839.db2.gz QNAMQQHGVGESRJ-UHFFFAOYSA-N -2 3 392.445 1.413 20 0 GDADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000825480633 609529506 /nfs/dbraw/zinc/52/95/06/609529506.db2.gz DPDIEAZLPWIJTF-UHFFFAOYSA-N -2 3 388.457 1.632 20 0 GDADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000547551468 650500988 /nfs/dbraw/zinc/50/09/88/650500988.db2.gz XYDGMJSWXQVWSY-GZMMTYOYSA-N -2 3 378.790 1.406 20 0 GDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)C(=O)[O-])sc1Br ZINC000547552591 650501102 /nfs/dbraw/zinc/50/11/02/650501102.db2.gz CSOWECKPRQGIKG-BDAKNGLRSA-N -2 3 398.300 1.977 20 0 GDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)[C@H]1CCOC1 ZINC000547556319 650502135 /nfs/dbraw/zinc/50/21/35/650502135.db2.gz MEGQFAVXQLOXRU-CPCISQLKSA-N -2 3 382.207 1.356 20 0 GDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)[C@@H]1CCOC1 ZINC000547556321 650502142 /nfs/dbraw/zinc/50/21/42/650502142.db2.gz MEGQFAVXQLOXRU-RDDDGLTNSA-N -2 3 382.207 1.356 20 0 GDADHL C[C@](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)(CC(=O)[O-])C(=O)[O-] ZINC000547613983 650509057 /nfs/dbraw/zinc/50/90/57/650509057.db2.gz CYVAKOCWHAACJQ-GFCCVEGCSA-N -3 3 387.307 1.688 20 0 GDADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000547903717 650520440 /nfs/dbraw/zinc/52/04/40/650520440.db2.gz IEUWZAPDGBYFOY-GXSJLCMTSA-N -2 3 384.223 1.481 20 0 GDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](CSCCc1ccccc1)C(=O)[O-] ZINC000547938302 650525651 /nfs/dbraw/zinc/52/56/51/650525651.db2.gz QHZHDMAXBJDHAD-CQSZACIVSA-N -2 3 384.479 1.999 20 0 GDADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000548266341 650541239 /nfs/dbraw/zinc/54/12/39/650541239.db2.gz VJKFBCPDLOUWNG-SNVBAGLBSA-N -2 3 382.207 1.689 20 0 GDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1OC ZINC000548530479 650548836 /nfs/dbraw/zinc/54/88/36/650548836.db2.gz NAUFOLRRFALHOA-NSHDSACASA-N -2 3 386.407 1.043 20 0 GDADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000564444583 650757892 /nfs/dbraw/zinc/75/78/92/650757892.db2.gz UPIITZUZROOKCB-RNCFNFMXSA-N -2 3 396.462 1.221 20 0 GDADHL O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000564838903 650769182 /nfs/dbraw/zinc/76/91/82/650769182.db2.gz VNHGVHWAHOXKGZ-JTQLQIEISA-N -2 3 376.843 1.577 20 0 GDADHL Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-][N-]C(=O)c1ccccc1F ZINC000055558628 644472869 /nfs/dbraw/zinc/47/28/69/644472869.db2.gz 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Cc1cc(F)cc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737264451 598843972 /nfs/dbraw/zinc/84/39/72/598843972.db2.gz RDABIOXAFMZEBU-UHFFFAOYSA-N -3 3 395.347 1.952 20 0 GDADHL O=S(=O)([N-]c1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341616 598845793 /nfs/dbraw/zinc/84/57/93/598845793.db2.gz GMNYVFJRRPBFJF-CYBMUJFWSA-N -2 3 388.409 1.230 20 0 GDADHL O=S(=O)([N-]c1ccc(O[C@@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341616 598845794 /nfs/dbraw/zinc/84/57/94/598845794.db2.gz GMNYVFJRRPBFJF-CYBMUJFWSA-N -2 3 388.409 1.230 20 0 GDADHL CCOC(=O)c1ncccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736605100 598908970 /nfs/dbraw/zinc/90/89/70/598908970.db2.gz CMRHDYRPYSLSMU-UHFFFAOYSA-N -2 3 392.372 1.378 20 0 GDADHL CCOC(=O)c1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736605100 598908971 /nfs/dbraw/zinc/90/89/71/598908971.db2.gz CMRHDYRPYSLSMU-UHFFFAOYSA-N -2 3 392.372 1.378 20 0 GDADHL O=S(=O)([N-]c1ccc(Br)cn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738346260 598910592 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/nfs/dbraw/zinc/41/47/85/598414785.db2.gz WAZVQTDDLLMPJQ-UHFFFAOYSA-N -2 3 381.801 1.849 20 0 GDADHL Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737415788 598415491 /nfs/dbraw/zinc/41/54/91/598415491.db2.gz UKWULTUPFHNLCP-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737415788 598415492 /nfs/dbraw/zinc/41/54/92/598415492.db2.gz UKWULTUPFHNLCP-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL O=C(Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737974258 598417003 /nfs/dbraw/zinc/41/70/03/598417003.db2.gz LAXBYONDHJUZNE-UHFFFAOYSA-N -2 3 395.803 1.707 20 0 GDADHL O=C(Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737974258 598417004 /nfs/dbraw/zinc/41/70/04/598417004.db2.gz LAXBYONDHJUZNE-UHFFFAOYSA-N -2 3 395.803 1.707 20 0 GDADHL O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738303764 598514014 /nfs/dbraw/zinc/51/40/14/598514014.db2.gz GQYCKQUVUPVEMW-UHFFFAOYSA-N -2 3 384.421 1.794 20 0 GDADHL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736941748 598627797 /nfs/dbraw/zinc/62/77/97/598627797.db2.gz UEAFUDIOLVJWMW-UHFFFAOYSA-N -2 3 396.816 1.744 20 0 GDADHL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736941748 598627796 /nfs/dbraw/zinc/62/77/96/598627796.db2.gz UEAFUDIOLVJWMW-UHFFFAOYSA-N -2 3 396.816 1.744 20 0 GDADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737013633 598638094 /nfs/dbraw/zinc/63/80/94/598638094.db2.gz BXESEUIOLCQPMD-UHFFFAOYSA-N -2 3 376.398 1.088 20 0 GDADHL O=S(=O)([N-]c1cccc(Br)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000738343297 598638316 /nfs/dbraw/zinc/63/83/16/598638316.db2.gz WMHUFBRMABCUOK-UHFFFAOYSA-N -2 3 381.215 1.825 20 0 GDADHL O=S(=O)([N-]c1cccc(Br)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000738343297 598638318 /nfs/dbraw/zinc/63/83/18/598638318.db2.gz WMHUFBRMABCUOK-UHFFFAOYSA-N -2 3 381.215 1.825 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCOc2ccccc21 ZINC000738139136 598642443 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O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1OC1CCC1 ZINC000738138669 599340505 /nfs/dbraw/zinc/34/05/05/599340505.db2.gz HSBKUGLCSNXWCO-UHFFFAOYSA-N -2 3 399.432 1.917 20 0 GDADHL O=C([O-])C[C@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000738211801 599457390 /nfs/dbraw/zinc/45/73/90/599457390.db2.gz UAKRIJOHUCHHBS-LBPRGKRZSA-N -2 3 385.405 1.634 20 0 GDADHL O=C([O-])C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000738211801 599457391 /nfs/dbraw/zinc/45/73/91/599457391.db2.gz UAKRIJOHUCHHBS-LBPRGKRZSA-N -2 3 385.405 1.634 20 0 GDADHL O=S(=O)([N-]c1ccccc1Oc1ncccc1-c1nnn[n-]1)c1c[nH]cn1 ZINC000738342191 599471135 /nfs/dbraw/zinc/47/11/35/599471135.db2.gz OKDYJTAOIOFHDM-UHFFFAOYSA-N -2 3 384.381 1.578 20 0 GDADHL CCOc1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c(C(N)=O)c1 ZINC000736647752 599559243 /nfs/dbraw/zinc/55/92/43/599559243.db2.gz SXDOYSXPYYAHTQ-UHFFFAOYSA-N -2 3 388.409 1.165 20 0 GDADHL CCOc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c(C(N)=O)c1 ZINC000736647752 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-2 3 387.343 1.801 20 0 GDADHL O=C(C=C1CCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000822917255 606748172 /nfs/dbraw/zinc/74/81/72/606748172.db2.gz REQYMVCXXGKQTI-UHFFFAOYSA-N -2 3 387.343 1.801 20 0 GDADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000821589717 606751325 /nfs/dbraw/zinc/75/13/25/606751325.db2.gz ZXQITEUDVVZTIQ-UHFFFAOYSA-N -2 3 382.837 1.120 20 0 GDADHL C[C@@H](OC1CCCCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820518872 606758405 /nfs/dbraw/zinc/75/84/05/606758405.db2.gz MMIIKRPCQRHRJI-GFCCVEGCSA-N -2 3 393.469 1.800 20 0 GDADHL C[C@@H](OC1CCCCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820518872 606758406 /nfs/dbraw/zinc/75/84/06/606758406.db2.gz MMIIKRPCQRHRJI-GFCCVEGCSA-N -2 3 393.469 1.800 20 0 GDADHL C[C@@H](Sc1ccccn1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820555394 606800037 /nfs/dbraw/zinc/80/00/37/606800037.db2.gz KVYHGQIMUYUOSC-SNVBAGLBSA-N -2 3 390.450 1.247 20 0 GDADHL C[C@@H](Sc1ccccn1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555394 606800039 /nfs/dbraw/zinc/80/00/39/606800039.db2.gz KVYHGQIMUYUOSC-SNVBAGLBSA-N -2 3 390.450 1.247 20 0 GDADHL O=C1Cc2cc([N-]S(=O)(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)ccc2N1 ZINC000823541816 606866689 /nfs/dbraw/zinc/86/66/89/606866689.db2.gz SIUSIGJVXMYPSM-UHFFFAOYSA-N -2 3 392.347 1.440 20 0 GDADHL O=C1Cc2cc([N-]S(=O)(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)ccc2N1 ZINC000823541816 606866691 /nfs/dbraw/zinc/86/66/91/606866691.db2.gz SIUSIGJVXMYPSM-UHFFFAOYSA-N -2 3 392.347 1.440 20 0 GDADHL CCc1nc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cs1 ZINC000821509481 606890553 /nfs/dbraw/zinc/89/05/53/606890553.db2.gz IKJHVARZHYNBHY-UHFFFAOYSA-N -2 3 386.409 1.642 20 0 GDADHL CC(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820046844 606892749 /nfs/dbraw/zinc/89/27/49/606892749.db2.gz VDDKBYRYGYCLFJ-NOZJJQNGSA-N -2 3 387.412 1.484 20 0 GDADHL Cc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822202400 607078464 /nfs/dbraw/zinc/07/84/64/607078464.db2.gz YMBYKFFNIXKFCI-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL Cc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822202400 607078466 /nfs/dbraw/zinc/07/84/66/607078466.db2.gz YMBYKFFNIXKFCI-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)o1 ZINC000821469680 607158130 /nfs/dbraw/zinc/15/81/30/607158130.db2.gz HYGFMFHOJVHLMZ-UHFFFAOYSA-N -2 3 375.410 1.758 20 0 GDADHL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)o1 ZINC000821469680 607158131 /nfs/dbraw/zinc/15/81/31/607158131.db2.gz HYGFMFHOJVHLMZ-UHFFFAOYSA-N -2 3 375.410 1.758 20 0 GDADHL CCC(CC)n1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820897536 607251113 /nfs/dbraw/zinc/25/11/13/607251113.db2.gz IWQITPXQPWIWKB-UHFFFAOYSA-N -2 3 389.441 1.543 20 0 GDADHL CCC(CC)n1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820897536 607251114 /nfs/dbraw/zinc/25/11/14/607251114.db2.gz IWQITPXQPWIWKB-UHFFFAOYSA-N -2 3 389.441 1.543 20 0 GDADHL O=C(C[C@H]1CSCCS1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826404714 607777576 /nfs/dbraw/zinc/77/75/76/607777576.db2.gz JPMGNTVEGVXLPY-LBPRGKRZSA-N -2 3 399.523 1.051 20 0 GDADHL O=C(C[C@H]1CSCCS1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826404714 607777577 /nfs/dbraw/zinc/77/75/77/607777577.db2.gz JPMGNTVEGVXLPY-LBPRGKRZSA-N -2 3 399.523 1.051 20 0 GDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826260720 607809483 /nfs/dbraw/zinc/80/94/83/607809483.db2.gz CAAVPBLVQOUFOH-UHFFFAOYSA-N -2 3 391.384 1.491 20 0 GDADHL O=C([O-])c1ccc(NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000826462462 607827567 /nfs/dbraw/zinc/82/75/67/607827567.db2.gz YXBUWBPAWLXRAV-UHFFFAOYSA-N -2 3 377.357 1.646 20 0 GDADHL O=C([O-])c1ccc(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000826462462 607827568 /nfs/dbraw/zinc/82/75/68/607827568.db2.gz YXBUWBPAWLXRAV-UHFFFAOYSA-N -2 3 377.357 1.646 20 0 GDADHL Cc1noc(C)c1[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826338518 607837078 /nfs/dbraw/zinc/83/70/78/607837078.db2.gz YHEQOTLTXQPGBL-VIFPVBQESA-N -2 3 390.425 1.470 20 0 GDADHL Cc1noc(C)c1[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826338518 607837079 /nfs/dbraw/zinc/83/70/79/607837079.db2.gz YHEQOTLTXQPGBL-VIFPVBQESA-N -2 3 390.425 1.470 20 0 GDADHL Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826396091 607846573 /nfs/dbraw/zinc/84/65/73/607846573.db2.gz GSKFMGXZLLWQSR-UHFFFAOYSA-N -2 3 386.224 1.952 20 0 GDADHL Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826396091 607846574 /nfs/dbraw/zinc/84/65/74/607846574.db2.gz GSKFMGXZLLWQSR-UHFFFAOYSA-N -2 3 386.224 1.952 20 0 GDADHL O=S(=O)([N-][C@H]1c2ccccc2C[C@H]1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488920 607971581 /nfs/dbraw/zinc/97/15/81/607971581.db2.gz CLXVVAPGZBUWGU-KGLIPLIRSA-N -2 3 393.375 1.082 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cnc2ccc(F)cc2c1 ZINC000826450652 607985866 /nfs/dbraw/zinc/98/58/66/607985866.db2.gz XAALRUOMRPGMRL-UHFFFAOYSA-N -2 3 398.379 1.673 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cnc2ccc(F)cc2c1 ZINC000826450652 607985867 /nfs/dbraw/zinc/98/58/67/607985867.db2.gz XAALRUOMRPGMRL-UHFFFAOYSA-N -2 3 398.379 1.673 20 0 GDADHL COC1CCC(CC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000826144794 607991897 /nfs/dbraw/zinc/99/18/97/607991897.db2.gz SKEJSPGUNIROSZ-UHFFFAOYSA-N -2 3 393.469 1.575 20 0 GDADHL COC1CCC(CC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000826144794 607991898 /nfs/dbraw/zinc/99/18/98/607991898.db2.gz SKEJSPGUNIROSZ-UHFFFAOYSA-N -2 3 393.469 1.575 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccncc1 ZINC000826279160 607992211 /nfs/dbraw/zinc/99/22/11/607992211.db2.gz HQJAJYCQULNIBY-LBPRGKRZSA-N -2 3 386.437 1.569 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccncc1 ZINC000826279160 607992212 /nfs/dbraw/zinc/99/22/12/607992212.db2.gz HQJAJYCQULNIBY-LBPRGKRZSA-N -2 3 386.437 1.569 20 0 GDADHL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824385432 608009823 /nfs/dbraw/zinc/00/98/23/608009823.db2.gz SVLKTDQYORSXNS-LURJTMIESA-N -2 3 379.320 1.027 20 0 GDADHL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824385432 608009824 /nfs/dbraw/zinc/00/98/24/608009824.db2.gz SVLKTDQYORSXNS-LURJTMIESA-N -2 3 379.320 1.027 20 0 GDADHL Cc1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1-c1nnn[n-]1 ZINC000826302540 608010214 /nfs/dbraw/zinc/01/02/14/608010214.db2.gz MFFAJUXDXGVCLH-CYBMUJFWSA-N -2 3 387.421 1.669 20 0 GDADHL Cc1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1-c1nn[n-]n1 ZINC000826302540 608010215 /nfs/dbraw/zinc/01/02/15/608010215.db2.gz MFFAJUXDXGVCLH-CYBMUJFWSA-N -2 3 387.421 1.669 20 0 GDADHL O=C([O-])CCCCCCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826461284 608010778 /nfs/dbraw/zinc/01/07/78/608010778.db2.gz NQNCFHPFODTEKB-UHFFFAOYSA-N -2 3 387.849 1.834 20 0 GDADHL O=C([O-])CCCCCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826461284 608010779 /nfs/dbraw/zinc/01/07/79/608010779.db2.gz NQNCFHPFODTEKB-UHFFFAOYSA-N -2 3 387.849 1.834 20 0 GDADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826461278 608011826 /nfs/dbraw/zinc/01/18/26/608011826.db2.gz NKTJFRLPHUHDBG-SNVBAGLBSA-N -2 3 391.331 1.123 20 0 GDADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826461278 608011827 /nfs/dbraw/zinc/01/18/27/608011827.db2.gz NKTJFRLPHUHDBG-SNVBAGLBSA-N -2 3 391.331 1.123 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1F ZINC000824045382 608179523 /nfs/dbraw/zinc/17/95/23/608179523.db2.gz LUWGBSKWQUVKMG-VIFPVBQESA-N -2 3 393.375 1.754 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1F ZINC000824045382 608179525 /nfs/dbraw/zinc/17/95/25/608179525.db2.gz LUWGBSKWQUVKMG-VIFPVBQESA-N -2 3 393.375 1.754 20 0 GDADHL O=C(CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)[N-]OCc1ccccc1 ZINC000826411213 608262392 /nfs/dbraw/zinc/26/23/92/608262392.db2.gz OZTVSJQYCYWTAX-SFHVURJKSA-N -2 3 394.435 1.488 20 0 GDADHL O=C(CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)[N-]OCc1ccccc1 ZINC000826411213 608262394 /nfs/dbraw/zinc/26/23/94/608262394.db2.gz OZTVSJQYCYWTAX-SFHVURJKSA-N -2 3 394.435 1.488 20 0 GDADHL O=C(CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)[N-]OCc1ccccc1 ZINC000826411212 608262524 /nfs/dbraw/zinc/26/25/24/608262524.db2.gz OZTVSJQYCYWTAX-GOSISDBHSA-N -2 3 394.435 1.488 20 0 GDADHL O=C(CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)[N-]OCc1ccccc1 ZINC000826411212 608262526 /nfs/dbraw/zinc/26/25/26/608262526.db2.gz OZTVSJQYCYWTAX-GOSISDBHSA-N -2 3 394.435 1.488 20 0 GDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000825577272 608324790 /nfs/dbraw/zinc/32/47/90/608324790.db2.gz UVJCYAHEAZFMGF-UHFFFAOYSA-N -2 3 394.438 1.609 20 0 GDADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826467852 608448731 /nfs/dbraw/zinc/44/87/31/608448731.db2.gz OPTRGPPWJSTPFJ-UHFFFAOYSA-N -2 3 393.363 1.626 20 0 GDADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826467852 608448733 /nfs/dbraw/zinc/44/87/33/608448733.db2.gz OPTRGPPWJSTPFJ-UHFFFAOYSA-N -2 3 393.363 1.626 20 0 GDADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1sccc1-c1nnn[n-]1 ZINC000825659400 608476374 /nfs/dbraw/zinc/47/63/74/608476374.db2.gz RVXHNSAPARJBPJ-UHFFFAOYSA-N -2 3 379.423 1.446 20 0 GDADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000825659400 608476375 /nfs/dbraw/zinc/47/63/75/608476375.db2.gz RVXHNSAPARJBPJ-UHFFFAOYSA-N -2 3 379.423 1.446 20 0 GDADHL CCn1[n-]c(-c2ccccc2)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000825464563 608493883 /nfs/dbraw/zinc/49/38/83/608493883.db2.gz DNLQQUOZGSSNJL-HNNXBMFYSA-N -2 3 375.392 1.688 20 0 GDADHL CCn1[n-]c(-c2ccccc2)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000825464563 608493885 /nfs/dbraw/zinc/49/38/85/608493885.db2.gz DNLQQUOZGSSNJL-HNNXBMFYSA-N -2 3 375.392 1.688 20 0 GDADHL O=C([O-])Cn1c(=O)c2ccccc2nc1C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826461211 608878066 /nfs/dbraw/zinc/87/80/66/608878066.db2.gz LGTYMFJSSFHJGC-SOFGYWHQSA-N -2 3 392.350 1.971 20 0 GDADHL O=C([O-])Cn1c(=O)c2ccccc2nc1C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826461211 608878067 /nfs/dbraw/zinc/87/80/67/608878067.db2.gz LGTYMFJSSFHJGC-SOFGYWHQSA-N -2 3 392.350 1.971 20 0 GDADHL CCC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825252805 609139238 /nfs/dbraw/zinc/13/92/38/609139238.db2.gz KEEXJCWUDBTWQB-STQMWFEESA-N -2 3 379.442 1.267 20 0 GDADHL CCC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825252805 609139239 /nfs/dbraw/zinc/13/92/39/609139239.db2.gz KEEXJCWUDBTWQB-STQMWFEESA-N -2 3 379.442 1.267 20 0 GDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000824744865 609258940 /nfs/dbraw/zinc/25/89/40/609258940.db2.gz HRQTUZKNKVTUQN-LBPRGKRZSA-N -2 3 393.403 1.917 20 0 GDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC000824744865 609258941 /nfs/dbraw/zinc/25/89/41/609258941.db2.gz 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O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(C(F)(F)F)nc1 ZINC000826492843 609457887 /nfs/dbraw/zinc/45/78/87/609457887.db2.gz HJMKTUFBUNXOKH-UHFFFAOYSA-N -2 3 377.333 1.538 20 0 GDADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1C(N)=O ZINC000826299386 609525935 /nfs/dbraw/zinc/52/59/35/609525935.db2.gz BVVDJKHJMXDKLK-UHFFFAOYSA-N -2 3 392.828 1.728 20 0 GDADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1C(N)=O ZINC000826299386 609525937 /nfs/dbraw/zinc/52/59/37/609525937.db2.gz BVVDJKHJMXDKLK-UHFFFAOYSA-N -2 3 392.828 1.728 20 0 GDADHL Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1C(F)F ZINC000826366632 609531316 /nfs/dbraw/zinc/53/13/16/609531316.db2.gz RDXLOQMDZLDAOO-UHFFFAOYSA-N -2 3 389.775 1.992 20 0 GDADHL Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1C(F)F ZINC000826366632 609531317 /nfs/dbraw/zinc/53/13/17/609531317.db2.gz RDXLOQMDZLDAOO-UHFFFAOYSA-N -2 3 389.775 1.992 20 0 GDADHL Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])c1 ZINC000547557479 650502271 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378.237 1.930 20 0 GDADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000548247746 650538658 /nfs/dbraw/zinc/53/86/58/650538658.db2.gz JHZVEHOOMBIMLQ-VIFPVBQESA-N -2 3 383.289 1.719 20 0 GDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)s1 ZINC000548992783 650567959 /nfs/dbraw/zinc/56/79/59/650567959.db2.gz NFWGYVZHMDWQHW-WRWORJQWSA-N -2 3 377.440 1.321 20 0 GDADHL CCc1ncc(S(=O)(=O)[N-][C@H](CC2CCCCC2)[C@@H](O)C(=O)[O-])s1 ZINC000549937348 650585896 /nfs/dbraw/zinc/58/58/96/650585896.db2.gz RVPVXVWUUXFWDV-BXUZGUMPSA-N -2 3 376.500 1.768 20 0 GDADHL Cc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3ccc(Cl)c(F)c3Cl)nc2n1 ZINC000551020534 650600143 /nfs/dbraw/zinc/60/01/43/650600143.db2.gz NSPBELWQDSZQRV-UHFFFAOYSA-N -2 3 392.199 1.973 20 0 GDADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)C(F)(F)F ZINC000556775440 650711234 /nfs/dbraw/zinc/71/12/34/650711234.db2.gz JKCABYJYAZDFEJ-SNVBAGLBSA-N -2 3 377.344 1.804 20 0 GDADHL CCc1nc(C[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)ccc1C(=O)[O-] ZINC000568003084 650931260 /nfs/dbraw/zinc/93/12/60/650931260.db2.gz WIFDPRCZQSUOOG-UHFFFAOYSA-N -2 3 384.439 1.236 20 0 GDADHL O=C([O-])[C@@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000570568409 651044833 /nfs/dbraw/zinc/04/48/33/651044833.db2.gz KDAKVYYLQZNPMT-CYBMUJFWSA-N -2 3 375.324 1.784 20 0 GDADHL CSc1nnc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)s1 ZINC000445551126 647269409 /nfs/dbraw/zinc/26/94/09/647269409.db2.gz PVDIHLPFDUCHDL-UHFFFAOYSA-N -2 3 389.480 1.510 20 0 GDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCOC1 ZINC000576410365 651661980 /nfs/dbraw/zinc/66/19/80/651661980.db2.gz KRFCRRDTKPVXFM-CPCISQLKSA-N -2 3 398.662 1.871 20 0 GDADHL Cc1nc(C[N-]S(=O)(=O)c2c(C(F)F)c(C)nn2C)sc1C(=O)[O-] ZINC000576447510 651664688 /nfs/dbraw/zinc/66/46/88/651664688.db2.gz NYHHNIUYNHVJMD-UHFFFAOYSA-N -2 3 380.398 1.608 20 0 GDADHL NC(=O)C[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000577255752 651719346 /nfs/dbraw/zinc/71/93/46/651719346.db2.gz 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3 393.252 1.731 20 0 GDADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-])c1 ZINC000843298383 655391911 /nfs/dbraw/zinc/39/19/11/655391911.db2.gz MPVVOQUVPPSJQN-SECBINFHSA-N -2 3 379.431 1.345 20 0 GDADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2cc(C)sc2C)c1 ZINC000819966350 655400532 /nfs/dbraw/zinc/40/05/32/655400532.db2.gz QNGXBDDDUREMCQ-QHCPKHFHSA-N -2 3 387.504 1.986 20 0 GDADHL CC(C)(C)C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000821248397 655424955 /nfs/dbraw/zinc/42/49/55/655424955.db2.gz LDDMAHOQVZHACK-WCBMZHEXSA-N -2 3 384.376 1.629 20 0 GDADHL COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000821668929 655433246 /nfs/dbraw/zinc/43/32/46/655433246.db2.gz QFJVCULRVKEGQO-UHFFFAOYSA-N -2 3 380.411 1.219 20 0 GDADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000824867359 655481457 /nfs/dbraw/zinc/48/14/57/655481457.db2.gz PLBNTTIWKHAANC-DTWKUNHWSA-N -2 3 385.833 1.140 20 0 GDADHL 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ZINC000834030598 605847484 /nfs/dbraw/zinc/84/74/84/605847484.db2.gz RZJIGPPTVVNJBK-IUODEOHRSA-N -2 3 391.424 1.209 20 0 GDADHL O=S(=O)([N-]c1ccn(CC(F)F)n1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823589057 606396116 /nfs/dbraw/zinc/39/61/16/606396116.db2.gz KIFYMPFZPLLOGJ-UHFFFAOYSA-N -2 3 389.775 1.783 20 0 GDADHL O=S(=O)([N-]c1ccn(CC(F)F)n1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823589057 606396117 /nfs/dbraw/zinc/39/61/17/606396117.db2.gz KIFYMPFZPLLOGJ-UHFFFAOYSA-N -2 3 389.775 1.783 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c(F)cc1F ZINC000822177316 606397117 /nfs/dbraw/zinc/39/71/17/606397117.db2.gz XIWLNAGBIWQCEG-UHFFFAOYSA-N -2 3 393.375 1.880 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c(F)cc1F ZINC000822177316 606397119 /nfs/dbraw/zinc/39/71/19/606397119.db2.gz XIWLNAGBIWQCEG-UHFFFAOYSA-N -2 3 393.375 1.880 20 0 GDADHL Cc1cnc([N-]S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)o1 ZINC000822399878 606637189 /nfs/dbraw/zinc/63/71/89/606637189.db2.gz ONOOMGZZMQWGQS-UHFFFAOYSA-N -2 3 385.203 1.726 20 0 GDADHL Cc1cnc([N-]S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)o1 ZINC000822399878 606637190 /nfs/dbraw/zinc/63/71/90/606637190.db2.gz ONOOMGZZMQWGQS-UHFFFAOYSA-N -2 3 385.203 1.726 20 0 GDADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)n1 ZINC000822620514 606711210 /nfs/dbraw/zinc/71/12/10/606711210.db2.gz UQLVHPFLGKDSIP-UHFFFAOYSA-N -2 3 388.240 1.849 20 0 GDADHL CC(C)C[C@H](C)OCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000820055643 606745982 /nfs/dbraw/zinc/74/59/82/606745982.db2.gz IZGSIDDPSNJYBQ-ZDUSSCGKSA-N -2 3 395.485 1.654 20 0 GDADHL CC(C)C[C@H](C)OCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000820055643 606745983 /nfs/dbraw/zinc/74/59/83/606745983.db2.gz IZGSIDDPSNJYBQ-ZDUSSCGKSA-N -2 3 395.485 1.654 20 0 GDADHL O=C(CCSc1ccccn1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822974507 606746562 /nfs/dbraw/zinc/74/65/62/606746562.db2.gz PSGVNYSMFDPYMW-UHFFFAOYSA-N -2 3 390.450 1.249 20 0 GDADHL O=C(CCSc1ccccn1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822974507 606746564 /nfs/dbraw/zinc/74/65/64/606746564.db2.gz PSGVNYSMFDPYMW-UHFFFAOYSA-N -2 3 390.450 1.249 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1=CCCC1 ZINC000823284897 606759605 /nfs/dbraw/zinc/75/96/05/606759605.db2.gz LYIKZOWYFMKIKR-UHFFFAOYSA-N -2 3 387.343 1.801 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1=CCCC1 ZINC000823284897 606759606 /nfs/dbraw/zinc/75/96/06/606759606.db2.gz LYIKZOWYFMKIKR-UHFFFAOYSA-N -2 3 387.343 1.801 20 0 GDADHL O=S(=O)([N-]c1cnc(C2CC2)nc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823588980 606866754 /nfs/dbraw/zinc/86/67/54/606866754.db2.gz GMEUOPVPXNYCHV-UHFFFAOYSA-N -2 3 379.352 1.613 20 0 GDADHL O=S(=O)([N-]c1cnc(C2CC2)nc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823588980 606866757 /nfs/dbraw/zinc/86/67/57/606866757.db2.gz GMEUOPVPXNYCHV-UHFFFAOYSA-N -2 3 379.352 1.613 20 0 GDADHL COC[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000821683880 606888243 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3 385.833 1.396 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1scnc1C1CC1 ZINC000826449979 608039214 /nfs/dbraw/zinc/03/92/14/608039214.db2.gz RMSJHNVQOMUMEN-UHFFFAOYSA-N -2 3 390.450 1.460 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1scnc1C1CC1 ZINC000826449979 608039215 /nfs/dbraw/zinc/03/92/15/608039215.db2.gz RMSJHNVQOMUMEN-UHFFFAOYSA-N -2 3 390.450 1.460 20 0 GDADHL O=S(=O)(Cc1ccccc1)[N-]c1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826486544 608100763 /nfs/dbraw/zinc/10/07/63/608100763.db2.gz GOXAJJCWKSSSOO-UHFFFAOYSA-N -2 3 396.436 1.448 20 0 GDADHL O=S(=O)(Cc1ccccc1)[N-]c1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826486544 608100764 /nfs/dbraw/zinc/10/07/64/608100764.db2.gz GOXAJJCWKSSSOO-UHFFFAOYSA-N -2 3 396.436 1.448 20 0 GDADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1c(Cl)nc2ccccn21 ZINC000826492861 608107221 /nfs/dbraw/zinc/10/72/21/608107221.db2.gz IOJLZRQLKKLLKV-UHFFFAOYSA-N -2 3 375.801 1.969 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cccnc1C1CC1 ZINC000826449707 608141482 /nfs/dbraw/zinc/14/14/82/608141482.db2.gz GJXJGFQXHKEWJV-UHFFFAOYSA-N -2 3 384.421 1.399 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1cccnc1C1CC1 ZINC000826449707 608141483 /nfs/dbraw/zinc/14/14/83/608141483.db2.gz GJXJGFQXHKEWJV-UHFFFAOYSA-N -2 3 384.421 1.399 20 0 GDADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825075516 608144817 /nfs/dbraw/zinc/14/48/17/608144817.db2.gz OYHYFUVBUFBCAH-NSHDSACASA-N -2 3 389.441 1.219 20 0 GDADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825075516 608144818 /nfs/dbraw/zinc/14/48/18/608144818.db2.gz OYHYFUVBUFBCAH-NSHDSACASA-N -2 3 389.441 1.219 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000824046853 608179258 /nfs/dbraw/zinc/17/92/58/608179258.db2.gz WEFYAHNFAIKCFY-SECBINFHSA-N -2 3 393.375 1.754 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000824046853 608179260 /nfs/dbraw/zinc/17/92/60/608179260.db2.gz WEFYAHNFAIKCFY-SECBINFHSA-N -2 3 393.375 1.754 20 0 GDADHL CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824333135 608333941 /nfs/dbraw/zinc/33/39/41/608333941.db2.gz FIKCLBOLEBZFNQ-UHFFFAOYSA-N -2 3 387.421 1.773 20 0 GDADHL CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824333135 608333943 /nfs/dbraw/zinc/33/39/43/608333943.db2.gz FIKCLBOLEBZFNQ-UHFFFAOYSA-N -2 3 387.421 1.773 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C(=O)COc2cccc(-c3nnn[n-]3)c2)sc1C ZINC000826272611 608476447 /nfs/dbraw/zinc/47/64/47/608476447.db2.gz SHENRMJMCHINOI-UHFFFAOYSA-N -2 3 393.450 1.429 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C(=O)COc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000826272611 608476448 /nfs/dbraw/zinc/47/64/48/608476448.db2.gz SHENRMJMCHINOI-UHFFFAOYSA-N -2 3 393.450 1.429 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)sc1C ZINC000826249400 608476486 /nfs/dbraw/zinc/47/64/86/608476486.db2.gz ASUWAHMFTJGEIY-UHFFFAOYSA-N -2 3 377.451 1.972 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)sc1C ZINC000826249400 608476487 /nfs/dbraw/zinc/47/64/87/608476487.db2.gz ASUWAHMFTJGEIY-UHFFFAOYSA-N -2 3 377.451 1.972 20 0 GDADHL CCOc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000825631836 608490353 /nfs/dbraw/zinc/49/03/53/608490353.db2.gz GTDDGAAXQKXWPA-UHFFFAOYSA-N -2 3 377.430 1.591 20 0 GDADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000825631836 608490355 /nfs/dbraw/zinc/49/03/55/608490355.db2.gz GTDDGAAXQKXWPA-UHFFFAOYSA-N -2 3 377.430 1.591 20 0 GDADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000825481044 608491726 /nfs/dbraw/zinc/49/17/26/608491726.db2.gz SHVTYJPEMBMQFJ-UHFFFAOYSA-N -2 3 376.446 1.624 20 0 GDADHL CC(C)(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccncc1 ZINC000824157834 608561771 /nfs/dbraw/zinc/56/17/71/608561771.db2.gz OISMJHZLWWWPID-UHFFFAOYSA-N -2 3 394.407 1.796 20 0 GDADHL C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824689565 608566347 /nfs/dbraw/zinc/56/63/47/608566347.db2.gz MQSSUTBMVKDVBW-MRVPVSSYSA-N -2 3 375.401 1.220 20 0 GDADHL Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C(C)(C)C)n1 ZINC000826359006 608618646 /nfs/dbraw/zinc/61/86/46/608618646.db2.gz RKXAHMXSPCBASG-UHFFFAOYSA-N -2 3 389.441 1.016 20 0 GDADHL Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C(C)(C)C)n1 ZINC000826359006 608618647 /nfs/dbraw/zinc/61/86/47/608618647.db2.gz RKXAHMXSPCBASG-UHFFFAOYSA-N -2 3 389.441 1.016 20 0 GDADHL Cc1nc2ccccc2n1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826329188 609139796 /nfs/dbraw/zinc/13/97/96/609139796.db2.gz SSFYEBIMUHTYGV-UHFFFAOYSA-N -2 3 397.420 1.030 20 0 GDADHL Cc1nc2ccccc2n1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826329188 609139797 /nfs/dbraw/zinc/13/97/97/609139797.db2.gz SSFYEBIMUHTYGV-UHFFFAOYSA-N -2 3 397.420 1.030 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260473 609142976 /nfs/dbraw/zinc/14/29/76/609142976.db2.gz PPMKJDZKDXQPHB-UHFFFAOYSA-N -2 3 389.441 1.076 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)CC(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260473 609142978 /nfs/dbraw/zinc/14/29/78/609142978.db2.gz PPMKJDZKDXQPHB-UHFFFAOYSA-N -2 3 389.441 1.076 20 0 GDADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825991845 609190236 /nfs/dbraw/zinc/19/02/36/609190236.db2.gz JFXIGFJFVLBGOT-ZDUSSCGKSA-N -2 3 397.420 1.269 20 0 GDADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825991845 609190237 /nfs/dbraw/zinc/19/02/37/609190237.db2.gz JFXIGFJFVLBGOT-ZDUSSCGKSA-N -2 3 397.420 1.269 20 0 GDADHL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825108342 609257117 /nfs/dbraw/zinc/25/71/17/609257117.db2.gz WAOJDWBDHFKPON-OAHLLOKOSA-N -2 3 392.485 1.470 20 0 GDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000824744739 609258576 /nfs/dbraw/zinc/25/85/76/609258576.db2.gz FHPHRTVYQHUYAW-LRDDRELGSA-N -2 3 393.403 1.845 20 0 GDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000824744739 609258577 /nfs/dbraw/zinc/25/85/77/609258577.db2.gz FHPHRTVYQHUYAW-LRDDRELGSA-N -2 3 393.403 1.845 20 0 GDADHL O=S(=O)(C[C@H]1CCCO1)[N-]c1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826484817 609274736 /nfs/dbraw/zinc/27/47/36/609274736.db2.gz QDBFRAAEFQNOEN-SNVBAGLBSA-N -2 3 393.404 1.112 20 0 GDADHL O=S(=O)(C[C@H]1CCCO1)[N-]c1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826484817 609274737 /nfs/dbraw/zinc/27/47/37/609274737.db2.gz QDBFRAAEFQNOEN-SNVBAGLBSA-N -2 3 393.404 1.112 20 0 GDADHL CC[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825183255 609399376 /nfs/dbraw/zinc/39/93/76/609399376.db2.gz OAKMHJSLIPNVMC-UKRRQHHQSA-N -2 3 393.469 1.408 20 0 GDADHL CC[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825183255 609399379 /nfs/dbraw/zinc/39/93/79/609399379.db2.gz OAKMHJSLIPNVMC-UKRRQHHQSA-N -2 3 393.469 1.408 20 0 GDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000825775986 609448671 /nfs/dbraw/zinc/44/86/71/609448671.db2.gz BWLRSXKYOKHABQ-UHFFFAOYSA-N -2 3 378.370 1.005 20 0 GDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000825775986 609448673 /nfs/dbraw/zinc/44/86/73/609448673.db2.gz BWLRSXKYOKHABQ-UHFFFAOYSA-N -2 3 378.370 1.005 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)ccc1C(N)=O ZINC000826271432 609528119 /nfs/dbraw/zinc/52/81/19/609528119.db2.gz RBIYMJUIQMTRBJ-UHFFFAOYSA-N -2 3 392.828 1.728 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)ccc1C(N)=O ZINC000826271432 609528122 /nfs/dbraw/zinc/52/81/22/609528122.db2.gz RBIYMJUIQMTRBJ-UHFFFAOYSA-N -2 3 392.828 1.728 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1Cl)c1cn2c(n1)CCCC2 ZINC000826492304 609531007 /nfs/dbraw/zinc/53/10/07/609531007.db2.gz BYZLVVXHLNDOAN-UHFFFAOYSA-N -2 3 379.833 1.854 20 0 GDADHL CSc1c[nH]nc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000543691238 650428497 /nfs/dbraw/zinc/42/84/97/650428497.db2.gz PAPMMPQTTMCYBC-UHFFFAOYSA-N 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/nfs/dbraw/zinc/30/28/55/532302855.db2.gz ZNTYKHYSYSYDIG-UHFFFAOYSA-N -2 3 388.446 1.109 20 0 GDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)c1ccccc1 ZINC000030834271 570497428 /nfs/dbraw/zinc/49/74/28/570497428.db2.gz GQYATNMCRZIKQH-OAHLLOKOSA-N -2 3 396.808 1.775 20 0 GDADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736878712 598841343 /nfs/dbraw/zinc/84/13/43/598841343.db2.gz XFCHMPGQGWBCRA-UHFFFAOYSA-N -2 3 376.373 1.166 20 0 GDADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736878712 598841345 /nfs/dbraw/zinc/84/13/45/598841345.db2.gz XFCHMPGQGWBCRA-UHFFFAOYSA-N -2 3 376.373 1.166 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(OC)c1 ZINC000737106503 598841530 /nfs/dbraw/zinc/84/15/30/598841530.db2.gz UVNNQNHZOKLBAW-UHFFFAOYSA-N -2 3 379.373 1.824 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(OC)c1 ZINC000737106503 598841531 /nfs/dbraw/zinc/84/15/31/598841531.db2.gz UVNNQNHZOKLBAW-UHFFFAOYSA-N -2 3 379.373 1.824 20 0 GDADHL CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736867760 598843287 /nfs/dbraw/zinc/84/32/87/598843287.db2.gz NPPUARWCIKVAKC-UHFFFAOYSA-N -2 3 388.428 1.795 20 0 GDADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737013616 598843493 /nfs/dbraw/zinc/84/34/93/598843493.db2.gz BGPNZKSDRZDBIR-UHFFFAOYSA-N -2 3 393.400 1.832 20 0 GDADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737013616 598843495 /nfs/dbraw/zinc/84/34/95/598843495.db2.gz BGPNZKSDRZDBIR-UHFFFAOYSA-N -2 3 393.400 1.832 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnccc1-n1cccn1 ZINC000737301432 598968884 /nfs/dbraw/zinc/96/88/84/598968884.db2.gz MYTODVJKIIILGG-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736653576 598973950 /nfs/dbraw/zinc/97/39/50/598973950.db2.gz CPCWCRGRTOHCBD-UHFFFAOYSA-N -2 3 387.421 1.693 20 0 GDADHL CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736653576 598973951 /nfs/dbraw/zinc/97/39/51/598973951.db2.gz CPCWCRGRTOHCBD-UHFFFAOYSA-N -2 3 387.421 1.693 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1(C(F)(F)F)CC1 ZINC000737297972 598975043 /nfs/dbraw/zinc/97/50/43/598975043.db2.gz HOFOWEWOLKHWFN-UHFFFAOYSA-N -2 3 375.332 1.323 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1(C(F)(F)F)CC1 ZINC000737297972 598975045 /nfs/dbraw/zinc/97/50/45/598975045.db2.gz HOFOWEWOLKHWFN-UHFFFAOYSA-N -2 3 375.332 1.323 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1(c2ccccc2)CC1 ZINC000737299557 598975216 /nfs/dbraw/zinc/97/52/16/598975216.db2.gz RUECLOOZRXEFOB-UHFFFAOYSA-N -2 3 383.433 1.712 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1(c2ccccc2)CC1 ZINC000737299557 598975217 /nfs/dbraw/zinc/97/52/17/598975217.db2.gz RUECLOOZRXEFOB-UHFFFAOYSA-N -2 3 383.433 1.712 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC[C@@H]1CCCCO1 ZINC000737300072 598976862 /nfs/dbraw/zinc/97/68/62/598976862.db2.gz WAQOLKHKFDYMKY-ZDUSSCGKSA-N -2 3 379.442 1.329 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC[C@@H]1CCCCO1 ZINC000737300072 598976863 /nfs/dbraw/zinc/97/68/63/598976863.db2.gz WAQOLKHKFDYMKY-ZDUSSCGKSA-N -2 3 379.442 1.329 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccccc1F ZINC000737299481 598977983 /nfs/dbraw/zinc/97/79/83/598977983.db2.gz QFTGMDFBUWKTTL-NSHDSACASA-N -2 3 389.412 1.923 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccccc1F ZINC000737299481 598977985 /nfs/dbraw/zinc/97/79/85/598977985.db2.gz QFTGMDFBUWKTTL-NSHDSACASA-N -2 3 389.412 1.923 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1sccc1-c1nnn[n-]1 ZINC000738140844 599025945 /nfs/dbraw/zinc/02/59/45/599025945.db2.gz XKZGAGZWIVNDMM-UHFFFAOYSA-N -2 3 375.844 1.762 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1sccc1-c1nn[n-]n1 ZINC000738140844 599025946 /nfs/dbraw/zinc/02/59/46/599025946.db2.gz XKZGAGZWIVNDMM-UHFFFAOYSA-N -2 3 375.844 1.762 20 0 GDADHL O=C(C[C@@H]1CCc2ccccc21)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737817486 599150638 /nfs/dbraw/zinc/15/06/38/599150638.db2.gz AJZNQNTYXSOVLL-AWEZNQCLSA-N -2 3 397.460 1.933 20 0 GDADHL O=C(C[C@@H]1CCc2ccccc21)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737817486 599150640 /nfs/dbraw/zinc/15/06/40/599150640.db2.gz AJZNQNTYXSOVLL-AWEZNQCLSA-N -2 3 397.460 1.933 20 0 GDADHL Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000737546238 599190758 /nfs/dbraw/zinc/19/07/58/599190758.db2.gz BNXOYNREJGSAJF-UHFFFAOYSA-N -2 3 399.392 1.073 20 0 GDADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)n1cccc1 ZINC000735977880 599220235 /nfs/dbraw/zinc/22/02/35/599220235.db2.gz WMNGEHDILWUGGA-SNVBAGLBSA-N -2 3 394.844 1.778 20 0 GDADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)n1cccc1 ZINC000735977880 599220236 /nfs/dbraw/zinc/22/02/36/599220236.db2.gz WMNGEHDILWUGGA-SNVBAGLBSA-N -2 3 394.844 1.778 20 0 GDADHL O=C([O-])[C@@H]1CC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)=NN1c1ccccc1 ZINC000740469120 596966370 /nfs/dbraw/zinc/96/63/70/596966370.db2.gz JXYTUNJJMSOVFL-HNNXBMFYSA-N -2 3 377.364 1.525 20 0 GDADHL O=C([O-])[C@@H]1CC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)=NN1c1ccccc1 ZINC000740469120 596966371 /nfs/dbraw/zinc/96/63/71/596966371.db2.gz JXYTUNJJMSOVFL-HNNXBMFYSA-N -2 3 377.364 1.525 20 0 GDADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC(=O)[O-])ccc2C)cc1 ZINC000427301322 597023708 /nfs/dbraw/zinc/02/37/08/597023708.db2.gz IXIUWKQTJUKBLM-UHFFFAOYSA-N -2 3 378.406 1.619 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CSCC(=O)[O-] ZINC000571329603 597100088 /nfs/dbraw/zinc/10/00/88/597100088.db2.gz BZRLXFIHWLMEMT-UHFFFAOYSA-N -2 3 386.373 1.833 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)c1C ZINC000737111042 599244996 /nfs/dbraw/zinc/24/49/96/599244996.db2.gz HWIVWKIOWMRLFN-UHFFFAOYSA-N -2 3 387.421 1.611 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)c1C ZINC000737111042 599244997 /nfs/dbraw/zinc/24/49/97/599244997.db2.gz HWIVWKIOWMRLFN-UHFFFAOYSA-N -2 3 387.421 1.611 20 0 GDADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000824024796 607779289 /nfs/dbraw/zinc/77/92/89/607779289.db2.gz PWUOPXMDGVIDCT-UHFFFAOYSA-N -2 3 394.800 1.170 20 0 GDADHL O=S(=O)([N-]c1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345430 599286400 /nfs/dbraw/zinc/28/64/00/599286400.db2.gz MEGDABQSEXOOHS-UHFFFAOYSA-N -2 3 386.372 1.387 20 0 GDADHL O=S(=O)([N-]c1ccc(-n2ccnc2)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345430 599286403 /nfs/dbraw/zinc/28/64/03/599286403.db2.gz MEGDABQSEXOOHS-UHFFFAOYSA-N -2 3 386.372 1.387 20 0 GDADHL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)s1 ZINC000679292730 598449844 /nfs/dbraw/zinc/44/98/44/598449844.db2.gz VQGJIXQUVHTCFJ-UHFFFAOYSA-N -2 3 379.427 1.391 20 0 GDADHL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)s1 ZINC000679292730 598449845 /nfs/dbraw/zinc/44/98/45/598449845.db2.gz VQGJIXQUVHTCFJ-UHFFFAOYSA-N -2 3 379.427 1.391 20 0 GDADHL COC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736957015 598485371 /nfs/dbraw/zinc/48/53/71/598485371.db2.gz MPHRDNHIFMYVTM-UHFFFAOYSA-N -2 3 393.347 1.115 20 0 GDADHL COC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736957015 598485372 /nfs/dbraw/zinc/48/53/72/598485372.db2.gz MPHRDNHIFMYVTM-UHFFFAOYSA-N -2 3 393.347 1.115 20 0 GDADHL O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000737941413 598659062 /nfs/dbraw/zinc/65/90/62/598659062.db2.gz NBMSMGXAJFBOJL-UHFFFAOYSA-N -2 3 395.404 1.941 20 0 GDADHL O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000737941413 598659063 /nfs/dbraw/zinc/65/90/63/598659063.db2.gz NBMSMGXAJFBOJL-UHFFFAOYSA-N -2 3 395.404 1.941 20 0 GDADHL C[C@@H]1CCC[C@@H](OCC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736264745 598802080 /nfs/dbraw/zinc/80/20/80/598802080.db2.gz XTMANQQPZLCFEX-IUODEOHRSA-N -2 3 393.469 1.408 20 0 GDADHL C[C@@H]1CCC[C@@H](OCC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736264745 598802082 /nfs/dbraw/zinc/80/20/82/598802082.db2.gz XTMANQQPZLCFEX-IUODEOHRSA-N -2 3 393.469 1.408 20 0 GDADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cnc(Cl)n2C)cc1-c1nnn[n-]1 ZINC000820178340 607375164 /nfs/dbraw/zinc/37/51/64/607375164.db2.gz NMCGYBRFLSNTOV-UHFFFAOYSA-N -2 3 397.848 1.842 20 0 GDADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cnc(Cl)n2C)cc1-c1nn[n-]n1 ZINC000820178340 607375165 /nfs/dbraw/zinc/37/51/65/607375165.db2.gz NMCGYBRFLSNTOV-UHFFFAOYSA-N -2 3 397.848 1.842 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000735550785 599616932 /nfs/dbraw/zinc/61/69/32/599616932.db2.gz LGLDFSIRTMOULB-SNVBAGLBSA-N -2 3 377.451 1.678 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000735550785 599616934 /nfs/dbraw/zinc/61/69/34/599616934.db2.gz LGLDFSIRTMOULB-SNVBAGLBSA-N -2 3 377.451 1.678 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cccc(F)c1Cl ZINC000823285610 599620169 /nfs/dbraw/zinc/62/01/69/599620169.db2.gz XJJUXCFJEPLDNO-UHFFFAOYSA-N -2 3 395.803 1.919 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Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000822645554 606407722 /nfs/dbraw/zinc/40/77/22/606407722.db2.gz DFPZZGCTFHOCSI-UHFFFAOYSA-N -2 3 384.780 1.116 20 0 GDADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000822645554 606407724 /nfs/dbraw/zinc/40/77/24/606407724.db2.gz DFPZZGCTFHOCSI-UHFFFAOYSA-N -2 3 384.780 1.116 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1O ZINC000823392388 606624221 /nfs/dbraw/zinc/62/42/21/606624221.db2.gz PEYHFHDOSBATBJ-UHFFFAOYSA-N -3 3 395.784 1.725 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1O ZINC000823392388 606624222 /nfs/dbraw/zinc/62/42/22/606624222.db2.gz PEYHFHDOSBATBJ-UHFFFAOYSA-N -3 3 395.784 1.725 20 0 GDADHL CC(C)C[C@@H](C)OCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820055286 606746159 /nfs/dbraw/zinc/74/61/59/606746159.db2.gz HQLBYPSTTNWNDN-CYBMUJFWSA-N -2 3 395.485 1.654 20 0 GDADHL CC(C)C[C@@H](C)OCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820055286 606746161 /nfs/dbraw/zinc/74/61/61/606746161.db2.gz HQLBYPSTTNWNDN-CYBMUJFWSA-N -2 3 395.485 1.654 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000822222639 606749291 /nfs/dbraw/zinc/74/92/91/606749291.db2.gz ONTXJKDCDOWEPO-JKSUJKDBSA-N -2 3 397.460 1.859 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000822222639 606749293 /nfs/dbraw/zinc/74/92/93/606749293.db2.gz ONTXJKDCDOWEPO-JKSUJKDBSA-N -2 3 397.460 1.859 20 0 GDADHL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)cc1F ZINC000822203357 606766875 /nfs/dbraw/zinc/76/68/75/606766875.db2.gz PULRPRIFKKSHQC-UHFFFAOYSA-N -2 3 385.377 1.634 20 0 GDADHL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)cc1F ZINC000822203357 606766877 /nfs/dbraw/zinc/76/68/77/606766877.db2.gz PULRPRIFKKSHQC-UHFFFAOYSA-N -2 3 385.377 1.634 20 0 GDADHL Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822522750 606892825 /nfs/dbraw/zinc/89/28/25/606892825.db2.gz LZLVOUCFKGFZOF-ZETCQYMHSA-N -2 3 398.395 1.659 20 0 GDADHL COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821672440 606894327 /nfs/dbraw/zinc/89/43/27/606894327.db2.gz KPTWPVSUWGKDNE-QMMMGPOBSA-N -2 3 375.401 1.627 20 0 GDADHL CC(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820046858 606894763 /nfs/dbraw/zinc/89/47/63/606894763.db2.gz VDDKBYRYGYCLFJ-TVQRCGJNSA-N -2 3 387.412 1.484 20 0 GDADHL Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000822388799 606896401 /nfs/dbraw/zinc/89/64/01/606896401.db2.gz BFUIJAOMDJHGTE-SSDOTTSWSA-N -2 3 386.409 1.949 20 0 GDADHL O=S(=O)([N-]c1ccc(Br)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823588977 606981004 /nfs/dbraw/zinc/98/10/04/606981004.db2.gz GHKHPZYGAKDKHP-UHFFFAOYSA-N -2 3 399.205 1.964 20 0 GDADHL O=S(=O)([N-]c1ccc(Br)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823588977 606981005 /nfs/dbraw/zinc/98/10/05/606981005.db2.gz GHKHPZYGAKDKHP-UHFFFAOYSA-N -2 3 399.205 1.964 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cncc(F)c1 ZINC000823285277 607097684 /nfs/dbraw/zinc/09/76/84/607097684.db2.gz OXZFNWJIHBYAMR-UHFFFAOYSA-N -2 3 382.764 1.173 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cncc(F)c1 ZINC000823285277 607097685 /nfs/dbraw/zinc/09/76/85/607097685.db2.gz OXZFNWJIHBYAMR-UHFFFAOYSA-N -2 3 382.764 1.173 20 0 GDADHL O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572839 607146521 /nfs/dbraw/zinc/14/65/21/607146521.db2.gz NRMMXWKCDGWMFH-SNVBAGLBSA-N -2 3 385.396 1.525 20 0 GDADHL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821470189 607156916 /nfs/dbraw/zinc/15/69/16/607156916.db2.gz NGFMTPVUXXVGAX-UHFFFAOYSA-N -2 3 375.410 1.590 20 0 GDADHL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821470189 607156918 /nfs/dbraw/zinc/15/69/18/607156918.db2.gz NGFMTPVUXXVGAX-UHFFFAOYSA-N -2 3 375.410 1.590 20 0 GDADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000824024796 607779288 /nfs/dbraw/zinc/77/92/88/607779288.db2.gz PWUOPXMDGVIDCT-UHFFFAOYSA-N -2 3 394.800 1.170 20 0 GDADHL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cccc1-c1nn[n-]n1 ZINC000826242735 607933279 /nfs/dbraw/zinc/93/32/79/607933279.db2.gz CPASLWUCDZNPHE-UHFFFAOYSA-N -3 3 395.347 1.952 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2ncccc2c1 ZINC000826450191 607985878 /nfs/dbraw/zinc/98/58/78/607985878.db2.gz AKUKYYYQNCGGBQ-UHFFFAOYSA-N -2 3 380.389 1.534 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc2ncccc2c1 ZINC000826450191 607985879 /nfs/dbraw/zinc/98/58/79/607985879.db2.gz AKUKYYYQNCGGBQ-UHFFFAOYSA-N -2 3 380.389 1.534 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CCC(F)(F)CC1 ZINC000826449830 607987958 /nfs/dbraw/zinc/98/79/58/607987958.db2.gz LDXHRGXPGIHNJG-UHFFFAOYSA-N -2 3 385.396 1.638 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CCC(F)(F)CC1 ZINC000826449830 607987959 /nfs/dbraw/zinc/98/79/59/607987959.db2.gz LDXHRGXPGIHNJG-UHFFFAOYSA-N -2 3 385.396 1.638 20 0 GDADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824385433 608009746 /nfs/dbraw/zinc/00/97/46/608009746.db2.gz SVLKTDQYORSXNS-ZCFIWIBFSA-N -2 3 379.320 1.027 20 0 GDADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824385433 608009747 /nfs/dbraw/zinc/00/97/47/608009747.db2.gz SVLKTDQYORSXNS-ZCFIWIBFSA-N -2 3 379.320 1.027 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000826279025 608010405 /nfs/dbraw/zinc/01/04/05/608010405.db2.gz BYCPIIVXLNLXHS-CQSZACIVSA-N -2 3 387.421 1.669 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000826279025 608010406 /nfs/dbraw/zinc/01/04/06/608010406.db2.gz BYCPIIVXLNLXHS-CQSZACIVSA-N -2 3 387.421 1.669 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000826255591 608011779 /nfs/dbraw/zinc/01/17/79/608011779.db2.gz CRSYPVACUUZFLO-AWEZNQCLSA-N -2 3 387.421 1.149 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000826255591 608011780 /nfs/dbraw/zinc/01/17/80/608011780.db2.gz CRSYPVACUUZFLO-AWEZNQCLSA-N -2 3 387.421 1.149 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([C@@H]2CCOC2)c1 ZINC000826450221 608075958 /nfs/dbraw/zinc/07/59/58/608075958.db2.gz BOVIXWCZZKTYCS-OAHLLOKOSA-N -2 3 399.432 1.489 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([C@@H]2CCOC2)c1 ZINC000826450221 608075959 /nfs/dbraw/zinc/07/59/59/608075959.db2.gz BOVIXWCZZKTYCS-OAHLLOKOSA-N -2 3 399.432 1.489 20 0 GDADHL COCCn1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000826163713 608107626 /nfs/dbraw/zinc/10/76/26/608107626.db2.gz HWOVCXQMOICWGL-UHFFFAOYSA-N -2 3 383.821 1.164 20 0 GDADHL COCCn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000826163713 608107627 /nfs/dbraw/zinc/10/76/27/608107627.db2.gz HWOVCXQMOICWGL-UHFFFAOYSA-N -2 3 383.821 1.164 20 0 GDADHL Cc1noc(C2CC2)c1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826279216 608142918 /nfs/dbraw/zinc/14/29/18/608142918.db2.gz JIPGMXHVZHRVBH-UHFFFAOYSA-N -2 3 388.409 1.468 20 0 GDADHL Cc1noc(C2CC2)c1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826279216 608142919 /nfs/dbraw/zinc/14/29/19/608142919.db2.gz JIPGMXHVZHRVBH-UHFFFAOYSA-N -2 3 388.409 1.468 20 0 GDADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825074952 608144707 /nfs/dbraw/zinc/14/47/07/608144707.db2.gz LOGIJHFQNGWUGT-LBPRGKRZSA-N -2 3 381.458 1.660 20 0 GDADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825074952 608144708 /nfs/dbraw/zinc/14/47/08/608144708.db2.gz LOGIJHFQNGWUGT-LBPRGKRZSA-N -2 3 381.458 1.660 20 0 GDADHL CCCOc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825342608 608146121 /nfs/dbraw/zinc/14/61/21/608146121.db2.gz VNQLNKIDBLIMAB-UHFFFAOYSA-N -2 3 387.421 1.774 20 0 GDADHL CCCOc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825342608 608146122 /nfs/dbraw/zinc/14/61/22/608146122.db2.gz VNQLNKIDBLIMAB-UHFFFAOYSA-N -2 3 387.421 1.774 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc(C)c1F ZINC000826260657 608180655 /nfs/dbraw/zinc/18/06/55/608180655.db2.gz ZNMXOEJPWHXFSZ-UHFFFAOYSA-N -2 3 375.385 1.741 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc(C)c1F ZINC000826260657 608180657 /nfs/dbraw/zinc/18/06/57/608180657.db2.gz ZNMXOEJPWHXFSZ-UHFFFAOYSA-N -2 3 375.385 1.741 20 0 GDADHL O=C(C=Cc1ccnc(Cl)c1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826402909 608194943 /nfs/dbraw/zinc/19/49/43/608194943.db2.gz FQERJUGZZJNBPC-LZCJLJQNSA-N -2 3 390.812 1.433 20 0 GDADHL O=C(C=Cc1ccnc(Cl)c1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826402909 608194944 /nfs/dbraw/zinc/19/49/44/608194944.db2.gz FQERJUGZZJNBPC-LZCJLJQNSA-N -2 3 390.812 1.433 20 0 GDADHL O=C(C=Cc1ccc(Cl)nc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826399825 608274838 /nfs/dbraw/zinc/27/48/38/608274838.db2.gz HGCBCVDAHSQSFZ-ALCCZGGFSA-N -2 3 390.812 1.433 20 0 GDADHL O=C(C=Cc1ccc(Cl)nc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826399825 608274839 /nfs/dbraw/zinc/27/48/39/608274839.db2.gz HGCBCVDAHSQSFZ-ALCCZGGFSA-N -2 3 390.812 1.433 20 0 GDADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(OC2CCCC2)cc1 ZINC000826492393 608307994 /nfs/dbraw/zinc/30/79/94/608307994.db2.gz ICBWGNDCJSWJFH-UHFFFAOYSA-N -2 3 375.414 1.712 20 0 GDADHL CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000824334286 608334045 /nfs/dbraw/zinc/33/40/45/608334045.db2.gz USIGOFZWRTZFFF-UHFFFAOYSA-N -2 3 393.450 1.834 20 0 GDADHL CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000824334286 608334047 /nfs/dbraw/zinc/33/40/47/608334047.db2.gz USIGOFZWRTZFFF-UHFFFAOYSA-N -2 3 393.450 1.834 20 0 GDADHL CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826224092 608438671 /nfs/dbraw/zinc/43/86/71/608438671.db2.gz NWEIKBDNGMINDB-UHFFFAOYSA-N -2 3 391.384 1.734 20 0 GDADHL CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826224092 608438673 /nfs/dbraw/zinc/43/86/73/608438673.db2.gz NWEIKBDNGMINDB-UHFFFAOYSA-N 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/nfs/dbraw/zinc/06/07/38/532060738.db2.gz SEWZJYKPGVUBFR-LBPRGKRZSA-N -2 3 392.474 1.207 20 0 GDADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)c1Cl ZINC000325611559 532075942 /nfs/dbraw/zinc/07/59/42/532075942.db2.gz HWYYRWHTNZBUEO-UHFFFAOYSA-N -2 3 393.252 1.765 20 0 GDADHL CCC(CC)(CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000424366497 532089338 /nfs/dbraw/zinc/08/93/38/532089338.db2.gz JCMGCPQEPXAOHD-UHFFFAOYSA-N -2 3 387.849 1.689 20 0 GDADHL CCC(CC)(CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000424366497 532089341 /nfs/dbraw/zinc/08/93/41/532089341.db2.gz JCMGCPQEPXAOHD-UHFFFAOYSA-N -2 3 387.849 1.689 20 0 GDADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)cn1 ZINC000273410109 532148705 /nfs/dbraw/zinc/14/87/05/532148705.db2.gz MLPFAVRVUMKBNT-UHFFFAOYSA-N -2 3 385.467 1.961 20 0 GDADHL C[C@H]([N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1)c1nc[nH]n1 ZINC000273661717 532163187 /nfs/dbraw/zinc/16/31/87/532163187.db2.gz FBMNWIYEVBLLQL-VIFPVBQESA-N -2 3 388.833 1.741 20 0 GDADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000287098057 532195958 /nfs/dbraw/zinc/19/59/58/532195958.db2.gz ABHTYLRCVMMFAF-LURJTMIESA-N -3 3 389.279 1.178 20 0 GDADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000274379225 532206717 /nfs/dbraw/zinc/20/67/17/532206717.db2.gz FZNLOAKGURXFHF-UHFFFAOYSA-N -2 3 377.419 1.530 20 0 GDADHL COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-] ZINC000274909152 532240948 /nfs/dbraw/zinc/24/09/48/532240948.db2.gz KEEXLBHWLFXYEA-SSDOTTSWSA-N -2 3 380.216 1.235 20 0 GDADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCOCC1 ZINC000274938314 532244281 /nfs/dbraw/zinc/24/42/81/532244281.db2.gz FVMSZXZGJUHHNY-UHFFFAOYSA-N -2 3 396.234 1.748 20 0 GDADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(=O)[O-] ZINC000274971715 532248431 /nfs/dbraw/zinc/24/84/31/532248431.db2.gz IUIDZOOSJSMFJB-LLVKDONJSA-N -2 3 377.802 1.227 20 0 GDADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCCC(=O)[O-])cc1F ZINC000274975840 532249533 /nfs/dbraw/zinc/24/95/33/532249533.db2.gz WZMZWTPLFCBJPQ-UHFFFAOYSA-N -2 3 396.462 1.511 20 0 GDADHL CS(=O)(=O)c1cc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)c(Cl)s1 ZINC000274980548 532249774 /nfs/dbraw/zinc/24/97/74/532249774.db2.gz JQXUMLYXXLZRAR-RQJHMYQMSA-N -2 3 385.872 1.113 20 0 GDADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCOC)C(=O)[O-] ZINC000275015237 532253215 /nfs/dbraw/zinc/25/32/15/532253215.db2.gz CJQIQTFOXLCVEA-LBPRGKRZSA-N -2 3 395.861 1.523 20 0 GDADHL C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)[O-] ZINC000275025653 532254551 /nfs/dbraw/zinc/25/45/51/532254551.db2.gz BQVGJFJMSUYEOD-MNOVXSKESA-N -2 3 377.846 1.754 20 0 GDADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000275055605 532258958 /nfs/dbraw/zinc/25/89/58/532258958.db2.gz TXBGFHROVFYGCT-LURJTMIESA-N -2 3 375.877 1.337 20 0 GDADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000275090166 532263609 /nfs/dbraw/zinc/26/36/09/532263609.db2.gz OWCYEUPXTOWRII-OAHLLOKOSA-N -2 3 383.447 1.876 20 0 GDADHL Cn1cc(C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C(=O)[O-])cn1 ZINC000275375943 532291372 /nfs/dbraw/zinc/29/13/72/532291372.db2.gz ZGLUUVDEGMYGGZ-QMMMGPOBSA-N -2 3 394.272 1.218 20 0 GDADHL COC(=O)NCCc1ccc(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])s1 ZINC000276212364 532323030 /nfs/dbraw/zinc/32/30/30/532323030.db2.gz KKGAXVRTODIDTJ-SNVBAGLBSA-N -2 3 378.472 1.426 20 0 GDADHL C[C@@]1(c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])c2)NC(=O)NC1=O ZINC000549722210 450590781 /nfs/dbraw/zinc/59/07/81/450590781.db2.gz PIGQQEQDKCRCSK-INIZCTEOSA-N -2 3 395.824 1.901 20 0 GDADHL NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000555530309 450591273 /nfs/dbraw/zinc/59/12/73/450591273.db2.gz XUZMREDWHJXYMK-UHFFFAOYSA-N -2 3 376.843 1.635 20 0 GDADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737072936 598843009 /nfs/dbraw/zinc/84/30/09/598843009.db2.gz XOHCDGLCQQNDNF-UHFFFAOYSA-N -3 3 393.356 1.513 20 0 GDADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737072936 598843010 /nfs/dbraw/zinc/84/30/10/598843010.db2.gz XOHCDGLCQQNDNF-UHFFFAOYSA-N -3 3 393.356 1.513 20 0 GDADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000737072009 598843043 /nfs/dbraw/zinc/84/30/43/598843043.db2.gz NYHOPYLTQVKVQN-UHFFFAOYSA-N -3 3 393.356 1.513 20 0 GDADHL C[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736271406 598855637 /nfs/dbraw/zinc/85/56/37/598855637.db2.gz NELILMIHCXQQBN-DOMZBBRYSA-N -2 3 393.469 1.408 20 0 GDADHL C[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736271406 598855638 /nfs/dbraw/zinc/85/56/38/598855638.db2.gz NELILMIHCXQQBN-DOMZBBRYSA-N -2 3 393.469 1.408 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1coc2ccccc12 ZINC000738139750 598856321 /nfs/dbraw/zinc/85/63/21/598856321.db2.gz OPMPSPUAPHUHNA-UHFFFAOYSA-N -2 3 383.389 1.873 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1coc2ccccc12 ZINC000738139750 598856323 /nfs/dbraw/zinc/85/63/23/598856323.db2.gz OPMPSPUAPHUHNA-UHFFFAOYSA-N -2 3 383.389 1.873 20 0 GDADHL Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000737282624 598909005 /nfs/dbraw/zinc/90/90/05/598909005.db2.gz HRVPSIWAUGGWRE-UHFFFAOYSA-N -2 3 393.450 1.379 20 0 GDADHL Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737282624 598909006 /nfs/dbraw/zinc/90/90/06/598909006.db2.gz HRVPSIWAUGGWRE-UHFFFAOYSA-N -2 3 393.450 1.379 20 0 GDADHL Cc1ncc(C=CC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000737489392 598975439 /nfs/dbraw/zinc/97/54/39/598975439.db2.gz JTEYNHPMQXDKPF-AATRIKPKSA-N -2 3 390.450 1.458 20 0 GDADHL Cc1ncc(C=CC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000737489392 598975441 /nfs/dbraw/zinc/97/54/41/598975441.db2.gz JTEYNHPMQXDKPF-AATRIKPKSA-N -2 3 390.450 1.458 20 0 GDADHL CSc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)o1 ZINC000737193927 598974460 /nfs/dbraw/zinc/97/44/60/598974460.db2.gz ZWUUQBRUTMBWSN-UHFFFAOYSA-N -2 3 379.423 1.609 20 0 GDADHL CSc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)o1 ZINC000737193927 598974461 /nfs/dbraw/zinc/97/44/61/598974461.db2.gz ZWUUQBRUTMBWSN-UHFFFAOYSA-N -2 3 379.423 1.609 20 0 GDADHL Cc1ncc(C=CC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000737489393 598975126 /nfs/dbraw/zinc/97/51/26/598975126.db2.gz JTEYNHPMQXDKPF-WAYWQWQTSA-N -2 3 390.450 1.458 20 0 GDADHL Cc1ncc(C=CC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000737489393 598975128 /nfs/dbraw/zinc/97/51/28/598975128.db2.gz JTEYNHPMQXDKPF-WAYWQWQTSA-N -2 3 390.450 1.458 20 0 GDADHL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737343646 598976684 /nfs/dbraw/zinc/97/66/84/598976684.db2.gz RCXXIKOTUILHJK-UHFFFAOYSA-N -2 3 375.385 1.741 20 0 GDADHL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737343646 598976685 /nfs/dbraw/zinc/97/66/85/598976685.db2.gz RCXXIKOTUILHJK-UHFFFAOYSA-N -2 3 375.385 1.741 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCc1ccsc1 ZINC000737297932 598977962 /nfs/dbraw/zinc/97/79/62/598977962.db2.gz GDZPIFXWAGKEIV-UHFFFAOYSA-N -2 3 377.451 1.674 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCc1ccsc1 ZINC000737297932 598977965 /nfs/dbraw/zinc/97/79/65/598977965.db2.gz GDZPIFXWAGKEIV-UHFFFAOYSA-N -2 3 377.451 1.674 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccccc1Cl ZINC000737299984 598978065 /nfs/dbraw/zinc/97/80/65/598978065.db2.gz TUDJJDAVQSCANL-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccccc1Cl ZINC000737299984 598978066 /nfs/dbraw/zinc/97/80/66/598978066.db2.gz TUDJJDAVQSCANL-UHFFFAOYSA-N -2 3 377.813 1.947 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCc2ccccc21 ZINC000737299474 598978137 /nfs/dbraw/zinc/97/81/37/598978137.db2.gz PYTZOIDXRJJGRG-HNNXBMFYSA-N -2 3 383.433 1.710 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCc2ccccc21 ZINC000737299474 598978138 /nfs/dbraw/zinc/97/81/38/598978138.db2.gz PYTZOIDXRJJGRG-HNNXBMFYSA-N -2 3 383.433 1.710 20 0 GDADHL O=S(=O)([N-]c1nnc(C(F)(F)F)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823589192 607258589 /nfs/dbraw/zinc/25/85/89/607258589.db2.gz RXRXMWNDDRGIRJ-UHFFFAOYSA-N -2 3 395.323 1.677 20 0 GDADHL O=S(=O)([N-]c1nnc(C(F)(F)F)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823589192 607258590 /nfs/dbraw/zinc/25/85/90/607258590.db2.gz RXRXMWNDDRGIRJ-UHFFFAOYSA-N -2 3 395.323 1.677 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(-n2cccn2)c1 ZINC000738138714 599220438 /nfs/dbraw/zinc/22/04/38/599220438.db2.gz IFVYAAQLXLIKEY-UHFFFAOYSA-N -2 3 395.404 1.171 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(-n2cccn2)c1 ZINC000738138714 599220439 /nfs/dbraw/zinc/22/04/39/599220439.db2.gz IFVYAAQLXLIKEY-UHFFFAOYSA-N -2 3 395.404 1.171 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000736184996 599220572 /nfs/dbraw/zinc/22/05/72/599220572.db2.gz QNOMHYBSCBSCQL-IUODEOHRSA-N -2 3 381.392 1.446 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000736184996 599220574 /nfs/dbraw/zinc/22/05/74/599220574.db2.gz QNOMHYBSCBSCQL-IUODEOHRSA-N -2 3 381.392 1.446 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000736185078 599220697 /nfs/dbraw/zinc/22/06/97/599220697.db2.gz SMPFTMJZOSSVQY-GFCCVEGCSA-N -2 3 381.392 1.691 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000736185078 599220700 /nfs/dbraw/zinc/22/07/00/599220700.db2.gz SMPFTMJZOSSVQY-GFCCVEGCSA-N -2 3 381.392 1.691 20 0 GDADHL COC(=O)c1sc2[n-]c(CN3CCC[C@@H](CC(=O)[O-])C3)nc(=O)c2c1C ZINC000818528183 597083335 /nfs/dbraw/zinc/08/33/35/597083335.db2.gz MOPPEXMWDADOHT-JTQLQIEISA-N -2 3 379.438 1.766 20 0 GDADHL CC(C)(C)SCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735644143 598414191 /nfs/dbraw/zinc/41/41/91/598414191.db2.gz WOJFQAXOJJUVHG-UHFFFAOYSA-N -2 3 389.890 1.857 20 0 GDADHL CC(C)(C)SCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735644143 598414192 /nfs/dbraw/zinc/41/41/92/598414192.db2.gz WOJFQAXOJJUVHG-UHFFFAOYSA-N -2 3 389.890 1.857 20 0 GDADHL COc1cccc([C@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737128085 598414772 /nfs/dbraw/zinc/41/47/72/598414772.db2.gz MHZGPQIJIVETDO-HZPDHXFCSA-N -2 3 399.432 1.484 20 0 GDADHL COc1cccc([C@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737128085 598414774 /nfs/dbraw/zinc/41/47/74/598414774.db2.gz MHZGPQIJIVETDO-HZPDHXFCSA-N -2 3 399.432 1.484 20 0 GDADHL O=C(CCc1ccccc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737857132 598417181 /nfs/dbraw/zinc/41/71/81/598417181.db2.gz NCJBSNJSXCZHML-UHFFFAOYSA-N -2 3 391.840 1.958 20 0 GDADHL O=C(CCc1ccccc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737857132 598417182 /nfs/dbraw/zinc/41/71/82/598417182.db2.gz NCJBSNJSXCZHML-UHFFFAOYSA-N -2 3 391.840 1.958 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n(-c2ccccn2)n1 ZINC000737281083 598438176 /nfs/dbraw/zinc/43/81/76/598438176.db2.gz PFKVMDKFQQSHOR-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n(-c2ccccn2)n1 ZINC000737281083 598438178 /nfs/dbraw/zinc/43/81/78/598438178.db2.gz PFKVMDKFQQSHOR-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000738303095 598514020 /nfs/dbraw/zinc/51/40/20/598514020.db2.gz BWYCVSXGWZJOLJ-UHFFFAOYSA-N -2 3 384.421 1.794 20 0 GDADHL O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000738303095 598514023 /nfs/dbraw/zinc/51/40/23/598514023.db2.gz BWYCVSXGWZJOLJ-UHFFFAOYSA-N -2 3 384.421 1.794 20 0 GDADHL COCCOc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737012921 598548843 /nfs/dbraw/zinc/54/88/43/598548843.db2.gz BBGGOWNMWZYDEH-UHFFFAOYSA-N -2 3 376.398 1.088 20 0 GDADHL COCCOc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737012921 598548845 /nfs/dbraw/zinc/54/88/45/598548845.db2.gz BBGGOWNMWZYDEH-UHFFFAOYSA-N -2 3 376.398 1.088 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCOc2ccccc21 ZINC000738139037 598642654 /nfs/dbraw/zinc/64/26/54/598642654.db2.gz JXWKGGGRECRZSQ-OAHLLOKOSA-N -2 3 399.432 1.379 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCOc2ccccc21 ZINC000738139037 598642656 /nfs/dbraw/zinc/64/26/56/598642656.db2.gz JXWKGGGRECRZSQ-OAHLLOKOSA-N -2 3 399.432 1.379 20 0 GDADHL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736723291 598673858 /nfs/dbraw/zinc/67/38/58/598673858.db2.gz WEFRFTLMVTULOQ-UHFFFAOYSA-N -2 3 397.424 1.341 20 0 GDADHL Cc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737318606 598728017 /nfs/dbraw/zinc/72/80/17/598728017.db2.gz WJTPAZVCMPVPRI-UHFFFAOYSA-N -2 3 385.449 1.958 20 0 GDADHL Cc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737318606 598728019 /nfs/dbraw/zinc/72/80/19/598728019.db2.gz WJTPAZVCMPVPRI-UHFFFAOYSA-N -2 3 385.449 1.958 20 0 GDADHL C[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736059407 598750214 /nfs/dbraw/zinc/75/02/14/598750214.db2.gz SAPFDKSJYFVYNN-ZDUSSCGKSA-N -2 3 385.449 1.692 20 0 GDADHL C[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736059407 598750217 /nfs/dbraw/zinc/75/02/17/598750217.db2.gz SAPFDKSJYFVYNN-ZDUSSCGKSA-N -2 3 385.449 1.692 20 0 GDADHL O=C(C=Cc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000737801943 598752578 /nfs/dbraw/zinc/75/25/78/598752578.db2.gz VBUOBFXKVVRVHS-XQRVVYSFSA-N -2 3 390.812 1.433 20 0 GDADHL O=C(C=Cc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000737801943 598752579 /nfs/dbraw/zinc/75/25/79/598752579.db2.gz VBUOBFXKVVRVHS-XQRVVYSFSA-N -2 3 390.812 1.433 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCc2ccccc21 ZINC000738138021 598799913 /nfs/dbraw/zinc/79/99/13/598799913.db2.gz CCZULIWMKRQMCB-MRXNPFEDSA-N -2 3 383.433 1.543 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCc2ccccc21 ZINC000738138021 598799914 /nfs/dbraw/zinc/79/99/14/598799914.db2.gz CCZULIWMKRQMCB-MRXNPFEDSA-N -2 3 383.433 1.543 20 0 GDADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736204955 599516036 /nfs/dbraw/zinc/51/60/36/599516036.db2.gz URFHQJAFPWVJSZ-LBPRGKRZSA-N -2 3 387.421 1.453 20 0 GDADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736204955 599516039 /nfs/dbraw/zinc/51/60/39/599516039.db2.gz URFHQJAFPWVJSZ-LBPRGKRZSA-N -2 3 387.421 1.453 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccco1 ZINC000819867999 599622754 /nfs/dbraw/zinc/62/27/54/599622754.db2.gz XCFAOQAGLMNVOD-QMMMGPOBSA-N -2 3 381.801 1.722 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccco1 ZINC000819867999 599622755 /nfs/dbraw/zinc/62/27/55/599622755.db2.gz XCFAOQAGLMNVOD-QMMMGPOBSA-N -2 3 381.801 1.722 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cc1cc(F)ccc1F ZINC000822222569 599624829 /nfs/dbraw/zinc/62/48/29/599624829.db2.gz MKARYFUUIWDPBA-UHFFFAOYSA-N -2 3 393.375 1.501 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cc1cc(F)ccc1F ZINC000822222569 599624830 /nfs/dbraw/zinc/62/48/30/599624830.db2.gz MKARYFUUIWDPBA-UHFFFAOYSA-N -2 3 393.375 1.501 20 0 GDADHL COc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821904192 599625503 /nfs/dbraw/zinc/62/55/03/599625503.db2.gz SMTWMHWVBSZMJR-KHPPLWFESA-N -2 3 385.405 1.394 20 0 GDADHL COc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821904192 599625504 /nfs/dbraw/zinc/62/55/04/599625504.db2.gz SMTWMHWVBSZMJR-KHPPLWFESA-N -2 3 385.405 1.394 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)cn1C ZINC000821667947 599689817 /nfs/dbraw/zinc/68/98/17/599689817.db2.gz HYGSSMIRVYDFKA-UHFFFAOYSA-N -2 3 396.816 1.446 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)cn1C ZINC000821667947 599689818 /nfs/dbraw/zinc/68/98/18/599689818.db2.gz HYGSSMIRVYDFKA-UHFFFAOYSA-N -2 3 396.816 1.446 20 0 GDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)c1ccccc1 ZINC000737577980 599813411 /nfs/dbraw/zinc/81/34/11/599813411.db2.gz LUADVWTYMIOEOX-QGZVFWFLSA-N -2 3 393.417 1.733 20 0 GDADHL CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)CCC(=O)[O-])ccc1Cl ZINC000737088831 599874467 /nfs/dbraw/zinc/87/44/67/599874467.db2.gz RTEVFHWQTHFCBN-UHFFFAOYSA-N -2 3 398.890 1.587 20 0 GDADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000547872171 599876755 /nfs/dbraw/zinc/87/67/55/599876755.db2.gz QRBLTTMIDRBQKU-GFCCVEGCSA-N -2 3 390.483 1.324 20 0 GDADHL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826268037 607403488 /nfs/dbraw/zinc/40/34/88/607403488.db2.gz HNXGMOHEFAXGQY-UHFFFAOYSA-N -2 3 375.385 1.741 20 0 GDADHL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826268037 607403490 /nfs/dbraw/zinc/40/34/90/607403490.db2.gz HNXGMOHEFAXGQY-UHFFFAOYSA-N -2 3 375.385 1.741 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccc(OC)cc1 ZINC000737575182 599938356 /nfs/dbraw/zinc/93/83/56/599938356.db2.gz CHWIZOHRHBEJFL-INIZCTEOSA-N -2 3 393.417 1.894 20 0 GDADHL O=C([O-])c1cccc2c1CCCN2S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000740316794 600053542 /nfs/dbraw/zinc/05/35/42/600053542.db2.gz QGRFOKFWIPDWNW-UHFFFAOYSA-N -2 3 386.385 1.410 20 0 GDADHL O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000826428143 607424517 /nfs/dbraw/zinc/42/45/17/607424517.db2.gz PVYXDEWJFKSKFN-UHFFFAOYSA-N -2 3 390.363 1.035 20 0 GDADHL O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000826428143 607424518 /nfs/dbraw/zinc/42/45/18/607424518.db2.gz PVYXDEWJFKSKFN-UHFFFAOYSA-N -2 3 390.363 1.035 20 0 GDADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)/C=C/c1ccccc1Br ZINC000737574911 600147454 /nfs/dbraw/zinc/14/74/54/600147454.db2.gz NZSNZMALUBUDBE-XUIVZRPNSA-N -2 3 392.227 1.356 20 0 GDADHL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000739296369 600158561 /nfs/dbraw/zinc/15/85/61/600158561.db2.gz BVMZPBRCIBYMHI-QGZVFWFLSA-N -2 3 381.388 1.415 20 0 GDADHL Cc1nc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)nn1-c1c(Cl)cccc1Cl ZINC000738841898 600183947 /nfs/dbraw/zinc/18/39/47/600183947.db2.gz GJGKPWKBDKYNCS-UHFFFAOYSA-N -2 3 396.194 1.880 20 0 GDADHL Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000738473872 600509937 /nfs/dbraw/zinc/50/99/37/600509937.db2.gz XATLPHBLGLMEAN-UHFFFAOYSA-N -2 3 376.340 1.558 20 0 GDADHL CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000042795175 600542451 /nfs/dbraw/zinc/54/24/51/600542451.db2.gz KUVBZVDJMSDISB-UHFFFAOYSA-N -2 3 378.406 1.862 20 0 GDADHL Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000363594466 600629161 /nfs/dbraw/zinc/62/91/61/600629161.db2.gz BFAPINCQMBQFMJ-UHFFFAOYSA-N -2 3 391.384 1.538 20 0 GDADHL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000740072919 600636612 /nfs/dbraw/zinc/63/66/12/600636612.db2.gz WGCCLANGIWCYGG-UHFFFAOYSA-N -3 3 380.765 1.723 20 0 GDADHL CCN1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)C1 ZINC000829759735 600793310 /nfs/dbraw/zinc/79/33/10/600793310.db2.gz KZSMHIXWQMSKTQ-QMMMGPOBSA-N -2 3 395.250 1.659 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CNS(C)(=O)=O)cc2)ccc1C(=O)[O-] ZINC000506654452 600894119 /nfs/dbraw/zinc/89/41/19/600894119.db2.gz OVTZUTQVTJZRLK-UHFFFAOYSA-N -2 3 398.462 1.543 20 0 GDADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000833090257 600951476 /nfs/dbraw/zinc/95/14/76/600951476.db2.gz VQEGHTKLQBKAPV-ZDUSSCGKSA-N -2 3 382.376 1.297 20 0 GDADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)N1CCOCC1 ZINC000826611115 600991083 /nfs/dbraw/zinc/99/10/83/600991083.db2.gz DPGQDWPJNCDYIK-UHFFFAOYSA-N -2 3 378.397 1.052 20 0 GDADHL COC(=O)c1sc2[n-]c(CN3CCSC[C@@H]3CC(=O)[O-])nc(=O)c2c1C ZINC000831480218 601022099 /nfs/dbraw/zinc/02/20/99/601022099.db2.gz ZMRWAFFXHFAHJF-VIFPVBQESA-N -2 3 397.478 1.472 20 0 GDADHL O=C([O-])CC1(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCCCC1 ZINC000663122711 601185870 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20 0 GDADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC000820972543 606839053 /nfs/dbraw/zinc/83/90/53/606839053.db2.gz OREHSSGMKYWYLF-UFBFGSQYSA-N -2 3 385.833 1.283 20 0 GDADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC000820972543 606839054 /nfs/dbraw/zinc/83/90/54/606839054.db2.gz OREHSSGMKYWYLF-UFBFGSQYSA-N -2 3 385.833 1.283 20 0 GDADHL COc1cccc(CC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821867931 606886718 /nfs/dbraw/zinc/88/67/18/606886718.db2.gz LPZYUNMTFSODCQ-UHFFFAOYSA-N -2 3 395.391 1.675 20 0 GDADHL Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822522749 606892770 /nfs/dbraw/zinc/89/27/70/606892770.db2.gz LZLVOUCFKGFZOF-SSDOTTSWSA-N -2 3 398.395 1.659 20 0 GDADHL O=S(=O)([N-][C@H]1CCCc2[nH]ccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572261 606896020 /nfs/dbraw/zinc/89/60/20/606896020.db2.gz FPPIFOOMAQSKAR-ZDUSSCGKSA-N -2 3 380.380 1.829 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1F ZINC000823285702 606918047 /nfs/dbraw/zinc/91/80/47/606918047.db2.gz ZJQRYOKMOCTJSA-UHFFFAOYSA-N -2 3 381.776 1.778 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1F ZINC000823285702 606918048 /nfs/dbraw/zinc/91/80/48/606918048.db2.gz ZJQRYOKMOCTJSA-UHFFFAOYSA-N -2 3 381.776 1.778 20 0 GDADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000821700572 607110566 /nfs/dbraw/zinc/11/05/66/607110566.db2.gz RZFPRXRIGNXOPN-LBPRGKRZSA-N -2 3 377.401 1.117 20 0 GDADHL O=C([O-])[C@H](CNC(=O)COc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000823037194 607110862 /nfs/dbraw/zinc/11/08/62/607110862.db2.gz SYVRUYZPCFIWLN-AWEZNQCLSA-N -2 3 399.382 1.444 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C1CC1)C1CC1 ZINC000826450339 607806748 /nfs/dbraw/zinc/80/67/48/607806748.db2.gz HOARNJJKLMDXJB-UHFFFAOYSA-N -2 3 381.845 1.761 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C1CC1)C1CC1 ZINC000826450339 607806749 /nfs/dbraw/zinc/80/67/49/607806749.db2.gz HOARNJJKLMDXJB-UHFFFAOYSA-N -2 3 381.845 1.761 20 0 GDADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1cnn(-c2ccccc2F)c1 ZINC000826492840 608108017 /nfs/dbraw/zinc/10/80/17/608108017.db2.gz HDWWMZKGDQHDJZ-UHFFFAOYSA-N -2 3 385.384 1.992 20 0 GDADHL Cc1ccncc1C=CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826315862 608141964 /nfs/dbraw/zinc/14/19/64/608141964.db2.gz WVCSZKFYRUFORK-WAYWQWQTSA-N -2 3 384.421 1.230 20 0 GDADHL Cc1ccncc1C=CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826315862 608141965 /nfs/dbraw/zinc/14/19/65/608141965.db2.gz WVCSZKFYRUFORK-WAYWQWQTSA-N -2 3 384.421 1.230 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccnc1C1CC1 ZINC000826449900 608142176 /nfs/dbraw/zinc/14/21/76/608142176.db2.gz NZAAACJWLWVJCF-UHFFFAOYSA-N -2 3 384.421 1.399 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccnc1C1CC1 ZINC000826449900 608142177 /nfs/dbraw/zinc/14/21/77/608142177.db2.gz NZAAACJWLWVJCF-UHFFFAOYSA-N -2 3 384.421 1.399 20 0 GDADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825075890 608144837 /nfs/dbraw/zinc/14/48/37/608144837.db2.gz SNDXWJXVSYCVNU-FZMZJTMJSA-N -2 3 378.458 1.080 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1F ZINC000824045380 608179409 /nfs/dbraw/zinc/17/94/09/608179409.db2.gz LUWGBSKWQUVKMG-SECBINFHSA-N -2 3 393.375 1.754 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1F ZINC000824045380 608179412 /nfs/dbraw/zinc/17/94/12/608179412.db2.gz LUWGBSKWQUVKMG-SECBINFHSA-N -2 3 393.375 1.754 20 0 GDADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826281114 608307013 /nfs/dbraw/zinc/30/70/13/608307013.db2.gz FQJWYZAOHVOJAC-UHFFFAOYSA-N -2 3 384.219 1.462 20 0 GDADHL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826289089 608317085 /nfs/dbraw/zinc/31/70/85/608317085.db2.gz KGDLDHPDEYZUGB-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826289089 608317087 /nfs/dbraw/zinc/31/70/87/608317087.db2.gz KGDLDHPDEYZUGB-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)n1 ZINC000826280244 608617899 /nfs/dbraw/zinc/61/78/99/608617899.db2.gz UDMRULZWGFWBPQ-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)n1 ZINC000826280244 608617900 /nfs/dbraw/zinc/61/79/00/608617900.db2.gz UDMRULZWGFWBPQ-UHFFFAOYSA-N -2 3 382.409 1.557 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(Cl)n1 ZINC000826450310 609147428 /nfs/dbraw/zinc/14/74/28/609147428.db2.gz GIOLVAUZFVKAGC-UHFFFAOYSA-N -2 3 399.219 1.687 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(Cl)n1 ZINC000826450310 609147430 /nfs/dbraw/zinc/14/74/30/609147430.db2.gz GIOLVAUZFVKAGC-UHFFFAOYSA-N -2 3 399.219 1.687 20 0 GDADHL CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2[nH]1 ZINC000825693692 609156126 /nfs/dbraw/zinc/15/61/26/609156126.db2.gz 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O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H](F)Cc1ccccc1 ZINC000826449764 609386985 /nfs/dbraw/zinc/38/69/85/609386985.db2.gz IWUYAXMIJUTWHK-HNNXBMFYSA-N -2 3 389.412 1.394 20 0 GDADHL CC[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825184748 609396465 /nfs/dbraw/zinc/39/64/65/609396465.db2.gz YYTSMHCFLCWTDR-WCQYABFASA-N -2 3 379.442 1.267 20 0 GDADHL CC[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825184748 609396467 /nfs/dbraw/zinc/39/64/67/609396467.db2.gz YYTSMHCFLCWTDR-WCQYABFASA-N -2 3 379.442 1.267 20 0 GDADHL CCOc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000825631939 609528370 /nfs/dbraw/zinc/52/83/70/609528370.db2.gz JIDYCHWLNRWZDY-UHFFFAOYSA-N -2 3 389.441 1.599 20 0 GDADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000825631939 609528373 /nfs/dbraw/zinc/52/83/73/609528373.db2.gz JIDYCHWLNRWZDY-UHFFFAOYSA-N -2 3 389.441 1.599 20 0 GDADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000539995609 650346227 /nfs/dbraw/zinc/34/62/27/650346227.db2.gz GIUNURVGCAJCMD-UHFFFAOYSA-N -2 3 383.451 1.964 20 0 GDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000548589000 650555902 /nfs/dbraw/zinc/55/59/02/650555902.db2.gz YPUGSACHESYZTD-VHSXEESVSA-N -2 3 376.456 1.632 20 0 GDADHL COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F ZINC000556773073 650711101 /nfs/dbraw/zinc/71/11/01/650711101.db2.gz BSVINVVOYNXWSG-LURJTMIESA-N -2 3 375.346 1.466 20 0 GDADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000564562051 650761707 /nfs/dbraw/zinc/76/17/07/650761707.db2.gz NHQHLVCAURCOOU-UHFFFAOYSA-N -2 3 386.426 1.737 20 0 GDADHL CC(C)C(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000273634103 645168457 /nfs/dbraw/zinc/16/84/57/645168457.db2.gz DALQDWDGVHLKQC-UHFFFAOYSA-N -2 3 383.253 1.742 20 0 GDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000514733369 648463176 /nfs/dbraw/zinc/46/31/76/648463176.db2.gz IWYAAANKTLOMGA-RYUDHWBXSA-N -2 3 381.435 1.693 20 0 GDADHL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000516864871 648539749 /nfs/dbraw/zinc/53/97/49/648539749.db2.gz IFUKJEBSMWEESZ-NWDGAFQWSA-N -2 3 395.836 1.989 20 0 GDADHL Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)no1 ZINC000517086412 648555269 /nfs/dbraw/zinc/55/52/69/648555269.db2.gz DBDKVPSROHWSCV-UHFFFAOYSA-N -2 3 392.434 1.102 20 0 GDADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1sccc1OC ZINC000520908034 648652409 /nfs/dbraw/zinc/65/24/09/648652409.db2.gz KDCVLTGASGNMBE-UHFFFAOYSA-N -2 3 380.444 1.605 20 0 GDADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000573947978 651503863 /nfs/dbraw/zinc/50/38/63/651503863.db2.gz AUWFAFQWDBNHJL-UHFFFAOYSA-N -2 3 394.396 1.954 20 0 GDADHL COc1cc([N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)c(C(=O)[O-])cc1OC(F)F ZINC000575806107 651605412 /nfs/dbraw/zinc/60/54/12/651605412.db2.gz FPQCLARUXSOIDH-JVXZTZIISA-N -2 3 381.353 1.914 20 0 GDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H](O)Cc1ccccc1 ZINC000579432327 651858954 /nfs/dbraw/zinc/85/89/54/651858954.db2.gz WOUQOCIBYOCHSZ-HIFRSBDPSA-N -2 3 387.816 1.814 20 0 GDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H](O)Cc1ccccc1 ZINC000579432326 651859112 /nfs/dbraw/zinc/85/91/12/651859112.db2.gz WOUQOCIBYOCHSZ-DZGCQCFKSA-N -2 3 387.816 1.814 20 0 GDADHL O=C(c1cc(I)ccc1[O-])N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000611215094 652911607 /nfs/dbraw/zinc/91/16/07/652911607.db2.gz ACEZGSFCIDFINA-MRVPVSSYSA-N -2 3 399.192 1.530 20 0 GDADHL O=C(c1cc(I)ccc1[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000611215094 652911610 /nfs/dbraw/zinc/91/16/10/652911610.db2.gz ACEZGSFCIDFINA-MRVPVSSYSA-N -2 3 399.192 1.530 20 0 GDADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccs1 ZINC000614314562 652959716 /nfs/dbraw/zinc/95/97/16/652959716.db2.gz LJFVSMCMIWVKEH-SSDOTTSWSA-N -2 3 376.437 1.486 20 0 GDADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCCO2)c(F)cc1Br ZINC000630421513 653210577 /nfs/dbraw/zinc/21/05/77/653210577.db2.gz FUFCVIZKTYOAQQ-PWSUYJOCSA-N -2 3 396.234 1.807 20 0 GDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)[C@H]1CCCO1 ZINC000630422375 653211142 /nfs/dbraw/zinc/21/11/42/653211142.db2.gz LDVRTHQQSAIESG-MWLCHTKSSA-N -2 3 382.207 1.499 20 0 GDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCCO2)sc1Br ZINC000630423270 653211476 /nfs/dbraw/zinc/21/14/76/653211476.db2.gz QSQRPXMDBVMNAQ-IONNQARKSA-N -2 3 384.273 1.730 20 0 GDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)[C@H]1CCCO1 ZINC000630423999 653211725 /nfs/dbraw/zinc/21/17/25/653211725.db2.gz UYDBSFWLVUDOFW-KCJUWKMLSA-N -2 3 382.207 1.499 20 0 GDADHL CC(C)n1cnc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC000650487631 653696223 /nfs/dbraw/zinc/69/62/23/653696223.db2.gz NVTVAMXTBRGXOS-UHFFFAOYSA-N -2 3 377.423 1.170 20 0 GDADHL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)N1CCC(OC)CC1 ZINC000656621297 654042571 /nfs/dbraw/zinc/04/25/71/654042571.db2.gz ONDUHIUPPQAQLS-UHFFFAOYSA-N -2 3 378.834 1.814 20 0 GDADHL O=C([O-])CCCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000666538533 654430890 /nfs/dbraw/zinc/43/08/90/654430890.db2.gz HNCZIVOWWBEMPM-UHFFFAOYSA-N -2 3 383.879 1.234 20 0 GDADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000776484874 654691061 /nfs/dbraw/zinc/69/10/61/654691061.db2.gz OBJPBLMAYKPTDH-VIFPVBQESA-N -2 3 397.421 1.626 20 0 GDADHL COc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000776623160 654700862 /nfs/dbraw/zinc/70/08/62/654700862.db2.gz PSYLAEUZXAJYKP-LBPRGKRZSA-N -2 3 384.841 1.965 20 0 GDADHL Cc1cnn(C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C(=O)[O-])c1 ZINC000776646383 654702141 /nfs/dbraw/zinc/70/21/41/654702141.db2.gz XHEMNZCBGLKLJG-JTQLQIEISA-N -2 3 379.225 1.325 20 0 GDADHL NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000749140283 654823138 /nfs/dbraw/zinc/82/31/38/654823138.db2.gz AJPICTQOQSWVBE-UHFFFAOYSA-N -2 3 392.361 1.111 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c(C)[nH]1 ZINC000784897343 654899777 /nfs/dbraw/zinc/89/97/77/654899777.db2.gz PZBGGCJSBOHKPF-UHFFFAOYSA-N -2 3 389.430 1.261 20 0 GDADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCCNC2=O)c1 ZINC000761249306 655138724 /nfs/dbraw/zinc/13/87/24/655138724.db2.gz NEPWKEGVDJSUDG-SECBINFHSA-N -2 3 381.237 1.639 20 0 GDADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)[N-]OC/C=C\Cl)CCCC1 ZINC000794290028 655138903 /nfs/dbraw/zinc/13/89/03/655138903.db2.gz XYXMNBWOLJBZHX-YVMONPNESA-N -2 3 377.850 1.683 20 0 GDADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000810559090 655165261 /nfs/dbraw/zinc/16/52/61/655165261.db2.gz LADHVGPOLGGPHY-UHFFFAOYSA-N -2 3 382.423 1.638 20 0 GDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCSC2)cc1F ZINC000810635823 655168340 /nfs/dbraw/zinc/16/83/40/655168340.db2.gz RKVIQGOBDVJSQR-SECBINFHSA-N -2 3 396.487 1.145 20 0 GDADHL O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)[N-]OCC(F)(F)F ZINC000766773664 655275534 /nfs/dbraw/zinc/27/55/34/655275534.db2.gz ILTRAJLQPIUEEB-UHFFFAOYSA-N -2 3 397.194 1.399 20 0 GDADHL Cn1ncc(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)n1 ZINC000840888649 655300394 /nfs/dbraw/zinc/30/03/94/655300394.db2.gz ATLSQRALRNDUDS-UHFFFAOYSA-N -2 3 393.252 1.731 20 0 GDADHL CCC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)COC1 ZINC000840894378 655301526 /nfs/dbraw/zinc/30/15/26/655301526.db2.gz SCYORNYWNKHORD-UHFFFAOYSA-N -2 3 384.273 1.914 20 0 GDADHL CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1=O ZINC000843288481 655390887 /nfs/dbraw/zinc/39/08/87/655390887.db2.gz NOMKJIVWWDUUFL-LLVKDONJSA-N -2 3 376.381 1.341 20 0 GDADHL CC(C)[C@H](CO)O[N-]C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000843902978 655402950 /nfs/dbraw/zinc/40/29/50/655402950.db2.gz BAZVWCMMXOHQOF-NSHDSACASA-N -2 3 385.269 1.336 20 0 GDADHL Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C(=O)[O-])n1 ZINC000844788118 655415287 /nfs/dbraw/zinc/41/52/87/655415287.db2.gz CDPKOMIVOIDXQS-NSHDSACASA-N -2 3 376.797 1.119 20 0 GDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000821669698 655433295 /nfs/dbraw/zinc/43/32/95/655433295.db2.gz YMGNMEIMOMOIOK-UHFFFAOYSA-N -2 3 384.374 1.050 20 0 GDADHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000848681264 655499070 /nfs/dbraw/zinc/49/90/70/655499070.db2.gz WUIDBAFICVDUJR-SSDOTTSWSA-N -2 3 375.603 1.589 20 0 GDADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000849219287 655520546 /nfs/dbraw/zinc/52/05/46/655520546.db2.gz OWIXBJQURDJVPY-SECBINFHSA-N -2 3 384.223 1.939 20 0 GDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)[C@@H]1CN(C)CCO1 ZINC000871920151 656292430 /nfs/dbraw/zinc/29/24/30/656292430.db2.gz BPYSLZUCYKCZBH-KCJUWKMLSA-N -2 3 397.280 1.689 20 0 GDADHL Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)n1 ZINC000899499903 659022922 /nfs/dbraw/zinc/02/29/22/659022922.db2.gz SNJSMTVXIGPYAE-UHFFFAOYSA-N -2 3 393.241 1.921 20 0 GDADHL O=C(c1ccc(I)cc1[O-])N1CCC(c2nnn[n-]2)CC1 ZINC000913747157 660095387 /nfs/dbraw/zinc/09/53/87/660095387.db2.gz SBEAAGDFHSAVTR-UHFFFAOYSA-N -2 3 399.192 1.530 20 0 GDADHL O=C(c1ccc(I)cc1[O-])N1CCC(c2nn[n-]n2)CC1 ZINC000913747157 660095388 /nfs/dbraw/zinc/09/53/88/660095388.db2.gz SBEAAGDFHSAVTR-UHFFFAOYSA-N -2 3 399.192 1.530 20 0 GDADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1OC ZINC000563918536 939341892 /nfs/dbraw/zinc/34/18/92/939341892.db2.gz CNSLBVGSHWSPEP-MRXNPFEDSA-N -2 3 385.442 1.832 20 0 GDADHL CCO[C@H]1C[C@@](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)(C(=O)[O-])C1(C)C ZINC000577043840 939744010 /nfs/dbraw/zinc/74/40/10/939744010.db2.gz MAFLYRHPXDUROX-KPZWWZAWSA-N -2 3 375.381 1.350 20 0 GDADHL Cc1nsc(N2CCC[C@H]2CNC(=O)c2ncccc2[O-])c1-c1nnn[n-]1 ZINC001571270346 945635413 /nfs/dbraw/zinc/63/54/13/945635413.db2.gz QWHVZNTYAMLJAE-JTQLQIEISA-N -2 3 386.441 1.131 20 0 GDADHL Cc1nsc(N2CCC[C@H]2CNC(=O)c2ncccc2[O-])c1-c1nn[n-]n1 ZINC001571270346 945635417 /nfs/dbraw/zinc/63/54/17/945635417.db2.gz QWHVZNTYAMLJAE-JTQLQIEISA-N -2 3 386.441 1.131 20 0 GDADHL C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000324890009 971166974 /nfs/dbraw/zinc/16/69/74/971166974.db2.gz NWMVKOYDIPYTTL-SECBINFHSA-N -2 3 380.825 1.176 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000822221160 946000542 /nfs/dbraw/zinc/00/05/42/946000542.db2.gz CUXSNCSNESEHQL-UHFFFAOYSA-N -3 3 377.357 1.813 20 0 GDADHL O=C(Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1)c1cc(-c2nnn[n-]2)ccn1 ZINC001571291781 946080493 /nfs/dbraw/zinc/08/04/93/946080493.db2.gz ORQGIKMFOPESRP-UHFFFAOYSA-N -2 3 389.379 1.412 20 0 GDADHL O=C(Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1)c1cc(-c2nn[n-]n2)ccn1 ZINC001571291781 946080505 /nfs/dbraw/zinc/08/05/05/946080505.db2.gz ORQGIKMFOPESRP-UHFFFAOYSA-N -2 3 389.379 1.412 20 0 GDADHL C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1Br)c1nn(C)cc1[O-] ZINC001571308381 946433498 /nfs/dbraw/zinc/43/34/98/946433498.db2.gz PHOPKNQIORJQFI-SSDOTTSWSA-N -2 3 392.217 1.559 20 0 GDADHL C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1Br)c1nn(C)cc1[O-] ZINC001571308381 946433499 /nfs/dbraw/zinc/43/34/99/946433499.db2.gz PHOPKNQIORJQFI-SSDOTTSWSA-N -2 3 392.217 1.559 20 0 GDADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O ZINC000325811392 971244923 /nfs/dbraw/zinc/24/49/23/971244923.db2.gz HLWNOZLDTPUORP-UHFFFAOYSA-N -3 3 390.464 1.927 20 0 GDADHL COCc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826165363 947519196 /nfs/dbraw/zinc/51/91/96/947519196.db2.gz RCPZPDRGHMTQDL-ZHACJKMWSA-N -2 3 399.432 1.531 20 0 GDADHL COCc1ccccc1S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826165363 947519207 /nfs/dbraw/zinc/51/92/07/947519207.db2.gz RCPZPDRGHMTQDL-ZHACJKMWSA-N -2 3 399.432 1.531 20 0 GDADHL Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(C)c3-c3nn[n-]n3)cc12 ZINC000826299758 947869948 /nfs/dbraw/zinc/86/99/48/947869948.db2.gz UDQYHNMPWQXXBL-UHFFFAOYSA-N -2 3 384.425 1.566 20 0 GDADHL O=C([O-])[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC000826417225 948258521 /nfs/dbraw/zinc/25/85/21/948258521.db2.gz JBPGTLLOOASIRJ-HNNXBMFYSA-N -2 3 387.783 1.841 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc2ncccc21 ZINC000826450419 948315748 /nfs/dbraw/zinc/31/57/48/948315748.db2.gz LJEKXXBHNWSHHX-UHFFFAOYSA-N -2 3 380.389 1.534 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc2ncccc21 ZINC000826450419 948315758 /nfs/dbraw/zinc/31/57/58/948315758.db2.gz LJEKXXBHNWSHHX-UHFFFAOYSA-N -2 3 380.389 1.534 20 0 GDADHL C[C@]1(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)c([O-])c3)c2)COC(=O)N1 ZINC001575857097 949262007 /nfs/dbraw/zinc/26/20/07/949262007.db2.gz NAGJBDPRDSETBV-GOSISDBHSA-N -2 3 380.364 1.780 20 0 GDADHL O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001595024985 951337071 /nfs/dbraw/zinc/33/70/71/951337071.db2.gz VPSXJIIDEWHRHP-GFCCVEGCSA-N -2 3 378.392 1.946 20 0 GDADHL O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001595024985 951337085 /nfs/dbraw/zinc/33/70/85/951337085.db2.gz VPSXJIIDEWHRHP-GFCCVEGCSA-N -2 3 378.392 1.946 20 0 GDADHL O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1nc[n-]c(=O)c1Br ZINC001571153983 952689307 /nfs/dbraw/zinc/68/93/07/952689307.db2.gz XSUNSUGBCTXEKV-UHFFFAOYSA-N -2 3 380.137 1.516 20 0 GDADHL O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccc(Br)c([O-])c1 ZINC001571171937 952799498 /nfs/dbraw/zinc/79/94/98/952799498.db2.gz IXJNLNNTXKVDAO-UHFFFAOYSA-N -2 3 381.215 1.721 20 0 GDADHL O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccc(Br)c([O-])c1 ZINC001571171937 952799500 /nfs/dbraw/zinc/79/95/00/952799500.db2.gz IXJNLNNTXKVDAO-UHFFFAOYSA-N -2 3 381.215 1.721 20 0 GDADHL CCC(CC)(CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(=O)[O-] ZINC000424414962 953478722 /nfs/dbraw/zinc/47/87/22/953478722.db2.gz RLXAYDVAAMUYBM-UHFFFAOYSA-N -2 3 377.441 1.751 20 0 GDADHL O=C([O-])[C@@H]1CC(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)=NN1c1ccccc1 ZINC001594768027 953540262 /nfs/dbraw/zinc/54/02/62/953540262.db2.gz WLQCASSYBYJXHO-INIZCTEOSA-N -2 3 395.419 1.785 20 0 GDADHL CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)[C@H](C)C(=O)[O-] ZINC000659771214 954367340 /nfs/dbraw/zinc/36/73/40/954367340.db2.gz KKQQUIYMSHQGAG-SNVBAGLBSA-N -2 3 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3 391.877 1.407 20 0 GDADHL O=C([O-])CCCOC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000738581556 597838910 /nfs/dbraw/zinc/83/89/10/597838910.db2.gz WHXKMCKSNDRFHY-UHFFFAOYSA-N -2 3 386.245 1.197 20 0 GDADHL O=C(CC[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737827249 598415240 /nfs/dbraw/zinc/41/52/40/598415240.db2.gz YCKQDKRKIOBPSM-SECBINFHSA-N -2 3 385.833 1.284 20 0 GDADHL O=C(CC[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737827249 598415242 /nfs/dbraw/zinc/41/52/42/598415242.db2.gz YCKQDKRKIOBPSM-SECBINFHSA-N -2 3 385.833 1.284 20 0 GDADHL Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822206168 607357449 /nfs/dbraw/zinc/35/74/49/607357449.db2.gz WUMUOMCFMROYRO-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822206168 607357451 /nfs/dbraw/zinc/35/74/51/607357451.db2.gz WUMUOMCFMROYRO-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL CCS[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736663149 598481326 /nfs/dbraw/zinc/48/13/26/598481326.db2.gz BUPUKAKDNXGVRX-ZDUSSCGKSA-N -2 3 383.499 1.590 20 0 GDADHL CCS[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736663149 598481327 /nfs/dbraw/zinc/48/13/27/598481327.db2.gz BUPUKAKDNXGVRX-ZDUSSCGKSA-N -2 3 383.499 1.590 20 0 GDADHL COc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737073803 598485676 /nfs/dbraw/zinc/48/56/76/598485676.db2.gz TWVPTYRCOVIABQ-LLVKDONJSA-N -2 3 387.421 1.484 20 0 GDADHL COc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737073803 598485677 /nfs/dbraw/zinc/48/56/77/598485677.db2.gz TWVPTYRCOVIABQ-LLVKDONJSA-N -2 3 387.421 1.484 20 0 GDADHL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737620734 598516142 /nfs/dbraw/zinc/51/61/42/598516142.db2.gz BFEQYXJOJSQTTG-UHFFFAOYSA-N -2 3 375.458 1.990 20 0 GDADHL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737620734 598516144 /nfs/dbraw/zinc/51/61/44/598516144.db2.gz BFEQYXJOJSQTTG-UHFFFAOYSA-N -2 3 375.458 1.990 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000735552827 598564470 /nfs/dbraw/zinc/56/44/70/598564470.db2.gz ZPNXFYOLFNXGGR-SNVBAGLBSA-N -2 3 375.385 1.614 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735552827 598564472 /nfs/dbraw/zinc/56/44/72/598564472.db2.gz ZPNXFYOLFNXGGR-SNVBAGLBSA-N -2 3 375.385 1.614 20 0 GDADHL CC(C)S(=O)(=O)[N-]C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735913628 598564891 /nfs/dbraw/zinc/56/48/91/598564891.db2.gz LIZIRFMKRLYLMA-UHFFFAOYSA-N -2 3 391.409 1.507 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(F)cc1C ZINC000822205713 607358630 /nfs/dbraw/zinc/35/86/30/607358630.db2.gz FYGNDJJTWUSYFY-UHFFFAOYSA-N -2 3 375.385 1.741 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(F)cc1C ZINC000822205713 607358631 /nfs/dbraw/zinc/35/86/31/607358631.db2.gz FYGNDJJTWUSYFY-UHFFFAOYSA-N -2 3 375.385 1.741 20 0 GDADHL Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822206167 607359151 /nfs/dbraw/zinc/35/91/51/607359151.db2.gz WTHJPYBIARWLTL-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822206167 607359152 /nfs/dbraw/zinc/35/91/52/607359152.db2.gz WTHJPYBIARWLTL-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1C ZINC000737016002 598637594 /nfs/dbraw/zinc/63/75/94/598637594.db2.gz STKDAEUNCNPWCQ-UHFFFAOYSA-N -2 3 390.425 1.396 20 0 GDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736422022 598784945 /nfs/dbraw/zinc/78/49/45/598784945.db2.gz FCJDJCVSAHEEBU-RYUDHWBXSA-N -2 3 381.458 1.516 20 0 GDADHL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736422022 598784947 /nfs/dbraw/zinc/78/49/47/598784947.db2.gz FCJDJCVSAHEEBU-RYUDHWBXSA-N -2 3 381.458 1.516 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)F)c1 ZINC000738139801 598799874 /nfs/dbraw/zinc/79/98/74/598799874.db2.gz QDMFUQUCEDLIFL-UHFFFAOYSA-N -2 3 379.348 1.923 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)F)c1 ZINC000738139801 598799875 /nfs/dbraw/zinc/79/98/75/598799875.db2.gz QDMFUQUCEDLIFL-UHFFFAOYSA-N -2 3 379.348 1.923 20 0 GDADHL NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000822879521 599307321 /nfs/dbraw/zinc/30/73/21/599307321.db2.gz CLTFSINQVIFFDH-UHFFFAOYSA-N -2 3 378.801 1.420 20 0 GDADHL NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000822879521 599307324 /nfs/dbraw/zinc/30/73/24/599307324.db2.gz CLTFSINQVIFFDH-UHFFFAOYSA-N -2 3 378.801 1.420 20 0 GDADHL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736940601 599470545 /nfs/dbraw/zinc/47/05/45/599470545.db2.gz MPKXQDZYZPRJCP-UHFFFAOYSA-N -2 3 376.398 1.399 20 0 GDADHL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736938964 599470597 /nfs/dbraw/zinc/47/05/97/599470597.db2.gz DKDVKVALTPSSML-UHFFFAOYSA-N -2 3 396.816 1.744 20 0 GDADHL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736938964 599470600 /nfs/dbraw/zinc/47/06/00/599470600.db2.gz DKDVKVALTPSSML-UHFFFAOYSA-N -2 3 396.816 1.744 20 0 GDADHL Cc1conc1[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000822408370 607381031 /nfs/dbraw/zinc/38/10/31/607381031.db2.gz CLGODIRCAUDYQX-UHFFFAOYSA-N -2 3 385.203 1.726 20 0 GDADHL Cc1conc1[N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000822408370 607381033 /nfs/dbraw/zinc/38/10/33/607381033.db2.gz CLGODIRCAUDYQX-UHFFFAOYSA-N -2 3 385.203 1.726 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000819868002 599621343 /nfs/dbraw/zinc/62/13/43/599621343.db2.gz XGPSWEBISXMCNW-LLVKDONJSA-N -2 3 389.412 1.756 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000819868002 599621344 /nfs/dbraw/zinc/62/13/44/599621344.db2.gz XGPSWEBISXMCNW-LLVKDONJSA-N -2 3 389.412 1.756 20 0 GDADHL C[C@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC000820690435 599622997 /nfs/dbraw/zinc/62/29/97/599622997.db2.gz LWHKWCSTLUPCJS-VHSXEESVSA-N -2 3 399.860 1.673 20 0 GDADHL C[C@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC000820690435 599622998 /nfs/dbraw/zinc/62/29/98/599622998.db2.gz LWHKWCSTLUPCJS-VHSXEESVSA-N -2 3 399.860 1.673 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](CN2CCOCC2)c2ccccc2)o1 ZINC000740174206 599736928 /nfs/dbraw/zinc/73/69/28/599736928.db2.gz VVAXHSBEMHYZQT-AWEZNQCLSA-N -2 3 380.422 1.330 20 0 GDADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)N2CCOCC2)cc1 ZINC000738570765 599773114 /nfs/dbraw/zinc/77/31/14/599773114.db2.gz VFPQDJKSLRLMTB-HNNXBMFYSA-N -2 3 394.449 1.638 20 0 GDADHL COc1ccccc1N1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000738134603 599776171 /nfs/dbraw/zinc/77/61/71/599776171.db2.gz UBRYFIFTTBHMNA-UHFFFAOYSA-N -2 3 380.422 1.934 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC000826249663 607397554 /nfs/dbraw/zinc/39/75/54/607397554.db2.gz NUNWFRRSUCYXJN-UHFFFAOYSA-N -2 3 398.404 1.576 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC000826249663 607397555 /nfs/dbraw/zinc/39/75/55/607397555.db2.gz NUNWFRRSUCYXJN-UHFFFAOYSA-N -2 3 398.404 1.576 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000826249509 607397609 /nfs/dbraw/zinc/39/76/09/607397609.db2.gz GGZBRGZVYODXSN-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000826249509 607397611 /nfs/dbraw/zinc/39/76/11/607397611.db2.gz GGZBRGZVYODXSN-UHFFFAOYSA-N -2 3 375.385 1.574 20 0 GDADHL O=C([O-])Nc1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)ccc1F ZINC000740011369 600101510 /nfs/dbraw/zinc/10/15/10/600101510.db2.gz BQNOKERVXGHXFL-UHFFFAOYSA-N -2 3 378.345 1.692 20 0 GDADHL Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000738287192 600254925 /nfs/dbraw/zinc/25/49/25/600254925.db2.gz BEMGYIQVAKYTBP-UHFFFAOYSA-N -2 3 399.446 1.744 20 0 GDADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1 ZINC000738464058 600302860 /nfs/dbraw/zinc/30/28/60/600302860.db2.gz ZSEZALQOEKYPQL-UHFFFAOYSA-N -3 3 380.378 1.967 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738064015 600302941 /nfs/dbraw/zinc/30/29/41/600302941.db2.gz OQTONIZODFAJIO-UHFFFAOYSA-N -3 3 380.378 1.962 20 0 GDADHL COC(=O)c1sc(NC(=O)COC(=O)c2cncc([O-])c2)c(C(=O)[O-])c1C ZINC000737717539 600371480 /nfs/dbraw/zinc/37/14/80/600371480.db2.gz DKCMVAZMQXCPFX-UHFFFAOYSA-N -2 3 394.361 1.437 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2C(=O)[O-])ccc1OC ZINC000504665516 600543898 /nfs/dbraw/zinc/54/38/98/600543898.db2.gz HHQYLFYQAMGYTJ-UHFFFAOYSA-N -2 3 395.389 1.989 20 0 GDADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000831328195 600689626 /nfs/dbraw/zinc/68/96/26/600689626.db2.gz SQJUCQMWEHYXIX-UHFFFAOYSA-N -3 3 379.346 1.670 20 0 GDADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(NC(=O)CN(C)C)cc1 ZINC000832868445 600829828 /nfs/dbraw/zinc/82/98/28/600829828.db2.gz NAIRRCYDOJZVRW-UHFFFAOYSA-N -2 3 391.449 1.994 20 0 GDADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000524813967 600899278 /nfs/dbraw/zinc/89/92/78/600899278.db2.gz LJEPZSDURZGVJO-UHFFFAOYSA-N -3 3 388.401 1.733 20 0 GDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(CS(C)(=O)=O)cc2)cc1C(=O)[O-] ZINC000515057483 601217510 /nfs/dbraw/zinc/21/75/10/601217510.db2.gz CJLHTPYPOHYZDD-UHFFFAOYSA-N -2 3 387.435 1.309 20 0 GDADHL COC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000831203179 601233964 /nfs/dbraw/zinc/23/39/64/601233964.db2.gz GMABHTMPQAAIPW-MRVPVSSYSA-N -2 3 378.353 1.172 20 0 GDADHL COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000831071658 601239652 /nfs/dbraw/zinc/23/96/52/601239652.db2.gz FIMVCJBHMNIKNK-NSHDSACASA-N -2 3 399.371 1.898 20 0 GDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2nnc3ccccn32)c1F ZINC000833294048 601257656 /nfs/dbraw/zinc/25/76/56/601257656.db2.gz MLTHOOCXQQWPQN-UHFFFAOYSA-N -2 3 382.348 1.227 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c(C)o1 ZINC000431665679 601284894 /nfs/dbraw/zinc/28/48/94/601284894.db2.gz GIWHDTGTMFDFKZ-GFCCVEGCSA-N -2 3 398.412 1.309 20 0 GDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccc(Cl)cc1 ZINC000831079645 601388557 /nfs/dbraw/zinc/38/85/57/601388557.db2.gz XINXVNXMJDCFLR-CYBMUJFWSA-N -2 3 386.813 1.569 20 0 GDADHL CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)o1 ZINC000829881608 601401484 /nfs/dbraw/zinc/40/14/84/601401484.db2.gz PIUQUEHLNGXIPU-UHFFFAOYSA-N -2 3 389.407 1.703 20 0 GDADHL Cc1cnc(C[N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)o1 ZINC000546250904 601440794 /nfs/dbraw/zinc/44/07/94/601440794.db2.gz HUDPDDFIMCZQOT-UHFFFAOYSA-N -2 3 375.200 1.922 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)ccc1F ZINC000831029245 601513624 /nfs/dbraw/zinc/51/36/24/601513624.db2.gz MIOSTUZWTHWGML-UHFFFAOYSA-N -2 3 395.412 1.246 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)ccc1F ZINC000831029374 601674502 /nfs/dbraw/zinc/67/45/02/601674502.db2.gz QPNJDPXIVQMHMH-AWEZNQCLSA-N -2 3 394.380 1.226 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OCC(=O)[O-])c2)ccc1F ZINC000831029426 601675389 /nfs/dbraw/zinc/67/53/89/601675389.db2.gz RPTBSDKGSZCKMQ-UHFFFAOYSA-N -2 3 382.369 1.450 20 0 GDADHL COC[C@@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000271890771 601695602 /nfs/dbraw/zinc/69/56/02/601695602.db2.gz KGSVBABUSOJYHM-MRXNPFEDSA-N -2 3 390.433 1.122 20 0 GDADHL CCCCC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000829321231 601747631 /nfs/dbraw/zinc/74/76/31/601747631.db2.gz ORHZCBINRAQQDW-SECBINFHSA-N -2 3 382.891 1.830 20 0 GDADHL C[C@H](CS(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1)C(=O)[O-] ZINC000827552538 601789300 /nfs/dbraw/zinc/78/93/00/601789300.db2.gz JOCMIMFHFQDYOB-RHSMWYFYSA-N -2 3 390.461 1.877 20 0 GDADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H](CN1CCOCC1)c1ccccc1 ZINC000833345476 601832671 /nfs/dbraw/zinc/83/26/71/601832671.db2.gz TXQHHVHYDWAUNO-CYBMUJFWSA-N -2 3 397.478 1.193 20 0 GDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)cc(F)c1F ZINC000364186584 601835012 /nfs/dbraw/zinc/83/50/12/601835012.db2.gz GSAOSKLUFXGBQC-UHFFFAOYSA-N -2 3 399.310 1.579 20 0 GDADHL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825476507 607534082 /nfs/dbraw/zinc/53/40/82/607534082.db2.gz MDKMCDAENSPIKZ-UHFFFAOYSA-N -2 3 386.437 1.726 20 0 GDADHL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825476507 607534084 /nfs/dbraw/zinc/53/40/84/607534084.db2.gz MDKMCDAENSPIKZ-UHFFFAOYSA-N -2 3 386.437 1.726 20 0 GDADHL COc1cc(OC)cc(OCC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000832095913 602005804 /nfs/dbraw/zinc/00/58/04/602005804.db2.gz OWVPYBUQQOSLSA-UHFFFAOYSA-N -2 3 385.394 1.661 20 0 GDADHL C[C@H]([N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)c1noc(-c2ccccc2)n1 ZINC000827768509 602173148 /nfs/dbraw/zinc/17/31/48/602173148.db2.gz 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GDADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)CC1CCC1 ZINC000826420334 607861005 /nfs/dbraw/zinc/86/10/05/607861005.db2.gz IOUVYKAJGCOHHV-UHFFFAOYSA-N -2 3 381.483 1.346 20 0 GDADHL CC(C)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC000824200359 608011073 /nfs/dbraw/zinc/01/10/73/608011073.db2.gz PFHBPDCNOIGMMK-JTQLQIEISA-N -2 3 393.347 1.273 20 0 GDADHL O=C([O-])C1(NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCCCC1 ZINC000826461094 608011749 /nfs/dbraw/zinc/01/17/49/608011749.db2.gz GCGIDXMCYRTSQP-UHFFFAOYSA-N -2 3 385.833 1.586 20 0 GDADHL O=C([O-])C1(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCCCC1 ZINC000826461094 608011750 /nfs/dbraw/zinc/01/17/50/608011750.db2.gz GCGIDXMCYRTSQP-UHFFFAOYSA-N -2 3 385.833 1.586 20 0 GDADHL O=C(CSCC(F)(F)F)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826420057 608075979 /nfs/dbraw/zinc/07/59/79/608075979.db2.gz WVHTZINUTDAJLN-UHFFFAOYSA-N -2 3 395.388 1.108 20 0 GDADHL O=C(CSCC(F)(F)F)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826420057 608075980 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CCC(CC)(C[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1)C(=O)[O-] ZINC000424394413 532091251 /nfs/dbraw/zinc/09/12/51/532091251.db2.gz SXKQUHRJJHALKM-UHFFFAOYSA-N -2 3 376.500 1.596 20 0 GDADHL Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)n[nH]1 ZINC000285542964 532092372 /nfs/dbraw/zinc/09/23/72/532092372.db2.gz RWCMYPZKJKMCNT-ZCFIWIBFSA-N -2 3 389.231 1.613 20 0 GDADHL COc1nc([N-]C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)n[n-]1 ZINC000272442932 532098359 /nfs/dbraw/zinc/09/83/59/532098359.db2.gz IUBUFJDMAMOGRK-UHFFFAOYSA-N -2 3 385.471 1.548 20 0 GDADHL COc1cc([N-]S(=O)(=O)[C@H]2CCCOC2)c(C(=O)[O-])cc1OC(F)F ZINC000272533208 532103889 /nfs/dbraw/zinc/10/38/89/532103889.db2.gz BKDPFDCXICKWHC-QMMMGPOBSA-N -2 3 381.353 1.916 20 0 GDADHL CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000332148409 532166721 /nfs/dbraw/zinc/16/67/21/532166721.db2.gz OBUYHGQJAPUKEJ-AWEZNQCLSA-N -2 3 394.490 1.273 20 0 GDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCOC2)c(Br)cc1F ZINC000273771065 532169191 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375.809 1.495 20 0 GDADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)[O-] ZINC000275070744 532261209 /nfs/dbraw/zinc/26/12/09/532261209.db2.gz WQMPQZSDBMQFGR-ZETCQYMHSA-N -2 3 389.904 1.440 20 0 GDADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000275364254 532289520 /nfs/dbraw/zinc/28/95/20/532289520.db2.gz XUKIYQCWFBMCBS-VIFPVBQESA-N -2 3 384.307 1.394 20 0 GDADHL COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](Cc1cccnc1)C(=O)[O-] ZINC000275268950 532282559 /nfs/dbraw/zinc/28/25/59/532282559.db2.gz MZKFIZKHECAGOD-NSHDSACASA-N -2 3 384.435 1.152 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c(C)o1 ZINC000431776529 532273716 /nfs/dbraw/zinc/27/37/16/532273716.db2.gz QQMBTLUYRUKSEP-CYBMUJFWSA-N -2 3 386.813 1.705 20 0 GDADHL Cc1nnsc1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000384140836 532296019 /nfs/dbraw/zinc/29/60/19/532296019.db2.gz NMEDIEDHYCHINB-UHFFFAOYSA-N -2 3 392.256 1.786 20 0 GDADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](Cc2cccnc2)C(=O)[O-])c1 ZINC000275372322 532290561 /nfs/dbraw/zinc/29/05/61/532290561.db2.gz YVBWEXDRESTFQD-LBPRGKRZSA-N -2 3 384.841 1.965 20 0 GDADHL C[C@]1(c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])c2)NC(=O)NC1=O ZINC000549722211 450590915 /nfs/dbraw/zinc/59/09/15/450590915.db2.gz PIGQQEQDKCRCSK-MRXNPFEDSA-N -2 3 395.824 1.901 20 0 GDADHL O=C([O-])c1ccc(F)c(NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c1 ZINC000738215364 598842250 /nfs/dbraw/zinc/84/22/50/598842250.db2.gz QQHYRPQOXBLPLT-UHFFFAOYSA-N -2 3 381.320 1.644 20 0 GDADHL O=C1CCc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc2N1 ZINC000738304062 598842267 /nfs/dbraw/zinc/84/22/67/598842267.db2.gz WEDRYTJEAHIYTB-UHFFFAOYSA-N -2 3 388.384 1.691 20 0 GDADHL O=C1CCc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)ccc2N1 ZINC000738304062 598842268 /nfs/dbraw/zinc/84/22/68/598842268.db2.gz WEDRYTJEAHIYTB-UHFFFAOYSA-N -2 3 388.384 1.691 20 0 GDADHL COCCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737014979 598843081 /nfs/dbraw/zinc/84/30/81/598843081.db2.gz 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C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737171697 598845246 /nfs/dbraw/zinc/84/52/46/598845246.db2.gz PDRSRTLERJFZOS-DEOSSOPVSA-N -2 3 381.414 1.544 20 0 GDADHL C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737171697 598845247 /nfs/dbraw/zinc/84/52/47/598845247.db2.gz PDRSRTLERJFZOS-DEOSSOPVSA-N -2 3 381.414 1.544 20 0 GDADHL O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341617 598845921 /nfs/dbraw/zinc/84/59/21/598845921.db2.gz GMNYVFJRRPBFJF-ZDUSSCGKSA-N -2 3 388.409 1.230 20 0 GDADHL O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341617 598845922 /nfs/dbraw/zinc/84/59/22/598845922.db2.gz GMNYVFJRRPBFJF-ZDUSSCGKSA-N -2 3 388.409 1.230 20 0 GDADHL O=C1NCCc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)cc21 ZINC000738317321 598845975 /nfs/dbraw/zinc/84/59/75/598845975.db2.gz CCXSMILSCOXXKS-UHFFFAOYSA-N -2 3 388.384 1.093 20 0 GDADHL O=C1NCCc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)cc21 ZINC000738317321 598845977 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APNJDQSPOFJYMN-UHFFFAOYSA-N -2 3 392.466 1.210 20 0 GDADHL Cc1nc(CCC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737470853 598856205 /nfs/dbraw/zinc/85/62/05/598856205.db2.gz APNJDQSPOFJYMN-UHFFFAOYSA-N -2 3 392.466 1.210 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1nccc2ccccc21 ZINC000738137931 598856606 /nfs/dbraw/zinc/85/66/06/598856606.db2.gz BITDTQKKULEADU-UHFFFAOYSA-N -2 3 380.389 1.534 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1nccc2ccccc21 ZINC000738137931 598856608 /nfs/dbraw/zinc/85/66/08/598856608.db2.gz BITDTQKKULEADU-UHFFFAOYSA-N -2 3 380.389 1.534 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccnn1Cc1ccccn1 ZINC000737301358 598931824 /nfs/dbraw/zinc/93/18/24/598931824.db2.gz KLNRYCBLINETRQ-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccnn1Cc1ccccn1 ZINC000737301358 598931827 /nfs/dbraw/zinc/93/18/27/598931827.db2.gz KLNRYCBLINETRQ-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccn(Cc2ccccn2)n1 ZINC000737300589 598931862 /nfs/dbraw/zinc/93/18/62/598931862.db2.gz CLZZRYGUZIMPMD-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccn(Cc2ccccn2)n1 ZINC000737300589 598931864 /nfs/dbraw/zinc/93/18/64/598931864.db2.gz CLZZRYGUZIMPMD-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000737299960 598977227 /nfs/dbraw/zinc/97/72/27/598977227.db2.gz SOBHHFKSACTJQZ-SMDDNHRTSA-N -2 3 393.469 1.575 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000737299960 598977229 /nfs/dbraw/zinc/97/72/29/598977229.db2.gz SOBHHFKSACTJQZ-SMDDNHRTSA-N -2 3 393.469 1.575 20 0 GDADHL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736878257 599041671 /nfs/dbraw/zinc/04/16/71/599041671.db2.gz BNFHVMFLIRPRLS-UHFFFAOYSA-N -2 3 386.437 1.644 20 0 GDADHL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736878257 599041674 /nfs/dbraw/zinc/04/16/74/599041674.db2.gz BNFHVMFLIRPRLS-UHFFFAOYSA-N -2 3 386.437 1.644 20 0 GDADHL Cc1cc(C)nc(-n2[n-]c(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2=O)n1 ZINC000737255653 599117613 /nfs/dbraw/zinc/11/76/13/599117613.db2.gz BNFSEGSCUFEMSU-UHFFFAOYSA-N -2 3 377.368 1.005 20 0 GDADHL Cc1cc(C)nc(-n2[n-]c(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2=O)n1 ZINC000737255653 599117615 /nfs/dbraw/zinc/11/76/15/599117615.db2.gz BNFSEGSCUFEMSU-UHFFFAOYSA-N -2 3 377.368 1.005 20 0 GDADHL CCS(=O)(=O)[N-]C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736659485 599154196 /nfs/dbraw/zinc/15/41/96/599154196.db2.gz SGTIKGSYJRHTCT-UHFFFAOYSA-N -2 3 387.421 1.525 20 0 GDADHL O=C([O-])C[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000532867808 597104861 /nfs/dbraw/zinc/10/48/61/597104861.db2.gz DCAJZGUAEISLRF-SECBINFHSA-N -2 3 380.875 1.393 20 0 GDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000821342772 607327923 /nfs/dbraw/zinc/32/79/23/607327923.db2.gz GWBRTXMQCCLMSO-UHFFFAOYSA-N -2 3 381.345 1.576 20 0 GDADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737489127 598321087 /nfs/dbraw/zinc/32/10/87/598321087.db2.gz WDUQEPAMPNCZBF-UHFFFAOYSA-N -2 3 396.386 1.230 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Br)o1 ZINC000738140385 598332217 /nfs/dbraw/zinc/33/22/17/598332217.db2.gz UDSPNZVRNVLFBM-UHFFFAOYSA-N -2 3 398.198 1.341 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Br)o1 ZINC000738140385 598332218 /nfs/dbraw/zinc/33/22/18/598332218.db2.gz UDSPNZVRNVLFBM-UHFFFAOYSA-N -2 3 398.198 1.341 20 0 GDADHL CCS[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736663147 598481003 /nfs/dbraw/zinc/48/10/03/598481003.db2.gz BUPUKAKDNXGVRX-CYBMUJFWSA-N -2 3 383.499 1.590 20 0 GDADHL CCS[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736663147 598481004 /nfs/dbraw/zinc/48/10/04/598481004.db2.gz BUPUKAKDNXGVRX-CYBMUJFWSA-N -2 3 383.499 1.590 20 0 GDADHL COc1ccccc1C(C)=CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737140446 598481742 /nfs/dbraw/zinc/48/17/42/598481742.db2.gz DDBQHAZWUCDGMJ-BENRWUELSA-N -2 3 399.432 1.784 20 0 GDADHL COc1ccccc1C(C)=CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737140446 598481744 /nfs/dbraw/zinc/48/17/44/598481744.db2.gz DDBQHAZWUCDGMJ-BENRWUELSA-N -2 3 399.432 1.784 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000736187797 598503532 /nfs/dbraw/zinc/50/35/32/598503532.db2.gz JENQANOSTHXMLY-SNVBAGLBSA-N -2 3 393.363 1.616 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000736187797 598503533 /nfs/dbraw/zinc/50/35/33/598503533.db2.gz JENQANOSTHXMLY-SNVBAGLBSA-N -2 3 393.363 1.616 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000735550773 598564641 /nfs/dbraw/zinc/56/46/41/598564641.db2.gz LEMKTIGDZZAABW-NSHDSACASA-N -2 3 389.412 1.756 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000735550773 598564643 /nfs/dbraw/zinc/56/46/43/598564643.db2.gz LEMKTIGDZZAABW-NSHDSACASA-N -2 3 389.412 1.756 20 0 GDADHL CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736778274 598606644 /nfs/dbraw/zinc/60/66/44/598606644.db2.gz DZVUDYZENJSRFV-UHFFFAOYSA-N -2 3 379.833 1.782 20 0 GDADHL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738216067 598750529 /nfs/dbraw/zinc/75/05/29/598750529.db2.gz WEZSOOQTNSERCR-UHFFFAOYSA-N -3 3 382.308 1.039 20 0 GDADHL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738216067 598750530 /nfs/dbraw/zinc/75/05/30/598750530.db2.gz WEZSOOQTNSERCR-UHFFFAOYSA-N -3 3 382.308 1.039 20 0 GDADHL O=C1NCCCN1c1cccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000823547559 599307451 /nfs/dbraw/zinc/30/74/51/599307451.db2.gz KDNNIXRHKKXFSO-UHFFFAOYSA-N -2 3 399.436 1.587 20 0 GDADHL O=C1NCCCN1c1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000823547559 599307454 /nfs/dbraw/zinc/30/74/54/599307454.db2.gz KDNNIXRHKKXFSO-UHFFFAOYSA-N -2 3 399.436 1.587 20 0 GDADHL Cn1nc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737619592 599324886 /nfs/dbraw/zinc/32/48/86/599324886.db2.gz WKXMEJBLLNXDKB-UHFFFAOYSA-N -2 3 382.409 1.463 20 0 GDADHL Cn1nc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737619592 599324889 /nfs/dbraw/zinc/32/48/89/599324889.db2.gz WKXMEJBLLNXDKB-UHFFFAOYSA-N -2 3 382.409 1.463 20 0 GDADHL O=C1C[C@@H](c2cccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)c2)CN1 ZINC000823521608 607378192 /nfs/dbraw/zinc/37/81/92/607378192.db2.gz XSIYCYWDGPRVFD-GFCCVEGCSA-N -2 3 384.421 1.271 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C(N)=O)cc1F ZINC000737281672 599471313 /nfs/dbraw/zinc/47/13/13/599471313.db2.gz VSRWVBQNYLFTNJ-UHFFFAOYSA-N -2 3 376.373 1.214 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C(N)=O)cc1F ZINC000737281672 599471315 /nfs/dbraw/zinc/47/13/15/599471315.db2.gz VSRWVBQNYLFTNJ-UHFFFAOYSA-N -2 3 376.373 1.214 20 0 GDADHL O=S(=O)([N-]c1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)c1c[nH]cn1 ZINC000738342175 599471399 /nfs/dbraw/zinc/47/13/99/599471399.db2.gz NQCWYWDHUDKFOE-UHFFFAOYSA-N -2 3 384.381 1.578 20 0 GDADHL O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822922303 599620094 /nfs/dbraw/zinc/62/00/94/599620094.db2.gz FJDDPBYBKMOOSS-ZZXKWVIFSA-N -2 3 387.343 1.657 20 0 GDADHL O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822922303 599620095 /nfs/dbraw/zinc/62/00/95/599620095.db2.gz FJDDPBYBKMOOSS-ZZXKWVIFSA-N -2 3 387.343 1.657 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cnc2ccsc2c1 ZINC000823284080 599620166 /nfs/dbraw/zinc/62/01/66/599620166.db2.gz BWLUTMUSVXJAFY-UHFFFAOYSA-N -2 3 386.418 1.595 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cnc2ccsc2c1 ZINC000823284080 599620167 /nfs/dbraw/zinc/62/01/67/599620167.db2.gz BWLUTMUSVXJAFY-UHFFFAOYSA-N -2 3 386.418 1.595 20 0 GDADHL C[C@@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)O1 ZINC000820691824 599621517 /nfs/dbraw/zinc/62/15/17/599621517.db2.gz ZSHIIFSKRWMQHU-RISCZKNCSA-N -2 3 379.442 1.160 20 0 GDADHL C[C@@H]1CC[C@@H](CCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC000820691824 599621518 /nfs/dbraw/zinc/62/15/18/599621518.db2.gz ZSHIIFSKRWMQHU-RISCZKNCSA-N -2 3 379.442 1.160 20 0 GDADHL C[C@@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)O1 ZINC000820691820 599621667 /nfs/dbraw/zinc/62/16/67/599621667.db2.gz ZSHIIFSKRWMQHU-BXUZGUMPSA-N -2 3 379.442 1.160 20 0 GDADHL C[C@@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC000820691820 599621668 /nfs/dbraw/zinc/62/16/68/599621668.db2.gz ZSHIIFSKRWMQHU-BXUZGUMPSA-N -2 3 379.442 1.160 20 0 GDADHL CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000819788110 599689332 /nfs/dbraw/zinc/68/93/32/599689332.db2.gz BFNAMHPEUWIGRJ-UHFFFAOYSA-N -2 3 390.400 1.789 20 0 GDADHL CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000819788110 599689333 /nfs/dbraw/zinc/68/93/33/599689333.db2.gz BFNAMHPEUWIGRJ-UHFFFAOYSA-N -2 3 390.400 1.789 20 0 GDADHL O=S(=O)([N-]CCCc1ccccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573288 607389543 /nfs/dbraw/zinc/38/95/43/607389543.db2.gz TZIBEIOAJAQUMP-UHFFFAOYSA-N -2 3 380.380 1.451 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CN(Cc3ccccc3)CCO2)o1 ZINC000311974433 599768578 /nfs/dbraw/zinc/76/85/78/599768578.db2.gz BVEGYIUUCMGHIQ-CQSZACIVSA-N -2 3 380.422 1.157 20 0 GDADHL COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Cc1cccc(C)c1 ZINC000737578893 599778958 /nfs/dbraw/zinc/77/89/58/599778958.db2.gz PJESQRYMFDPJMX-CYBMUJFWSA-N -2 3 381.406 1.596 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000826249762 607397526 /nfs/dbraw/zinc/39/75/26/607397526.db2.gz TWBRSPALZIPWCH-UHFFFAOYSA-N -2 3 383.433 1.783 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000826249762 607397527 /nfs/dbraw/zinc/39/75/27/607397527.db2.gz TWBRSPALZIPWCH-UHFFFAOYSA-N -2 3 383.433 1.783 20 0 GDADHL CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)ccc21 ZINC000517923288 599854202 /nfs/dbraw/zinc/85/42/02/599854202.db2.gz DANWMOAGBVLKOR-UHFFFAOYSA-N -2 3 390.417 1.860 20 0 GDADHL O=C([O-])CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000739741836 599875004 /nfs/dbraw/zinc/87/50/04/599875004.db2.gz HHUPGTNUAICPGI-UHFFFAOYSA-N -2 3 390.483 1.468 20 0 GDADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(-n2cnnn2)ccc1F ZINC000369089489 599905748 /nfs/dbraw/zinc/90/57/48/599905748.db2.gz ISXHDNZZLUQGGJ-UHFFFAOYSA-N -2 3 377.357 1.609 20 0 GDADHL CCOC(=O)c1sc2[n-]c([C@H](C)N3CCO[C@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000737158055 599978204 /nfs/dbraw/zinc/97/82/04/599978204.db2.gz ZNGWVIGVWRENIO-UWVGGRQHSA-N -2 3 395.437 1.316 20 0 GDADHL C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000736821710 600161611 /nfs/dbraw/zinc/16/16/11/600161611.db2.gz FAGIECSEHMLYIF-CQSZACIVSA-N -2 3 397.431 1.558 20 0 GDADHL O=C([O-])CCc1nc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])no1 ZINC000739766896 600189068 /nfs/dbraw/zinc/18/90/68/600189068.db2.gz NFVXHNNKCBRPHJ-LBPRGKRZSA-N -2 3 389.364 1.140 20 0 GDADHL Cc1nc([N-]C(=O)c2sccc2S(=O)(=O)N(C)C)sc1C(=O)[O-] ZINC000738358314 600191611 /nfs/dbraw/zinc/19/16/11/600191611.db2.gz AKCINPJMGLOFCB-UHFFFAOYSA-N -2 3 375.453 1.714 20 0 GDADHL O=C([O-])c1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)o1 ZINC000739439288 600476203 /nfs/dbraw/zinc/47/62/03/600476203.db2.gz LTCFVOIQIHDANO-UHFFFAOYSA-N -2 3 382.369 1.488 20 0 GDADHL CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1C ZINC000042796157 600542656 /nfs/dbraw/zinc/54/26/56/600542656.db2.gz ZGPMAXGDBYNUIL-UHFFFAOYSA-N -2 3 378.406 1.862 20 0 GDADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000521526581 600545056 /nfs/dbraw/zinc/54/50/56/600545056.db2.gz XLSDAKIBUPNAOX-UHFFFAOYSA-N -2 3 394.405 1.319 20 0 GDADHL O=S(=O)(C=Cc1cccc(Br)c1)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826484182 607462477 /nfs/dbraw/zinc/46/24/77/607462477.db2.gz RDICJCDQDCOUQC-SNAWJCMRSA-N -2 3 396.230 1.765 20 0 GDADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)o1 ZINC000273677850 600762252 /nfs/dbraw/zinc/76/22/52/600762252.db2.gz KKRMJFRITDSTHC-HNNXBMFYSA-N -2 3 383.422 1.971 20 0 GDADHL CC(C)(CC(=O)[O-])NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000736307662 600789980 /nfs/dbraw/zinc/78/99/80/600789980.db2.gz HSAMNQQQNCMOCS-UHFFFAOYSA-N -2 3 399.288 1.158 20 0 GDADHL CC(C)C[C@@H](CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000736404604 600923148 /nfs/dbraw/zinc/92/31/48/600923148.db2.gz XADOLVQTCNPIFT-LBPRGKRZSA-N -2 3 386.445 1.743 20 0 GDADHL Cc1nc(C)c(CC(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c(=O)[n-]1 ZINC000832994564 601110932 /nfs/dbraw/zinc/11/09/32/601110932.db2.gz LEHFZQGHVKCMMX-GFCCVEGCSA-N -2 3 390.421 1.023 20 0 GDADHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(C)c(=O)cc1C ZINC000831470001 601234656 /nfs/dbraw/zinc/23/46/56/601234656.db2.gz BCRSRBDKGRLJPL-UHFFFAOYSA-N -2 3 386.407 1.041 20 0 GDADHL CNC(=O)c1cccc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000831015837 601238499 /nfs/dbraw/zinc/23/84/99/601238499.db2.gz JVZSHEOMTFIATP-UHFFFAOYSA-N -2 3 398.387 1.544 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])c(C)o1 ZINC000262982291 601284807 /nfs/dbraw/zinc/28/48/07/601284807.db2.gz RGAVUMKYXZXAGE-CQSZACIVSA-N -2 3 394.449 1.478 20 0 GDADHL Cc1cc(N2CCC([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2)nc(C)n1 ZINC000832890073 601379233 /nfs/dbraw/zinc/37/92/33/601379233.db2.gz TVCYJHJWRYHRCN-UHFFFAOYSA-N -2 3 380.426 1.332 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2=O)o1 ZINC000833323257 601443496 /nfs/dbraw/zinc/44/34/96/601443496.db2.gz MWASCQKEYZQOSH-LLVKDONJSA-N -2 3 384.797 1.715 20 0 GDADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)cc1Cl ZINC000776576699 601613096 /nfs/dbraw/zinc/61/30/96/601613096.db2.gz CXWXYUGDRFEXEK-LLVKDONJSA-N -2 3 378.809 1.969 20 0 GDADHL C[N-]S(=O)(=O)c1cc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)ccc1F ZINC000831029589 601623814 /nfs/dbraw/zinc/62/38/14/601623814.db2.gz 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CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])cc1F ZINC000274874056 532238561 /nfs/dbraw/zinc/23/85/61/532238561.db2.gz BFLBOLCKLJJGAU-VIFPVBQESA-N -2 3 382.435 1.119 20 0 GDADHL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCSC)C(=O)[O-])c1 ZINC000275093243 532264259 /nfs/dbraw/zinc/26/42/59/532264259.db2.gz PLAWPHSNFRJUPR-SNVBAGLBSA-N -2 3 381.859 1.611 20 0 GDADHL CC(C)CN(CCC(=O)[O-])S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000275193494 532275302 /nfs/dbraw/zinc/27/53/02/532275302.db2.gz ZZPPZRCNOXDATJ-UHFFFAOYSA-N -2 3 396.462 1.319 20 0 GDADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])s1 ZINC000275225288 532278986 /nfs/dbraw/zinc/27/89/86/532278986.db2.gz IYNPDKJBNRCEBW-SSDOTTSWSA-N -2 3 375.346 1.148 20 0 GDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])s1 ZINC000275289743 532284177 /nfs/dbraw/zinc/28/41/77/532284177.db2.gz TYTGFEMKYYFDMS-QMMMGPOBSA-N -2 3 379.456 1.711 20 0 GDADHL CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1 ZINC000392722007 532300264 /nfs/dbraw/zinc/30/02/64/532300264.db2.gz GLVOKQPZAZWAQG-UHFFFAOYSA-N -2 3 388.398 1.233 20 0 GDADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000275358260 532289998 /nfs/dbraw/zinc/28/99/98/532289998.db2.gz XBWPJAFVTMLFDA-UHFFFAOYSA-N -2 3 396.277 1.993 20 0 GDADHL Cc1nc(CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000737472203 598856250 /nfs/dbraw/zinc/85/62/50/598856250.db2.gz RLOWISDITOTHIX-UHFFFAOYSA-N -2 3 378.439 1.069 20 0 GDADHL Cc1nc(CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000737472203 598856251 /nfs/dbraw/zinc/85/62/51/598856251.db2.gz RLOWISDITOTHIX-UHFFFAOYSA-N -2 3 378.439 1.069 20 0 GDADHL O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)CC1CC1 ZINC000737832290 598857388 /nfs/dbraw/zinc/85/73/88/598857388.db2.gz IVICIVBGQTXQCL-UHFFFAOYSA-N -2 3 379.442 1.272 20 0 GDADHL O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)CC1CC1 ZINC000737832290 598857389 /nfs/dbraw/zinc/85/73/89/598857389.db2.gz IVICIVBGQTXQCL-UHFFFAOYSA-N -2 3 379.442 1.272 20 0 GDADHL CCCCSCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736462490 598909236 /nfs/dbraw/zinc/90/92/36/598909236.db2.gz GTUKPCIFHWLMDY-UHFFFAOYSA-N -2 3 383.499 1.736 20 0 GDADHL CCCCSCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736462490 598909237 /nfs/dbraw/zinc/90/92/37/598909237.db2.gz GTUKPCIFHWLMDY-UHFFFAOYSA-N -2 3 383.499 1.736 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccn(Cc2ccncc2)n1 ZINC000737301979 598931911 /nfs/dbraw/zinc/93/19/11/598931911.db2.gz ZLPKMWPVUDKTGH-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccn(Cc2ccncc2)n1 ZINC000737301979 598931913 /nfs/dbraw/zinc/93/19/13/598931913.db2.gz ZLPKMWPVUDKTGH-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735460068 598949424 /nfs/dbraw/zinc/94/94/24/598949424.db2.gz CPLGVVZHKGSGSY-UHFFFAOYSA-N -2 3 386.437 1.959 20 0 GDADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000820154909 607254747 /nfs/dbraw/zinc/25/47/47/607254747.db2.gz CKOSEIAKWYLMLU-UHFFFAOYSA-N -2 3 397.848 1.842 20 0 GDADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n(-c2ccccn2)n1 ZINC000737280027 598968522 /nfs/dbraw/zinc/96/85/22/598968522.db2.gz JBRLGAYSPUSWQD-UHFFFAOYSA-N -2 3 396.436 1.865 20 0 GDADHL Cc1cccc(OCC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737400385 598975485 /nfs/dbraw/zinc/97/54/85/598975485.db2.gz AXNVZZOMSDSKQA-UHFFFAOYSA-N -2 3 387.421 1.367 20 0 GDADHL Cc1cccc(OCC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737400385 598975486 /nfs/dbraw/zinc/97/54/86/598975486.db2.gz AXNVZZOMSDSKQA-UHFFFAOYSA-N -2 3 387.421 1.367 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)C2CC2)nc1 ZINC000737225408 599029757 /nfs/dbraw/zinc/02/97/57/599029757.db2.gz NASBSAMTMZCCOC-UHFFFAOYSA-N -2 3 399.436 1.719 20 0 GDADHL O=S(=O)([N-]c1ncn(Cc2ccccc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000738340522 598333534 /nfs/dbraw/zinc/33/35/34/598333534.db2.gz XCFSSDKIKRCFQC-UHFFFAOYSA-N -2 3 382.409 1.307 20 0 GDADHL O=S(=O)([N-]c1ncn(Cc2ccccc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000738340522 598333535 /nfs/dbraw/zinc/33/35/35/598333535.db2.gz XCFSSDKIKRCFQC-UHFFFAOYSA-N -2 3 382.409 1.307 20 0 GDADHL CC(C)c1nc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735939601 598362700 /nfs/dbraw/zinc/36/27/00/598362700.db2.gz LMOGGUAKIAFTDL-UHFFFAOYSA-N -2 3 378.439 1.565 20 0 GDADHL CC(C)c1nc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735939601 598362702 /nfs/dbraw/zinc/36/27/02/598362702.db2.gz LMOGGUAKIAFTDL-UHFFFAOYSA-N -2 3 378.439 1.565 20 0 GDADHL CCOc1ccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736651527 598492267 /nfs/dbraw/zinc/49/22/67/598492267.db2.gz PCGCIUKFGAHYML-HHHXNRCGSA-N -2 3 385.449 1.689 20 0 GDADHL COc1cccc(S([O-])=CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737139990 598492507 /nfs/dbraw/zinc/49/25/07/598492507.db2.gz AIKMWFBUWFMWFP-JWNZJDHWSA-N -2 3 385.449 1.860 20 0 GDADHL O=S(=O)([N-]c1cnc(-c2cccc(O)c2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738338602 598505625 /nfs/dbraw/zinc/50/56/25/598505625.db2.gz GPYCSESIZZPIEV-UHFFFAOYSA-N -2 3 395.404 1.830 20 0 GDADHL O=S(=O)([N-]c1cnc(-c2cccc(O)c2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738338602 598505627 /nfs/dbraw/zinc/50/56/27/598505627.db2.gz GPYCSESIZZPIEV-UHFFFAOYSA-N -2 3 395.404 1.830 20 0 GDADHL O=C(Nc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1)C1CC1 ZINC000738174496 598567300 /nfs/dbraw/zinc/56/73/00/598567300.db2.gz SAEGHULGDQTHPV-UHFFFAOYSA-N -2 3 385.409 1.411 20 0 GDADHL COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1O ZINC000736948284 598627377 /nfs/dbraw/zinc/62/73/77/598627377.db2.gz MUZSVJXKLVUJKG-UHFFFAOYSA-N -2 3 375.366 1.160 20 0 GDADHL COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000736948284 598627379 /nfs/dbraw/zinc/62/73/79/598627379.db2.gz MUZSVJXKLVUJKG-UHFFFAOYSA-N -2 3 375.366 1.160 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H]1CCOc2ccccc21 ZINC000738139035 598642525 /nfs/dbraw/zinc/64/25/25/598642525.db2.gz 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O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1coc(-c2ccccc2)n1 ZINC000738140838 599616777 /nfs/dbraw/zinc/61/67/77/599616777.db2.gz XJADMKFJZJAXBO-UHFFFAOYSA-N -2 3 396.388 1.640 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1coc(-c2ccccc2)n1 ZINC000738140838 599616778 /nfs/dbraw/zinc/61/67/78/599616778.db2.gz XJADMKFJZJAXBO-UHFFFAOYSA-N -2 3 396.388 1.640 20 0 GDADHL O=C(CCC1CCOCC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822950302 599620256 /nfs/dbraw/zinc/62/02/56/599620256.db2.gz JDPRRUJRJXJLSM-UHFFFAOYSA-N -2 3 379.442 1.020 20 0 GDADHL O=C(CCC1CCOCC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822950302 599620257 /nfs/dbraw/zinc/62/02/57/599620257.db2.gz JDPRRUJRJXJLSM-UHFFFAOYSA-N -2 3 379.442 1.020 20 0 GDADHL O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000822923288 599621181 /nfs/dbraw/zinc/62/11/81/599621181.db2.gz PNYYOHBDOXSUQA-ZZXKWVIFSA-N -2 3 387.343 1.657 20 0 GDADHL O=C(C=CC1CC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000822923288 599621182 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605192688 /nfs/dbraw/zinc/19/26/88/605192688.db2.gz BOLWIHMADQYTRG-ZDUSSCGKSA-N -2 3 384.410 1.231 20 0 GDADHL CC(C)(C)OC(=O)N1CCC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000833436075 605198921 /nfs/dbraw/zinc/19/89/21/605198921.db2.gz CQNYNBNWMCFPSA-UHFFFAOYSA-N -2 3 388.442 1.903 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccccc1Br)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450231 607776930 /nfs/dbraw/zinc/77/69/30/607776930.db2.gz CAZDLNDMVGSOFC-UHFFFAOYSA-N -2 3 397.214 1.076 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccccc1Br)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450231 607776931 /nfs/dbraw/zinc/77/69/31/607776931.db2.gz CAZDLNDMVGSOFC-UHFFFAOYSA-N -2 3 397.214 1.076 20 0 GDADHL C[C@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833515547 605299427 /nfs/dbraw/zinc/29/94/27/605299427.db2.gz TVRPZBXJLXHKRU-MRVPVSSYSA-N -2 3 379.460 1.423 20 0 GDADHL CC(C)(C)OC(=O)N1CC[C@@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000833436579 605420277 /nfs/dbraw/zinc/42/02/77/605420277.db2.gz KYAFDDRTCQILGQ-VIFPVBQESA-N -2 3 391.471 1.377 20 0 GDADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CO[C@H]3CCCN(C(=O)[O-])C3)cc2)n1 ZINC000829893057 605668360 /nfs/dbraw/zinc/66/83/60/605668360.db2.gz CVGOWTONXWEBKH-HNNXBMFYSA-N -2 3 386.408 1.843 20 0 GDADHL O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000834089341 605874181 /nfs/dbraw/zinc/87/41/81/605874181.db2.gz ROLMBORIQDQRTB-OAHLLOKOSA-N -2 3 387.436 1.457 20 0 GDADHL CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000821342801 606210013 /nfs/dbraw/zinc/21/00/13/606210013.db2.gz HWNYPBYYAOGMKE-UHFFFAOYSA-N -2 3 389.393 1.550 20 0 GDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1C(=O)N(C)C ZINC000822258889 606212220 /nfs/dbraw/zinc/21/22/20/606212220.db2.gz GJRPKAJPDPFIDB-UHFFFAOYSA-N -2 3 387.425 1.073 20 0 GDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1C(=O)N(C)C ZINC000822258889 606212221 /nfs/dbraw/zinc/21/22/21/606212221.db2.gz GJRPKAJPDPFIDB-UHFFFAOYSA-N -2 3 387.425 1.073 20 0 GDADHL O=C(COC(=O)c1cc(F)c([O-])c(F)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823027320 606311398 /nfs/dbraw/zinc/31/13/98/606311398.db2.gz QYXIPMPUHLSYAI-UHFFFAOYSA-N -2 3 375.291 1.646 20 0 GDADHL O=C(COC(=O)c1cc(F)c([O-])c(F)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823027320 606311399 /nfs/dbraw/zinc/31/13/99/606311399.db2.gz QYXIPMPUHLSYAI-UHFFFAOYSA-N -2 3 375.291 1.646 20 0 GDADHL C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000820649652 606707248 /nfs/dbraw/zinc/70/72/48/606707248.db2.gz NNWWPRUZJHGMSZ-QWRGUYRKSA-N -2 3 382.494 1.453 20 0 GDADHL C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000820649652 606707250 /nfs/dbraw/zinc/70/72/50/606707250.db2.gz NNWWPRUZJHGMSZ-QWRGUYRKSA-N -2 3 382.494 1.453 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cc1ccc(F)cc1F ZINC000822223720 606749411 /nfs/dbraw/zinc/74/94/11/606749411.db2.gz HSKACTWTVJZFIF-UHFFFAOYSA-N -2 3 393.375 1.501 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cc1ccc(F)cc1F ZINC000822223720 606749413 /nfs/dbraw/zinc/74/94/13/606749413.db2.gz HSKACTWTVJZFIF-UHFFFAOYSA-N -2 3 393.375 1.501 20 0 GDADHL C[C@@H](Sc1ccccn1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820555460 606799750 /nfs/dbraw/zinc/79/97/50/606799750.db2.gz LKDCJFRAQBMQAL-SNVBAGLBSA-N -2 3 390.450 1.247 20 0 GDADHL C[C@@H](Sc1ccccn1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820555460 606799752 /nfs/dbraw/zinc/79/97/52/606799752.db2.gz LKDCJFRAQBMQAL-SNVBAGLBSA-N -2 3 390.450 1.247 20 0 GDADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000821589685 606820204 /nfs/dbraw/zinc/82/02/04/606820204.db2.gz YUGPQAZIIKLUOT-UHFFFAOYSA-N -2 3 379.833 1.782 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)ccc1Cl ZINC000821667908 606858720 /nfs/dbraw/zinc/85/87/20/606858720.db2.gz GHIGHMPAHJOXNK-UHFFFAOYSA-N -2 3 394.800 1.503 20 0 GDADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1C ZINC000821666890 606866195 /nfs/dbraw/zinc/86/61/95/606866195.db2.gz LBASARRDPDNYGY-UHFFFAOYSA-N -2 3 391.384 1.902 20 0 GDADHL O=S(=O)([N-]Cc1cccc2c1OCO2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578172 606887367 /nfs/dbraw/zinc/88/73/67/606887367.db2.gz JFCKEBIMEFZCLX-UHFFFAOYSA-N -2 3 395.347 1.352 20 0 GDADHL CCCC[C@H](COC)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821042614 606892181 /nfs/dbraw/zinc/89/21/81/606892181.db2.gz GEBMIMBPLLRDPG-SNVBAGLBSA-N -2 3 375.401 1.628 20 0 GDADHL CCCC[C@@H](COC)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821042612 606892257 /nfs/dbraw/zinc/89/22/57/606892257.db2.gz GEBMIMBPLLRDPG-JTQLQIEISA-N -2 3 375.401 1.628 20 0 GDADHL O=C(COC/C=C\c1ccccc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823031942 606917774 /nfs/dbraw/zinc/91/77/74/606917774.db2.gz KNWCSGGCPFVQAE-DAXSKMNVSA-N -2 3 399.432 1.402 20 0 GDADHL O=C(COC/C=C\c1ccccc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823031942 606917775 /nfs/dbraw/zinc/91/77/75/606917775.db2.gz KNWCSGGCPFVQAE-DAXSKMNVSA-N -2 3 399.432 1.402 20 0 GDADHL O=C(COC/C=C\c1ccccc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823032323 606918114 /nfs/dbraw/zinc/91/81/14/606918114.db2.gz PRWZRBWPYDSLKM-YVMONPNESA-N -2 3 399.432 1.402 20 0 GDADHL O=C(COC/C=C\c1ccccc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823032323 606918115 /nfs/dbraw/zinc/91/81/15/606918115.db2.gz PRWZRBWPYDSLKM-YVMONPNESA-N -2 3 399.432 1.402 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000820543163 607105844 /nfs/dbraw/zinc/10/58/44/607105844.db2.gz VLIFCSHCWONVCP-SJKOYZFVSA-N -2 3 393.403 1.845 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000820543163 607105846 /nfs/dbraw/zinc/10/58/46/607105846.db2.gz VLIFCSHCWONVCP-SJKOYZFVSA-N -2 3 393.403 1.845 20 0 GDADHL Cc1nc(SCC(=O)NCCCCC(=O)[O-])c(-c2nnn[n-]2)c(C)c1C ZINC000822452922 607110701 /nfs/dbraw/zinc/11/07/01/607110701.db2.gz CAQOFGWMLISLSO-UHFFFAOYSA-N -2 3 378.458 1.650 20 0 GDADHL Cc1nc(SCC(=O)NCCCCC(=O)[O-])c(-c2nn[n-]n2)c(C)c1C ZINC000822452922 607110703 /nfs/dbraw/zinc/11/07/03/607110703.db2.gz CAQOFGWMLISLSO-UHFFFAOYSA-N -2 3 378.458 1.650 20 0 GDADHL COCCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n(C)n1 ZINC000821694200 607122282 /nfs/dbraw/zinc/12/22/82/607122282.db2.gz CBAVTROQTKDQQH-UHFFFAOYSA-N -2 3 397.848 1.243 20 0 GDADHL COCCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n(C)n1 ZINC000821694200 607122283 /nfs/dbraw/zinc/12/22/83/607122283.db2.gz CBAVTROQTKDQQH-UHFFFAOYSA-N -2 3 397.848 1.243 20 0 GDADHL O=C(C=CSCc1ccco1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822922654 607130885 /nfs/dbraw/zinc/13/08/85/607130885.db2.gz IMEJEIXQTZXCPH-VQHVLOKHSA-N -2 3 391.434 1.712 20 0 GDADHL O=C(C=CSCc1ccco1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822922654 607130887 /nfs/dbraw/zinc/13/08/87/607130887.db2.gz IMEJEIXQTZXCPH-VQHVLOKHSA-N -2 3 391.434 1.712 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CSCCS1 ZINC000826279735 607778651 /nfs/dbraw/zinc/77/86/51/607778651.db2.gz ZVXFYYHZJMJDSH-LLVKDONJSA-N -2 3 399.523 1.219 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CSCCS1 ZINC000826279735 607778652 /nfs/dbraw/zinc/77/86/52/607778652.db2.gz ZVXFYYHZJMJDSH-LLVKDONJSA-N -2 3 399.523 1.219 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccc2c1oc(=O)n2C ZINC000826280052 607809740 /nfs/dbraw/zinc/80/97/40/607809740.db2.gz MDXZOTRSFYQAMY-UHFFFAOYSA-N -2 3 386.393 1.421 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cncc(-c2nncn2C)c1 ZINC000826256061 607816343 /nfs/dbraw/zinc/81/63/43/607816343.db2.gz SYQXOCQZYOCBMK-UHFFFAOYSA-N -2 3 397.424 1.166 20 0 GDADHL O=C([O-])c1cccc(NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000826461840 607827810 /nfs/dbraw/zinc/82/78/10/607827810.db2.gz HZXYBOQMDCQLJT-UHFFFAOYSA-N -2 3 377.357 1.646 20 0 GDADHL O=C([O-])c1cccc(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826461840 607827811 /nfs/dbraw/zinc/82/78/11/607827811.db2.gz HZXYBOQMDCQLJT-UHFFFAOYSA-N -2 3 377.357 1.646 20 0 GDADHL O=S(=O)([N-]c1nc(-c2cccnc2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000826493216 607881744 /nfs/dbraw/zinc/88/17/44/607881744.db2.gz ZIIOZJPOHWZALY-UHFFFAOYSA-N -2 3 386.422 1.581 20 0 GDADHL O=S(=O)([N-]c1nc(-c2cccnc2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000826493216 607881745 /nfs/dbraw/zinc/88/17/45/607881745.db2.gz ZIIOZJPOHWZALY-UHFFFAOYSA-N -2 3 386.422 1.581 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000826255666 608010259 /nfs/dbraw/zinc/01/02/59/608010259.db2.gz GNNCMRHVCAORLB-CQSZACIVSA-N -2 3 387.421 1.669 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000826255666 608010260 /nfs/dbraw/zinc/01/02/60/608010260.db2.gz GNNCMRHVCAORLB-CQSZACIVSA-N -2 3 387.421 1.669 20 0 GDADHL CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)[O-] ZINC000824201017 608010619 /nfs/dbraw/zinc/01/06/19/608010619.db2.gz WQHVYKNLIFHGFQ-SNVBAGLBSA-N -2 3 393.347 1.273 20 0 GDADHL CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)[O-] ZINC000824201017 608010620 /nfs/dbraw/zinc/01/06/20/608010620.db2.gz WQHVYKNLIFHGFQ-SNVBAGLBSA-N -2 3 393.347 1.273 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1scnc1C1CC1 ZINC000826278955 608039941 /nfs/dbraw/zinc/03/99/41/608039941.db2.gz AESWTORDVJWYHY-UHFFFAOYSA-N -2 3 390.450 1.628 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1scnc1C1CC1 ZINC000826278955 608039942 /nfs/dbraw/zinc/03/99/42/608039942.db2.gz AESWTORDVJWYHY-UHFFFAOYSA-N -2 3 390.450 1.628 20 0 GDADHL CC(C)COC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824267072 608110805 /nfs/dbraw/zinc/11/08/05/608110805.db2.gz WXCRODAZGGTRNH-QMMMGPOBSA-N -2 3 389.384 1.011 20 0 GDADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(Br)c(F)c1 ZINC000826492339 608307418 /nfs/dbraw/zinc/30/74/18/608307418.db2.gz FPQQTUOWARNYMV-UHFFFAOYSA-N -2 3 388.182 1.292 20 0 GDADHL Cc1c([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cccc1-c1nn[n-]n1 ZINC000826242909 608394054 /nfs/dbraw/zinc/39/40/54/608394054.db2.gz LPXVCZBIIITWQF-UHFFFAOYSA-N -2 3 389.441 1.016 20 0 GDADHL CS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826224078 608415656 /nfs/dbraw/zinc/41/56/56/608415656.db2.gz NIAVUJNOSDPOEO-UHFFFAOYSA-N -2 3 397.413 1.210 20 0 GDADHL CS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826224078 608415657 /nfs/dbraw/zinc/41/56/57/608415657.db2.gz NIAVUJNOSDPOEO-UHFFFAOYSA-N -2 3 397.413 1.210 20 0 GDADHL CCS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825668400 608416823 /nfs/dbraw/zinc/41/68/23/608416823.db2.gz FMABTNIUKUATGH-UHFFFAOYSA-N -2 3 393.450 1.461 20 0 GDADHL CCS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825668400 608416825 /nfs/dbraw/zinc/41/68/25/608416825.db2.gz FMABTNIUKUATGH-UHFFFAOYSA-N -2 3 393.450 1.461 20 0 GDADHL O=C(Cc1cccc(F)c1F)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826423598 608473869 /nfs/dbraw/zinc/47/38/69/608473869.db2.gz XJCZKVRPALKPNP-UHFFFAOYSA-N -2 3 379.348 1.193 20 0 GDADHL O=C(Cc1cccc(F)c1F)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826423598 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376.398 1.101 20 0 GDADHL CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000824333829 946663025 /nfs/dbraw/zinc/66/30/25/946663025.db2.gz NMQLZJYAZSTPLT-UHFFFAOYSA-N -2 3 376.398 1.101 20 0 GDADHL C[C@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824470162 946720099 /nfs/dbraw/zinc/72/00/99/946720099.db2.gz FWTFMLHIAGHDTJ-NSHDSACASA-N -2 3 375.392 1.587 20 0 GDADHL C[C@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824470162 946720107 /nfs/dbraw/zinc/72/01/07/946720107.db2.gz FWTFMLHIAGHDTJ-NSHDSACASA-N -2 3 375.392 1.587 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c(C)o1 ZINC000826272347 947789793 /nfs/dbraw/zinc/78/97/93/947789793.db2.gz FIAVRFUSIAAHDW-NSHDSACASA-N -2 3 391.409 1.349 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c(C)o1 ZINC000826272347 947789801 /nfs/dbraw/zinc/78/98/01/947789801.db2.gz FIAVRFUSIAAHDW-NSHDSACASA-N -2 3 391.409 1.349 20 0 GDADHL Cn1cnc(-c2cccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)c2)n1 ZINC000826364765 948141871 /nfs/dbraw/zinc/14/18/71/948141871.db2.gz KFDMJJNOEKXALB-UHFFFAOYSA-N -2 3 382.409 1.463 20 0 GDADHL CC(C)(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1nc(=O)o[n-]1 ZINC001573823809 949833705 /nfs/dbraw/zinc/83/37/05/949833705.db2.gz ZEUMUFITWMADND-JTQLQIEISA-N -2 3 377.792 1.714 20 0 GDADHL CC(C)(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc(=O)o[n-]1 ZINC001573823809 949833729 /nfs/dbraw/zinc/83/37/29/949833729.db2.gz ZEUMUFITWMADND-JTQLQIEISA-N -2 3 377.792 1.714 20 0 GDADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)c2)[n-]1 ZINC001591279249 951115700 /nfs/dbraw/zinc/11/57/00/951115700.db2.gz JPCYLCFSBMNPIK-JOCQHMNTSA-N -2 3 387.396 1.311 20 0 GDADHL CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@H]3C[C@H](C(=O)[O-])C3)c2)n[n-]1 ZINC001591279249 951115711 /nfs/dbraw/zinc/11/57/11/951115711.db2.gz JPCYLCFSBMNPIK-JOCQHMNTSA-N -2 3 387.396 1.311 20 0 GDADHL 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O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-n3cnnn3)ccc2F)cc1F ZINC000539191257 974393667 /nfs/dbraw/zinc/39/36/67/974393667.db2.gz KRJSVAGHWQZMBE-UHFFFAOYSA-N -2 3 381.320 1.440 20 0 GDADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000562227224 974505331 /nfs/dbraw/zinc/50/53/31/974505331.db2.gz SLZIGQUPNNAJOC-UHFFFAOYSA-N -2 3 378.406 1.239 20 0 GDADHL CC[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])N1CCc2ccccc2C1 ZINC000572479767 974748985 /nfs/dbraw/zinc/74/89/85/974748985.db2.gz IUHUXGWOCBHVHN-AWEZNQCLSA-N -2 3 378.454 1.223 20 0 GDADHL C[C@H](/C=C/C(=O)[O-])[N-]S(=O)(=O)c1ccc(I)s1 ZINC001592210481 977255279 /nfs/dbraw/zinc/25/52/79/977255279.db2.gz DCAGEEJWYIHOSN-QMVXTRQFSA-N -2 3 387.220 1.660 20 0 GDADHL C[C@H](CCO)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001592530712 978400807 /nfs/dbraw/zinc/40/08/07/978400807.db2.gz WERHLQMDQMLPPY-SSDOTTSWSA-N -2 3 384.223 1.583 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC2CCOCC2)C(=O)[O-])c(F)c1 ZINC000809222857 978854370 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388.785 1.681 20 0 GDADHL CCOC(=O)c1cccc2[n-]c(NC(=O)CN3CCC[C@@H](C(=O)[O-])C3=O)nc21 ZINC001596730226 984993389 /nfs/dbraw/zinc/99/33/89/984993389.db2.gz AGUGRFRYTIVTMK-LLVKDONJSA-N -2 3 388.380 1.001 20 0 GDADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccoc3CC(=O)[O-])c2)[n-]1 ZINC001596749243 985085325 /nfs/dbraw/zinc/08/53/25/985085325.db2.gz SBURCIYPBVPVNK-UHFFFAOYSA-N -2 3 398.375 1.799 20 0 GDADHL CCOC(=O)c1nc(-c2cccc(CNC(=O)c3ccoc3CC(=O)[O-])c2)n[n-]1 ZINC001596749243 985085338 /nfs/dbraw/zinc/08/53/38/985085338.db2.gz SBURCIYPBVPVNK-UHFFFAOYSA-N -2 3 398.375 1.799 20 0 GDADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)(C(=O)[O-])C1(C)C ZINC001596836710 985487267 /nfs/dbraw/zinc/48/72/67/985487267.db2.gz FMZOOQFGMSWTSO-VFZGTOFNSA-N -3 3 375.399 1.223 20 0 GDADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)c1 ZINC001589199305 985628833 /nfs/dbraw/zinc/62/88/33/985628833.db2.gz CQPUHQOKTUCFCF-NUTKFTJISA-N -2 3 376.409 1.835 20 0 GDADHL 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CCn1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)CC)cc2OC)cn1 ZINC000270547141 531891486 /nfs/dbraw/zinc/89/14/86/531891486.db2.gz ZRQIPWFEPQSKPP-UHFFFAOYSA-N -2 3 388.471 1.474 20 0 GDADHL COCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)CCOCC1 ZINC000368127143 531894959 /nfs/dbraw/zinc/89/49/59/531894959.db2.gz WCUZVZQWQLVDGE-UHFFFAOYSA-N -2 3 375.418 1.554 20 0 GDADHL O=C([O-])C1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000647727076 531896064 /nfs/dbraw/zinc/89/60/64/531896064.db2.gz HBFSRGCBCVOFJY-UHFFFAOYSA-N -2 3 395.264 1.595 20 0 GDADHL CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000283854353 531903899 /nfs/dbraw/zinc/90/38/99/531903899.db2.gz BCLRYMVUDHGBSZ-LBPRGKRZSA-N -2 3 394.446 1.214 20 0 GDADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](CC1CC1)C(=O)[O-] ZINC000650431155 531930010 /nfs/dbraw/zinc/93/00/10/531930010.db2.gz JGWQSEUADUEGKL-LBPRGKRZSA-N -2 3 375.418 1.630 20 0 GDADHL O=C([O-])c1ccc(CS(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000629332847 531981973 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1.202 20 0 GDADHL C[C@@]1(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCC[C@H]1O ZINC000331299629 532143305 /nfs/dbraw/zinc/14/33/05/532143305.db2.gz VOTFTVYMKCPYPE-CABCVRRESA-N -2 3 394.490 1.417 20 0 GDADHL C[C@@H](CC(=O)[O-])NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000427678146 532188196 /nfs/dbraw/zinc/18/81/96/532188196.db2.gz KJCYNFYDHKCMCV-IUCAKERBSA-N -2 3 382.360 1.352 20 0 GDADHL CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])s1 ZINC000274913825 532241818 /nfs/dbraw/zinc/24/18/18/532241818.db2.gz LGWGKYZETMACBU-LLVKDONJSA-N -2 3 376.500 1.594 20 0 GDADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000274987723 532249733 /nfs/dbraw/zinc/24/97/33/532249733.db2.gz MFMMGZSXLRLXSY-LLVKDONJSA-N -2 3 376.500 1.800 20 0 GDADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000274995722 532251353 /nfs/dbraw/zinc/25/13/53/532251353.db2.gz AAZATGDLNFCXAM-SSDOTTSWSA-N -3 3 375.708 1.565 20 0 GDADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)CCCC(=O)[O-])cc1F ZINC000274996020 532251654 /nfs/dbraw/zinc/25/16/54/532251654.db2.gz NIIAHGPBNGTQEU-JTQLQIEISA-N -2 3 396.462 1.509 20 0 GDADHL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000275164915 532271849 /nfs/dbraw/zinc/27/18/49/532271849.db2.gz BBIZYNMKXHFQEP-QMMMGPOBSA-N -2 3 389.735 1.811 20 0 GDADHL C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@H](C(=O)[O-])C1 ZINC000275176499 532272462 /nfs/dbraw/zinc/27/24/62/532272462.db2.gz WBTNBHYUGSTJLE-ZANVPECISA-N -2 3 394.446 1.071 20 0 GDADHL COCCCO[N-]C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000287991804 532255810 /nfs/dbraw/zinc/25/58/10/532255810.db2.gz ZJIWXTFNJKMPNH-ZDUSSCGKSA-N -2 3 394.490 1.310 20 0 GDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000275038406 532255973 /nfs/dbraw/zinc/25/59/73/532255973.db2.gz VDPSHIGAOGOVOU-LLVKDONJSA-N -2 3 375.809 1.495 20 0 GDADHL O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000275037655 532256310 /nfs/dbraw/zinc/25/63/10/532256310.db2.gz DMEVAGUWQWVIMU-VXGBXAGGSA-N -2 3 393.845 1.012 20 0 GDADHL COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])c(C(=O)OC)s1 ZINC000275040070 532256340 /nfs/dbraw/zinc/25/63/40/532256340.db2.gz QYXSCOKKTILCGL-QMMMGPOBSA-N -2 3 393.439 1.101 20 0 GDADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000275090161 532263635 /nfs/dbraw/zinc/26/36/35/532263635.db2.gz OWCYEUPXTOWRII-HNNXBMFYSA-N -2 3 383.447 1.876 20 0 GDADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])s2)cs1 ZINC000275108521 532266180 /nfs/dbraw/zinc/26/61/80/532266180.db2.gz RQMDUDVEPCMWRK-MRVPVSSYSA-N -2 3 389.480 1.177 20 0 GDADHL Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000275127428 532267807 /nfs/dbraw/zinc/26/78/07/532267807.db2.gz UUQNSEBIPJXYCI-ZDUSSCGKSA-N -2 3 375.809 1.934 20 0 GDADHL Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000275132248 532268349 /nfs/dbraw/zinc/26/83/49/532268349.db2.gz VMNVIWJOJYREKK-CYBMUJFWSA-N -2 3 375.809 1.934 20 0 GDADHL CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000275328760 532286645 /nfs/dbraw/zinc/28/66/45/532286645.db2.gz QFVGLLMOJUXHLZ-JTQLQIEISA-N -2 3 396.462 1.319 20 0 GDADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c(Cl)c1 ZINC000275329993 532287173 /nfs/dbraw/zinc/28/71/73/532287173.db2.gz UBOUSNZDJPZOIO-MRVPVSSYSA-N -2 3 389.735 1.811 20 0 GDADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)c1Cl ZINC000391720736 532299008 /nfs/dbraw/zinc/29/90/08/532299008.db2.gz OQUUFVDLKDJSES-UHFFFAOYSA-N -2 3 393.252 1.878 20 0 GDADHL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735963382 598842601 /nfs/dbraw/zinc/84/26/01/598842601.db2.gz FUHYKTRXDSKLMV-SECBINFHSA-N -2 3 377.405 1.974 20 0 GDADHL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735963382 598842603 /nfs/dbraw/zinc/84/26/03/598842603.db2.gz FUHYKTRXDSKLMV-SECBINFHSA-N -2 3 377.405 1.974 20 0 GDADHL CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736577394 598843114 /nfs/dbraw/zinc/84/31/14/598843114.db2.gz HDNTURYDWQIDGZ-UHFFFAOYSA-N -2 3 390.400 1.556 20 0 GDADHL CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736577394 598843116 /nfs/dbraw/zinc/84/31/16/598843116.db2.gz HDNTURYDWQIDGZ-UHFFFAOYSA-N -2 3 390.400 1.556 20 0 GDADHL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736938956 598931126 /nfs/dbraw/zinc/93/11/26/598931126.db2.gz DJTSGYLCHXTMSV-UHFFFAOYSA-N -2 3 391.384 1.902 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(N)=O ZINC000737225243 598947409 /nfs/dbraw/zinc/94/74/09/598947409.db2.gz LNRJJNSROZBRIM-UHFFFAOYSA-N -2 3 392.828 1.728 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(N)=O ZINC000737225243 598947410 /nfs/dbraw/zinc/94/74/10/598947410.db2.gz LNRJJNSROZBRIM-UHFFFAOYSA-N -2 3 392.828 1.728 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000737225723 598950762 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0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ncoc1C(C)C ZINC000737297945 598974713 /nfs/dbraw/zinc/97/47/13/598974713.db2.gz GSWGROTWGRGHIF-UHFFFAOYSA-N -2 3 376.398 1.405 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cn1ccc2ccccc21 ZINC000737299477 598976575 /nfs/dbraw/zinc/97/65/75/598976575.db2.gz PZVIOQMHSXAIND-UHFFFAOYSA-N -2 3 396.432 1.635 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cn1ccc2ccccc21 ZINC000737299477 598976577 /nfs/dbraw/zinc/97/65/77/598976577.db2.gz PZVIOQMHSXAIND-UHFFFAOYSA-N -2 3 396.432 1.635 20 0 GDADHL CCCc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000736496175 599025588 /nfs/dbraw/zinc/02/55/88/599025588.db2.gz YNLVFWOHFWXBNV-UHFFFAOYSA-N -2 3 377.451 1.999 20 0 GDADHL CCCc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000736496175 599025591 /nfs/dbraw/zinc/02/55/91/599025591.db2.gz YNLVFWOHFWXBNV-UHFFFAOYSA-N -2 3 377.451 1.999 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1sccc1-c1nnn[n-]1 ZINC000738139221 599026103 /nfs/dbraw/zinc/02/61/03/599026103.db2.gz MSZJHTDCHFIVIQ-UHFFFAOYSA-N -2 3 375.435 1.536 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1sccc1-c1nn[n-]n1 ZINC000738139221 599026105 /nfs/dbraw/zinc/02/61/05/599026105.db2.gz MSZJHTDCHFIVIQ-UHFFFAOYSA-N -2 3 375.435 1.536 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000822223678 607258452 /nfs/dbraw/zinc/25/84/52/607258452.db2.gz GOEZYBQQMJBJIA-UHFFFAOYSA-N -2 3 391.360 1.846 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000822223678 607258453 /nfs/dbraw/zinc/25/84/53/607258453.db2.gz GOEZYBQQMJBJIA-UHFFFAOYSA-N -2 3 391.360 1.846 20 0 GDADHL CCS(=O)(=O)[N-]C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736658376 599154003 /nfs/dbraw/zinc/15/40/03/599154003.db2.gz CURRRHMLEBZNAV-UHFFFAOYSA-N -2 3 387.421 1.525 20 0 GDADHL CCS(=O)(=O)[N-]C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736658376 599154005 /nfs/dbraw/zinc/15/40/05/599154005.db2.gz CURRRHMLEBZNAV-UHFFFAOYSA-N -2 3 387.421 1.525 20 0 GDADHL O=S(=O)([N-]Cc1ccc2c(c1)COC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578640 607259838 /nfs/dbraw/zinc/25/98/38/607259838.db2.gz QWZVMXPWKLKRQZ-UHFFFAOYSA-N -2 3 393.375 1.654 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000737300570 599304212 /nfs/dbraw/zinc/30/42/12/599304212.db2.gz BOZSPLOFMWOJLI-UHFFFAOYSA-N -2 3 387.347 1.735 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)F)cc1 ZINC000738137858 598364054 /nfs/dbraw/zinc/36/40/54/598364054.db2.gz BFLOWOLAQDMVKZ-UHFFFAOYSA-N -2 3 379.348 1.923 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)F)cc1 ZINC000738137858 598364056 /nfs/dbraw/zinc/36/40/56/598364056.db2.gz BFLOWOLAQDMVKZ-UHFFFAOYSA-N -2 3 379.348 1.923 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1F ZINC000738138766 598364113 /nfs/dbraw/zinc/36/41/13/598364113.db2.gz JBWHDHQFBHLKJU-UHFFFAOYSA-N -2 3 379.348 1.405 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC000738138766 598364115 /nfs/dbraw/zinc/36/41/15/598364115.db2.gz JBWHDHQFBHLKJU-UHFFFAOYSA-N -2 3 379.348 1.405 20 0 GDADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737073084 598414576 /nfs/dbraw/zinc/41/45/76/598414576.db2.gz YYLCOCUFVWZTLX-UHFFFAOYSA-N -2 3 393.812 1.647 20 0 GDADHL COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737073084 598414579 /nfs/dbraw/zinc/41/45/79/598414579.db2.gz YYLCOCUFVWZTLX-UHFFFAOYSA-N -2 3 393.812 1.647 20 0 GDADHL O=C(CCCn1cccn1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737838155 598415453 /nfs/dbraw/zinc/41/54/53/598415453.db2.gz WURIYOILTAKCEX-UHFFFAOYSA-N -2 3 395.832 1.002 20 0 GDADHL O=C(CCCn1cccn1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737838155 598415455 /nfs/dbraw/zinc/41/54/55/598415455.db2.gz WURIYOILTAKCEX-UHFFFAOYSA-N -2 3 395.832 1.002 20 0 GDADHL Cc1nc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000737473240 598415518 /nfs/dbraw/zinc/41/55/18/598415518.db2.gz BGAVWPPWLJQPFH-UHFFFAOYSA-N -2 3 398.857 1.333 20 0 GDADHL Cc1nc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000737473240 598415519 /nfs/dbraw/zinc/41/55/19/598415519.db2.gz BGAVWPPWLJQPFH-UHFFFAOYSA-N -2 3 398.857 1.333 20 0 GDADHL Cc1nc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2OC(C)C)cn1C ZINC000737482551 598421080 /nfs/dbraw/zinc/42/10/80/598421080.db2.gz IFGSLUZGTLAUPY-UHFFFAOYSA-N -2 3 377.430 1.497 20 0 GDADHL Cc1nc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)cn1C ZINC000737482551 598421082 /nfs/dbraw/zinc/42/10/82/598421082.db2.gz IFGSLUZGTLAUPY-UHFFFAOYSA-N -2 3 377.430 1.497 20 0 GDADHL CCOc1ccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736651529 598492782 /nfs/dbraw/zinc/49/27/82/598492782.db2.gz PCGCIUKFGAHYML-MHZLTWQESA-N -2 3 385.449 1.689 20 0 GDADHL CCSc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736666018 598536243 /nfs/dbraw/zinc/53/62/43/598536243.db2.gz KEGQZTNWVKUARZ-UHFFFAOYSA-N -2 3 390.450 1.492 20 0 GDADHL CCSc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736666018 598536245 /nfs/dbraw/zinc/53/62/45/598536245.db2.gz KEGQZTNWVKUARZ-UHFFFAOYSA-N -2 3 390.450 1.492 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735550070 598564463 /nfs/dbraw/zinc/56/44/63/598564463.db2.gz FVMUEFJWOQRGAH-SNVBAGLBSA-N -2 3 375.385 1.614 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735550070 598564465 /nfs/dbraw/zinc/56/44/65/598564465.db2.gz FVMUEFJWOQRGAH-SNVBAGLBSA-N -2 3 375.385 1.614 20 0 GDADHL CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737179597 598565934 /nfs/dbraw/zinc/56/59/34/598565934.db2.gz MNLAWSVRUQKCEJ-SSDOTTSWSA-N -2 3 375.863 1.324 20 0 GDADHL CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737179597 598565935 /nfs/dbraw/zinc/56/59/35/598565935.db2.gz MNLAWSVRUQKCEJ-SSDOTTSWSA-N -2 3 375.863 1.324 20 0 GDADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737174688 598593676 /nfs/dbraw/zinc/59/36/76/598593676.db2.gz XWJUCMHKPAYDFR-UHFFFAOYSA-N -2 3 397.413 1.210 20 0 GDADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737174688 598593678 /nfs/dbraw/zinc/59/36/78/598593678.db2.gz XWJUCMHKPAYDFR-UHFFFAOYSA-N -2 3 397.413 1.210 20 0 GDADHL O=C([O-])c1c(F)cccc1NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000738216025 598628618 /nfs/dbraw/zinc/62/86/18/598628618.db2.gz VHOASKJXSDKJCN-UHFFFAOYSA-N -2 3 377.357 1.646 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCOc2ccccc21 ZINC000738140818 598642660 /nfs/dbraw/zinc/64/26/60/598642660.db2.gz WYIWAICFTXCBTQ-CQSZACIVSA-N -2 3 385.405 1.238 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCOc2ccccc21 ZINC000738140818 598642663 /nfs/dbraw/zinc/64/26/63/598642663.db2.gz WYIWAICFTXCBTQ-CQSZACIVSA-N -2 3 385.405 1.238 20 0 GDADHL CC(C)CS(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735850498 598734844 /nfs/dbraw/zinc/73/48/44/598734844.db2.gz RPADUERIULWVER-UHFFFAOYSA-N -2 3 381.458 1.518 20 0 GDADHL CC(C)CS(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735850498 598734845 /nfs/dbraw/zinc/73/48/45/598734845.db2.gz RPADUERIULWVER-UHFFFAOYSA-N -2 3 381.458 1.518 20 0 GDADHL O=C(CC[C@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737825392 598740732 /nfs/dbraw/zinc/74/07/32/598740732.db2.gz ZBNGXIVQNUPQNI-SNVBAGLBSA-N -2 3 399.860 1.674 20 0 GDADHL O=C(CC[C@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737825392 598740734 /nfs/dbraw/zinc/74/07/34/598740734.db2.gz ZBNGXIVQNUPQNI-SNVBAGLBSA-N -2 3 399.860 1.674 20 0 GDADHL O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738319294 599304545 /nfs/dbraw/zinc/30/45/45/599304545.db2.gz UUYAHJTWXBEZCD-SECBINFHSA-N -2 3 375.357 1.389 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735549980 599616841 /nfs/dbraw/zinc/61/68/41/599616841.db2.gz CVTZMHHOWGUJOE-SNVBAGLBSA-N -2 3 377.451 1.678 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735549980 599616843 /nfs/dbraw/zinc/61/68/43/599616843.db2.gz CVTZMHHOWGUJOE-SNVBAGLBSA-N -2 3 377.451 1.678 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000735549979 599617273 /nfs/dbraw/zinc/61/72/73/599617273.db2.gz CVTZMHHOWGUJOE-JTQLQIEISA-N -2 3 377.451 1.678 20 0 GDADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000735549979 599617275 /nfs/dbraw/zinc/61/72/75/599617275.db2.gz CVTZMHHOWGUJOE-JTQLQIEISA-N -2 3 377.451 1.678 20 0 GDADHL COc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000821772731 599620322 /nfs/dbraw/zinc/62/03/22/599620322.db2.gz NKRSMUPHEAEWCB-UHFFFAOYSA-N -2 3 387.421 1.444 20 0 GDADHL COc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000821772731 599620323 /nfs/dbraw/zinc/62/03/23/599620323.db2.gz NKRSMUPHEAEWCB-UHFFFAOYSA-N -2 3 387.421 1.444 20 0 GDADHL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(=O)n(-c2ccccc2)n1C ZINC000738305929 599735318 /nfs/dbraw/zinc/73/53/18/599735318.db2.gz SUIQCYOVUAVZHR-UHFFFAOYSA-N -2 3 377.378 1.576 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2nnc3ccc(C(F)(F)F)cn32)o1 ZINC000740177146 599768499 /nfs/dbraw/zinc/76/84/99/599768499.db2.gz GYNLDCLWUDWBIW-UHFFFAOYSA-N -2 3 390.299 1.518 20 0 GDADHL CCN(CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC(C)(C)C ZINC000737101205 599769809 /nfs/dbraw/zinc/76/98/09/599769809.db2.gz XZFDTBOGIPLGQT-UHFFFAOYSA-N -2 3 376.431 1.903 20 0 GDADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccc(OC)cc1 ZINC000737577314 599798270 /nfs/dbraw/zinc/79/82/70/599798270.db2.gz JMRPWKSDYVYNDE-MRXNPFEDSA-N -2 3 393.417 1.894 20 0 GDADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccc(OC)cc1 ZINC000737581552 599798433 /nfs/dbraw/zinc/79/84/33/599798433.db2.gz ZOGAQGWIKYTTSC-INIZCTEOSA-N -2 3 393.417 1.894 20 0 GDADHL O=C([O-])c1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1O ZINC000739309944 599948295 /nfs/dbraw/zinc/94/82/95/599948295.db2.gz WHVIURSKISNHSL-UHFFFAOYSA-N -2 3 390.826 1.722 20 0 GDADHL COc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(CC(=O)[O-])n3)cs2)cc1OC ZINC000737910875 600180821 /nfs/dbraw/zinc/18/08/21/600180821.db2.gz FQYJGWFZQBLFJJ-UHFFFAOYSA-N -2 3 389.393 1.825 20 0 GDADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1C(=O)[O-] ZINC000064477606 600543962 /nfs/dbraw/zinc/54/39/62/600543962.db2.gz GMVJLYBMEFAXPY-UHFFFAOYSA-N -2 3 391.405 1.385 20 0 GDADHL CCc1cc(C[N-]S(=O)(=O)c2cc(/C=C/C(=O)[O-])cc(OC)c2OC)on1 ZINC000737255160 600797424 /nfs/dbraw/zinc/79/74/24/600797424.db2.gz WXGFNDXQFGMLLY-AATRIKPKSA-N -2 3 396.421 1.831 20 0 GDADHL COC(=O)c1sc2[n-]c(CSc3ncc[nH]3)nc(=O)c2c1CC(=O)[O-] ZINC000831478691 600841278 /nfs/dbraw/zinc/84/12/78/600841278.db2.gz DUFHDUJSLCRQSF-UHFFFAOYSA-N -2 3 380.407 1.414 20 0 GDADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000833089992 600951233 /nfs/dbraw/zinc/95/12/33/600951233.db2.gz KVKGLQSONHZUTN-LBPRGKRZSA-N -2 3 382.376 1.297 20 0 GDADHL Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000739062534 601047575 /nfs/dbraw/zinc/04/75/75/601047575.db2.gz 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COCCn1c(=O)cc([O-])nc1SCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826163838 607971738 /nfs/dbraw/zinc/97/17/38/607971738.db2.gz NVKDQNCXVPACQE-UHFFFAOYSA-N -2 3 390.425 1.076 20 0 GDADHL COCCn1c(=O)cc([O-])nc1SCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826163838 607971739 /nfs/dbraw/zinc/97/17/39/607971739.db2.gz NVKDQNCXVPACQE-UHFFFAOYSA-N -2 3 390.425 1.076 20 0 GDADHL O=C(C=Cc1cncc(F)c1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826402763 607985585 /nfs/dbraw/zinc/98/55/85/607985585.db2.gz BHNOUVWOZOQGPX-AATRIKPKSA-N -2 3 388.384 1.060 20 0 GDADHL O=C(C=Cc1cncc(F)c1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826402763 607985586 /nfs/dbraw/zinc/98/55/86/607985586.db2.gz BHNOUVWOZOQGPX-AATRIKPKSA-N -2 3 388.384 1.060 20 0 GDADHL CN(CCCC(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825918744 608009987 /nfs/dbraw/zinc/00/99/87/608009987.db2.gz LGORBAYMIRZGPY-UHFFFAOYSA-N -2 3 393.347 1.371 20 0 GDADHL Cc1oncc1[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826349285 608012372 /nfs/dbraw/zinc/01/23/72/608012372.db2.gz CDNMRTAPRHWSPO-UHFFFAOYSA-N -2 3 385.203 1.726 20 0 GDADHL Cc1oncc1[N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826349285 608012373 /nfs/dbraw/zinc/01/23/73/608012373.db2.gz CDNMRTAPRHWSPO-UHFFFAOYSA-N -2 3 385.203 1.726 20 0 GDADHL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1C(F)F ZINC000824284664 608016906 /nfs/dbraw/zinc/01/69/06/608016906.db2.gz LSDOLYVIUCQECX-UHFFFAOYSA-N -2 3 398.399 1.853 20 0 GDADHL Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824858917 608046991 /nfs/dbraw/zinc/04/69/91/608046991.db2.gz MRFOFNCVSOYZGR-MRXNPFEDSA-N -2 3 375.392 1.840 20 0 GDADHL Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824858917 608046992 /nfs/dbraw/zinc/04/69/92/608046992.db2.gz MRFOFNCVSOYZGR-MRXNPFEDSA-N -2 3 375.392 1.840 20 0 GDADHL Cc1nn(C(C)(C)C)cc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826333117 608141285 /nfs/dbraw/zinc/14/12/85/608141285.db2.gz USRPTKWUILTSAM-UHFFFAOYSA-N -2 3 389.441 1.245 20 0 GDADHL Cc1nn(C(C)(C)C)cc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826333117 608141286 /nfs/dbraw/zinc/14/12/86/608141286.db2.gz USRPTKWUILTSAM-UHFFFAOYSA-N -2 3 389.441 1.245 20 0 GDADHL COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000826164009 608148800 /nfs/dbraw/zinc/14/88/00/608148800.db2.gz VFPANAPEVZMDJA-UHFFFAOYSA-N -2 3 399.436 1.664 20 0 GDADHL COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000826164009 608148802 /nfs/dbraw/zinc/14/88/02/608148802.db2.gz VFPANAPEVZMDJA-UHFFFAOYSA-N -2 3 399.436 1.664 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1(Cc2ccccc2)CC1 ZINC000826449592 608197513 /nfs/dbraw/zinc/19/75/13/608197513.db2.gz ABZUSZGAZDFNEH-UHFFFAOYSA-N -2 3 397.460 1.836 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1(Cc2ccccc2)CC1 ZINC000826449592 608197514 /nfs/dbraw/zinc/19/75/14/608197514.db2.gz ABZUSZGAZDFNEH-UHFFFAOYSA-N -2 3 397.460 1.836 20 0 GDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cnn1CC(C)C ZINC000826242913 608269611 /nfs/dbraw/zinc/26/96/11/608269611.db2.gz LSYKAZBIBDHCGQ-UHFFFAOYSA-N -2 3 379.421 1.968 20 0 GDADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cnn1CC(C)C ZINC000826242913 608269613 /nfs/dbraw/zinc/26/96/13/608269613.db2.gz LSYKAZBIBDHCGQ-UHFFFAOYSA-N -2 3 379.421 1.968 20 0 GDADHL CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000824333550 608333013 /nfs/dbraw/zinc/33/30/13/608333013.db2.gz LJHSYJGIVASXPZ-UHFFFAOYSA-N -2 3 393.450 1.834 20 0 GDADHL CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000824333550 608333015 /nfs/dbraw/zinc/33/30/15/608333015.db2.gz LJHSYJGIVASXPZ-UHFFFAOYSA-N -2 3 393.450 1.834 20 0 GDADHL CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826223736 608336972 /nfs/dbraw/zinc/33/69/72/608336972.db2.gz YFOXJXVMLXAMKP-UHFFFAOYSA-N -2 3 382.402 1.691 20 0 GDADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000826467814 608448993 /nfs/dbraw/zinc/44/89/93/608448993.db2.gz MYUFWUJDHRNDSB-UHFFFAOYSA-N -2 3 393.363 1.626 20 0 GDADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000826467814 608448994 /nfs/dbraw/zinc/44/89/94/608448994.db2.gz MYUFWUJDHRNDSB-UHFFFAOYSA-N -2 3 393.363 1.626 20 0 GDADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000826162569 609469398 /nfs/dbraw/zinc/46/93/98/609469398.db2.gz ININDUGEOMJWKI-UHFFFAOYSA-N -2 3 394.388 1.227 20 0 GDADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000826162417 609469651 /nfs/dbraw/zinc/46/96/51/609469651.db2.gz BDACQFIANIJNKT-UHFFFAOYSA-N -2 3 394.413 1.298 20 0 GDADHL O=C([O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826461402 609506637 /nfs/dbraw/zinc/50/66/37/609506637.db2.gz SSGVRVLZGZYAOX-INIZCTEOSA-N -2 3 399.432 1.208 20 0 GDADHL O=C([O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826461402 609506640 /nfs/dbraw/zinc/50/66/40/609506640.db2.gz SSGVRVLZGZYAOX-INIZCTEOSA-N -2 3 399.432 1.208 20 0 GDADHL O=C([O-])c1ccc(CCNS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826461707 609513533 /nfs/dbraw/zinc/51/35/33/609513533.db2.gz DPRUTLPAFIRJQZ-UHFFFAOYSA-N -2 3 387.421 1.227 20 0 GDADHL O=C([O-])c1ccc(CCNS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826461707 609513536 /nfs/dbraw/zinc/51/35/36/609513536.db2.gz DPRUTLPAFIRJQZ-UHFFFAOYSA-N -2 3 387.421 1.227 20 0 GDADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1 ZINC000825875738 609522100 /nfs/dbraw/zinc/52/21/00/609522100.db2.gz WXMMBPRFWYOTGQ-UHFFFAOYSA-N -2 3 388.457 1.266 20 0 GDADHL O=S(=O)([N-]c1cnn(CC2CC2)c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492770 609528901 /nfs/dbraw/zinc/52/89/01/609528901.db2.gz CFJSXWWOGRFERH-UHFFFAOYSA-N -2 3 379.833 1.927 20 0 GDADHL O=S(=O)([N-]c1cnn(CC2CC2)c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492770 609528903 /nfs/dbraw/zinc/52/89/03/609528903.db2.gz CFJSXWWOGRFERH-UHFFFAOYSA-N -2 3 379.833 1.927 20 0 GDADHL O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547554712 650501849 /nfs/dbraw/zinc/50/18/49/650501849.db2.gz QOGOQXCYPCRYJY-KWQFWETISA-N -2 3 396.234 1.746 20 0 GDADHL COCC[C@@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(=O)[O-] ZINC000547558595 650502914 /nfs/dbraw/zinc/50/29/14/650502914.db2.gz ZLRLBALBELZODZ-SNVBAGLBSA-N -2 3 387.435 1.456 20 0 GDADHL Cn1cc(C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C(=O)[O-])cn1 ZINC000547564742 650503458 /nfs/dbraw/zinc/50/34/58/650503458.db2.gz IPYSLSWQDCISPT-SNVBAGLBSA-N -2 3 378.237 1.701 20 0 GDADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC)CC(=O)[O-] ZINC000547610672 650508358 /nfs/dbraw/zinc/50/83/58/650508358.db2.gz CQHGSKAIKLNIDT-MRVPVSSYSA-N -2 3 393.439 1.101 20 0 GDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCOC1 ZINC000547873416 650518231 /nfs/dbraw/zinc/51/82/31/650518231.db2.gz YLIKUYGCUGHDJE-WRWORJQWSA-N -2 3 398.662 1.871 20 0 GDADHL Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)[O-])n1 ZINC000548208371 650535643 /nfs/dbraw/zinc/53/56/43/650535643.db2.gz VIIBQUKFPRNPMC-LBPRGKRZSA-N -2 3 375.809 1.724 20 0 GDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)[C@H]1CCOC1 ZINC000548528271 650548333 /nfs/dbraw/zinc/54/83/33/650548333.db2.gz ADPXWIDATCPFFH-WRWORJQWSA-N -2 3 382.207 1.356 20 0 GDADHL CCc1ncc(S(=O)(=O)[N-][C@H](CC2CCCCC2)[C@H](O)C(=O)[O-])s1 ZINC000549937350 650585846 /nfs/dbraw/zinc/58/58/46/650585846.db2.gz RVPVXVWUUXFWDV-RISCZKNCSA-N -2 3 376.500 1.768 20 0 GDADHL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)cc1OC(F)F ZINC000563815284 650740644 /nfs/dbraw/zinc/74/06/44/650740644.db2.gz LBGGJAUOAWCXMJ-KRTXAFLBSA-N -2 3 381.353 1.914 20 0 GDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCOc1ccc(C(F)(F)F)cn1 ZINC000566173620 650832284 /nfs/dbraw/zinc/83/22/84/650832284.db2.gz LIOHASRJGXGERC-UHFFFAOYSA-N -2 3 397.356 1.612 20 0 GDADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)C(C)C)c(Br)c1 ZINC000028198330 644293896 /nfs/dbraw/zinc/29/38/96/644293896.db2.gz QIICOCMZBIFBEQ-UHFFFAOYSA-N -2 3 393.259 1.591 20 0 GDADHL Cc1ccc(C(=O)N[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c([O-])c1 ZINC000055647437 644474430 /nfs/dbraw/zinc/47/44/30/644474430.db2.gz BPMYHEMEMUJIGG-UHFFFAOYSA-N -2 3 385.785 1.886 20 0 GDADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000568269950 650950123 /nfs/dbraw/zinc/95/01/23/650950123.db2.gz FSYMCLLNYRLCTF-DTWKUNHWSA-N -2 3 377.440 1.465 20 0 GDADHL O=C([N-]CCCS(=O)(=O)c1n[n-]c(-c2ccc(Cl)cc2)n1)C(F)(F)F ZINC000195111675 645066767 /nfs/dbraw/zinc/06/67/67/645066767.db2.gz NDJOOTNFRVTACP-UHFFFAOYSA-N -2 3 396.778 1.967 20 0 GDADHL O=C([N-]CCCS(=O)(=O)c1nc(-c2ccc(Cl)cc2)n[n-]1)C(F)(F)F ZINC000195111675 645066770 /nfs/dbraw/zinc/06/67/70/645066770.db2.gz NDJOOTNFRVTACP-UHFFFAOYSA-N -2 3 396.778 1.967 20 0 GDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421150446 645983950 /nfs/dbraw/zinc/98/39/50/645983950.db2.gz ITBUMPFOUWOWEB-SNVBAGLBSA-N -2 3 376.431 1.391 20 0 GDADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(C)nn2C)cc1F ZINC000476237176 647775309 /nfs/dbraw/zinc/77/53/09/647775309.db2.gz WGSSMCFEXCBYIF-UHFFFAOYSA-N -2 3 390.462 1.820 20 0 GDADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC000516770594 648535308 /nfs/dbraw/zinc/53/53/08/648535308.db2.gz CPIFTDUZPYKWFL-ZCFIWIBFSA-N -2 3 376.437 1.729 20 0 GDADHL C[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C[C@H]1C(=O)[O-] ZINC000572960623 651464389 /nfs/dbraw/zinc/46/43/89/651464389.db2.gz HHNHOGSTKMPHRA-DTWKUNHWSA-N -2 3 380.875 1.249 20 0 GDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@@H]1CCCOC1 ZINC000573954468 651504214 /nfs/dbraw/zinc/50/42/14/651504214.db2.gz PYNWECUZQJOQIH-TZMCWYRMSA-N -2 3 382.463 1.968 20 0 GDADHL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000577370136 651726860 /nfs/dbraw/zinc/72/68/60/651726860.db2.gz VMUFAGTVRLSVHU-GXSJLCMTSA-N -2 3 381.809 1.456 20 0 GDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H]2CCCCCC[C@H]2C(=O)[O-])s1 ZINC000578632062 651802261 /nfs/dbraw/zinc/80/22/61/651802261.db2.gz JTXQLYOGTXPJFB-MNOVXSKESA-N -2 3 375.472 1.803 20 0 GDADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@H]2C(=O)[O-])s1 ZINC000578632061 651802393 /nfs/dbraw/zinc/80/23/93/651802393.db2.gz JTXQLYOGTXPJFB-GHMZBOCLSA-N -2 3 375.472 1.803 20 0 GDADHL CCOC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000578812994 651816346 /nfs/dbraw/zinc/81/63/46/651816346.db2.gz PUUYSFXYQRIMPS-MRVPVSSYSA-N -2 3 386.651 1.871 20 0 GDADHL Cc1cc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)ccc1OCC(=O)[O-] ZINC000609494551 652846164 /nfs/dbraw/zinc/84/61/64/652846164.db2.gz AIPFNDBOCCQSHX-DEOSSOPVSA-N -2 3 383.447 1.997 20 0 GDADHL CCC[C@@H](NC(=O)c1cc(I)ccc1[O-])c1nnn[n-]1 ZINC000616367081 652969288 /nfs/dbraw/zinc/96/92/88/652969288.db2.gz FPFBASOIWHOMBM-SECBINFHSA-N -2 3 387.181 1.781 20 0 GDADHL CCC[C@@H](NC(=O)c1cc(I)ccc1[O-])c1nn[n-]n1 ZINC000616367081 652969289 /nfs/dbraw/zinc/96/92/89/652969289.db2.gz FPFBASOIWHOMBM-SECBINFHSA-N -2 3 387.181 1.781 20 0 GDADHL CC(C)[C@H](CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000655873862 653991710 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KCJKEMGXJKEROL-LLVKDONJSA-N -2 3 384.435 1.152 20 0 GDADHL CCN(CC(=O)[O-])S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000275328897 532287016 /nfs/dbraw/zinc/28/70/16/532287016.db2.gz QFXQOWSZRMSXDN-UHFFFAOYSA-N -2 3 382.435 1.071 20 0 GDADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cc(C(=O)OC)cs2)(C(=O)[O-])C1(C)C ZINC000275820146 532311416 /nfs/dbraw/zinc/31/14/16/532311416.db2.gz YWRWTXXEEVSNMV-MEBBXXQBSA-N -2 3 391.467 1.471 20 0 GDADHL Cc1nc(CCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000737472568 598856487 /nfs/dbraw/zinc/85/64/87/598856487.db2.gz UVGQCPDDCHRAPR-UHFFFAOYSA-N -2 3 392.466 1.210 20 0 GDADHL Cc1nc(CCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000737472568 598856490 /nfs/dbraw/zinc/85/64/90/598856490.db2.gz UVGQCPDDCHRAPR-UHFFFAOYSA-N -2 3 392.466 1.210 20 0 GDADHL CCCCSCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736462175 598909395 /nfs/dbraw/zinc/90/93/95/598909395.db2.gz BHNJHZCIMODWOO-UHFFFAOYSA-N -2 3 383.499 1.903 20 0 GDADHL CCCCSCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736462175 598909396 /nfs/dbraw/zinc/90/93/96/598909396.db2.gz BHNJHZCIMODWOO-UHFFFAOYSA-N -2 3 383.499 1.903 20 0 GDADHL CCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000736698742 598975755 /nfs/dbraw/zinc/97/57/55/598975755.db2.gz IZSXWNQSEXTCCN-UHFFFAOYSA-N -2 3 392.466 1.621 20 0 GDADHL CCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000736698742 598975756 /nfs/dbraw/zinc/97/57/56/598975756.db2.gz IZSXWNQSEXTCCN-UHFFFAOYSA-N -2 3 392.466 1.621 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(F)c(F)c1 ZINC000737297887 598974856 /nfs/dbraw/zinc/97/48/56/598974856.db2.gz DMTVFLDOBHIPAZ-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(F)c(F)c1 ZINC000737297887 598974858 /nfs/dbraw/zinc/97/48/58/598974858.db2.gz DMTVFLDOBHIPAZ-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nc2c(s1)COCC2 ZINC000737226314 599030117 /nfs/dbraw/zinc/03/01/17/599030117.db2.gz UVWSDCFHOGETRH-UHFFFAOYSA-N -2 3 378.439 1.505 20 0 GDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nc2c(s1)COCC2 ZINC000737226314 599030119 /nfs/dbraw/zinc/03/01/19/599030119.db2.gz UVWSDCFHOGETRH-UHFFFAOYSA-N -2 3 378.439 1.505 20 0 GDADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738267669 599107999 /nfs/dbraw/zinc/10/79/99/599107999.db2.gz OCWSPOOFCMAXAR-UHFFFAOYSA-N -2 3 378.392 1.702 20 0 GDADHL O=C(CCC1CC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000737824929 599152468 /nfs/dbraw/zinc/15/24/68/599152468.db2.gz VOKVOTUYZATVNR-UHFFFAOYSA-N -2 3 389.359 1.881 20 0 GDADHL O=C(CCC1CC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737824929 599152469 /nfs/dbraw/zinc/15/24/69/599152469.db2.gz VOKVOTUYZATVNR-UHFFFAOYSA-N -2 3 389.359 1.881 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc(OC(F)(F)F)cc1 ZINC000823583506 599234990 /nfs/dbraw/zinc/23/49/90/599234990.db2.gz RSJABRQQRVWLSO-UHFFFAOYSA-N -2 3 386.315 1.961 20 0 GDADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)[O-] ZINC000535513882 597373640 /nfs/dbraw/zinc/37/36/40/597373640.db2.gz NCNPXXDBGOUYFK-CQSZACIVSA-N -2 3 381.381 1.587 20 0 GDADHL CC(C)N(CC(=O)[O-])C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000820072153 598071276 /nfs/dbraw/zinc/07/12/76/598071276.db2.gz NYFNNMKTDWXQOQ-JTQLQIEISA-N -2 3 377.850 1.114 20 0 GDADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1nn(-c2ccccc2F)cc1[O-] ZINC000738099730 598257789 /nfs/dbraw/zinc/25/77/89/598257789.db2.gz INWIYQWQQUSOQV-UHFFFAOYSA-N -2 3 379.355 1.827 20 0 GDADHL Cc1cc2c[nH]nc2c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737236727 598363668 /nfs/dbraw/zinc/36/36/68/598363668.db2.gz RHGWEOJPQSDIIZ-UHFFFAOYSA-N -2 3 397.420 1.311 20 0 GDADHL COc1cccc([C@@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737128084 598414449 /nfs/dbraw/zinc/41/44/49/598414449.db2.gz MHZGPQIJIVETDO-HOTGVXAUSA-N -2 3 399.432 1.484 20 0 GDADHL COc1cccc([C@@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737128084 598414452 /nfs/dbraw/zinc/41/44/52/598414452.db2.gz MHZGPQIJIVETDO-HOTGVXAUSA-N -2 3 399.432 1.484 20 0 GDADHL O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737970862 598415161 /nfs/dbraw/zinc/41/51/61/598415161.db2.gz ZBSVZBNXPNPWJL-UHFFFAOYSA-N -2 3 395.803 1.707 20 0 GDADHL O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737970862 598415162 /nfs/dbraw/zinc/41/51/62/598415162.db2.gz ZBSVZBNXPNPWJL-UHFFFAOYSA-N -2 3 395.803 1.707 20 0 GDADHL O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737958021 598415187 /nfs/dbraw/zinc/41/51/87/598415187.db2.gz DEAHZVNNOWMMBB-UHFFFAOYSA-N -2 3 395.803 1.707 20 0 GDADHL O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737958021 598415191 /nfs/dbraw/zinc/41/51/91/598415191.db2.gz DEAHZVNNOWMMBB-UHFFFAOYSA-N -2 3 395.803 1.707 20 0 GDADHL C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736165841 598415961 /nfs/dbraw/zinc/41/59/61/598415961.db2.gz WVLONTFZXKCIMO-MRVPVSSYSA-N -2 3 385.833 1.140 20 0 GDADHL C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736165841 598415962 /nfs/dbraw/zinc/41/59/62/598415962.db2.gz WVLONTFZXKCIMO-MRVPVSSYSA-N -2 3 385.833 1.140 20 0 GDADHL CCCc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)[nH]n1 ZINC000736496307 598416541 /nfs/dbraw/zinc/41/65/41/598416541.db2.gz DGYRSUXGFDRYFR-UHFFFAOYSA-N -2 3 395.832 1.314 20 0 GDADHL CCCc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)[nH]n1 ZINC000736496307 598416542 /nfs/dbraw/zinc/41/65/42/598416542.db2.gz DGYRSUXGFDRYFR-UHFFFAOYSA-N -2 3 395.832 1.314 20 0 GDADHL COC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)ccc1F ZINC000736940137 598451983 /nfs/dbraw/zinc/45/19/83/598451983.db2.gz NQBXFLZRKDASFB-UHFFFAOYSA-N -2 3 392.372 1.985 20 0 GDADHL Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737321620 598565418 /nfs/dbraw/zinc/56/54/18/598565418.db2.gz GSOJJGBVRBXAOV-UHFFFAOYSA-N -2 3 385.449 1.672 20 0 GDADHL Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737321620 598565419 /nfs/dbraw/zinc/56/54/19/598565419.db2.gz GSOJJGBVRBXAOV-UHFFFAOYSA-N -2 3 385.449 1.672 20 0 GDADHL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737237605 598594107 /nfs/dbraw/zinc/59/41/07/598594107.db2.gz AOLUPCDKLDDPGH-UHFFFAOYSA-N -3 3 393.356 1.519 20 0 GDADHL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737237605 598594109 /nfs/dbraw/zinc/59/41/09/598594109.db2.gz AOLUPCDKLDDPGH-UHFFFAOYSA-N -3 3 393.356 1.519 20 0 GDADHL Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)c1cc(=O)[nH][n-]1 ZINC000737279337 598720427 /nfs/dbraw/zinc/72/04/27/598720427.db2.gz JZFJUKYWAFSZKQ-UHFFFAOYSA-N -2 3 391.391 1.569 20 0 GDADHL Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)c1cc(=O)[nH][n-]1 ZINC000737279337 598720428 /nfs/dbraw/zinc/72/04/28/598720428.db2.gz JZFJUKYWAFSZKQ-UHFFFAOYSA-N -2 3 391.391 1.569 20 0 GDADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000737853307 598778276 /nfs/dbraw/zinc/77/82/76/598778276.db2.gz KFOLYHCDPZAWNP-UHFFFAOYSA-N -2 3 377.364 1.781 20 0 GDADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000737853307 598778278 /nfs/dbraw/zinc/77/82/78/598778278.db2.gz KFOLYHCDPZAWNP-UHFFFAOYSA-N -2 3 377.364 1.781 20 0 GDADHL C[C@@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736056753 599615652 /nfs/dbraw/zinc/61/56/52/599615652.db2.gz DONWSGNLPPYHBH-NSHDSACASA-N -2 3 389.412 1.690 20 0 GDADHL C[C@@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736056753 599615653 /nfs/dbraw/zinc/61/56/53/599615653.db2.gz DONWSGNLPPYHBH-NSHDSACASA-N -2 3 389.412 1.690 20 0 GDADHL C[C@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736059101 599617555 /nfs/dbraw/zinc/61/75/55/599617555.db2.gz QGHJUDLPXOSHTB-LLVKDONJSA-N -2 3 389.412 1.690 20 0 GDADHL C[C@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736059101 599617557 /nfs/dbraw/zinc/61/75/57/599617557.db2.gz QGHJUDLPXOSHTB-LLVKDONJSA-N -2 3 389.412 1.690 20 0 GDADHL CCOc1c(F)cccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821389321 599619785 /nfs/dbraw/zinc/61/97/85/599619785.db2.gz IZPCWKOHJWBAAL-UHFFFAOYSA-N -2 3 391.384 1.523 20 0 GDADHL CCOc1c(F)cccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821389321 599619786 /nfs/dbraw/zinc/61/97/86/599619786.db2.gz IZPCWKOHJWBAAL-UHFFFAOYSA-N -2 3 391.384 1.523 20 0 GDADHL O=C(CCC1CCOCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822950417 599623389 /nfs/dbraw/zinc/62/33/89/599623389.db2.gz NJWYPFHYEJHZDR-UHFFFAOYSA-N -2 3 399.860 1.532 20 0 GDADHL O=C(CCC1CCOCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822950417 599623390 /nfs/dbraw/zinc/62/33/90/599623390.db2.gz NJWYPFHYEJHZDR-UHFFFAOYSA-N -2 3 399.860 1.532 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cccc2cnccc21 ZINC000823285597 599684891 /nfs/dbraw/zinc/68/48/91/599684891.db2.gz XHTJDUZSWGWCNC-UHFFFAOYSA-N -2 3 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Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(Cc2ccncc2)c1 ZINC000737301909 598931814 /nfs/dbraw/zinc/93/18/14/598931814.db2.gz VRSOBVBHHPJAFK-UHFFFAOYSA-N -2 3 396.436 1.616 20 0 GDADHL CCOC(=O)c1csc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000736606035 598968712 /nfs/dbraw/zinc/96/87/12/598968712.db2.gz VEYKSXQDOBMRAD-UHFFFAOYSA-N -2 3 394.438 1.609 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc(F)ccc1F ZINC000737298384 598976346 /nfs/dbraw/zinc/97/63/46/598976346.db2.gz IWTYOMRJQSMNEP-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc(F)ccc1F ZINC000737298384 598976348 /nfs/dbraw/zinc/97/63/48/598976348.db2.gz IWTYOMRJQSMNEP-UHFFFAOYSA-N -2 3 379.348 1.572 20 0 GDADHL Cc1cccc(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737391431 598976979 /nfs/dbraw/zinc/97/69/79/598976979.db2.gz BELWXHFGKNOYEG-UHFFFAOYSA-N -2 3 385.449 1.921 20 0 GDADHL Cc1cccc(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737391431 598976980 /nfs/dbraw/zinc/97/69/80/598976980.db2.gz BELWXHFGKNOYEG-UHFFFAOYSA-N -2 3 385.449 1.921 20 0 GDADHL Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737612541 599025556 /nfs/dbraw/zinc/02/55/56/599025556.db2.gz KWEGCKXVGMOAON-UHFFFAOYSA-N -2 3 382.405 1.477 20 0 GDADHL Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737612541 599025558 /nfs/dbraw/zinc/02/55/58/599025558.db2.gz KWEGCKXVGMOAON-UHFFFAOYSA-N -2 3 382.405 1.477 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC=CC1 ZINC000738138587 599026082 /nfs/dbraw/zinc/02/60/82/599026082.db2.gz GHEUYKITCGPXEJ-UHFFFAOYSA-N -2 3 387.343 1.657 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC=CC1 ZINC000738138587 599026084 /nfs/dbraw/zinc/02/60/84/599026084.db2.gz GHEUYKITCGPXEJ-UHFFFAOYSA-N -2 3 387.343 1.657 20 0 GDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cccc(Br)c1 ZINC000823583549 599234944 /nfs/dbraw/zinc/23/49/44/599234944.db2.gz TTXKSBKFFNURNY-UHFFFAOYSA-N -2 3 381.215 1.825 20 0 GDADHL O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)c2ccccc21 ZINC000738212778 599237424 /nfs/dbraw/zinc/23/74/24/599237424.db2.gz ZCXSFTVCPATQFV-LLVKDONJSA-N -2 3 385.405 1.634 20 0 GDADHL O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)c2ccccc21 ZINC000738212778 599237429 /nfs/dbraw/zinc/23/74/29/599237429.db2.gz ZCXSFTVCPATQFV-LLVKDONJSA-N -2 3 385.405 1.634 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c(F)c1 ZINC000267264329 597513475 /nfs/dbraw/zinc/51/34/75/597513475.db2.gz QUXNKGFUPNVUSY-UHFFFAOYSA-N -2 3 381.385 1.889 20 0 GDADHL Cc1nn2cc(S(=O)(=O)[N-]c3cccc(-c4nnn[n-]4)c3)cnc2c1Cl ZINC000486892584 607319040 /nfs/dbraw/zinc/31/90/40/607319040.db2.gz HDPMJPXNDVEBNP-UHFFFAOYSA-N -2 3 390.816 1.672 20 0 GDADHL Cc1nn2cc(S(=O)(=O)[N-]c3cccc(-c4nn[n-]n4)c3)cnc2c1Cl ZINC000486892584 607319041 /nfs/dbraw/zinc/31/90/41/607319041.db2.gz HDPMJPXNDVEBNP-UHFFFAOYSA-N -2 3 390.816 1.672 20 0 GDADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737793968 599284159 /nfs/dbraw/zinc/28/41/59/599284159.db2.gz AKDRCERDFFYIQJ-ZHACJKMWSA-N -2 3 375.454 1.949 20 0 GDADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737793968 599284161 /nfs/dbraw/zinc/28/41/61/599284161.db2.gz AKDRCERDFFYIQJ-ZHACJKMWSA-N -2 3 375.454 1.949 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)[nH]1 ZINC000737236152 598416419 /nfs/dbraw/zinc/41/64/19/598416419.db2.gz DSQJUUYFHOBROU-UHFFFAOYSA-N -2 3 380.817 1.584 20 0 GDADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)[nH]1 ZINC000737236152 598416420 /nfs/dbraw/zinc/41/64/20/598416420.db2.gz DSQJUUYFHOBROU-UHFFFAOYSA-N -2 3 380.817 1.584 20 0 GDADHL CCS[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736664091 598481962 /nfs/dbraw/zinc/48/19/62/598481962.db2.gz INPHFYQMSUZXSJ-CYBMUJFWSA-N -2 3 383.499 1.590 20 0 GDADHL CCS[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736664091 598481964 /nfs/dbraw/zinc/48/19/64/598481964.db2.gz INPHFYQMSUZXSJ-CYBMUJFWSA-N -2 3 383.499 1.590 20 0 GDADHL COC(=O)c1sc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736957901 598512618 /nfs/dbraw/zinc/51/26/18/598512618.db2.gz XHGDAXYTZJOTFO-UHFFFAOYSA-N -2 3 379.423 1.824 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735551277 598564429 /nfs/dbraw/zinc/56/44/29/598564429.db2.gz QFZGIQXBKPYCKF-LLVKDONJSA-N -2 3 389.412 1.756 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735551277 598564432 /nfs/dbraw/zinc/56/44/32/598564432.db2.gz QFZGIQXBKPYCKF-LLVKDONJSA-N -2 3 389.412 1.756 20 0 GDADHL CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000737023063 598566860 /nfs/dbraw/zinc/56/68/60/598566860.db2.gz IFAHXUBHVCQIHH-UHFFFAOYSA-N -2 3 388.409 1.301 20 0 GDADHL CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000737023063 598566863 /nfs/dbraw/zinc/56/68/63/598566863.db2.gz IFAHXUBHVCQIHH-UHFFFAOYSA-N -2 3 388.409 1.301 20 0 GDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1C(=O)[O-] ZINC000738213105 598627717 /nfs/dbraw/zinc/62/77/17/598627717.db2.gz FISJNLGVLZLIRU-UHFFFAOYSA-N -4 3 389.349 1.064 20 0 GDADHL Cc1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)cn1 ZINC000737497374 598663932 /nfs/dbraw/zinc/66/39/32/598663932.db2.gz BAGZKPMQKZZXIS-UHFFFAOYSA-N -2 3 385.331 1.785 20 0 GDADHL Cc1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cn1 ZINC000737497374 598663933 /nfs/dbraw/zinc/66/39/33/598663933.db2.gz BAGZKPMQKZZXIS-UHFFFAOYSA-N -2 3 385.331 1.785 20 0 GDADHL CC(C)c1ocnc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735952951 598739408 /nfs/dbraw/zinc/73/94/08/598739408.db2.gz DHZMZWPSJSEUSU-UHFFFAOYSA-N -2 3 396.816 1.750 20 0 GDADHL CC(C)c1ocnc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735952951 598739409 /nfs/dbraw/zinc/73/94/09/598739409.db2.gz DHZMZWPSJSEUSU-UHFFFAOYSA-N -2 3 396.816 1.750 20 0 GDADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737488271 598816248 /nfs/dbraw/zinc/81/62/48/598816248.db2.gz NJHVYCXFRMAHRN-UHFFFAOYSA-N -2 3 397.370 1.657 20 0 GDADHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738319297 599304449 /nfs/dbraw/zinc/30/44/49/599304449.db2.gz UUYAHJTWXBEZCD-VIFPVBQESA-N -2 3 375.357 1.389 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1(c2ccccc2F)CC1 ZINC000738138567 599517857 /nfs/dbraw/zinc/51/78/57/599517857.db2.gz FYEQTFRIBHDNJO-UHFFFAOYSA-N -2 3 387.396 1.543 20 0 GDADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1(c2ccccc2F)CC1 ZINC000738138567 599517860 /nfs/dbraw/zinc/51/78/60/599517860.db2.gz FYEQTFRIBHDNJO-UHFFFAOYSA-N -2 3 387.396 1.543 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000819866405 599619590 /nfs/dbraw/zinc/61/95/90/599619590.db2.gz MIXGGCRFXOROTO-LLVKDONJSA-N -2 3 389.412 1.756 20 0 GDADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000819866405 599619591 /nfs/dbraw/zinc/61/95/91/599619591.db2.gz MIXGGCRFXOROTO-LLVKDONJSA-N -2 3 389.412 1.756 20 0 GDADHL CCOc1c(F)cccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821390502 599619911 /nfs/dbraw/zinc/61/99/11/599619911.db2.gz YIVYTRUFHIPJHY-UHFFFAOYSA-N -2 3 391.384 1.523 20 0 GDADHL CCOc1c(F)cccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821390502 599619912 /nfs/dbraw/zinc/61/99/12/599619912.db2.gz YIVYTRUFHIPJHY-UHFFFAOYSA-N -2 3 391.384 1.523 20 0 GDADHL CCOc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1OCC(=O)[O-] ZINC000370728103 599748293 /nfs/dbraw/zinc/74/82/93/599748293.db2.gz JGACVVPZDBECCA-UHFFFAOYSA-N -2 3 383.364 1.981 20 0 GDADHL CCOc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1OCC(=O)[O-] ZINC000370728103 599748295 /nfs/dbraw/zinc/74/82/95/599748295.db2.gz JGACVVPZDBECCA-UHFFFAOYSA-N -2 3 383.364 1.981 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)N2CCOCC2)o1 ZINC000740175660 599769367 /nfs/dbraw/zinc/76/93/67/599769367.db2.gz RPXAFOZCCXKWIR-CQSZACIVSA-N -2 3 380.422 1.330 20 0 GDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](CN2CCCC2=O)c2ccccc2)o1 ZINC000740173336 599772686 /nfs/dbraw/zinc/77/26/86/599772686.db2.gz ITVDMGJBSLMZKY-CYBMUJFWSA-N -2 3 378.406 1.620 20 0 GDADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000588625822 599926621 /nfs/dbraw/zinc/92/66/21/599926621.db2.gz OKSJVJUSDDSHMF-UHFFFAOYSA-N -2 3 396.446 1.726 20 0 GDADHL COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000735269991 600302218 /nfs/dbraw/zinc/30/22/18/600302218.db2.gz UQNUUBASFGGXNC-UHFFFAOYSA-N -2 3 394.405 1.807 20 0 GDADHL COC(=O)[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1ccc(Br)cc1 ZINC000737575949 600496926 /nfs/dbraw/zinc/49/69/26/600496926.db2.gz CQARRFWGOKSVQC-GFCCVEGCSA-N -2 3 394.243 1.447 20 0 GDADHL COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000042792322 600542343 /nfs/dbraw/zinc/54/23/43/600542343.db2.gz QSWMDCBNLLTSTJ-UHFFFAOYSA-N -2 3 395.389 1.746 20 0 GDADHL COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000055580961 600542668 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Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c2)n[nH]1 ZINC000822418762 606395588 /nfs/dbraw/zinc/39/55/88/606395588.db2.gz FRSRIIOIULFOSE-UHFFFAOYSA-N -2 3 397.424 1.464 20 0 GDADHL Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c2)n[nH]1 ZINC000822418762 606395589 /nfs/dbraw/zinc/39/55/89/606395589.db2.gz FRSRIIOIULFOSE-UHFFFAOYSA-N -2 3 397.424 1.464 20 0 GDADHL COc1ccccc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000821903200 606606517 /nfs/dbraw/zinc/60/65/17/606606517.db2.gz CZBTZPCHQRNBAR-UHFFFAOYSA-N -2 3 377.430 1.628 20 0 GDADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823363781 606677385 /nfs/dbraw/zinc/67/73/85/606677385.db2.gz MUUWMZRIFJUQMY-UHFFFAOYSA-N -2 3 385.290 1.741 20 0 GDADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823363781 606677386 /nfs/dbraw/zinc/67/73/86/606677386.db2.gz MUUWMZRIFJUQMY-UHFFFAOYSA-N -2 3 385.290 1.741 20 0 GDADHL Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822373712 606695954 /nfs/dbraw/zinc/69/59/54/606695954.db2.gz AJSKETOTQQMXDK-UHFFFAOYSA-N -2 3 390.816 1.672 20 0 GDADHL Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822373712 606695955 /nfs/dbraw/zinc/69/59/55/606695955.db2.gz AJSKETOTQQMXDK-UHFFFAOYSA-N -2 3 390.816 1.672 20 0 GDADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000822015064 606709416 /nfs/dbraw/zinc/70/94/16/606709416.db2.gz BJFKFDNSYLFTJE-UHFFFAOYSA-N -2 3 398.246 1.472 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823285492 606746893 /nfs/dbraw/zinc/74/68/93/606746893.db2.gz UJCSJMAVVGPYQP-IAGOWNOFSA-N -2 3 397.460 1.692 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823285492 606746895 /nfs/dbraw/zinc/74/68/95/606746895.db2.gz UJCSJMAVVGPYQP-IAGOWNOFSA-N -2 3 397.460 1.692 20 0 GDADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822941147 606748046 /nfs/dbraw/zinc/74/80/46/606748046.db2.gz RHACYYMFWJTTFG-VIFPVBQESA-N -2 3 385.833 1.284 20 0 GDADHL O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822941147 606748047 /nfs/dbraw/zinc/74/80/47/606748047.db2.gz RHACYYMFWJTTFG-VIFPVBQESA-N -2 3 385.833 1.284 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823284499 606748153 /nfs/dbraw/zinc/74/81/53/606748153.db2.gz IGGTYVJLSANUKL-IAGOWNOFSA-N -2 3 397.460 1.692 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000823284499 606748155 /nfs/dbraw/zinc/74/81/55/606748155.db2.gz IGGTYVJLSANUKL-IAGOWNOFSA-N -2 3 397.460 1.692 20 0 GDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCO[C@@H](C)CC(C)C ZINC000822222469 606749433 /nfs/dbraw/zinc/74/94/33/606749433.db2.gz IFLGDTUHZQDDSW-ZDUSSCGKSA-N -2 3 395.485 1.821 20 0 GDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCO[C@@H](C)CC(C)C ZINC000822222469 606749434 /nfs/dbraw/zinc/74/94/34/606749434.db2.gz IFLGDTUHZQDDSW-ZDUSSCGKSA-N -2 3 395.485 1.821 20 0 GDADHL O=S(=O)([N-]Cc1ccn2ccnc2c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578021 606814981 /nfs/dbraw/zinc/81/49/81/606814981.db2.gz FSONXXYNPWJDDL-UHFFFAOYSA-N -2 3 391.363 1.271 20 0 GDADHL O=S(=O)([N-]C[C@H]1Cc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572657 606887887 /nfs/dbraw/zinc/88/78/87/606887887.db2.gz KBXRAVCXMHERLD-LLVKDONJSA-N -2 3 377.376 1.763 20 0 GDADHL Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822519440 606893179 /nfs/dbraw/zinc/89/31/79/606893179.db2.gz GYYHAGKCVKZQKS-ZETCQYMHSA-N -2 3 384.368 1.789 20 0 GDADHL COC[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C)o1 ZINC000821683905 606894291 /nfs/dbraw/zinc/89/42/91/606894291.db2.gz MZHDUXVMAOUYIP-LBPRGKRZSA-N -2 3 399.379 1.712 20 0 GDADHL COC[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(C)o1 ZINC000821683905 606894293 /nfs/dbraw/zinc/89/42/93/606894293.db2.gz MZHDUXVMAOUYIP-LBPRGKRZSA-N -2 3 399.379 1.712 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1F ZINC000823285157 606922219 /nfs/dbraw/zinc/92/22/19/606922219.db2.gz NMJVVMYLBYMZDK-UHFFFAOYSA-N -2 3 395.803 1.919 20 0 GDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1F ZINC000823285157 606922221 /nfs/dbraw/zinc/92/22/21/606922221.db2.gz NMJVVMYLBYMZDK-UHFFFAOYSA-N -2 3 395.803 1.919 20 0 GDADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000821700714 607103127 /nfs/dbraw/zinc/10/31/27/607103127.db2.gz VOSVJNAZJPLXMU-MRXNPFEDSA-N -2 3 383.364 1.196 20 0 GDADHL Cc1nc(SCC(=O)N(CC(=O)[O-])CC2CC2)c(-c2nnn[n-]2)c(C)c1C ZINC000822453484 607103293 /nfs/dbraw/zinc/10/32/93/607103293.db2.gz JSWDBVWBVTUGKU-UHFFFAOYSA-N -2 3 390.469 1.602 20 0 GDADHL Cc1nc(SCC(=O)N(CC(=O)[O-])CC2CC2)c(-c2nn[n-]n2)c(C)c1C ZINC000822453484 607103294 /nfs/dbraw/zinc/10/32/94/607103294.db2.gz JSWDBVWBVTUGKU-UHFFFAOYSA-N -2 3 390.469 1.602 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000820536632 607105720 /nfs/dbraw/zinc/10/57/20/607105720.db2.gz VRTMGHMEKLPQOS-GFCCVEGCSA-N -2 3 389.412 1.116 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000820536632 607105721 /nfs/dbraw/zinc/10/57/21/607105721.db2.gz VRTMGHMEKLPQOS-GFCCVEGCSA-N -2 3 389.412 1.116 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000820535054 607105821 /nfs/dbraw/zinc/10/58/21/607105821.db2.gz NLGJPRTWEGGOIT-CHWSQXEVSA-N -2 3 389.412 1.116 20 0 GDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000820535054 607105823 /nfs/dbraw/zinc/10/58/23/607105823.db2.gz NLGJPRTWEGGOIT-CHWSQXEVSA-N -2 3 389.412 1.116 20 0 GDADHL O=C([O-])[C@@H](CNC(=O)COc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000823037195 607110967 /nfs/dbraw/zinc/11/09/67/607110967.db2.gz SYVRUYZPCFIWLN-CQSZACIVSA-N -2 3 399.382 1.444 20 0 GDADHL Cc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C(=O)[O-])cc1 ZINC000822230524 607111111 /nfs/dbraw/zinc/11/11/11/607111111.db2.gz JETUOAFNMBTRLZ-XJKSGUPXSA-N -2 3 395.419 1.927 20 0 GDADHL Cc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C(=O)[O-])cc1 ZINC000822230524 607111112 /nfs/dbraw/zinc/11/11/12/607111112.db2.gz JETUOAFNMBTRLZ-XJKSGUPXSA-N -2 3 395.419 1.927 20 0 GDADHL COCCc1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n(C)n1 ZINC000821694292 607122523 /nfs/dbraw/zinc/12/25/23/607122523.db2.gz GSADWSIUMUIEPC-UHFFFAOYSA-N -2 3 397.848 1.243 20 0 GDADHL Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)nn1 ZINC000822224832 607123084 /nfs/dbraw/zinc/12/30/84/607123084.db2.gz CBCJUICPZHIPHV-UHFFFAOYSA-N -2 3 397.424 1.260 20 0 GDADHL Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)nn1 ZINC000822224832 607123085 /nfs/dbraw/zinc/12/30/85/607123085.db2.gz CBCJUICPZHIPHV-UHFFFAOYSA-N -2 3 397.424 1.260 20 0 GDADHL CCOCCC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000821373067 607250930 /nfs/dbraw/zinc/25/09/30/607250930.db2.gz CVSNQJDUUCQIJS-UHFFFAOYSA-N -2 3 379.442 1.269 20 0 GDADHL CCOCCC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000821373067 607250931 /nfs/dbraw/zinc/25/09/31/607250931.db2.gz CVSNQJDUUCQIJS-UHFFFAOYSA-N -2 3 379.442 1.269 20 0 GDADHL Cc1nc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000826323607 607776756 /nfs/dbraw/zinc/77/67/56/607776756.db2.gz KMWCVWRPPLNAFV-UHFFFAOYSA-N -2 3 378.439 1.200 20 0 GDADHL Cc1nc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000826323607 607776757 /nfs/dbraw/zinc/77/67/57/607776757.db2.gz KMWCVWRPPLNAFV-UHFFFAOYSA-N -2 3 378.439 1.200 20 0 GDADHL Cc1nc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c(C)s1 ZINC000826323499 607776764 /nfs/dbraw/zinc/77/67/64/607776764.db2.gz GVALLGPLHYVSOE-UHFFFAOYSA-N -2 3 378.439 1.200 20 0 GDADHL Cc1nc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c(C)s1 ZINC000826323499 607776765 /nfs/dbraw/zinc/77/67/65/607776765.db2.gz GVALLGPLHYVSOE-UHFFFAOYSA-N -2 3 378.439 1.200 20 0 GDADHL CCC(CC)(CO)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825089328 607811887 /nfs/dbraw/zinc/81/18/87/607811887.db2.gz CXWGBCPWXBXKSX-UHFFFAOYSA-N -2 3 375.401 1.222 20 0 GDADHL Cc1cc(NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)ccc1C(=O)[O-] ZINC000826271572 607827407 /nfs/dbraw/zinc/82/74/07/607827407.db2.gz XLEHXNACSFVNNG-UHFFFAOYSA-N -2 3 391.384 1.954 20 0 GDADHL Cc1cc(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)ccc1C(=O)[O-] ZINC000826271572 607827408 /nfs/dbraw/zinc/82/74/08/607827408.db2.gz XLEHXNACSFVNNG-UHFFFAOYSA-N -2 3 391.384 1.954 20 0 GDADHL CC(C)CSCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824274933 607907482 /nfs/dbraw/zinc/90/74/82/607907482.db2.gz NJRRHQWSNQHVKO-UHFFFAOYSA-N -2 3 377.442 1.812 20 0 GDADHL O=C([O-])CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826461030 608010179 /nfs/dbraw/zinc/01/01/79/608010179.db2.gz CIRFLRQWCYZCHY-UHFFFAOYSA-N -2 3 379.320 1.029 20 0 GDADHL O=C([O-])CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826461030 608010180 /nfs/dbraw/zinc/01/01/80/608010180.db2.gz CIRFLRQWCYZCHY-UHFFFAOYSA-N -2 3 379.320 1.029 20 0 GDADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826461101 608011736 /nfs/dbraw/zinc/01/17/36/608011736.db2.gz GECVKAYWBZXBRG-SECBINFHSA-N -2 3 391.331 1.123 20 0 GDADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826461101 608011737 /nfs/dbraw/zinc/01/17/37/608011737.db2.gz GECVKAYWBZXBRG-SECBINFHSA-N -2 3 391.331 1.123 20 0 GDADHL COc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826214123 608075670 /nfs/dbraw/zinc/07/56/70/608075670.db2.gz ATIAGGQRFRLGSN-UHFFFAOYSA-N -2 3 391.384 1.274 20 0 GDADHL COc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826214123 608075671 /nfs/dbraw/zinc/07/56/71/608075671.db2.gz ATIAGGQRFRLGSN-UHFFFAOYSA-N -2 3 391.384 1.274 20 0 GDADHL C[C@@]1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO[C@@H]1C1CC1 ZINC000824838512 608128248 /nfs/dbraw/zinc/12/82/48/608128248.db2.gz RBJCGRYGROLZJC-UKRRQHHQSA-N -2 3 385.396 1.381 20 0 GDADHL CSc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000826229431 608316949 /nfs/dbraw/zinc/31/69/49/608316949.db2.gz DOYJAVGMRTWAKO-UHFFFAOYSA-N -2 3 393.425 1.846 20 0 GDADHL CSc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000826229431 608316951 /nfs/dbraw/zinc/31/69/51/608316951.db2.gz DOYJAVGMRTWAKO-UHFFFAOYSA-N -2 3 393.425 1.846 20 0 GDADHL C[C@H](CO[N-]C(=O)COc1ccccc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000824440562 608385935 /nfs/dbraw/zinc/38/59/35/608385935.db2.gz GALCCENNZUINME-LLVKDONJSA-N -2 3 392.416 1.207 20 0 GDADHL C[C@H](CO[N-]C(=O)COc1ccccc1-c1nn[n-]n1)NC(=O)OC(C)(C)C ZINC000824440562 608385936 /nfs/dbraw/zinc/38/59/36/608385936.db2.gz GALCCENNZUINME-LLVKDONJSA-N -2 3 392.416 1.207 20 0 GDADHL CCn1cc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2OC(F)F)nc1C ZINC000825804835 608490510 /nfs/dbraw/zinc/49/05/10/608490510.db2.gz HZAWYTGWGMGPMI-UHFFFAOYSA-N -2 3 399.383 1.794 20 0 GDADHL CCn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)nc1C ZINC000825804835 608490511 /nfs/dbraw/zinc/49/05/11/608490511.db2.gz HZAWYTGWGMGPMI-UHFFFAOYSA-N -2 3 399.383 1.794 20 0 GDADHL Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824859253 608493856 /nfs/dbraw/zinc/49/38/56/608493856.db2.gz OTXSYPAUFYKQCV-AWEZNQCLSA-N -2 3 391.395 1.251 20 0 GDADHL Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824859253 608493857 /nfs/dbraw/zinc/49/38/57/608493857.db2.gz OTXSYPAUFYKQCV-AWEZNQCLSA-N -2 3 391.395 1.251 20 0 GDADHL O=C([N-]S(=O)(=O)c1ccccc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826450700 609255193 /nfs/dbraw/zinc/25/51/93/609255193.db2.gz ZJBVMYGHQQVYDI-MRXNPFEDSA-N -2 3 398.448 1.341 20 0 GDADHL CC[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825183256 609399279 /nfs/dbraw/zinc/39/92/79/609399279.db2.gz OAKMHJSLIPNVMC-ZFWWWQNUSA-N -2 3 393.469 1.408 20 0 GDADHL CC[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825183256 609399281 /nfs/dbraw/zinc/39/92/81/609399281.db2.gz OAKMHJSLIPNVMC-ZFWWWQNUSA-N -2 3 393.469 1.408 20 0 GDADHL O=S(=O)([N-]c1ccc(OCCO)cc1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493141 609529484 /nfs/dbraw/zinc/52/94/84/609529484.db2.gz VMEDIHDHLSOXEP-UHFFFAOYSA-N -2 3 395.828 1.692 20 0 GDADHL O=C(c1ccc(I)c([O-])c1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000544829221 650446193 /nfs/dbraw/zinc/44/61/93/650446193.db2.gz IMBQXJPGBRIRFT-SECBINFHSA-N -2 3 399.192 1.530 20 0 GDADHL O=C(c1ccc(I)c([O-])c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000544829221 650446195 /nfs/dbraw/zinc/44/61/95/650446195.db2.gz IMBQXJPGBRIRFT-SECBINFHSA-N -2 3 399.192 1.530 20 0 GDADHL CCOC(=O)CCCS(=O)(=O)[N-]c1c(OC)cc(OC)cc1C(=O)[O-] ZINC000547554798 650501857 /nfs/dbraw/zinc/50/18/57/650501857.db2.gz SUVGUBAWAPTAER-UHFFFAOYSA-N -2 3 375.399 1.487 20 0 GDADHL O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000548198691 650533983 /nfs/dbraw/zinc/53/39/83/650533983.db2.gz WKWPEILQRVZPSO-JTQLQIEISA-N -2 3 376.843 1.577 20 0 GDADHL Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C(=O)[O-])c1 ZINC000548549440 650551664 /nfs/dbraw/zinc/55/16/64/650551664.db2.gz OSAJDADGCROWMV-MRVPVSSYSA-N -2 3 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