smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1ncc2c1[n-]cc(C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)c2=O ZINC000181982710 552272094 /nfs/dbraw/zinc/27/20/94/552272094.db2.gz XQMBFEIWSRSHQP-CYBMUJFWSA-N -1 1 376.203 2.975 20 30 GFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1F ZINC000192128318 552552264 /nfs/dbraw/zinc/55/22/64/552552264.db2.gz MDUKMKBMDUURSO-LBPRGKRZSA-N -1 1 382.438 2.621 20 30 GFEDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 ZINC000295200292 563234761 /nfs/dbraw/zinc/23/47/61/563234761.db2.gz SJOFBYCDNMZAMD-SNVBAGLBSA-N -1 1 391.262 2.696 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1Br ZINC000432757441 563592136 /nfs/dbraw/zinc/59/21/36/563592136.db2.gz LUZCDXWJZYLCBH-UHFFFAOYSA-N -1 1 397.206 2.525 20 30 GFEDMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(I)ccc1[O-] ZINC000437476920 563695958 /nfs/dbraw/zinc/69/59/58/563695958.db2.gz SIMQMPQXZBZNOS-QMTHXVAHSA-N -1 1 387.217 2.708 20 30 GFEDMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444198674 563824310 /nfs/dbraw/zinc/82/43/10/563824310.db2.gz ULLJOKNPRSZCET-QMMMGPOBSA-N -1 1 397.268 2.617 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3F)CC2)s1 ZINC000367165394 563834130 /nfs/dbraw/zinc/83/41/30/563834130.db2.gz UUMBNDIOPLYJMN-UHFFFAOYSA-N -1 1 379.482 2.702 20 30 GFEDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H]1CCCCO1 ZINC000451371356 564305635 /nfs/dbraw/zinc/30/56/35/564305635.db2.gz DFFZOELPKLRIQV-ZANVPECISA-N -1 1 391.262 2.696 20 30 GFEDMM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451377166 564306326 /nfs/dbraw/zinc/30/63/26/564306326.db2.gz OWUXGJOBVYVDNO-VIFPVBQESA-N -1 1 381.292 2.880 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC2CC(F)(F)C2)cc1Br ZINC000451571658 564327808 /nfs/dbraw/zinc/32/78/08/564327808.db2.gz VQMFGZOJIDHXPT-UHFFFAOYSA-N -1 1 383.189 2.783 20 30 GFEDMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)cc1 ZINC000476186868 564329873 /nfs/dbraw/zinc/32/98/73/564329873.db2.gz BKUNZGIKPPBNBD-UHFFFAOYSA-N -1 1 378.475 2.737 20 30 GFEDMM N#Cc1cncc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000566826607 564344717 /nfs/dbraw/zinc/34/47/17/564344717.db2.gz QWYOROIIBQFYBW-ZDUSSCGKSA-N -1 1 377.294 2.813 20 30 GFEDMM CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@H](O)C(F)(F)F ZINC000497982920 564883556 /nfs/dbraw/zinc/88/35/56/564883556.db2.gz LNMWCEWMJYWVLI-WPRPVWTQSA-N -1 1 383.285 2.825 20 30 GFEDMM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)nc1C ZINC000613934189 565087000 /nfs/dbraw/zinc/08/70/00/565087000.db2.gz DQNIPQNCFWWMFA-UHFFFAOYSA-N -1 1 399.881 2.632 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cc(Br)c3c(c2)OCCO3)c1 ZINC000589171984 565153139 /nfs/dbraw/zinc/15/31/39/565153139.db2.gz INRQODNVRJWRBS-UHFFFAOYSA-N -1 1 389.205 2.728 20 30 GFEDMM CC(C)CC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000599410846 565677299 /nfs/dbraw/zinc/67/72/99/565677299.db2.gz SRGCCCVZWZNBTI-LLVKDONJSA-N -1 1 393.278 2.535 20 30 GFEDMM C#Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)cn1 ZINC000735390116 598834859 /nfs/dbraw/zinc/83/48/59/598834859.db2.gz OWWXMFGLVADKDY-UHFFFAOYSA-N -1 1 386.440 2.902 20 30 GFEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cn2)cc1 ZINC000737721507 598993465 /nfs/dbraw/zinc/99/34/65/598993465.db2.gz KPAWSMKOLJSZGD-UHFFFAOYSA-N -1 1 384.359 2.573 20 30 GFEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cn2)cc1 ZINC000737721507 598993467 /nfs/dbraw/zinc/99/34/67/598993467.db2.gz KPAWSMKOLJSZGD-UHFFFAOYSA-N -1 1 384.359 2.573 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000737549483 598589248 /nfs/dbraw/zinc/58/92/48/598589248.db2.gz VXZFZJYQIVUJSX-UHFFFAOYSA-N -1 1 377.339 2.822 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000737549483 598589250 /nfs/dbraw/zinc/58/92/50/598589250.db2.gz VXZFZJYQIVUJSX-UHFFFAOYSA-N -1 1 377.339 2.822 20 30 GFEDMM N#Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000822842394 599311475 /nfs/dbraw/zinc/31/14/75/599311475.db2.gz GTLKMKUDUCEYGO-QPEQYQDCSA-N -1 1 380.414 2.737 20 30 GFEDMM N#Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S ZINC000822842394 599311477 /nfs/dbraw/zinc/31/14/77/599311477.db2.gz GTLKMKUDUCEYGO-QPEQYQDCSA-N -1 1 380.414 2.737 20 30 GFEDMM C=CCN=c1scc(-c2ccc(O)cc2)n1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000735429242 599323456 /nfs/dbraw/zinc/32/34/56/599323456.db2.gz RVVRANQGNVBHCF-UHFFFAOYSA-N -1 1 393.432 2.664 20 30 GFEDMM C=CCN=c1scc(-c2ccc(O)cc2)n1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000735429242 599323458 /nfs/dbraw/zinc/32/34/58/599323458.db2.gz RVVRANQGNVBHCF-UHFFFAOYSA-N -1 1 393.432 2.664 20 30 GFEDMM COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738132396 600306644 /nfs/dbraw/zinc/30/66/44/600306644.db2.gz DMHVBYADKOZYJG-JKSUJKDBSA-N -1 1 385.464 2.517 20 30 GFEDMM CCN1CCN(c2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)CC1 ZINC000737117519 600805199 /nfs/dbraw/zinc/80/51/99/600805199.db2.gz WAUSLVYGFFVRII-HXUWFJFHSA-N -1 1 393.443 2.683 20 30 GFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000741657158 601830116 /nfs/dbraw/zinc/83/01/16/601830116.db2.gz KPHCSLLYAWMYOW-UHFFFAOYSA-N -1 1 383.784 2.990 20 30 GFEDMM N#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000760365849 602119301 /nfs/dbraw/zinc/11/93/01/602119301.db2.gz ZJSHSNVJUJHQDC-UHFFFAOYSA-N -1 1 384.772 2.880 20 30 GFEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000738490782 602399524 /nfs/dbraw/zinc/39/95/24/602399524.db2.gz BDZMNRPWOFBWGZ-HZPDHXFCSA-N -1 1 379.526 2.973 20 30 GFEDMM C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000739089419 602446402 /nfs/dbraw/zinc/44/64/02/602446402.db2.gz LFMZJMUWJGFHKN-QNBXZPKWSA-N -1 1 378.517 2.674 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC([C@H](C)NC(=O)[O-])CC2)cc1 ZINC000740131600 602450390 /nfs/dbraw/zinc/45/03/90/602450390.db2.gz XOKCEJURFHNMSR-DLBZAZTESA-N -1 1 386.496 2.998 20 30 GFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000740067424 602770587 /nfs/dbraw/zinc/77/05/87/602770587.db2.gz RASICCDSJSKXGL-ZIFCJYIRSA-N -1 1 386.496 2.917 20 30 GFEDMM CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCN(C(=O)[O-])CC1 ZINC000828120134 603980822 /nfs/dbraw/zinc/98/08/22/603980822.db2.gz CKOUJYNCSQPJOX-UHFFFAOYSA-N -1 1 390.509 2.901 20 30 GFEDMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)c1ccc(C#N)[nH]1 ZINC000826271791 607696706 /nfs/dbraw/zinc/69/67/06/607696706.db2.gz HPSPENQTVAXTTL-UHFFFAOYSA-N -1 1 386.375 2.815 20 30 GFEDMM C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833515166 604689720 /nfs/dbraw/zinc/68/97/20/604689720.db2.gz AGPODHJLXPCNOR-NSHDSACASA-N -1 1 377.447 2.975 20 30 GFEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833366758 605123778 /nfs/dbraw/zinc/12/37/78/605123778.db2.gz HXEGOZPSESNWIJ-UHFFFAOYSA-N -1 1 389.404 2.755 20 30 GFEDMM Cc1cnn(-c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000833754288 605190800 /nfs/dbraw/zinc/19/08/00/605190800.db2.gz KTYFWVFHEZWODQ-UHFFFAOYSA-N -1 1 396.428 2.860 20 30 GFEDMM CCOc1ccc(C2N=NC(=S)N2N=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821399889 606368555 /nfs/dbraw/zinc/36/85/55/606368555.db2.gz DNKDOFYDJHJMBI-UHFFFAOYSA-N -1 1 398.477 2.756 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1cc(F)ccc1C#N ZINC000822540526 607075843 /nfs/dbraw/zinc/07/58/43/607075843.db2.gz DAMSJOHLPHTXQE-UHFFFAOYSA-N -1 1 392.350 2.927 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1cc(F)ccc1C#N ZINC000822540526 607075844 /nfs/dbraw/zinc/07/58/44/607075844.db2.gz DAMSJOHLPHTXQE-UHFFFAOYSA-N -1 1 392.350 2.927 20 30 GFEDMM CCCCCCCCNC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000825271694 607861182 /nfs/dbraw/zinc/86/11/82/607861182.db2.gz MARVYLKWPWOZKE-UHFFFAOYSA-N -1 1 398.515 2.936 20 30 GFEDMM CCCCCCCCNC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000825271694 607861183 /nfs/dbraw/zinc/86/11/83/607861183.db2.gz MARVYLKWPWOZKE-UHFFFAOYSA-N -1 1 398.515 2.936 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(Br)nc2)o1 ZINC000824142019 607930970 /nfs/dbraw/zinc/93/09/70/607930970.db2.gz RBCWJSISEPQSMQ-UHFFFAOYSA-N -1 1 391.233 2.756 20 30 GFEDMM C=C(CC)COC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000823878109 608316156 /nfs/dbraw/zinc/31/61/56/608316156.db2.gz PAJQDGDOYOXZES-UHFFFAOYSA-N -1 1 389.359 2.588 20 30 GFEDMM C=CC[C@@H](CO)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000823888772 608533073 /nfs/dbraw/zinc/53/30/73/608533073.db2.gz WEFQJKYDRXRSOV-CQSZACIVSA-N -1 1 398.492 2.579 20 30 GFEDMM N#Cc1ncn(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1-c1nn[n-]n1 ZINC000826388153 660454135 /nfs/dbraw/zinc/45/41/35/660454135.db2.gz KJCRKJJIHMNCDC-UHFFFAOYSA-N -1 1 397.613 2.534 20 30 GFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000121968018 654726125 /nfs/dbraw/zinc/72/61/25/654726125.db2.gz BPYKUZTXGYAUIP-UHFFFAOYSA-N -1 1 375.837 2.928 20 30 GFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)ccc1Cl ZINC000055579489 654777909 /nfs/dbraw/zinc/77/79/09/654777909.db2.gz LVEBTUSTFKGCRO-UHFFFAOYSA-N -1 1 376.825 2.542 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1Cl ZINC000108344802 655131550 /nfs/dbraw/zinc/13/15/50/655131550.db2.gz PCRYPSFLNUOSPZ-UHFFFAOYSA-N -1 1 377.853 2.849 20 30 GFEDMM C#CCO[C@H](C)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000299096034 655374542 /nfs/dbraw/zinc/37/45/42/655374542.db2.gz VORPMQDJELEPBR-SSDOTTSWSA-N -1 1 377.032 2.894 20 30 GFEDMM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000579362921 655498361 /nfs/dbraw/zinc/49/83/61/655498361.db2.gz XYUHKXKFKKMJIP-TVQRCGJNSA-N -1 1 393.278 2.535 20 30 GFEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)c1 ZINC000774606560 656540223 /nfs/dbraw/zinc/54/02/23/656540223.db2.gz ULIRGNHIIMUNED-UHFFFAOYSA-N -1 1 383.878 2.667 20 30 GFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000778827890 656892206 /nfs/dbraw/zinc/89/22/06/656892206.db2.gz DYOAYWOFWPIRMZ-QFYYESIMSA-N -1 1 383.242 2.754 20 30 GFEDMM C#CCCCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795878989 658866385 /nfs/dbraw/zinc/86/63/85/658866385.db2.gz AEMWXPUEGAQAHF-UHFFFAOYSA-N -1 1 379.207 2.578 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795969567 658877785 /nfs/dbraw/zinc/87/77/85/658877785.db2.gz DMWOJNBPTRFRHW-BONVTDFDSA-N -1 1 391.848 2.525 20 30 GFEDMM N#CC1CCC(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815042262 660106298 /nfs/dbraw/zinc/10/62/98/660106298.db2.gz WIPPJQAZKSAZTK-UHFFFAOYSA-N -1 1 375.809 2.996 20 30 GFEDMM N#Cc1ccc(-c2cccc(C[N-]S(=O)(=O)N=S3(=O)CCCC3)c2)s1 ZINC000866852184 662503796 /nfs/dbraw/zinc/50/37/96/662503796.db2.gz MZYAORTUWLQDRU-UHFFFAOYSA-N -1 1 395.531 2.883 20 30 GFEDMM C[S@@](=O)(=NS(=O)(=O)[N-]C1(c2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000882007061 663013347 /nfs/dbraw/zinc/01/33/47/663013347.db2.gz FNTSTFWNVCOYKU-DEOSSOPVSA-N -1 1 381.523 2.812 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)c1 ZINC000901771769 663745494 /nfs/dbraw/zinc/74/54/94/663745494.db2.gz IFLCPFNRQSQVIA-JTQLQIEISA-N -1 1 387.177 2.581 20 30 GFEDMM C=CCOC[C@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000901808379 663746609 /nfs/dbraw/zinc/74/66/09/663746609.db2.gz IRFYSAJIXOTRJH-LBPRGKRZSA-N -1 1 380.185 2.796 20 30 GFEDMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccc(C)c(C)c1 ZINC000914384379 664405117 /nfs/dbraw/zinc/40/51/17/664405117.db2.gz SXAJNNTUJAZPSG-MRXNPFEDSA-N -1 1 378.475 2.570 20 30 GFEDMM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000063879677 551184980 /nfs/dbraw/zinc/18/49/80/551184980.db2.gz OEDHLFQHCCIQBO-UHFFFAOYSA-N -1 1 384.866 2.557 20 30 GFEDMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1C(N)=O ZINC000153983605 551464594 /nfs/dbraw/zinc/46/45/94/551464594.db2.gz OKYCHWKZWLTHSO-UHFFFAOYSA-N -1 1 394.250 2.529 20 30 GFEDMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000180176683 552216229 /nfs/dbraw/zinc/21/62/29/552216229.db2.gz FANKHUFNUZSOFI-UHFFFAOYSA-N -1 1 384.866 2.806 20 30 GFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000188993852 552460350 /nfs/dbraw/zinc/46/03/50/552460350.db2.gz BQFHOVWTANQYPO-AWEZNQCLSA-N -1 1 376.821 2.518 20 30 GFEDMM Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c1 ZINC000192127418 552551679 /nfs/dbraw/zinc/55/16/79/552551679.db2.gz XVTBUALDEZMTON-AWEZNQCLSA-N -1 1 378.475 2.623 20 30 GFEDMM CCOCCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000296792393 563301760 /nfs/dbraw/zinc/30/17/60/563301760.db2.gz SVUGPICXOOCQGU-UHFFFAOYSA-N -1 1 379.251 2.555 20 30 GFEDMM Cc1ncc(S(=O)(=O)Nc2ccc(Br)c(C(=O)[O-])c2)cc1C#N ZINC000324485689 563452382 /nfs/dbraw/zinc/45/23/82/563452382.db2.gz CRVZYFHPSFBQPQ-UHFFFAOYSA-N -1 1 396.222 2.523 20 30 GFEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)CC1(C)CCCCC1 ZINC000329873919 563489973 /nfs/dbraw/zinc/48/99/73/563489973.db2.gz CMLJSDMLLBFBNV-UHFFFAOYSA-N -1 1 375.516 2.752 20 30 GFEDMM N#Cc1ccc(C(=O)NC[C@@H](CO)Cc2ccccc2Br)cc1[O-] ZINC000430157340 563536527 /nfs/dbraw/zinc/53/65/27/563536527.db2.gz DAFQTKGCKMXJGD-LBPRGKRZSA-N -1 1 389.249 2.607 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1Br ZINC000432774310 563592808 /nfs/dbraw/zinc/59/28/08/563592808.db2.gz OIIJXOMZTKPKIN-UHFFFAOYSA-N -1 1 395.238 2.612 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(N3CCNC3=O)ccc2Cl)s1 ZINC000435498033 563653116 /nfs/dbraw/zinc/65/31/16/563653116.db2.gz ZMRXEQHZQQDINS-UHFFFAOYSA-N -1 1 382.854 2.604 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(I)ccc1[O-] ZINC000437476918 563696088 /nfs/dbraw/zinc/69/60/88/563696088.db2.gz SIMQMPQXZBZNOS-HZMBPMFUSA-N -1 1 387.217 2.708 20 30 GFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000442307531 563771060 /nfs/dbraw/zinc/77/10/60/563771060.db2.gz PESFTQNNCGPETO-UHFFFAOYSA-N -1 1 394.250 2.529 20 30 GFEDMM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451248533 564291426 /nfs/dbraw/zinc/29/14/26/564291426.db2.gz DEVKQJMSYREVPF-OLZOCXBDSA-N -1 1 391.262 2.696 20 30 GFEDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H]1CCCOC1 ZINC000451383256 564307623 /nfs/dbraw/zinc/30/76/23/564307623.db2.gz KMBYDIJTDIRBFT-NXEZZACHSA-N -1 1 391.262 2.553 20 30 GFEDMM CC(C)SCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451579084 564328284 /nfs/dbraw/zinc/32/82/84/564328284.db2.gz YACUOWRRGKXACO-UHFFFAOYSA-N -1 1 381.292 2.880 20 30 GFEDMM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]CC(F)(F)C(F)F ZINC000486015652 564635067 /nfs/dbraw/zinc/63/50/67/564635067.db2.gz KEJOYVFLPBVKDV-UHFFFAOYSA-N -1 1 397.268 2.671 20 30 GFEDMM C[C@@H]1CC([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@@H](C)O1 ZINC000581351711 564798045 /nfs/dbraw/zinc/79/80/45/564798045.db2.gz UGCBLVNKCMJBRQ-RKDXNWHRSA-N -1 1 391.262 2.694 20 30 GFEDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000497944178 564880083 /nfs/dbraw/zinc/88/00/83/564880083.db2.gz LIBBRCMJIGXIFE-PSASIEDQSA-N -1 1 383.285 2.825 20 30 GFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000589193992 565155445 /nfs/dbraw/zinc/15/54/45/565155445.db2.gz OPXSJWNHGPHYEW-HNNXBMFYSA-N -1 1 376.821 2.518 20 30 GFEDMM CS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1Cl ZINC000619463887 565342751 /nfs/dbraw/zinc/34/27/51/565342751.db2.gz SEAMFISVQZECBR-UHFFFAOYSA-N -1 1 384.866 2.610 20 30 GFEDMM C[C@H](C#N)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000609919692 566059289 /nfs/dbraw/zinc/05/92/89/566059289.db2.gz AVUUHGZPDISWMD-SNVBAGLBSA-N -1 1 379.825 2.945 20 30 GFEDMM CC(=CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccc1C(F)(F)F ZINC000819764766 599312544 /nfs/dbraw/zinc/31/25/44/599312544.db2.gz KYDJBSBAFSQDBF-SOFGYWHQSA-N -1 1 388.313 2.522 20 30 GFEDMM C#CCN(CC#CC)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819698270 599675153 /nfs/dbraw/zinc/67/51/53/599675153.db2.gz WAJLBLWXTBEPSQ-UHFFFAOYSA-N -1 1 390.472 2.763 20 30 GFEDMM Cc1cc(C=NNc2ccccc2S(C)(=O)=O)cc(C)c1OCC(=O)[O-] ZINC000738379905 600181660 /nfs/dbraw/zinc/18/16/60/600181660.db2.gz VQXWDTUTWMGBRD-UHFFFAOYSA-N -1 1 376.434 2.616 20 30 GFEDMM Cn1cc(S(=O)(=O)Nc2cccc(C#Cc3ccccc3)c2)cc1C(=O)[O-] ZINC000491060171 600809182 /nfs/dbraw/zinc/80/91/82/600809182.db2.gz NCIIFDIIWJOYLV-UHFFFAOYSA-N -1 1 380.425 2.924 20 30 GFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000825625992 601332905 /nfs/dbraw/zinc/33/29/05/601332905.db2.gz SEDMJGJPHBAOGF-BJMVGYQFSA-N -1 1 375.377 2.736 20 30 GFEDMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000739012733 602263114 /nfs/dbraw/zinc/26/31/14/602263114.db2.gz WCSXJQBIVZCYJT-QRTARXTBSA-N -1 1 393.447 2.734 20 30 GFEDMM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826256495 607649182 /nfs/dbraw/zinc/64/91/82/607649182.db2.gz MEGYYLCGEBDOEN-UHFFFAOYSA-N -1 1 389.824 2.776 20 30 GFEDMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC#Cc1cccc(Cl)c1 ZINC000826293835 607717467 /nfs/dbraw/zinc/71/74/67/607717467.db2.gz CINGUTCCHGGWCN-UHFFFAOYSA-N -1 1 376.807 2.590 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)[C@H]2CCCCN2C(=O)OC(C)(C)C)o1 ZINC000819782996 606370453 /nfs/dbraw/zinc/37/04/53/606370453.db2.gz SGQBBEYOGRHFLX-GFCCVEGCSA-N -1 1 390.448 2.741 20 30 GFEDMM CSc1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c(Cl)cc1Cl ZINC000821979868 606759806 /nfs/dbraw/zinc/75/98/06/606759806.db2.gz ZUPIKCSEYZMKRP-UHFFFAOYSA-N -1 1 395.235 2.742 20 30 GFEDMM N#Cc1ccccc1OCc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)o1 ZINC000822842570 607110335 /nfs/dbraw/zinc/11/03/35/607110335.db2.gz OKWRQYPONJBVAJ-UHFFFAOYSA-N -1 1 393.388 2.619 20 30 GFEDMM N#Cc1ccccc1OCc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)o1 ZINC000822842570 607110338 /nfs/dbraw/zinc/11/03/38/607110338.db2.gz OKWRQYPONJBVAJ-UHFFFAOYSA-N -1 1 393.388 2.619 20 30 GFEDMM C=C[C@@H](CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823882950 607980697 /nfs/dbraw/zinc/98/06/97/607980697.db2.gz GWXPJTKKOONGER-AWEZNQCLSA-N -1 1 395.419 2.918 20 30 GFEDMM N#Cc1cccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)c1F ZINC000826386476 608673255 /nfs/dbraw/zinc/67/32/55/608673255.db2.gz GVEFBQMIDNORAQ-UHFFFAOYSA-N -1 1 380.770 2.894 20 30 GFEDMM N#Cc1cccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1F ZINC000826386777 609482667 /nfs/dbraw/zinc/48/26/67/609482667.db2.gz SIKHAZLUDWIKCT-UHFFFAOYSA-N -1 1 378.346 2.814 20 30 GFEDMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1F ZINC000063149927 654849798 /nfs/dbraw/zinc/84/97/98/654849798.db2.gz XFNWYGRYMOHMRM-UHFFFAOYSA-N -1 1 388.829 2.555 20 30 GFEDMM CSc1nc(C)c(CCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000113179092 655204559 /nfs/dbraw/zinc/20/45/59/655204559.db2.gz VJFMAJXGTPGKSH-CQSZACIVSA-N -1 1 376.869 2.767 20 30 GFEDMM C=C(Br)CNC(=O)c1ccc(I)c([O-])c1 ZINC000230890739 655423526 /nfs/dbraw/zinc/42/35/26/655423526.db2.gz RKURAGWYFQGILT-UHFFFAOYSA-N -1 1 381.995 2.635 20 30 GFEDMM C#Cc1cccc(NC(=S)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000726459769 655534977 /nfs/dbraw/zinc/53/49/77/655534977.db2.gz SYFKVCGJMMIJET-UHFFFAOYSA-N -1 1 375.475 2.857 20 30 GFEDMM N#CCOc1cccc(CC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765751990 656150772 /nfs/dbraw/zinc/15/07/72/656150772.db2.gz CMSYHMGDRSWABI-UHFFFAOYSA-N -1 1 375.222 2.916 20 30 GFEDMM O=c1cn[n-]c(=S)n1N=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000766482547 656172817 /nfs/dbraw/zinc/17/28/17/656172817.db2.gz ONRTVJXHNDKWBT-UHFFFAOYSA-N -1 1 383.380 2.952 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2[N+](=O)[O-])c(=O)o1 ZINC000767717562 656216721 /nfs/dbraw/zinc/21/67/21/656216721.db2.gz BDTAKYJJWUKXBP-LYKUJDHUSA-N -1 1 380.150 2.586 20 30 GFEDMM Cn1cc(S(=O)(=O)[N-][C@@H](C#N)c2cccc(C(F)(F)F)c2)nc1Cl ZINC000770728294 656328787 /nfs/dbraw/zinc/32/87/87/656328787.db2.gz AVXIGSAPIKXDPO-JTQLQIEISA-N -1 1 378.763 2.635 20 30 GFEDMM N#CC1(CS(=O)(=O)[N-]CC(=O)OCc2ccccc2Cl)CCCCC1 ZINC000772676428 656385698 /nfs/dbraw/zinc/38/56/98/656385698.db2.gz OPWNVPGUXNHYBU-UHFFFAOYSA-N -1 1 384.885 2.777 20 30 GFEDMM COC(=O)c1cc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c(F)cc1Cl ZINC000795976667 658878501 /nfs/dbraw/zinc/87/85/01/658878501.db2.gz QAJVVCVKMNXGLX-UHFFFAOYSA-N -1 1 388.848 2.874 20 30 GFEDMM CC1(C)CC(=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2sccc2O1 ZINC000814865549 660097417 /nfs/dbraw/zinc/09/74/17/660097417.db2.gz SXESCXMXZRCPGU-UHFFFAOYSA-N -1 1 381.435 2.900 20 30 GFEDMM CC(=O)c1cc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)ccc1Br ZINC000901772832 663745561 /nfs/dbraw/zinc/74/55/61/663745561.db2.gz RXAXVNKXVFFSQU-LLVKDONJSA-N -1 1 399.188 2.775 20 30 GFEDMM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(CCC#N)cc2)c1Br ZINC000903140628 663775554 /nfs/dbraw/zinc/77/55/54/663775554.db2.gz MAYOWGSQHBGTOH-UHFFFAOYSA-N -1 1 383.271 2.748 20 30 GFEDMM Cc1cc(S(=O)(=O)[N-]c2c(Br)cnn2C2CC2)ccc1C#N ZINC000903673128 663801229 /nfs/dbraw/zinc/80/12/29/663801229.db2.gz DGZIWLYSJZRUOQ-UHFFFAOYSA-N -1 1 381.255 2.961 20 30 GFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c(Br)cnn1C1CC1 ZINC000903673459 663801369 /nfs/dbraw/zinc/80/13/69/663801369.db2.gz SONJSVTZUANGAB-UHFFFAOYSA-N -1 1 381.255 2.961 20 30 GFEDMM Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000057119980 205154777 /nfs/dbraw/zinc/15/47/77/205154777.db2.gz SNTUMAAUWUOMGH-UHFFFAOYSA-N -1 1 382.401 2.908 20 30 GFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055664095 551174564 /nfs/dbraw/zinc/17/45/64/551174564.db2.gz JUJJXJKYTYBPEU-UHFFFAOYSA-N -1 1 375.837 2.928 20 30 GFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(CS(C)(=O)=O)c1C ZINC000172592037 551682368 /nfs/dbraw/zinc/68/23/68/551682368.db2.gz KNSWUYMFKHFVBM-UHFFFAOYSA-N -1 1 378.475 2.521 20 30 GFEDMM CCCc1n[n-]c(=S)n1CC(=O)NCCSCc1ccccc1C#N ZINC000198470005 553052101 /nfs/dbraw/zinc/05/21/01/553052101.db2.gz QJPYYHDIOYWSLI-UHFFFAOYSA-N -1 1 375.523 2.814 20 30 GFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(I)cc1Cl ZINC000232147409 553066189 /nfs/dbraw/zinc/06/61/89/553066189.db2.gz YDCFYNKONPEEAH-QMMMGPOBSA-N -1 1 384.626 2.988 20 30 GFEDMM C=CCn1c(C)nnc1SCC([O-])=C(C(=O)OCC)c1nc(C)cs1 ZINC000298297662 563350420 /nfs/dbraw/zinc/35/04/20/563350420.db2.gz IQICXVRUFFLKNI-ZDUSSCGKSA-N -1 1 380.495 2.546 20 30 GFEDMM Cc1ncc(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)cc1C#N ZINC000324536377 563452240 /nfs/dbraw/zinc/45/22/40/563452240.db2.gz NJVHRRLEJIVSSF-UHFFFAOYSA-N -1 1 396.222 2.523 20 30 GFEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000329865912 563489842 /nfs/dbraw/zinc/48/98/42/563489842.db2.gz AQOFMNXUNSYZHJ-CMPLNLGQSA-N -1 1 389.543 2.854 20 30 GFEDMM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)nc1C ZINC000435440392 563651082 /nfs/dbraw/zinc/65/10/82/563651082.db2.gz WIBNNRXEPHBJLZ-VIFPVBQESA-N -1 1 385.492 2.601 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000435585397 563653398 /nfs/dbraw/zinc/65/33/98/563653398.db2.gz RSUSRKHKKNKWBX-OTYXRUKQSA-N -1 1 396.253 2.987 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000435585398 563653407 /nfs/dbraw/zinc/65/34/07/563653407.db2.gz RSUSRKHKKNKWBX-XPTSAGLGSA-N -1 1 396.253 2.987 20 30 GFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000540516354 564250468 /nfs/dbraw/zinc/25/04/68/564250468.db2.gz CWQPHKAYJUCKLV-UHFFFAOYSA-N -1 1 381.475 2.597 20 30 GFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](c1nc(C)cs1)C(F)(F)F ZINC000451069956 564270208 /nfs/dbraw/zinc/27/02/08/564270208.db2.gz WHAPUTWLSZKKJP-GFCCVEGCSA-N -1 1 391.396 2.914 20 30 GFEDMM CC[C@H](CSC)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451377165 564306717 /nfs/dbraw/zinc/30/67/17/564306717.db2.gz OWUXGJOBVYVDNO-SECBINFHSA-N -1 1 381.292 2.880 20 30 GFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccc(Cl)cc1Cl ZINC000451390431 564308254 /nfs/dbraw/zinc/30/82/54/564308254.db2.gz CNVNLPILXRHERZ-ZDUSSCGKSA-N -1 1 391.276 2.821 20 30 GFEDMM C=CC[C@@H](CC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451490257 564318717 /nfs/dbraw/zinc/31/87/17/564318717.db2.gz LNBRZQKRUCMNNR-GFCCVEGCSA-N -1 1 378.491 2.610 20 30 GFEDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)CC#N)cc1 ZINC000476217303 564330156 /nfs/dbraw/zinc/33/01/56/564330156.db2.gz LRHMBURWXATYMT-UHFFFAOYSA-N -1 1 384.866 2.747 20 30 GFEDMM N#Cc1c(Br)cccc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000568300985 564413375 /nfs/dbraw/zinc/41/33/75/564413375.db2.gz RCFHQPACSHICLL-UHFFFAOYSA-N -1 1 395.234 2.749 20 30 GFEDMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000481963838 564529749 /nfs/dbraw/zinc/52/97/49/564529749.db2.gz NJBFQJHAEOYTTQ-UHFFFAOYSA-N -1 1 380.809 2.564 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@H](C(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000548560081 564560290 /nfs/dbraw/zinc/56/02/90/564560290.db2.gz YSYZTMZGYQIFBU-ZDUSSCGKSA-N -1 1 386.763 2.594 20 30 GFEDMM COc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)ccc1[N-]S(C)(=O)=O ZINC000548627474 564568185 /nfs/dbraw/zinc/56/81/85/564568185.db2.gz VBPSCJOWFXKWBM-UHFFFAOYSA-N -1 1 379.825 2.844 20 30 GFEDMM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000485099920 564606621 /nfs/dbraw/zinc/60/66/21/564606621.db2.gz MGOSQHGHSUSSGS-UHFFFAOYSA-N -1 1 376.459 2.765 20 30 GFEDMM Cc1nc2nc(S(=O)(=O)Cc3ccccc3C#N)[n-]c2cc1Br ZINC000550009714 564612311 /nfs/dbraw/zinc/61/23/11/564612311.db2.gz RUMOKTXILLYHPV-UHFFFAOYSA-N -1 1 391.250 2.874 20 30 GFEDMM Cc1[n-]c2nc(S(=O)(=O)Cc3ccccc3C#N)nc-2cc1Br ZINC000550009714 564612319 /nfs/dbraw/zinc/61/23/19/564612319.db2.gz RUMOKTXILLYHPV-UHFFFAOYSA-N -1 1 391.250 2.874 20 30 GFEDMM COC(=O)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Br)cc1 ZINC000614364888 565109464 /nfs/dbraw/zinc/10/94/64/565109464.db2.gz AXCYJOVFNPFUST-OAHLLOKOSA-N -1 1 389.205 2.670 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2nc(-c3ccccc3)no2)o1 ZINC000735656599 598313729 /nfs/dbraw/zinc/31/37/29/598313729.db2.gz KDNWFNBNZFTAAC-UHFFFAOYSA-N -1 1 379.384 2.648 20 30 GFEDMM C=CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)Cc1ccccc1F ZINC000819740122 607363508 /nfs/dbraw/zinc/36/35/08/607363508.db2.gz QCHCGYTURSXPOU-UHFFFAOYSA-N -1 1 384.415 2.842 20 30 GFEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCCC#Cc1ccccc1 ZINC000822009866 599625575 /nfs/dbraw/zinc/62/55/75/599625575.db2.gz FPSYOHDPRUDLPD-UHFFFAOYSA-N -1 1 391.431 2.502 20 30 GFEDMM COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)C[C@@H](C)C(=O)[O-])cc1 ZINC000737917219 600373239 /nfs/dbraw/zinc/37/32/39/600373239.db2.gz FPTYKOIFASCNKJ-CYBMUJFWSA-N -1 1 398.463 2.565 20 30 GFEDMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000832862168 601089125 /nfs/dbraw/zinc/08/91/25/601089125.db2.gz WNAUBRGXRRLHOO-OAHLLOKOSA-N -1 1 394.475 2.587 20 30 GFEDMM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000833065328 601541966 /nfs/dbraw/zinc/54/19/66/601541966.db2.gz YGLQGNSPDRXDDQ-DYESRHJHSA-N -1 1 398.422 2.908 20 30 GFEDMM C=CCn1c(Cc2ccccc2)nnc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000823937159 607536725 /nfs/dbraw/zinc/53/67/25/607536725.db2.gz KQZREXQJRNFGRJ-UHFFFAOYSA-N -1 1 390.476 2.922 20 30 GFEDMM C=CCn1c(Cc2ccccc2)nnc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000823937159 607536727 /nfs/dbraw/zinc/53/67/27/607536727.db2.gz KQZREXQJRNFGRJ-UHFFFAOYSA-N -1 1 390.476 2.922 20 30 GFEDMM N#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833068301 602119807 /nfs/dbraw/zinc/11/98/07/602119807.db2.gz VOHAHIANYJAJIV-FPYGCLRLSA-N -1 1 376.365 2.627 20 30 GFEDMM N#CC(C(=O)CC[C@H]1CCN(C(=O)[O-])C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000833961811 605488258 /nfs/dbraw/zinc/48/82/58/605488258.db2.gz VFHNLPJZSCCCLM-JQWIXIFHSA-N -1 1 381.791 2.907 20 30 GFEDMM N#Cc1ccccc1N1CCC(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000822842567 606481179 /nfs/dbraw/zinc/48/11/79/606481179.db2.gz OJKIHCFCGRMNDM-UHFFFAOYSA-N -1 1 380.843 2.868 20 30 GFEDMM N#Cc1ccccc1N1CCC(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000822842567 606481181 /nfs/dbraw/zinc/48/11/81/606481181.db2.gz OJKIHCFCGRMNDM-UHFFFAOYSA-N -1 1 380.843 2.868 20 30 GFEDMM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Br)cc1 ZINC000822802199 606523397 /nfs/dbraw/zinc/52/33/97/606523397.db2.gz WTQGYZFJMJSCAG-JTQLQIEISA-N -1 1 389.238 2.685 20 30 GFEDMM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Br)cc1 ZINC000822802199 606523398 /nfs/dbraw/zinc/52/33/98/606523398.db2.gz WTQGYZFJMJSCAG-JTQLQIEISA-N -1 1 389.238 2.685 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(F)cc2Br)o1 ZINC000819782632 606835583 /nfs/dbraw/zinc/83/55/83/606835583.db2.gz PSQIGBSSAHFUAM-UHFFFAOYSA-N -1 1 380.181 2.901 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc3c(c2)CCC(=O)N3C)o1 ZINC000823962011 607843219 /nfs/dbraw/zinc/84/32/19/607843219.db2.gz CXNURGQDBFGUBI-UHFFFAOYSA-N -1 1 394.439 2.723 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c3cccc(Br)c23)o1 ZINC000826322976 607843842 /nfs/dbraw/zinc/84/38/42/607843842.db2.gz KBDQPKQPLJWYGE-UHFFFAOYSA-N -1 1 387.201 2.853 20 30 GFEDMM Cc1nn(-c2ccccc2)cc1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000826332874 607887109 /nfs/dbraw/zinc/88/71/09/607887109.db2.gz LBKNCPUNVOKZIH-UHFFFAOYSA-N -1 1 391.439 2.993 20 30 GFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1NC(C)=O ZINC000055582293 654778263 /nfs/dbraw/zinc/77/82/63/654778263.db2.gz SRCCLTKPQGOASP-UHFFFAOYSA-N -1 1 379.825 2.979 20 30 GFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1NC(C)=O ZINC000059773284 654825888 /nfs/dbraw/zinc/82/58/88/654825888.db2.gz SJMJCHALUQHADZ-UHFFFAOYSA-N -1 1 379.825 2.979 20 30 GFEDMM Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000116711370 655251784 /nfs/dbraw/zinc/25/17/84/655251784.db2.gz OHDXUZPHSFGYDJ-UHFFFAOYSA-N -1 1 398.893 2.866 20 30 GFEDMM COc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000746491927 655762532 /nfs/dbraw/zinc/76/25/32/655762532.db2.gz MEEURVZDCXPMQC-UHFFFAOYSA-N -1 1 383.813 2.710 20 30 GFEDMM Cn1nc(Br)c2c1ncnc2N=NCc1cc(F)c([O-])c(F)c1 ZINC000749855635 655808274 /nfs/dbraw/zinc/80/82/74/655808274.db2.gz QZTZGFHOZBQQDU-UHFFFAOYSA-N -1 1 383.156 2.556 20 30 GFEDMM N#Cc1ccc(O)c(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000751214758 655823110 /nfs/dbraw/zinc/82/31/10/655823110.db2.gz CLABBDNBNJIWQC-UHFFFAOYSA-N -1 1 397.206 2.525 20 30 GFEDMM C=CCNC(=S)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000761832739 656022390 /nfs/dbraw/zinc/02/23/90/656022390.db2.gz ZKYUUVTUGWENMY-UHFFFAOYSA-N -1 1 379.482 2.777 20 30 GFEDMM C=CCC1([N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)CCOCC1 ZINC000849451094 661727507 /nfs/dbraw/zinc/72/75/07/661727507.db2.gz CBMSXZPSGHMIEE-UHFFFAOYSA-N -1 1 391.848 2.669 20 30 GFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)[N-]OCCN2CCCC2=O)s1 ZINC000856045108 662017895 /nfs/dbraw/zinc/01/78/95/662017895.db2.gz JXGRPEYBCAVWGX-UHFFFAOYSA-N -1 1 389.930 2.509 20 30 GFEDMM C=CC[C@@H](C)NS(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000906957140 663986197 /nfs/dbraw/zinc/98/61/97/663986197.db2.gz KWUWFITUGDQPSY-GFCCVEGCSA-N -1 1 378.416 2.541 20 30 GFEDMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1cc(C)cc(C)c1 ZINC000914383746 664404997 /nfs/dbraw/zinc/40/49/97/664404997.db2.gz BSGPPOHRGLTXLX-MRXNPFEDSA-N -1 1 378.475 2.570 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)c1F ZINC000916488754 664462431 /nfs/dbraw/zinc/46/24/31/664462431.db2.gz VFQMBGHBASJTKV-DTWKUNHWSA-N -1 1 377.235 2.567 20 30 GFEDMM Cc1ccc(Br)cc1NC(=O)CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000187807382 552424799 /nfs/dbraw/zinc/42/47/99/552424799.db2.gz VZAYCRGFYPDMEG-UHFFFAOYSA-N -1 1 388.221 2.703 20 30 GFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000190833770 552510584 /nfs/dbraw/zinc/51/05/84/552510584.db2.gz PKKLLZNWOMCBPM-UHFFFAOYSA-N -1 1 384.866 2.724 20 30 GFEDMM CC(C)(C)c1nc(S(=O)(=O)Cc2cc(C#N)ccc2Br)n[n-]1 ZINC000195168533 553039860 /nfs/dbraw/zinc/03/98/60/553039860.db2.gz PLTYMDPWRJHAHV-UHFFFAOYSA-N -1 1 383.271 2.710 20 30 GFEDMM COC1CCC([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC000416544459 563846335 /nfs/dbraw/zinc/84/63/35/563846335.db2.gz OZRIWIIVTREICO-UHFFFAOYSA-N -1 1 391.262 2.696 20 30 GFEDMM O=C(NCC#Cc1ccccc1)c1cc(I)ccc1[O-] ZINC000436656565 563676439 /nfs/dbraw/zinc/67/64/39/563676439.db2.gz QQBOZGRFCFVPRT-UHFFFAOYSA-N -1 1 377.181 2.778 20 30 GFEDMM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(Br)cc3[O-])C2)nc1 ZINC000436874054 563684431 /nfs/dbraw/zinc/68/44/31/563684431.db2.gz YUECMFIOWQZTBV-CYBMUJFWSA-N -1 1 388.221 2.715 20 30 GFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000442241941 563770270 /nfs/dbraw/zinc/77/02/70/563770270.db2.gz MNOQRSVVSQOWJX-UHFFFAOYSA-N -1 1 394.250 2.529 20 30 GFEDMM Cc1csc(C2([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CCC2)n1 ZINC000443338833 563802106 /nfs/dbraw/zinc/80/21/06/563802106.db2.gz WPNOLNMHCVINOV-UHFFFAOYSA-N -1 1 378.435 2.589 20 30 GFEDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@@H](C)O1 ZINC000416590398 563850822 /nfs/dbraw/zinc/85/08/22/563850822.db2.gz BQIYMBOZHJECTA-KKZNHRDASA-N -1 1 391.262 2.552 20 30 GFEDMM CC(C)(C#N)CCS(=O)(=O)c1n[n-]c(-c2ccccc2Br)n1 ZINC000563859668 564209957 /nfs/dbraw/zinc/20/99/57/564209957.db2.gz UJRCPGQTIYDNMA-UHFFFAOYSA-N -1 1 383.271 2.948 20 30 GFEDMM CCCc1ncc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)o1 ZINC000451961073 564373053 /nfs/dbraw/zinc/37/30/53/564373053.db2.gz RHPFCOGXDIGNHR-UHFFFAOYSA-N -1 1 384.255 2.740 20 30 GFEDMM Cc1csc(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)n1 ZINC000567545066 564376472 /nfs/dbraw/zinc/37/64/72/564376472.db2.gz JPEMGGGYHVATOA-UHFFFAOYSA-N -1 1 390.259 2.703 20 30 GFEDMM Cn1ncc2c1[n-]cc(C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)c2=O ZINC000512028879 564389699 /nfs/dbraw/zinc/38/96/99/564389699.db2.gz RPBOEZNJDSVGBX-GFCCVEGCSA-N -1 1 376.203 2.975 20 30 GFEDMM O=S(=O)(CCOCC(F)(F)F)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000572212682 564585563 /nfs/dbraw/zinc/58/55/63/564585563.db2.gz SLFSBFUJONDZFJ-UHFFFAOYSA-N -1 1 385.257 2.887 20 30 GFEDMM CO[C@@H](CC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000557844728 564881989 /nfs/dbraw/zinc/88/19/89/564881989.db2.gz RPKIGQLSPWEVBA-VIFPVBQESA-N -1 1 399.284 2.970 20 30 GFEDMM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)CC2(C#N)CCCCC2)[C@@H]1O ZINC000584458615 565081668 /nfs/dbraw/zinc/08/16/68/565081668.db2.gz UCUAPLYXWALHHN-HIFRSBDPSA-N -1 1 384.523 2.715 20 30 GFEDMM N#CC1(CC(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)CCOCC1 ZINC000597840345 565577531 /nfs/dbraw/zinc/57/75/31/565577531.db2.gz DVPOMLHZOADXQY-UHFFFAOYSA-N -1 1 395.282 2.972 20 30 GFEDMM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2NC1=O ZINC000603972886 565920490 /nfs/dbraw/zinc/92/04/90/565920490.db2.gz YWBZWVQXEHZCPF-VIFPVBQESA-N -1 1 377.809 2.732 20 30 GFEDMM C=CCCCCCN(C)C(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000735407943 598836538 /nfs/dbraw/zinc/83/65/38/598836538.db2.gz BQMWGRQKRGUYPG-UHFFFAOYSA-N -1 1 396.499 2.664 20 30 GFEDMM C=CCCCCCN(C)C(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000735407943 598836541 /nfs/dbraw/zinc/83/65/41/598836541.db2.gz BQMWGRQKRGUYPG-UHFFFAOYSA-N -1 1 396.499 2.664 20 30 GFEDMM N#Cc1ccc(CN2CCCN(C(=O)NCc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000819096018 597230432 /nfs/dbraw/zinc/23/04/32/597230432.db2.gz RQERGUGANYIRDB-UHFFFAOYSA-N -1 1 392.459 2.674 20 30 GFEDMM C=CCn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1-c1ccncc1 ZINC000735448951 598235829 /nfs/dbraw/zinc/23/58/29/598235829.db2.gz NHPGJHMWIYSDIG-UHFFFAOYSA-N -1 1 380.412 2.997 20 30 GFEDMM C=CCn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1-c1ccncc1 ZINC000735448951 598235830 /nfs/dbraw/zinc/23/58/30/598235830.db2.gz NHPGJHMWIYSDIG-UHFFFAOYSA-N -1 1 380.412 2.997 20 30 GFEDMM N#Cc1[n-]c(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)nc1-c1nn[nH]n1 ZINC000822815289 599314878 /nfs/dbraw/zinc/31/48/78/599314878.db2.gz OJTXSEAUXQXILS-VHSXEESVSA-N -1 1 389.206 2.510 20 30 GFEDMM COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738132394 600306278 /nfs/dbraw/zinc/30/62/78/600306278.db2.gz DMHVBYADKOZYJG-HOTGVXAUSA-N -1 1 385.464 2.517 20 30 GFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000739105858 600566550 /nfs/dbraw/zinc/56/65/50/600566550.db2.gz OGANAQUJAMNZRT-QFIPXVFZSA-N -1 1 397.438 2.926 20 30 GFEDMM CCN1CCN(c2ccc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)CC1 ZINC000737117517 600805070 /nfs/dbraw/zinc/80/50/70/600805070.db2.gz WAUSLVYGFFVRII-FQEVSTJZSA-N -1 1 393.443 2.683 20 30 GFEDMM Cn1cc(S(=O)(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cc1C(=O)[O-] ZINC000833055492 600812352 /nfs/dbraw/zinc/81/23/52/600812352.db2.gz HSGBECDXWJCCQC-UHFFFAOYSA-N -1 1 398.400 2.583 20 30 GFEDMM CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1 ZINC000828383308 604076314 /nfs/dbraw/zinc/07/63/14/604076314.db2.gz YCLCFYJABOXAAS-HXUWFJFHSA-N -1 1 392.459 2.647 20 30 GFEDMM Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1C ZINC000830505583 604227270 /nfs/dbraw/zinc/22/72/70/604227270.db2.gz KXOCZHVGNJHFRF-MSOLQXFVSA-N -1 1 386.496 2.918 20 30 GFEDMM Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1C ZINC000830505584 604227504 /nfs/dbraw/zinc/22/75/04/604227504.db2.gz KXOCZHVGNJHFRF-QZTJIDSGSA-N -1 1 386.496 2.918 20 30 GFEDMM COc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c(C(=O)[O-])cc1OC ZINC000502442726 605594871 /nfs/dbraw/zinc/59/48/71/605594871.db2.gz QSJDVTRBXYCOSD-UHFFFAOYSA-N -1 1 396.808 2.728 20 30 GFEDMM N#Cc1ccc(CN2CCCN(C(=O)Cc3cccc(NC(=O)[O-])c3)CC2)cc1 ZINC000833972308 605759432 /nfs/dbraw/zinc/75/94/32/605759432.db2.gz ZRKRKBYLRYTMTJ-UHFFFAOYSA-N -1 1 392.459 2.925 20 30 GFEDMM CCOC(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821334039 606390544 /nfs/dbraw/zinc/39/05/44/606390544.db2.gz FZBHAEOPKSYOMQ-SOFGYWHQSA-N -1 1 384.417 2.766 20 30 GFEDMM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823160421 606530407 /nfs/dbraw/zinc/53/04/07/606530407.db2.gz BEPDQDLSKGVYEQ-UHFFFAOYSA-N -1 1 377.351 2.729 20 30 GFEDMM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823160421 606530408 /nfs/dbraw/zinc/53/04/08/606530408.db2.gz BEPDQDLSKGVYEQ-UHFFFAOYSA-N -1 1 377.351 2.729 20 30 GFEDMM COc1ccc2c(c1)C(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)CCCO2 ZINC000821849624 606837660 /nfs/dbraw/zinc/83/76/60/606837660.db2.gz NNJGBKVQJZDIPL-UHFFFAOYSA-N -1 1 383.412 2.976 20 30 GFEDMM CC(=O)N(c1nc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cs1)C1CC1 ZINC000823967552 608092262 /nfs/dbraw/zinc/09/22/62/608092262.db2.gz NWXOQWUNUMCRQZ-DJWKRKHSSA-N -1 1 386.462 2.796 20 30 GFEDMM CC(=O)N(c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cs1)C1CC1 ZINC000823967552 608092263 /nfs/dbraw/zinc/09/22/63/608092263.db2.gz NWXOQWUNUMCRQZ-DJWKRKHSSA-N -1 1 386.462 2.796 20 30 GFEDMM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@](C)(C#N)C2)c1-c1nn[n-]n1 ZINC000826231756 608140889 /nfs/dbraw/zinc/14/08/89/608140889.db2.gz YJYGNWOTNGQSEN-GOSISDBHSA-N -1 1 383.481 2.627 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ncccc2C(F)(F)F)o1 ZINC000824280128 608228358 /nfs/dbraw/zinc/22/83/58/608228358.db2.gz DICGIFMVLMHOHK-UHFFFAOYSA-N -1 1 380.334 2.913 20 30 GFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1)c1ccc(C(=O)[O-])c(F)c1 ZINC000823963037 609159593 /nfs/dbraw/zinc/15/95/93/609159593.db2.gz UFPZJASQWFEJLU-UHFFFAOYSA-N -1 1 387.375 2.826 20 30 GFEDMM N#Cc1ccc(COC(=O)c2sccc2-c2nn[n-]n2)c(Br)c1 ZINC000826385040 609345228 /nfs/dbraw/zinc/34/52/28/609345228.db2.gz UUMUCAXWAHLUCW-UHFFFAOYSA-N -1 1 390.222 2.919 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000153970037 655072349 /nfs/dbraw/zinc/07/23/49/655072349.db2.gz ARMCBXUSSMCACV-UHFFFAOYSA-N -1 1 397.210 2.612 20 30 GFEDMM CN1c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2CCC1=O ZINC000105390333 655091847 /nfs/dbraw/zinc/09/18/47/655091847.db2.gz QEQYVJMWVIRYMC-UHFFFAOYSA-N -1 1 375.837 2.921 20 30 GFEDMM CN(CC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000116584877 655249594 /nfs/dbraw/zinc/24/95/94/655249594.db2.gz SWAFECGARUQNLS-UHFFFAOYSA-N -1 1 381.816 2.875 20 30 GFEDMM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(Cl)c1 ZINC000578270155 655475362 /nfs/dbraw/zinc/47/53/62/655475362.db2.gz DLNNBFFQHRWEHD-UHFFFAOYSA-N -1 1 386.216 2.847 20 30 GFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)cc1 ZINC000741655683 655707332 /nfs/dbraw/zinc/70/73/32/655707332.db2.gz CDKCSYMHNYGVAB-UHFFFAOYSA-N -1 1 379.821 2.939 20 30 GFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2Cc3ccc(Cl)cc3C2)cc1 ZINC000743436157 655729077 /nfs/dbraw/zinc/72/90/77/655729077.db2.gz GOGFLOMLAXVRGH-UHFFFAOYSA-N -1 1 379.825 2.822 20 30 GFEDMM CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2ccc([O-])c(Cl)c2)cc1 ZINC000767791011 656220049 /nfs/dbraw/zinc/22/00/49/656220049.db2.gz KZDIVZOHQWKWFX-UHFFFAOYSA-N -1 1 382.825 2.535 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCOc2ccc(Cl)cc21 ZINC000783848718 657265217 /nfs/dbraw/zinc/26/52/17/657265217.db2.gz JGYONOCWHAMVAP-UHFFFAOYSA-N -1 1 381.797 2.713 20 30 GFEDMM C=CCCSCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000849425933 661722773 /nfs/dbraw/zinc/72/27/73/661722773.db2.gz KOTMCQLYXOVVES-UHFFFAOYSA-N -1 1 381.878 2.853 20 30 GFEDMM C=CCCSCCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000852487935 661865713 /nfs/dbraw/zinc/86/57/13/661865713.db2.gz OWIYBQKOGKXYQK-AVGNSLFASA-N -1 1 381.464 2.783 20 30 GFEDMM N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)Cn1ccc(Br)cc1=O ZINC000870455014 662690729 /nfs/dbraw/zinc/69/07/29/662690729.db2.gz STQCDCUMAVZTRX-OAHLLOKOSA-N -1 1 399.244 2.621 20 30 GFEDMM CSc1ccc(C[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)cc1C#N ZINC000885610125 663093286 /nfs/dbraw/zinc/09/32/86/663093286.db2.gz NJDZRACSWOUHTL-QFIPXVFZSA-N -1 1 375.541 2.511 20 30 GFEDMM N#Cc1ccc(F)c([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)c1 ZINC000891448341 663339829 /nfs/dbraw/zinc/33/98/29/663339829.db2.gz KQGXFTQVTWSNPS-UHFFFAOYSA-N -1 1 379.438 2.796 20 30 GFEDMM N#CC[C@@H](NC(=O)c1ccc(I)c([O-])c1)C(F)(F)F ZINC000928806080 664740227 /nfs/dbraw/zinc/74/02/27/664740227.db2.gz HMFNHWHYXJVECE-SECBINFHSA-N -1 1 384.095 2.571 20 30 GFEDMM CC(C)S(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000112266886 551205569 /nfs/dbraw/zinc/20/55/69/551205569.db2.gz DJNGIQQDLRLWKD-UHFFFAOYSA-N -1 1 378.475 2.682 20 30 GFEDMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000154022790 551465705 /nfs/dbraw/zinc/46/57/05/551465705.db2.gz BUXBVJNXIDMYEN-UHFFFAOYSA-N -1 1 395.282 2.578 20 30 GFEDMM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000295839353 563264741 /nfs/dbraw/zinc/26/47/41/563264741.db2.gz WHVUIPIMDCMXQK-WPRPVWTQSA-N -1 1 378.679 2.858 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(Br)cccc32)o1 ZINC000376398294 563441016 /nfs/dbraw/zinc/44/10/16/563441016.db2.gz WJCLITFMCIRPAK-GFCCVEGCSA-N -1 1 383.223 2.716 20 30 GFEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000329888878 563490943 /nfs/dbraw/zinc/49/09/43/563490943.db2.gz ZMZJSSJXWZHLKT-QWHCGFSZSA-N -1 1 387.527 2.608 20 30 GFEDMM N#CCN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCC1 ZINC000566268359 564319979 /nfs/dbraw/zinc/31/99/79/564319979.db2.gz UTPVDYBBIZTKIO-UHFFFAOYSA-N -1 1 390.292 2.566 20 30 GFEDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)CC#N)cc1 ZINC000476187393 564329223 /nfs/dbraw/zinc/32/92/23/564329223.db2.gz BUAQSPYPXXASEB-UHFFFAOYSA-N -1 1 384.866 2.747 20 30 GFEDMM C=CC1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000570012488 564487788 /nfs/dbraw/zinc/48/77/88/564487788.db2.gz LQKJDMUPNVAAOL-UHFFFAOYSA-N -1 1 377.293 2.696 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccc(Cl)c(Cl)c2)o1 ZINC000553541298 564725300 /nfs/dbraw/zinc/72/53/00/564725300.db2.gz GYNMQQHAJWLTCH-CYBMUJFWSA-N -1 1 375.233 2.860 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](CO)Cc2ccccc2Br)c1 ZINC000617625930 565249280 /nfs/dbraw/zinc/24/92/80/565249280.db2.gz ASXYRTXRHZCPOZ-ZDUSSCGKSA-N -1 1 389.249 2.607 20 30 GFEDMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1Cl ZINC000619462149 565342786 /nfs/dbraw/zinc/34/27/86/565342786.db2.gz IDAOEDIGORPEDK-UHFFFAOYSA-N -1 1 377.853 2.909 20 30 GFEDMM C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000593654250 565354052 /nfs/dbraw/zinc/35/40/52/565354052.db2.gz LXMWPZVWGVDEHX-VIFPVBQESA-N -1 1 391.262 2.553 20 30 GFEDMM O=S(=O)([N-][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1F ZINC000644275680 565469288 /nfs/dbraw/zinc/46/92/88/565469288.db2.gz RDHWODHUIMRFNR-KWQFWETISA-N -1 1 395.296 2.969 20 30 GFEDMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000737301143 598930263 /nfs/dbraw/zinc/93/02/63/598930263.db2.gz IZLCJMZFIZMNHI-UHFFFAOYSA-N -1 1 398.448 2.659 20 30 GFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000735401988 598930635 /nfs/dbraw/zinc/93/06/35/598930635.db2.gz CSOIPKKJSSHBLA-UHFFFAOYSA-N -1 1 385.449 2.931 20 30 GFEDMM N#Cc1ccc(CN2CCCN(C(=O)Nc3ccccc3CC(=O)[O-])CC2)cc1 ZINC000819095585 597336714 /nfs/dbraw/zinc/33/67/14/597336714.db2.gz BDMPMRHDOBDIDD-UHFFFAOYSA-N -1 1 392.459 2.925 20 30 GFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1C(F)(F)F ZINC000822832696 599307590 /nfs/dbraw/zinc/30/75/90/599307590.db2.gz DUVDVZNUMASXAD-UHFFFAOYSA-N -1 1 394.338 2.558 20 30 GFEDMM Cc1cc(N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)nc(C(C)C)n1 ZINC000738407152 600563044 /nfs/dbraw/zinc/56/30/44/600563044.db2.gz QYCNLQIPYYBARW-IBGZPJMESA-N -1 1 379.464 2.728 20 30 GFEDMM Cc1cc(N2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)nc(C(C)C)n1 ZINC000738407158 600563149 /nfs/dbraw/zinc/56/31/49/600563149.db2.gz QYCNLQIPYYBARW-LJQANCHMSA-N -1 1 379.464 2.728 20 30 GFEDMM COc1ccc(OC)c(CN2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832436322 601309538 /nfs/dbraw/zinc/30/95/38/601309538.db2.gz SZUQVHRXLMJEKX-OAQYLSRUSA-N -1 1 395.459 2.519 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000833067379 601575263 /nfs/dbraw/zinc/57/52/63/601575263.db2.gz BOFJJHPVJSJSGT-UHFFFAOYSA-N -1 1 387.236 2.881 20 30 GFEDMM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823724238 603627786 /nfs/dbraw/zinc/62/77/86/603627786.db2.gz PAAXNWBBDOIZKW-NSHDSACASA-N -1 1 378.498 2.661 20 30 GFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000830004814 604183266 /nfs/dbraw/zinc/18/32/66/604183266.db2.gz SUYIOFXGLWKIEB-ZWKOTPCHSA-N -1 1 386.496 2.918 20 30 GFEDMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC#Cc1ccc(Cl)cc1 ZINC000826294504 607715765 /nfs/dbraw/zinc/71/57/65/607715765.db2.gz TUWGLIDADDLONS-UHFFFAOYSA-N -1 1 376.807 2.590 20 30 GFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000822922812 606389313 /nfs/dbraw/zinc/38/93/13/606389313.db2.gz KBCJMWWOTOLDTB-DJWKRKHSSA-N -1 1 385.424 2.800 20 30 GFEDMM N#Cc1ccc(Oc2ccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000822833503 606653548 /nfs/dbraw/zinc/65/35/48/606653548.db2.gz QRHJXMUZNHRNBE-UHFFFAOYSA-N -1 1 399.370 2.678 20 30 GFEDMM N#Cc1ccc(Oc2ccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000822833503 606653549 /nfs/dbraw/zinc/65/35/49/606653549.db2.gz QRHJXMUZNHRNBE-UHFFFAOYSA-N -1 1 399.370 2.678 20 30 GFEDMM C=CCc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc(OC)c1OC ZINC000819758884 606703804 /nfs/dbraw/zinc/70/38/04/606703804.db2.gz IYEOUEHOEJUKGN-UHFFFAOYSA-N -1 1 397.395 2.528 20 30 GFEDMM C=CCc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc(OC)c1OC ZINC000819758884 606703805 /nfs/dbraw/zinc/70/38/05/606703805.db2.gz IYEOUEHOEJUKGN-UHFFFAOYSA-N -1 1 397.395 2.528 20 30 GFEDMM C#CCOCCOC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819701476 606823224 /nfs/dbraw/zinc/82/32/24/606823224.db2.gz IWVBNEQILBYIJT-UHFFFAOYSA-N -1 1 382.351 2.605 20 30 GFEDMM C#CCOCCOC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000819701476 606823226 /nfs/dbraw/zinc/82/32/26/606823226.db2.gz IWVBNEQILBYIJT-UHFFFAOYSA-N -1 1 382.351 2.605 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(Br)ccc2F)o1 ZINC000819782572 606835526 /nfs/dbraw/zinc/83/55/26/606835526.db2.gz OAQBJDBPYYBTKZ-UHFFFAOYSA-N -1 1 380.181 2.901 20 30 GFEDMM C=CCn1c(=O)c2ccc(Cl)cc2nc1Sc1cccc(-c2nnn[n-]2)n1 ZINC000823936956 607894581 /nfs/dbraw/zinc/89/45/81/607894581.db2.gz BATVXADAYVGCIN-UHFFFAOYSA-N -1 1 397.851 2.962 20 30 GFEDMM C=CCn1c(=O)c2ccc(Cl)cc2nc1Sc1cccc(-c2nn[n-]n2)n1 ZINC000823936956 607894582 /nfs/dbraw/zinc/89/45/82/607894582.db2.gz BATVXADAYVGCIN-UHFFFAOYSA-N -1 1 397.851 2.962 20 30 GFEDMM C=CC[C@H](CO)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000823888771 608533167 /nfs/dbraw/zinc/53/31/67/608533167.db2.gz WEFQJKYDRXRSOV-AWEZNQCLSA-N -1 1 398.492 2.579 20 30 GFEDMM N#Cc1cc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)ccc1F ZINC000826383594 609279472 /nfs/dbraw/zinc/27/94/72/609279472.db2.gz IBFHQGSLCXGHPD-UHFFFAOYSA-N -1 1 378.346 2.814 20 30 GFEDMM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000819892892 660272709 /nfs/dbraw/zinc/27/27/09/660272709.db2.gz LTPJBXFNKSHXSC-UFBFGSQYSA-N -1 1 381.237 2.771 20 30 GFEDMM Cc1nc2sccc2c(=O)n1N=Cc1cc(O)c([O-])c(Br)c1 ZINC000757568271 655913165 /nfs/dbraw/zinc/91/31/65/655913165.db2.gz KHYLQCKEQPUUSE-UHFFFAOYSA-N -1 1 380.223 2.822 20 30 GFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000805020141 659718355 /nfs/dbraw/zinc/71/83/55/659718355.db2.gz PJFDLZCUGZKFTJ-RMLUDKJBSA-N -1 1 375.233 2.858 20 30 GFEDMM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000872459714 662769294 /nfs/dbraw/zinc/76/92/94/662769294.db2.gz VPDDRONWFBVPSW-XMMPIXPASA-N -1 1 396.456 2.788 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2I)c(=O)o1 ZINC000916137396 664451669 /nfs/dbraw/zinc/45/16/69/664451669.db2.gz RJAYFEZPBYNGTR-AFNCTOJWSA-N -1 1 382.153 2.519 20 30 GFEDMM N#CCN1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000151826032 551422126 /nfs/dbraw/zinc/42/21/26/551422126.db2.gz MLEIFLSRMUZRFF-UHFFFAOYSA-N -1 1 395.834 2.873 20 30 GFEDMM CSc1nnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000282269246 563404440 /nfs/dbraw/zinc/40/44/40/563404440.db2.gz KAAVFUORFBQTCQ-UHFFFAOYSA-N -1 1 394.425 2.629 20 30 GFEDMM Cc1cc(CN2CCSCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000288613569 563650045 /nfs/dbraw/zinc/65/00/45/563650045.db2.gz PNEXWAGESNVBGZ-UHFFFAOYSA-N -1 1 377.491 2.809 20 30 GFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(-c2ccc(F)cc2)no1 ZINC000367186700 563835149 /nfs/dbraw/zinc/83/51/49/563835149.db2.gz MUGNQBSGSCBIJP-SECBINFHSA-N -1 1 378.410 2.848 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccs2)cc1Br ZINC000564263481 564226656 /nfs/dbraw/zinc/22/66/56/564226656.db2.gz DNWKEHMMVKVEHI-UHFFFAOYSA-N -1 1 375.244 3.000 20 30 GFEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000451904190 564364844 /nfs/dbraw/zinc/36/48/44/564364844.db2.gz QRDCANIMFWLMSE-OLZOCXBDSA-N -1 1 394.276 2.792 20 30 GFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1NS(C)(=O)=O ZINC000520395366 564603476 /nfs/dbraw/zinc/60/34/76/564603476.db2.gz RKJKGXNYLDKHCP-UHFFFAOYSA-N -1 1 399.881 2.692 20 30 GFEDMM CC[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)[C@H](O)C(F)(F)F ZINC000489664210 564747482 /nfs/dbraw/zinc/74/74/82/564747482.db2.gz JDFSCLOTQYOFCE-WKEGUHRASA-N -1 1 399.284 2.704 20 30 GFEDMM Cc1c(Br)cc(NS(=O)(=O)c2ccc(C#N)nc2)cc1C(=O)[O-] ZINC000560014105 564944960 /nfs/dbraw/zinc/94/49/60/564944960.db2.gz ZVFDDPOCDATQRY-UHFFFAOYSA-N -1 1 396.222 2.523 20 30 GFEDMM Cc1[n-][nH]c(=NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1Br ZINC000597731456 565573031 /nfs/dbraw/zinc/57/30/31/565573031.db2.gz KYYGTLJEGAIAEC-AWEZNQCLSA-N -1 1 377.242 2.816 20 30 GFEDMM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000656958866 566194482 /nfs/dbraw/zinc/19/44/82/566194482.db2.gz IVUVZLUDNVUOFU-ZETCQYMHSA-N -1 1 389.098 2.971 20 30 GFEDMM C#CCSCCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735388359 598889871 /nfs/dbraw/zinc/88/98/71/598889871.db2.gz ZVXRNNJOBAGTSK-UHFFFAOYSA-N -1 1 398.517 2.761 20 30 GFEDMM N#Cc1cccc(OC2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)c1 ZINC000737730365 598967487 /nfs/dbraw/zinc/96/74/87/598967487.db2.gz JIRHFMBTSNWBOL-UHFFFAOYSA-N -1 1 398.430 2.729 20 30 GFEDMM N#Cc1cccc(OC2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)c1 ZINC000737730365 598967489 /nfs/dbraw/zinc/96/74/89/598967489.db2.gz JIRHFMBTSNWBOL-UHFFFAOYSA-N -1 1 398.430 2.729 20 30 GFEDMM N#C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C1CC1 ZINC000737676118 598536674 /nfs/dbraw/zinc/53/66/74/598536674.db2.gz UXLCHPRVYSQTBV-OAHLLOKOSA-N -1 1 378.367 2.830 20 30 GFEDMM N#C[C@@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C1CC1 ZINC000737676118 598536677 /nfs/dbraw/zinc/53/66/77/598536677.db2.gz UXLCHPRVYSQTBV-OAHLLOKOSA-N -1 1 378.367 2.830 20 30 GFEDMM C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735425806 598690574 /nfs/dbraw/zinc/69/05/74/598690574.db2.gz HPBNRHVSEBDGQN-UHFFFAOYSA-N -1 1 391.403 2.522 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000820234763 607370878 /nfs/dbraw/zinc/37/08/78/607370878.db2.gz PIEOXOMDICJDFT-LBPRGKRZSA-N -1 1 390.448 2.741 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c(F)c1 ZINC000614342458 601981077 /nfs/dbraw/zinc/98/10/77/601981077.db2.gz SBESIPBVFHSMFS-OAHLLOKOSA-N -1 1 380.372 2.721 20 30 GFEDMM CCC(CC)CN(CCC#N)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825106479 607608143 /nfs/dbraw/zinc/60/81/43/607608143.db2.gz DDRYJQLAVKYCFI-UHFFFAOYSA-N -1 1 396.904 2.861 20 30 GFEDMM CCC(CC)CN(CCC#N)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000825106479 607608144 /nfs/dbraw/zinc/60/81/44/607608144.db2.gz DDRYJQLAVKYCFI-UHFFFAOYSA-N -1 1 396.904 2.861 20 30 GFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000830004808 604183429 /nfs/dbraw/zinc/18/34/29/604183429.db2.gz SUYIOFXGLWKIEB-MSOLQXFVSA-N -1 1 386.496 2.918 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c3ccc(C#N)cc23)o1 ZINC000820108758 607148072 /nfs/dbraw/zinc/14/80/72/607148072.db2.gz QZDWRSQGHXBIQG-UHFFFAOYSA-N -1 1 375.396 2.852 20 30 GFEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(C#N)cc1Cl ZINC000822010134 607191854 /nfs/dbraw/zinc/19/18/54/607191854.db2.gz OWWLHPTZPWTZOY-UHFFFAOYSA-N -1 1 397.826 2.681 20 30 GFEDMM Cc1[nH]c2ccc(Cl)cc2c1C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O ZINC000826265347 607782645 /nfs/dbraw/zinc/78/26/45/607782645.db2.gz VSPMFCDCVAUVTM-UHFFFAOYSA-N -1 1 381.827 2.971 20 30 GFEDMM C#CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000823838548 607938585 /nfs/dbraw/zinc/93/85/85/607938585.db2.gz QZNTUQXBGQYVDX-CQSZACIVSA-N -1 1 387.852 2.563 20 30 GFEDMM C#CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000823838548 607938586 /nfs/dbraw/zinc/93/85/86/607938586.db2.gz QZNTUQXBGQYVDX-CQSZACIVSA-N -1 1 387.852 2.563 20 30 GFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000823963173 607964867 /nfs/dbraw/zinc/96/48/67/607964867.db2.gz XIYPUZANKMZDLL-UHFFFAOYSA-N -1 1 386.372 2.602 20 30 GFEDMM CCCOc1ccc2[nH]cc(C=Nn3c(C)cc(C)c(-c4nn[n-]n4)c3=O)c2c1 ZINC000825342941 608534206 /nfs/dbraw/zinc/53/42/06/608534206.db2.gz YTBAMEWABALLPX-UHFFFAOYSA-N -1 1 391.435 2.798 20 30 GFEDMM CC(C)(C#N)CNc1cc(NCC(C)(C)C#N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000824058700 609389095 /nfs/dbraw/zinc/38/90/95/609389095.db2.gz AOHACXDNGHLIEV-UHFFFAOYSA-N -1 1 383.416 2.698 20 30 GFEDMM CC(C)(C#N)CNc1cc(NCC(C)(C)C#N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000824058700 609389098 /nfs/dbraw/zinc/38/90/98/609389098.db2.gz AOHACXDNGHLIEV-UHFFFAOYSA-N -1 1 383.416 2.698 20 30 GFEDMM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cn(CC2CC2)nn1 ZINC000835065977 660840059 /nfs/dbraw/zinc/84/00/59/660840059.db2.gz VAPKCRGSVJRGIC-CYBMUJFWSA-N -1 1 378.219 2.956 20 30 GFEDMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2C1=O ZINC000122840734 654744392 /nfs/dbraw/zinc/74/43/92/654744392.db2.gz MCAFPBGXBHYPSO-UHFFFAOYSA-N -1 1 375.837 2.641 20 30 GFEDMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000055578690 654777954 /nfs/dbraw/zinc/77/79/54/654777954.db2.gz CSOMGPZKEAJDTR-UHFFFAOYSA-N -1 1 380.809 2.564 20 30 GFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)ccc1Br ZINC000057413033 654807236 /nfs/dbraw/zinc/80/72/36/654807236.db2.gz XJCKNIPYUUACTQ-UHFFFAOYSA-N -1 1 395.234 2.908 20 30 GFEDMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000069422978 654981325 /nfs/dbraw/zinc/98/13/25/654981325.db2.gz TVPJLFIPRDHOBV-HTQZYQBOSA-N -1 1 375.237 2.907 20 30 GFEDMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000069422978 654981330 /nfs/dbraw/zinc/98/13/30/654981330.db2.gz TVPJLFIPRDHOBV-HTQZYQBOSA-N -1 1 375.237 2.907 20 30 GFEDMM Cc1cc(=O)[n-]c(NN=C2C(=O)Nc3c2cc(Br)cc3Cl)n1 ZINC000735608489 655649552 /nfs/dbraw/zinc/64/95/52/655649552.db2.gz BSUYHHVRLHWXHC-UHFFFAOYSA-N -1 1 382.605 2.675 20 30 GFEDMM [O-]c1c(O)cc(C=NNC(=S)NCc2ccccc2)cc1Br ZINC000757561059 655913247 /nfs/dbraw/zinc/91/32/47/655913247.db2.gz SGSVLTUJCVMEPY-UHFFFAOYSA-N -1 1 380.267 2.859 20 30 GFEDMM Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=Nn1c(=O)cn[n-]c1=S ZINC000766483399 656173030 /nfs/dbraw/zinc/17/30/30/656173030.db2.gz VENZOYLOJVTLSB-UHFFFAOYSA-N -1 1 381.248 2.610 20 30 GFEDMM Cc1cc(Cl)cc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1O ZINC000774587950 656538911 /nfs/dbraw/zinc/53/89/11/656538911.db2.gz QPVGJMMTZOLKGI-UHFFFAOYSA-N -1 1 383.813 2.716 20 30 GFEDMM CCC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc(F)cc(Br)c1 ZINC000776186385 656718848 /nfs/dbraw/zinc/71/88/48/656718848.db2.gz NEEPXEHVCDWBII-UHFFFAOYSA-N -1 1 379.193 2.560 20 30 GFEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000778827889 656892220 /nfs/dbraw/zinc/89/22/20/656892220.db2.gz DYOAYWOFWPIRMZ-MGPLVRAMSA-N -1 1 383.242 2.754 20 30 GFEDMM N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)nc1 ZINC000788877816 657791104 /nfs/dbraw/zinc/79/11/04/657791104.db2.gz IWVYDFYFIQTKNQ-UHFFFAOYSA-N -1 1 389.239 2.790 20 30 GFEDMM O=S1(=O)[N-]C(=NN=C2CCc3sc(Br)cc32)c2ccccc21 ZINC000814798691 660096176 /nfs/dbraw/zinc/09/61/76/660096176.db2.gz LNAHHERXLRONMR-UHFFFAOYSA-N -1 1 396.291 2.900 20 30 GFEDMM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000849412645 661719092 /nfs/dbraw/zinc/71/90/92/661719092.db2.gz UNXFQMNJSJULCR-RYUDHWBXSA-N -1 1 376.320 2.904 20 30 GFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CCOCC1 ZINC000851827626 661835759 /nfs/dbraw/zinc/83/57/59/661835759.db2.gz OLFKQFSYTPIUBT-LBPRGKRZSA-N -1 1 393.248 2.608 20 30 GFEDMM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000859423887 662161602 /nfs/dbraw/zinc/16/16/02/662161602.db2.gz LNNVNNLUVUTCRP-JTQLQIEISA-N -1 1 398.681 2.948 20 30 GFEDMM CNC(=S)NN=C(C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000916266152 664455252 /nfs/dbraw/zinc/45/52/52/664455252.db2.gz HHNPUGYWCVYZHG-UHFFFAOYSA-N -1 1 376.507 2.614 20 30 GFEDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(C)o1 ZINC000155267276 551495873 /nfs/dbraw/zinc/49/58/73/551495873.db2.gz IGRALJGDNXEXSF-CQSZACIVSA-N -1 1 399.266 2.888 20 30 GFEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000192128834 552552209 /nfs/dbraw/zinc/55/22/09/552552209.db2.gz JSAOLEVNFMXFHO-CYBMUJFWSA-N -1 1 378.475 2.736 20 30 GFEDMM CN(CC(F)(F)F)C(=O)C(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000411384040 563617302 /nfs/dbraw/zinc/61/73/02/563617302.db2.gz PDHZKMJZEJRGKY-VIFPVBQESA-N -1 1 378.219 2.705 20 30 GFEDMM COCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1ccco1 ZINC000416461054 563832133 /nfs/dbraw/zinc/83/21/33/563832133.db2.gz XAXRKALOQVCWBJ-ZDUSSCGKSA-N -1 1 399.266 2.970 20 30 GFEDMM CSc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c1 ZINC000509232502 564288565 /nfs/dbraw/zinc/28/85/65/564288565.db2.gz IWCQHOQLOXHPMM-GFCCVEGCSA-N -1 1 396.515 2.895 20 30 GFEDMM CCOC(=O)[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)CC(C)(C)CC#N ZINC000451417826 564311180 /nfs/dbraw/zinc/31/11/80/564311180.db2.gz LAHDDHCKUJXODE-HNNXBMFYSA-N -1 1 386.901 2.673 20 30 GFEDMM CN(C)c1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c(C(=O)[O-])c1 ZINC000548209617 564536952 /nfs/dbraw/zinc/53/69/52/564536952.db2.gz RZZMZNBYXXQICG-UHFFFAOYSA-N -1 1 379.825 2.777 20 30 GFEDMM COc1ccc(Br)c(CS(=O)(=O)[N-]c2cc(CC#N)ccn2)c1 ZINC000548837694 564577621 /nfs/dbraw/zinc/57/76/21/564577621.db2.gz TXMCUAIWZUBRPR-UHFFFAOYSA-N -1 1 396.266 2.861 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3Br)CC2)o1 ZINC000553841899 564739610 /nfs/dbraw/zinc/73/96/10/564739610.db2.gz KVXBTRZCIGNSSZ-UHFFFAOYSA-N -1 1 381.251 2.924 20 30 GFEDMM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557841385 564880641 /nfs/dbraw/zinc/88/06/41/564880641.db2.gz SAIVBSAAEHMPSM-MEBBXXQBSA-N -1 1 399.266 2.968 20 30 GFEDMM CO[C@H](CC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000557844723 564881994 /nfs/dbraw/zinc/88/19/94/564881994.db2.gz RPKIGQLSPWEVBA-SECBINFHSA-N -1 1 399.284 2.970 20 30 GFEDMM CCc1[n-][nH]c(=NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1Br ZINC000499681399 564933585 /nfs/dbraw/zinc/93/35/85/564933585.db2.gz JUKMDHFLAWLDMA-UHFFFAOYSA-N -1 1 377.217 2.838 20 30 GFEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000535341026 565011563 /nfs/dbraw/zinc/01/15/63/565011563.db2.gz ODEWPNHGDYAHBV-UHFFFAOYSA-N -1 1 381.753 2.649 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2)cc1Br ZINC000561885827 565012035 /nfs/dbraw/zinc/01/20/35/565012035.db2.gz JFHQQROWEKWEJF-UHFFFAOYSA-N -1 1 383.242 2.981 20 30 GFEDMM C[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000593654249 565353804 /nfs/dbraw/zinc/35/38/04/565353804.db2.gz LXMWPZVWGVDEHX-SECBINFHSA-N -1 1 391.262 2.553 20 30 GFEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N)[C@H]1CCOC1 ZINC000594695004 565408384 /nfs/dbraw/zinc/40/83/84/565408384.db2.gz PIFRHWKFZNJNMJ-IJEWVQPXSA-N -1 1 384.523 2.874 20 30 GFEDMM C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000657037184 566210977 /nfs/dbraw/zinc/21/09/77/566210977.db2.gz WNNDBNSKONYQJB-WFASDCNBSA-N -1 1 390.502 2.610 20 30 GFEDMM C=CCCCOC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000735412702 599277825 /nfs/dbraw/zinc/27/78/25/599277825.db2.gz JINAUPSNZSFTMB-UHFFFAOYSA-N -1 1 398.423 2.841 20 30 GFEDMM N#Cc1c(NC(=O)CCN2CC[C@@](F)(C(=O)[O-])C2)sc2c1CCCCC2 ZINC000833067940 601448633 /nfs/dbraw/zinc/44/86/33/601448633.db2.gz JVUASSJHLJRCFB-SFHVURJKSA-N -1 1 379.457 2.716 20 30 GFEDMM C=CCN(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000823919694 607574752 /nfs/dbraw/zinc/57/47/52/607574752.db2.gz NIELCHTYINBACO-UHFFFAOYSA-N -1 1 375.841 2.901 20 30 GFEDMM C=CCN(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000823919694 607574754 /nfs/dbraw/zinc/57/47/54/607574754.db2.gz NIELCHTYINBACO-UHFFFAOYSA-N -1 1 375.841 2.901 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1C ZINC000830342246 604192137 /nfs/dbraw/zinc/19/21/37/604192137.db2.gz WWSGJAXINOJGFI-QZTJIDSGSA-N -1 1 386.496 2.918 20 30 GFEDMM Cc1cnn(-c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000833753924 605190058 /nfs/dbraw/zinc/19/00/58/605190058.db2.gz CQPAQIDITJJKAG-UHFFFAOYSA-N -1 1 396.428 2.860 20 30 GFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCC(O)CC2)cc1 ZINC000822924060 606391833 /nfs/dbraw/zinc/39/18/33/606391833.db2.gz WIPJGZVBXFLBAR-FNORWQNLSA-N -1 1 381.461 2.785 20 30 GFEDMM Cc1cc(C)n(N=Cc2cc(Cl)cc3cccnc23)c(=O)c1-c1nn[n-]n1 ZINC000822198846 606836104 /nfs/dbraw/zinc/83/61/04/606836104.db2.gz MAQBNPXKJZWXAF-UHFFFAOYSA-N -1 1 379.811 2.729 20 30 GFEDMM N#Cc1cccc(OCc2ccoc2C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000822837125 607110084 /nfs/dbraw/zinc/11/00/84/607110084.db2.gz FXCXRKUDWDEMSS-UHFFFAOYSA-N -1 1 393.388 2.619 20 30 GFEDMM N#Cc1cccc(OCc2ccoc2C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000822837125 607110085 /nfs/dbraw/zinc/11/00/85/607110085.db2.gz FXCXRKUDWDEMSS-UHFFFAOYSA-N -1 1 393.388 2.619 20 30 GFEDMM N#Cc1ccsc1C(=O)[N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826387866 608163784 /nfs/dbraw/zinc/16/37/84/608163784.db2.gz VXFPVLNPDDKGAR-UHFFFAOYSA-N -1 1 375.757 2.614 20 30 GFEDMM COc1cc(C#N)ccc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826176859 609277451 /nfs/dbraw/zinc/27/74/51/609277451.db2.gz HPJSBQCQBSBVIO-UHFFFAOYSA-N -1 1 390.382 2.684 20 30 GFEDMM O=C([O-])c1ccc(C=NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(Cl)c1 ZINC000826462259 609470013 /nfs/dbraw/zinc/47/00/13/609470013.db2.gz SMYTZKUTCXCWOR-UHFFFAOYSA-N -1 1 378.179 2.713 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(Br)c(F)c2)o1 ZINC000819782961 660269874 /nfs/dbraw/zinc/26/98/74/660269874.db2.gz RMKKYHLGRYTINP-UHFFFAOYSA-N -1 1 380.181 2.901 20 30 GFEDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000273607708 655150731 /nfs/dbraw/zinc/15/07/31/655150731.db2.gz NJIUGZMGZRLKFE-ZETCQYMHSA-N -1 1 376.385 2.777 20 30 GFEDMM CSc1nc(C)c(CCC(=O)N(C)c2cc(Cl)ccc2C#N)c(=O)[n-]1 ZINC000177750997 655287576 /nfs/dbraw/zinc/28/75/76/655287576.db2.gz RDJAEIXVXKZFPY-UHFFFAOYSA-N -1 1 376.869 2.921 20 30 GFEDMM CNS(=O)(=O)c1cccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)c1 ZINC000255127419 655437289 /nfs/dbraw/zinc/43/72/89/655437289.db2.gz AYJWSCQDQULPAN-ALCCZGGFSA-N -1 1 396.262 2.959 20 30 GFEDMM O=C1Nc2c(cc(Cl)cc2Br)C1=N[N-]c1ncnc2[nH]cnc21 ZINC000735614419 655649698 /nfs/dbraw/zinc/64/96/98/655649698.db2.gz XJJNZAMTIGUZOI-UHFFFAOYSA-N -1 1 392.604 2.537 20 30 GFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1c(Cl)nc2sccn21 ZINC000741846403 655708309 /nfs/dbraw/zinc/70/83/09/655708309.db2.gz AVTUFGLLHQHPBA-UHFFFAOYSA-N -1 1 379.854 2.512 20 30 GFEDMM CC(N=Nc1nc2[nH][n-]cc-2c(=O)n1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000749859875 655808302 /nfs/dbraw/zinc/80/83/02/655808302.db2.gz UMDAFUWYEOICLY-QMMMGPOBSA-N -1 1 381.223 2.994 20 30 GFEDMM O=S(=O)(c1ccc(N=NCc2cccc(Cl)c2[O-])nc1)N1CCCC1 ZINC000753163617 655851185 /nfs/dbraw/zinc/85/11/85/655851185.db2.gz RFAJZAJPXJYEIQ-UHFFFAOYSA-N -1 1 380.857 2.671 20 30 GFEDMM CCCc1cc(=O)[n-]c(SCCCC(=O)ONC(=N)c2cccs2)n1 ZINC000767034238 656191729 /nfs/dbraw/zinc/19/17/29/656191729.db2.gz UARMWHQYAFPCRN-UHFFFAOYSA-N -1 1 380.495 2.932 20 30 GFEDMM Cc1cc(Br)c([O-])c(C=NNC(=S)NCCc2ccccn2)c1 ZINC000781591529 657065142 /nfs/dbraw/zinc/06/51/42/657065142.db2.gz JKGJTOOOSVRKEL-UHFFFAOYSA-N -1 1 393.310 2.899 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cscc1Br ZINC000794915357 658635325 /nfs/dbraw/zinc/63/53/25/658635325.db2.gz NUUNBXZVWHIGLU-UHFFFAOYSA-N -1 1 390.240 2.731 20 30 GFEDMM CNC(=S)NN=C(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814692607 660093869 /nfs/dbraw/zinc/09/38/69/660093869.db2.gz YJMFHVMPEGUTFY-UHFFFAOYSA-N -1 1 376.507 2.614 20 30 GFEDMM COc1cccc(S(C)(=O)=O)c1N=NCc1cccc(C(=O)[O-])c1Cl ZINC000814905468 660098319 /nfs/dbraw/zinc/09/83/19/660098319.db2.gz HQIPBUJCIYJKHA-UHFFFAOYSA-N -1 1 382.825 2.896 20 30 GFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)C[C@]1(C)CC1(Cl)Cl)C(=O)OCC ZINC000867589885 662561356 /nfs/dbraw/zinc/56/13/56/662561356.db2.gz RHDHBKGYPARYBL-KOLCDFICSA-N -1 1 378.705 2.564 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)c1F ZINC000903095064 663773192 /nfs/dbraw/zinc/77/31/92/663773192.db2.gz SNZAEDHTXRPOEH-JTQLQIEISA-N -1 1 379.251 2.813 20 30 GFEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)c1 ZINC000055639406 551173669 /nfs/dbraw/zinc/17/36/69/551173669.db2.gz KSMLQZHOYNUARP-UHFFFAOYSA-N -1 1 375.837 2.905 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000310781948 563434995 /nfs/dbraw/zinc/43/49/95/563434995.db2.gz PAAMPBRDKGBLIN-INIZCTEOSA-N -1 1 375.881 2.764 20 30 GFEDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)c(C)c1 ZINC000430983352 563550669 /nfs/dbraw/zinc/55/06/69/563550669.db2.gz DFPCWZSJHSUKFK-UHFFFAOYSA-N -1 1 378.475 2.710 20 30 GFEDMM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(Br)ccc3[O-])C2)nc1 ZINC000436868078 563683476 /nfs/dbraw/zinc/68/34/76/563683476.db2.gz FRNRVBADVFDORP-CYBMUJFWSA-N -1 1 388.221 2.715 20 30 GFEDMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(I)c([O-])c1 ZINC000437503611 563695870 /nfs/dbraw/zinc/69/58/70/563695870.db2.gz XZKUAANOEJMRBZ-BXUZGUMPSA-N -1 1 387.217 2.708 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC2(C(F)F)CC2)cc1Br ZINC000451479200 564318027 /nfs/dbraw/zinc/31/80/27/564318027.db2.gz MEZWQJQPWPAPKI-UHFFFAOYSA-N -1 1 383.189 2.783 20 30 GFEDMM N#CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000477986530 564392510 /nfs/dbraw/zinc/39/25/10/564392510.db2.gz IIFTUEHTGMVSCT-UHFFFAOYSA-N -1 1 394.250 2.503 20 30 GFEDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000528543539 564792179 /nfs/dbraw/zinc/79/21/79/564792179.db2.gz AICDDMYLXKFTHH-FJBRNLEUSA-N -1 1 391.262 2.550 20 30 GFEDMM N#Cc1c(Br)cccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000555530501 564797070 /nfs/dbraw/zinc/79/70/70/564797070.db2.gz POKAYCCXBNFFEC-UHFFFAOYSA-N -1 1 381.207 2.820 20 30 GFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1cccs1 ZINC000593541924 565339574 /nfs/dbraw/zinc/33/95/74/565339574.db2.gz QJDJRRVYPINQDS-HNNXBMFYSA-N -1 1 378.475 2.742 20 30 GFEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cn2)c1 ZINC000737729963 598990958 /nfs/dbraw/zinc/99/09/58/598990958.db2.gz AWDOMTVICYXYFN-UHFFFAOYSA-N -1 1 384.359 2.573 20 30 GFEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cn2)c1 ZINC000737729963 598990960 /nfs/dbraw/zinc/99/09/60/598990960.db2.gz AWDOMTVICYXYFN-UHFFFAOYSA-N -1 1 384.359 2.573 20 30 GFEDMM C[C@H](C#N)Oc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC000735502522 598496317 /nfs/dbraw/zinc/49/63/17/598496317.db2.gz FQYXNIFTOIJOOK-LLVKDONJSA-N -1 1 380.412 2.889 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cnn(-c3ccc(F)cc3)c2)o1 ZINC000735851562 598580628 /nfs/dbraw/zinc/58/06/28/598580628.db2.gz ZTJZNRARNHPSAQ-UHFFFAOYSA-N -1 1 395.402 2.824 20 30 GFEDMM COc1ccc(CN2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1F ZINC000737996205 600562425 /nfs/dbraw/zinc/56/24/25/600562425.db2.gz BUASJNLKFRFYGN-FQEVSTJZSA-N -1 1 383.423 2.649 20 30 GFEDMM COc1ccc(C)cc1CN1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000737976100 600562594 /nfs/dbraw/zinc/56/25/94/600562594.db2.gz OVPSXYDVOUUTFI-NRFANRHFSA-N -1 1 379.460 2.819 20 30 GFEDMM COC(=O)c1cc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC000831258251 600762080 /nfs/dbraw/zinc/76/20/80/600762080.db2.gz RUMHYTLENICUET-STQMWFEESA-N -1 1 395.415 2.721 20 30 GFEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000833074424 601326092 /nfs/dbraw/zinc/32/60/92/601326092.db2.gz XRTBSUQXNXPIHX-JOCHJYFZSA-N -1 1 391.471 2.851 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c(F)c1 ZINC000833069700 601984904 /nfs/dbraw/zinc/98/49/04/601984904.db2.gz MTAKZFUFNMWHGU-CYBMUJFWSA-N -1 1 386.763 2.594 20 30 GFEDMM N#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000760360816 602119125 /nfs/dbraw/zinc/11/91/25/602119125.db2.gz HEZBUTLTYOFSTE-UHFFFAOYSA-N -1 1 386.307 2.505 20 30 GFEDMM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1nnc2n1CCCCC2 ZINC000740303958 602670819 /nfs/dbraw/zinc/67/08/19/602670819.db2.gz OEZBGRCQUDIQAD-CVEARBPZSA-N -1 1 381.436 2.970 20 30 GFEDMM N#Cc1cccc(-c2nnc(CN3CCC[C@@H]([C@H]4CCCN4C(=O)[O-])C3)o2)c1 ZINC000831146059 604039027 /nfs/dbraw/zinc/03/90/27/604039027.db2.gz HSSKRRXQFVUQFP-IAGOWNOFSA-N -1 1 381.436 2.963 20 30 GFEDMM N#Cc1ccc(-c2ccn(CN3CCC(OCCCNC(=O)[O-])CC3)n2)cc1 ZINC000831118355 604150331 /nfs/dbraw/zinc/15/03/31/604150331.db2.gz WFBASZLJALBHPO-UHFFFAOYSA-N -1 1 383.452 2.518 20 30 GFEDMM Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1C ZINC000830505586 604227197 /nfs/dbraw/zinc/22/71/97/604227197.db2.gz KXOCZHVGNJHFRF-ZWKOTPCHSA-N -1 1 386.496 2.918 20 30 GFEDMM C=CCOc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000833378806 605325782 /nfs/dbraw/zinc/32/57/82/605325782.db2.gz NYYKDVSVXJKHIZ-UHFFFAOYSA-N -1 1 378.362 2.659 20 30 GFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC000819782459 606034289 /nfs/dbraw/zinc/03/42/89/606034289.db2.gz MHKQJUFJZXKXNG-HHHXNRCGSA-N -1 1 387.469 2.726 20 30 GFEDMM CCS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821440948 606390686 /nfs/dbraw/zinc/39/06/86/606390686.db2.gz FFFQMGASJNSDTA-VQHVLOKHSA-N -1 1 389.462 2.586 20 30 GFEDMM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821693060 606390725 /nfs/dbraw/zinc/39/07/25/606390725.db2.gz PLNIUJFTVKKMJN-GQCTYLIASA-N -1 1 386.433 2.858 20 30 GFEDMM CC(=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000823961838 607843469 /nfs/dbraw/zinc/84/34/69/607843469.db2.gz AJDPBJINEXHDHF-UHFFFAOYSA-N -1 1 392.250 2.807 20 30 GFEDMM CC(C)n1ncc2cc(CN=Nc3oc(C(C)(C)C)nc3-c3nn[n-]n3)cnc21 ZINC000824377938 607887514 /nfs/dbraw/zinc/88/75/14/607887514.db2.gz UCRWBVSKPJUHJK-UHFFFAOYSA-N -1 1 394.443 2.924 20 30 GFEDMM C#CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823838385 607938680 /nfs/dbraw/zinc/93/86/80/607938680.db2.gz OZZSIIDTAYNOLA-OAHLLOKOSA-N -1 1 387.852 2.563 20 30 GFEDMM COC(=O)COc1c(C)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C ZINC000826138364 608091898 /nfs/dbraw/zinc/09/18/98/608091898.db2.gz REORSCMRWHEFDH-SNAWJCMRSA-N -1 1 398.444 2.993 20 30 GFEDMM COC(=O)COc1c(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000826138364 608091899 /nfs/dbraw/zinc/09/18/99/608091899.db2.gz REORSCMRWHEFDH-SNAWJCMRSA-N -1 1 398.444 2.993 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1cccc(C#N)c1F ZINC000826340751 608439910 /nfs/dbraw/zinc/43/99/10/608439910.db2.gz JSTKBMMCBIASAW-UHFFFAOYSA-N -1 1 392.350 2.927 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1cccc(C#N)c1F ZINC000826340751 608439911 /nfs/dbraw/zinc/43/99/11/608439911.db2.gz JSTKBMMCBIASAW-UHFFFAOYSA-N -1 1 392.350 2.927 20 30 GFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)s1 ZINC000819420815 660258525 /nfs/dbraw/zinc/25/85/25/660258525.db2.gz VRYNJBVUIXKOBJ-LLVKDONJSA-N -1 1 398.945 2.758 20 30 GFEDMM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055594576 654779252 /nfs/dbraw/zinc/77/92/52/654779252.db2.gz LAUBCWPQRWXCRT-UHFFFAOYSA-N -1 1 380.809 2.564 20 30 GFEDMM Cc1cc(=O)[n-]c(NN=C2C(=O)Nc3c2cc(Cl)cc3Br)n1 ZINC000735609103 655649569 /nfs/dbraw/zinc/64/95/69/655649569.db2.gz NVKUEDIKHKLTJF-UHFFFAOYSA-N -1 1 382.605 2.675 20 30 GFEDMM O=S1(=O)[N-]C(=NN=C2COc3cc(Cl)cc(Cl)c32)c2ccccc21 ZINC000743436478 655729039 /nfs/dbraw/zinc/72/90/39/655729039.db2.gz XVSQWEUGXMBWAS-UHFFFAOYSA-N -1 1 382.228 2.829 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(CSC(F)F)o1 ZINC000748248352 655789105 /nfs/dbraw/zinc/78/91/05/655789105.db2.gz LWYUGXVDNMTZLD-UHFFFAOYSA-N -1 1 391.377 2.956 20 30 GFEDMM Cc1cc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Br ZINC000748252446 655789111 /nfs/dbraw/zinc/78/91/11/655789111.db2.gz FAICBDMPIWYNMJ-UHFFFAOYSA-N -1 1 398.238 2.978 20 30 GFEDMM CCCCCCCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000754808127 655874061 /nfs/dbraw/zinc/87/40/61/655874061.db2.gz HPUCDXOMKLBGBP-UHFFFAOYSA-N -1 1 380.507 2.836 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cnc(-c2ccco2)s1 ZINC000782242642 657118995 /nfs/dbraw/zinc/11/89/95/657118995.db2.gz INURRTIUBPOGOW-UHFFFAOYSA-N -1 1 378.391 2.624 20 30 GFEDMM CCOc1c(Cl)cccc1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000782243268 657119131 /nfs/dbraw/zinc/11/91/31/657119131.db2.gz SKTWDHXZWSBFFM-UHFFFAOYSA-N -1 1 383.813 2.959 20 30 GFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)NN=Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000790159179 657932956 /nfs/dbraw/zinc/93/29/56/657932956.db2.gz CFSKMRAOBKSPIH-UHFFFAOYSA-N -1 1 387.776 2.546 20 30 GFEDMM O=C1Nc2c(cccc2I)C1=N[N-]c1ncccc1F ZINC000794984971 658644862 /nfs/dbraw/zinc/64/48/62/658644862.db2.gz QDPOEBBQYLZHAR-UHFFFAOYSA-N -1 1 382.136 2.594 20 30 GFEDMM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795953895 658876691 /nfs/dbraw/zinc/87/66/91/658876691.db2.gz CERSWDSMPBPZJZ-QMMMGPOBSA-N -1 1 379.207 2.577 20 30 GFEDMM C#CCN(C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCC1 ZINC000810517671 659976273 /nfs/dbraw/zinc/97/62/73/659976273.db2.gz JXZCYHRQJHPCSM-UHFFFAOYSA-N -1 1 389.304 2.676 20 30 GFEDMM C=CCC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1 ZINC000849452278 661727861 /nfs/dbraw/zinc/72/78/61/661727861.db2.gz NWWOLVQCUOINQL-UHFFFAOYSA-N -1 1 378.809 2.791 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@](C)(C#N)CSC)c1F ZINC000903124861 663774930 /nfs/dbraw/zinc/77/49/30/663774930.db2.gz WCPJOFKSCJMCND-GFCCVEGCSA-N -1 1 397.291 2.520 20 30 GFEDMM O=S(=O)([N-]C[C@@H](O)C(F)(F)C(F)(F)F)c1cscc1C(F)F ZINC000919780455 664518011 /nfs/dbraw/zinc/51/80/11/664518011.db2.gz JHOHJOXFNXUEPG-ZCFIWIBFSA-N -1 1 375.287 2.523 20 30 GFEDMM C=CCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000055621236 551173408 /nfs/dbraw/zinc/17/34/08/551173408.db2.gz IVXALSKOYMWCIQ-UHFFFAOYSA-N -1 1 380.491 2.602 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000153962848 551463970 /nfs/dbraw/zinc/46/39/70/551463970.db2.gz PNGSHWXFTAMNJP-UHFFFAOYSA-N -1 1 381.207 2.850 20 30 GFEDMM N#Cc1ccc(OCC[N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000173537209 552087759 /nfs/dbraw/zinc/08/77/59/552087759.db2.gz ODERRZRHTSNWSV-UHFFFAOYSA-N -1 1 387.280 2.740 20 30 GFEDMM N#Cc1ccc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1[O-] ZINC000188773292 552455059 /nfs/dbraw/zinc/45/50/59/552455059.db2.gz WBZTZLXNJPCAPU-GFCCVEGCSA-N -1 1 381.215 2.740 20 30 GFEDMM N#Cc1ccc(CNC(=O)c2ccc(I)c([O-])c2)c(F)c1 ZINC000230893956 553065638 /nfs/dbraw/zinc/06/56/38/553065638.db2.gz ZIKZVYNDVFZKBX-UHFFFAOYSA-N -1 1 396.159 2.938 20 30 GFEDMM CCCCOCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451129466 564278478 /nfs/dbraw/zinc/27/84/78/564278478.db2.gz IVJACJNITIWJCW-UHFFFAOYSA-N -1 1 379.251 2.555 20 30 GFEDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 ZINC000295200291 563234466 /nfs/dbraw/zinc/23/44/66/563234466.db2.gz SJOFBYCDNMZAMD-JTQLQIEISA-N -1 1 391.262 2.696 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)cc1Cl ZINC000435145697 563643822 /nfs/dbraw/zinc/64/38/22/563643822.db2.gz TVUFAIYEGPUWDE-ZDUSSCGKSA-N -1 1 375.837 2.616 20 30 GFEDMM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)no1 ZINC000289554566 563678562 /nfs/dbraw/zinc/67/85/62/563678562.db2.gz OMMYLPMTCWNHLC-JTQLQIEISA-N -1 1 384.845 2.559 20 30 GFEDMM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451226643 564289362 /nfs/dbraw/zinc/28/93/62/564289362.db2.gz JLDUYGVQYONJOA-XPTSAGLGSA-N -1 1 393.278 2.535 20 30 GFEDMM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451284959 564295749 /nfs/dbraw/zinc/29/57/49/564295749.db2.gz QEVQIFUEDNJLSO-JTQLQIEISA-N -1 1 393.278 2.537 20 30 GFEDMM C=CCC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000452021250 564383720 /nfs/dbraw/zinc/38/37/20/564383720.db2.gz IJDYOOYXVWLDAW-SECBINFHSA-N -1 1 386.670 2.847 20 30 GFEDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1ccc(Br)cc1 ZINC000573871898 564657845 /nfs/dbraw/zinc/65/78/45/564657845.db2.gz PHIIKSYVOWFAOZ-JTQLQIEISA-N -1 1 385.239 2.660 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2Cl)c(F)c1 ZINC000530372064 564878789 /nfs/dbraw/zinc/87/87/89/564878789.db2.gz FBHKWORQZBUWGC-CYBMUJFWSA-N -1 1 386.763 2.594 20 30 GFEDMM CC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H](O)C(F)(F)F ZINC000497982917 564883192 /nfs/dbraw/zinc/88/31/92/564883192.db2.gz LNMWCEWMJYWVLI-PSASIEDQSA-N -1 1 383.285 2.825 20 30 GFEDMM N#CCc1ccnc([N-]S(=O)(=O)CCc2ccccc2Br)c1 ZINC000583726533 564904102 /nfs/dbraw/zinc/90/41/02/564904102.db2.gz HKNVEYNLRIDSQE-UHFFFAOYSA-N -1 1 380.267 2.895 20 30 GFEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc([S@](C)=O)cc1 ZINC000534408221 564988763 /nfs/dbraw/zinc/98/87/63/564988763.db2.gz RHVCNWVKVAYJLB-ZZDSUILFSA-N -1 1 384.429 2.613 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1Cl ZINC000594485676 565394922 /nfs/dbraw/zinc/39/49/22/565394922.db2.gz BNUCVCKUUYNRTH-GWCFXTLKSA-N -1 1 382.791 2.990 20 30 GFEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c1F ZINC000594577194 565400576 /nfs/dbraw/zinc/40/05/76/565400576.db2.gz XFXIDDGHYROTLH-OAHLLOKOSA-N -1 1 376.837 2.872 20 30 GFEDMM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CC(F)(F)C(F)F ZINC000629350441 565847300 /nfs/dbraw/zinc/84/73/00/565847300.db2.gz REJKEZDVFYUXOF-UHFFFAOYSA-N -1 1 385.257 2.773 20 30 GFEDMM C=C[C@@H](C)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000678304222 566006327 /nfs/dbraw/zinc/00/63/27/566006327.db2.gz LATNQZKGFJPIJH-RXMQYKEDSA-N -1 1 381.635 2.802 20 30 GFEDMM N#CCN(C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C1CC1 ZINC000737694836 598396491 /nfs/dbraw/zinc/39/64/91/598396491.db2.gz XWGILIBVFVYGKU-UHFFFAOYSA-N -1 1 378.367 2.926 20 30 GFEDMM N#CCN(C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C1CC1 ZINC000737694836 598396494 /nfs/dbraw/zinc/39/64/94/598396494.db2.gz XWGILIBVFVYGKU-UHFFFAOYSA-N -1 1 378.367 2.926 20 30 GFEDMM CCn1c(C)cc(-c2csc(=NC)n2N=Cc2ccc(-c3nnn[n-]3)o2)c1C ZINC000736719922 599323808 /nfs/dbraw/zinc/32/38/08/599323808.db2.gz FLMWSQOPZFIMFW-UHFFFAOYSA-N -1 1 396.480 2.841 20 30 GFEDMM CCn1c(C)cc(-c2csc(=NC)n2N=Cc2ccc(-c3nn[n-]n3)o2)c1C ZINC000736719922 599323810 /nfs/dbraw/zinc/32/38/10/599323810.db2.gz FLMWSQOPZFIMFW-UHFFFAOYSA-N -1 1 396.480 2.841 20 30 GFEDMM N#Cc1c(-c2nn[n-]n2)nc(N)n1Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000737706065 599370549 /nfs/dbraw/zinc/37/05/49/599370549.db2.gz VMPNQJYJSILLLD-UHFFFAOYSA-N -1 1 394.345 2.636 20 30 GFEDMM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])c1C#N ZINC000738254457 600366938 /nfs/dbraw/zinc/36/69/38/600366938.db2.gz VYPGNSFDWLVVOL-CQSZACIVSA-N -1 1 382.464 2.616 20 30 GFEDMM COC(=O)c1cc(NC(=O)[C@H](C)N[C@H](C)c2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC000831258249 600762064 /nfs/dbraw/zinc/76/20/64/600762064.db2.gz RUMHYTLENICUET-OLZOCXBDSA-N -1 1 395.415 2.721 20 30 GFEDMM COC(=O)c1cc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC000831258250 600762127 /nfs/dbraw/zinc/76/21/27/600762127.db2.gz RUMHYTLENICUET-QWHCGFSZSA-N -1 1 395.415 2.721 20 30 GFEDMM C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823919775 607574801 /nfs/dbraw/zinc/57/48/01/607574801.db2.gz QFRLMNJPWQLVHZ-UHFFFAOYSA-N -1 1 375.841 2.901 20 30 GFEDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1-c1ccccc1C#N ZINC000833625164 605156241 /nfs/dbraw/zinc/15/62/41/605156241.db2.gz JYZQMIOIKKYKSO-INIZCTEOSA-N -1 1 377.444 2.846 20 30 GFEDMM N#Cc1ccccc1C=CC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000831152789 605438376 /nfs/dbraw/zinc/43/83/76/605438376.db2.gz MYMIIBAPXBGAAH-YFHOEESVSA-N -1 1 388.387 2.763 20 30 GFEDMM N#Cc1ccccc1C=CC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000831152789 605438382 /nfs/dbraw/zinc/43/83/82/605438382.db2.gz MYMIIBAPXBGAAH-YFHOEESVSA-N -1 1 388.387 2.763 20 30 GFEDMM c1cc(-c2nn[n-]n2)sc1CN=Nc1ncnc2c1cnn2-c1ccccc1 ZINC000819719060 606370341 /nfs/dbraw/zinc/37/03/41/606370341.db2.gz YBSJBCROPCYJAN-UHFFFAOYSA-N -1 1 388.420 2.503 20 30 GFEDMM CN1CC(=Cc2ccc(C#N)s2)C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000821620789 606386794 /nfs/dbraw/zinc/38/67/94/606386794.db2.gz VYLYVCIECOQKRI-CZIBKUHYSA-N -1 1 394.485 2.843 20 30 GFEDMM C=CCCS(=O)(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819740449 607003162 /nfs/dbraw/zinc/00/31/62/607003162.db2.gz ZTWLIWMFGGRDRF-UHFFFAOYSA-N -1 1 375.479 2.591 20 30 GFEDMM Cc1ncc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)n1-c1ccccc1 ZINC000826329963 607887799 /nfs/dbraw/zinc/88/77/99/607887799.db2.gz ZPUWAMMGCARENQ-UHFFFAOYSA-N -1 1 377.412 2.918 20 30 GFEDMM CCOC(=O)[C@H]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000825498710 608054105 /nfs/dbraw/zinc/05/41/05/608054105.db2.gz AZSRYIUTVVLGKV-QWRGUYRKSA-N -1 1 375.433 2.745 20 30 GFEDMM O=C(C=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400438 608093798 /nfs/dbraw/zinc/09/37/98/608093798.db2.gz ZBNWDRQSZOTKGS-OWOJBTEDSA-N -1 1 385.361 2.504 20 30 GFEDMM O=C(C=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400438 608093799 /nfs/dbraw/zinc/09/37/99/608093799.db2.gz ZBNWDRQSZOTKGS-OWOJBTEDSA-N -1 1 385.361 2.504 20 30 GFEDMM CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@](C)(C#N)C2)c1-c1nn[n-]n1 ZINC000826231757 608140810 /nfs/dbraw/zinc/14/08/10/608140810.db2.gz YJYGNWOTNGQSEN-SFHVURJKSA-N -1 1 383.481 2.627 20 30 GFEDMM C[C@H]1CC(NC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)=NO1 ZINC000824893829 608208029 /nfs/dbraw/zinc/20/80/29/608208029.db2.gz VIVYNEWLTQKZQZ-JTQLQIEISA-N -1 1 382.355 2.650 20 30 GFEDMM C[C@H]1CC(NC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)=NO1 ZINC000824893829 608208031 /nfs/dbraw/zinc/20/80/31/608208031.db2.gz VIVYNEWLTQKZQZ-JTQLQIEISA-N -1 1 382.355 2.650 20 30 GFEDMM N#Cc1ccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c(F)c1 ZINC000826384741 609279562 /nfs/dbraw/zinc/27/95/62/609279562.db2.gz HQWKPJJSMWCRQX-UHFFFAOYSA-N -1 1 378.346 2.814 20 30 GFEDMM N#CCc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826382425 609287688 /nfs/dbraw/zinc/28/76/88/609287688.db2.gz DNMPCOJTAAAVHN-UHFFFAOYSA-N -1 1 388.366 2.510 20 30 GFEDMM CCCCCCCCc1nnc([N-]C(=O)c2coc(S(N)(=O)=O)c2)s1 ZINC000159721558 655116508 /nfs/dbraw/zinc/11/65/08/655116508.db2.gz LRCPQXFTAKMMDF-UHFFFAOYSA-N -1 1 386.499 2.934 20 30 GFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(I)c1 ZINC000107877707 655125716 /nfs/dbraw/zinc/12/57/16/655125716.db2.gz ZBERVMIOLWIJFP-SECBINFHSA-N -1 1 397.197 2.709 20 30 GFEDMM N#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2Br)c1 ZINC000753524646 655855463 /nfs/dbraw/zinc/85/54/63/655855463.db2.gz TVAYICGWLGMNIK-UHFFFAOYSA-N -1 1 399.197 2.959 20 30 GFEDMM Cc1cc(=O)[n-]c(NN=C2CCOc3c2cc(Br)cc3[N+](=O)[O-])n1 ZINC000761795679 656021353 /nfs/dbraw/zinc/02/13/53/656021353.db2.gz YGGBCXLBOJQFAS-UHFFFAOYSA-N -1 1 394.185 2.760 20 30 GFEDMM COc1cc(Br)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c(OC)c1 ZINC000768483934 656239948 /nfs/dbraw/zinc/23/99/48/656239948.db2.gz MQNTYXAVCBNSSF-AWFCHZOYSA-N -1 1 395.205 2.695 20 30 GFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cc(Br)cs1 ZINC000782198855 657114603 /nfs/dbraw/zinc/11/46/03/657114603.db2.gz LVQIGPNGXLKAJF-UHFFFAOYSA-N -1 1 384.280 2.973 20 30 GFEDMM CN(C)S(=O)(=O)c1ccccc1NN=Cc1cccc(Br)c1[O-] ZINC000793192059 658369105 /nfs/dbraw/zinc/36/91/05/658369105.db2.gz RHIZKFCZYHZEFC-UHFFFAOYSA-N -1 1 398.282 2.851 20 30 GFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccoc1CC(N)=O ZINC000796792221 658939540 /nfs/dbraw/zinc/93/95/40/658939540.db2.gz FYMHGDSNLWPHEU-SNVBAGLBSA-N -1 1 380.187 2.575 20 30 GFEDMM N#Cc1cc(Br)ccc1N1CC(C(=O)[N-]OCCC(F)(F)F)C1 ZINC000843860526 661394707 /nfs/dbraw/zinc/39/47/07/661394707.db2.gz ZJVIXDCOJHBCAR-UHFFFAOYSA-N -1 1 392.175 2.757 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC2SCCS2)cc1Br ZINC000851835164 661837072 /nfs/dbraw/zinc/83/70/72/661837072.db2.gz IHONFOUGMPJTBT-UHFFFAOYSA-N -1 1 397.316 2.544 20 30 GFEDMM COc1ccc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c(Br)c1 ZINC000901773219 663745542 /nfs/dbraw/zinc/74/55/42/663745542.db2.gz XJNVFABTEWCAGT-SNVBAGLBSA-N -1 1 387.177 2.581 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)c1F ZINC000903130417 663775222 /nfs/dbraw/zinc/77/52/22/663775222.db2.gz VJLBDORTXFXWDZ-ZDUSSCGKSA-N -1 1 377.235 2.567 20 30 GFEDMM C=C(C)C[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(=O)OC ZINC000913661194 664348224 /nfs/dbraw/zinc/34/82/24/664348224.db2.gz DHNCCGOPABJDEJ-SNVBAGLBSA-N -1 1 377.185 2.560 20 30 GFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(Br)cc2F)c2ccccc21 ZINC000914599583 664412667 /nfs/dbraw/zinc/41/26/67/664412667.db2.gz GLPBKHRKGIBSOY-UHFFFAOYSA-N -1 1 382.214 2.661 20 30 GFEDMM Cc1sc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c(C#N)c1C ZINC000914775063 664415586 /nfs/dbraw/zinc/41/55/86/664415586.db2.gz PHYBYVKUJJHDHF-UHFFFAOYSA-N -1 1 379.463 2.866 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c1F ZINC000916042445 664447838 /nfs/dbraw/zinc/44/78/38/664447838.db2.gz LZBPGKVOFDLVJC-UWVGGRQHSA-N -1 1 391.262 2.957 20 30 GFEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c(Br)ccc(OC)c1F ZINC000916112915 664450318 /nfs/dbraw/zinc/45/03/18/664450318.db2.gz BXDQRCROQUGWNS-MNOVXSKESA-N -1 1 394.262 2.609 20 30 GFEDMM Cc1ccc(NC(=O)CSCC#N)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000058225268 551182231 /nfs/dbraw/zinc/18/22/31/551182231.db2.gz ZLWYXMBPLJNWHZ-UHFFFAOYSA-N -1 1 375.475 2.991 20 30 GFEDMM Cc1ccc(NC(=O)CSCC#N)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000058255085 551182677 /nfs/dbraw/zinc/18/26/77/551182677.db2.gz TUPCOVGLWXUGKK-UHFFFAOYSA-N -1 1 375.475 2.991 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)c1 ZINC000153971208 551464287 /nfs/dbraw/zinc/46/42/87/551464287.db2.gz QJGLSYHRGFTIIB-UHFFFAOYSA-N -1 1 395.238 2.612 20 30 GFEDMM CC(C)(C(N)=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000158223284 551548432 /nfs/dbraw/zinc/54/84/32/551548432.db2.gz QNGCVDRSURKWRB-UHFFFAOYSA-N -1 1 377.853 2.775 20 30 GFEDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H]1CCCCO1 ZINC000451371355 564305903 /nfs/dbraw/zinc/30/59/03/564305903.db2.gz DFFZOELPKLRIQV-TVQRCGJNSA-N -1 1 391.262 2.696 20 30 GFEDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CCOCC1 ZINC000296060673 563272736 /nfs/dbraw/zinc/27/27/36/563272736.db2.gz BJWMYCOXLYCYLR-VIFPVBQESA-N -1 1 391.262 2.553 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3c[nH]nc32)cc1Br ZINC000296353340 563284417 /nfs/dbraw/zinc/28/44/17/563284417.db2.gz QNYYIVZYGLMDCB-GFCCVEGCSA-N -1 1 399.245 2.539 20 30 GFEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)CC1CCCCCC1 ZINC000329887818 563491106 /nfs/dbraw/zinc/49/11/06/563491106.db2.gz XYBYQFCGLQLTIC-UHFFFAOYSA-N -1 1 375.516 2.752 20 30 GFEDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)o1 ZINC000416487429 563837201 /nfs/dbraw/zinc/83/72/01/563837201.db2.gz JJHORJKUGPXHLO-UHFFFAOYSA-N -1 1 384.255 2.658 20 30 GFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1c(F)cc(I)cc1F ZINC000416965137 563864854 /nfs/dbraw/zinc/86/48/54/563864854.db2.gz ULVJGFRDZWEQNJ-ZETCQYMHSA-N -1 1 386.161 2.613 20 30 GFEDMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2Cl)s1 ZINC000451070275 564270249 /nfs/dbraw/zinc/27/02/49/564270249.db2.gz NRESRCYYSSJIQT-UHFFFAOYSA-N -1 1 397.909 2.947 20 30 GFEDMM C[C@H]1CCCN(S(=O)(=O)[N-]c2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542050363 564299138 /nfs/dbraw/zinc/29/91/38/564299138.db2.gz JOVQFIOEYPXYER-LBPRGKRZSA-N -1 1 379.873 2.786 20 30 GFEDMM C=CCC[C@@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)OCC ZINC000451985826 564375696 /nfs/dbraw/zinc/37/56/96/564375696.db2.gz FBONRIWTFBOUJR-SNVBAGLBSA-N -1 1 382.301 2.687 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)c1 ZINC000550790500 564631652 /nfs/dbraw/zinc/63/16/52/564631652.db2.gz RULJETLNWSLEHF-UHFFFAOYSA-N -1 1 395.160 2.863 20 30 GFEDMM Cc1nc([C@](C)([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)C2CC2)no1 ZINC000581767674 564818045 /nfs/dbraw/zinc/81/80/45/564818045.db2.gz KCBDELTXGKHAHM-MRXNPFEDSA-N -1 1 380.857 2.701 20 30 GFEDMM N#Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)cc1[O-] ZINC000582504559 564849365 /nfs/dbraw/zinc/84/93/65/564849365.db2.gz KDAUAGRLRLTQSC-AWEZNQCLSA-N -1 1 379.185 2.629 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)cc1Br ZINC000558596161 564907877 /nfs/dbraw/zinc/90/78/77/564907877.db2.gz RHAHIBWUBVKLDH-UHFFFAOYSA-N -1 1 395.160 2.863 20 30 GFEDMM COC(=O)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Br)cc1 ZINC000614364887 565109152 /nfs/dbraw/zinc/10/91/52/565109152.db2.gz AXCYJOVFNPFUST-HNNXBMFYSA-N -1 1 389.205 2.670 20 30 GFEDMM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)nc1C ZINC000593563026 565341746 /nfs/dbraw/zinc/34/17/46/565341746.db2.gz KFYCPVNKOWAMFA-VIFPVBQESA-N -1 1 385.492 2.601 20 30 GFEDMM C=CCC1([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)CCOCC1 ZINC000594846762 565428616 /nfs/dbraw/zinc/42/86/16/565428616.db2.gz UCJDGQSJNSOJGH-UHFFFAOYSA-N -1 1 391.848 2.669 20 30 GFEDMM C=CCN(C(=O)c1ccc(I)c([O-])c1)[C@@H](C)COC ZINC000597953849 565585045 /nfs/dbraw/zinc/58/50/45/565585045.db2.gz BNSJGNTUXWLMPW-JTQLQIEISA-N -1 1 375.206 2.660 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnn(-c3ccc(F)cc3)c2)o1 ZINC000735657141 598580385 /nfs/dbraw/zinc/58/03/85/598580385.db2.gz PHAOLNPUHFRKRW-UHFFFAOYSA-N -1 1 395.402 2.923 20 30 GFEDMM N#Cc1cccc([C@H](NCc2cccc(C(=O)NCc3ccco3)c2)C(=O)[O-])c1 ZINC000833076234 601302386 /nfs/dbraw/zinc/30/23/86/601302386.db2.gz SGTBNDYDBXRNQG-FQEVSTJZSA-N -1 1 389.411 2.997 20 30 GFEDMM COc1ccc(CN2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1F ZINC000832313858 601310575 /nfs/dbraw/zinc/31/05/75/601310575.db2.gz DLTNWERTZKDFBO-FQEVSTJZSA-N -1 1 383.423 2.649 20 30 GFEDMM Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)c1C#N ZINC000832849586 601524535 /nfs/dbraw/zinc/52/45/35/601524535.db2.gz KKRDZPMUKOZDMI-XIKOKIGWSA-N -1 1 398.438 2.696 20 30 GFEDMM N#Cc1ccccc1S(=O)(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833076956 602124917 /nfs/dbraw/zinc/12/49/17/602124917.db2.gz URWLHVUZANOGER-UHFFFAOYSA-N -1 1 382.397 2.976 20 30 GFEDMM C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)N1C(=O)[O-] ZINC000739178988 602840417 /nfs/dbraw/zinc/84/04/17/602840417.db2.gz AOAXXLSGOZVKPP-TXEJJXNPSA-N -1 1 376.482 2.510 20 30 GFEDMM N#Cc1ccc(-c2nnc(CN3CCC[C@@H]([C@H]4CCCN4C(=O)[O-])C3)o2)cc1 ZINC000831117665 604038396 /nfs/dbraw/zinc/03/83/96/604038396.db2.gz CAJGHJIABQJVAB-IAGOWNOFSA-N -1 1 381.436 2.963 20 30 GFEDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000833623847 605209265 /nfs/dbraw/zinc/20/92/65/605209265.db2.gz GORGASVMYFJSLH-INIZCTEOSA-N -1 1 392.459 2.923 20 30 GFEDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1Oc1ccccc1C#N ZINC000833626136 605302308 /nfs/dbraw/zinc/30/23/08/605302308.db2.gz OEMLUPIPTHTFOI-MRXNPFEDSA-N -1 1 393.443 2.972 20 30 GFEDMM N#CCSc1ccccc1NC(=O)CN1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1 ZINC000833966896 605450194 /nfs/dbraw/zinc/45/01/94/605450194.db2.gz FMCLXAOOXMDWHD-KKUMJFAQSA-N -1 1 388.493 2.609 20 30 GFEDMM Cc1nn(-c2ccccc2)c(COC(=O)Cc2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC000822487011 606146709 /nfs/dbraw/zinc/14/67/09/606146709.db2.gz XLNSHIKOHPYNCJ-UHFFFAOYSA-N -1 1 399.414 2.518 20 30 GFEDMM N#Cc1nc(NCCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1Cl ZINC000822845687 606447260 /nfs/dbraw/zinc/44/72/60/606447260.db2.gz DCSWCLDLJRODLR-UHFFFAOYSA-N -1 1 390.238 2.749 20 30 GFEDMM N#Cc1nc(NCCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1Cl ZINC000822845687 606447261 /nfs/dbraw/zinc/44/72/61/606447261.db2.gz DCSWCLDLJRODLR-UHFFFAOYSA-N -1 1 390.238 2.749 20 30 GFEDMM COc1cc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c(OC)cc1O ZINC000821707890 606837552 /nfs/dbraw/zinc/83/75/52/606837552.db2.gz GUQQXAGVRJHAGC-UHFFFAOYSA-N -1 1 387.400 2.537 20 30 GFEDMM C=CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccccc1OC ZINC000823937356 607895619 /nfs/dbraw/zinc/89/56/19/607895619.db2.gz UCEWABCVHUUXME-UHFFFAOYSA-N -1 1 392.448 2.866 20 30 GFEDMM C=CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccccc1OC ZINC000823937356 607895620 /nfs/dbraw/zinc/89/56/20/607895620.db2.gz UCEWABCVHUUXME-UHFFFAOYSA-N -1 1 392.448 2.866 20 30 GFEDMM CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC(C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000823962793 607964826 /nfs/dbraw/zinc/96/48/26/607964826.db2.gz OVBDSTSSFYSXSZ-UHFFFAOYSA-N -1 1 386.372 2.503 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCCCc2ccc3c(c2)OCCO3)o1 ZINC000824352334 608387911 /nfs/dbraw/zinc/38/79/11/608387911.db2.gz ACGIXQZXRUFABW-UHFFFAOYSA-N -1 1 383.412 2.780 20 30 GFEDMM CC(=O)Nc1ccc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc1 ZINC000823999509 609372642 /nfs/dbraw/zinc/37/26/42/609372642.db2.gz DGKCZRAAIQVXAA-UHFFFAOYSA-N -1 1 382.428 2.848 20 30 GFEDMM N#Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(Cl)c1 ZINC000822833553 660355515 /nfs/dbraw/zinc/35/55/15/660355515.db2.gz RPQGOWLIMKVYFX-UHFFFAOYSA-N -1 1 395.231 2.846 20 30 GFEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000826383390 660453557 /nfs/dbraw/zinc/45/35/57/660453557.db2.gz YKDXNMADYBIMGZ-UHFFFAOYSA-N -1 1 397.613 2.534 20 30 GFEDMM CC(C)(CC#N)CS(=O)(=O)[N-]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000830618877 660667557 /nfs/dbraw/zinc/66/75/57/660667557.db2.gz PQKSEEGTRASXRK-AWEZNQCLSA-N -1 1 398.834 2.949 20 30 GFEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000832348422 660774370 /nfs/dbraw/zinc/77/43/70/660774370.db2.gz MGGRCFZLDVNHHU-ZJUUUORDSA-N -1 1 381.679 2.509 20 30 GFEDMM C#CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000018837716 654523665 /nfs/dbraw/zinc/52/36/65/654523665.db2.gz QOBWJXOVKUHXNJ-UHFFFAOYSA-N -1 1 393.262 2.613 20 30 GFEDMM [O-]c1c(Br)cccc1C=NNC(=S)NCCc1ccccn1 ZINC000726423477 655534013 /nfs/dbraw/zinc/53/40/13/655534013.db2.gz KFINFEJVHQKJDK-UHFFFAOYSA-N -1 1 379.283 2.590 20 30 GFEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1 ZINC000741648544 655707197 /nfs/dbraw/zinc/70/71/97/655707197.db2.gz KPFBQKXFDAPMMC-UHFFFAOYSA-N -1 1 380.809 2.830 20 30 GFEDMM CS(=O)(=O)c1ccccc1NN=Cc1cc(O)c([O-])c(Br)c1 ZINC000757575721 655913413 /nfs/dbraw/zinc/91/34/13/655913413.db2.gz PVXYSMPTWARJPE-UHFFFAOYSA-N -1 1 385.239 2.710 20 30 GFEDMM CC(SCc1nc(=O)c2c(C)c(C)sc2[nH]1)=C([O-])N=C1C[C@@H](C)ON1 ZINC000763257411 656077742 /nfs/dbraw/zinc/07/77/42/656077742.db2.gz CENSJXVISZVNRX-GMSGAONNSA-N -1 1 380.495 2.874 20 30 GFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1ccc(Br)cc1Cl ZINC000763363919 656080902 /nfs/dbraw/zinc/08/09/02/656080902.db2.gz SDVHDYKBBYWDPY-UHFFFAOYSA-N -1 1 381.621 2.684 20 30 GFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000766483150 656172722 /nfs/dbraw/zinc/17/27/22/656172722.db2.gz UEBORGJUVIWSPW-UHFFFAOYSA-N -1 1 377.769 2.631 20 30 GFEDMM CC(=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc([O-])c(Cl)c1 ZINC000768770005 656250678 /nfs/dbraw/zinc/25/06/78/656250678.db2.gz ZHIMPOHCRTWPOI-UHFFFAOYSA-N -1 1 383.813 2.797 20 30 GFEDMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000770730720 656328690 /nfs/dbraw/zinc/32/86/90/656328690.db2.gz YNIKKDVOJREMGK-NSHDSACASA-N -1 1 392.790 2.944 20 30 GFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)[C@@H]1CCCO1 ZINC000773059453 656397902 /nfs/dbraw/zinc/39/79/02/656397902.db2.gz WYERPEGKIBFDKQ-SFYZADRCSA-N -1 1 384.704 2.623 20 30 GFEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000778828086 656892198 /nfs/dbraw/zinc/89/21/98/656892198.db2.gz DYOAYWOFWPIRMZ-QLJPJBMISA-N -1 1 383.242 2.754 20 30 GFEDMM Cc1cc(Br)c([O-])c(C=NNS(=O)(=O)Cc2ccccc2)c1 ZINC000781587294 657065131 /nfs/dbraw/zinc/06/51/31/657065131.db2.gz DJMCHHCWPOQCTH-UHFFFAOYSA-N -1 1 383.267 2.917 20 30 GFEDMM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccoc1CC(N)=O ZINC000796792672 658939467 /nfs/dbraw/zinc/93/94/67/658939467.db2.gz LHRRIFGHLDXSNC-GFCCVEGCSA-N -1 1 380.187 2.575 20 30 GFEDMM C#CCONC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000812785058 660034769 /nfs/dbraw/zinc/03/47/69/660034769.db2.gz DNHXXFDDYSUKLN-UHFFFAOYSA-N -1 1 378.837 2.744 20 30 GFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(N)c1 ZINC000814822262 660096820 /nfs/dbraw/zinc/09/68/20/660096820.db2.gz KNMHHXDGDUFRTO-UHFFFAOYSA-N -1 1 382.829 2.674 20 30 GFEDMM C=CCOC[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)OC ZINC000843874460 661395365 /nfs/dbraw/zinc/39/53/65/661395365.db2.gz LLDKFPFBDIONCV-LLVKDONJSA-N -1 1 382.190 2.946 20 30 GFEDMM CC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)ccc1Br ZINC000901772870 663745566 /nfs/dbraw/zinc/74/55/66/663745566.db2.gz RXAXVNKXVFFSQU-NSHDSACASA-N -1 1 399.188 2.775 20 30 GFEDMM C=CCOC[C@@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000901808378 663746548 /nfs/dbraw/zinc/74/65/48/663746548.db2.gz IRFYSAJIXOTRJH-GFCCVEGCSA-N -1 1 380.185 2.796 20 30 GFEDMM C=C(C)C[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(=O)OC ZINC000913661193 664348230 /nfs/dbraw/zinc/34/82/30/664348230.db2.gz DHNCCGOPABJDEJ-JTQLQIEISA-N -1 1 377.185 2.560 20 30 GFEDMM C#CC1([N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)CCCC1 ZINC000919780346 664517973 /nfs/dbraw/zinc/51/79/73/664517973.db2.gz IERMPEAQEGSBMD-QHCPKHFHSA-N -1 1 380.413 2.814 20 30 GFEDMM N#Cc1ccc(N2C[C@H](C(=O)[N-]OCCC(F)(F)F)CC2=O)cc1Cl ZINC000829052692 677674589 /nfs/dbraw/zinc/67/45/89/677674589.db2.gz IUSZOHXBFBESBF-SNVBAGLBSA-N -1 1 375.734 2.565 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1 ZINC000153987455 551464361 /nfs/dbraw/zinc/46/43/61/551464361.db2.gz AFUQRHWMTPCMMS-UHFFFAOYSA-N -1 1 392.234 2.616 20 30 GFEDMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000153987197 551464646 /nfs/dbraw/zinc/46/46/46/551464646.db2.gz KPTNIZDZMXOFRX-OAQYLSRUSA-N -1 1 399.291 2.859 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)cn1 ZINC000182873852 552295216 /nfs/dbraw/zinc/29/52/16/552295216.db2.gz BHDWLOBNJLMEFB-CYBMUJFWSA-N -1 1 377.294 2.813 20 30 GFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c1 ZINC000192129970 552552280 /nfs/dbraw/zinc/55/22/80/552552280.db2.gz HNZLJXZAEUUIJZ-CQSZACIVSA-N -1 1 378.475 2.790 20 30 GFEDMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1Cl ZINC000427099145 563459852 /nfs/dbraw/zinc/45/98/52/563459852.db2.gz FHFATSKCSBITLH-UHFFFAOYSA-N -1 1 381.816 2.853 20 30 GFEDMM N#Cc1ccc(C(=O)NC[C@H](CO)Cc2ccccc2Br)cc1[O-] ZINC000430157339 563536639 /nfs/dbraw/zinc/53/66/39/563536639.db2.gz DAFQTKGCKMXJGD-GFCCVEGCSA-N -1 1 389.249 2.607 20 30 GFEDMM CNC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1F ZINC000507598695 564234535 /nfs/dbraw/zinc/23/45/35/564234535.db2.gz VRFQMJVMGBELCK-UHFFFAOYSA-N -1 1 382.804 2.903 20 30 GFEDMM N#CCc1ccc([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)c(Cl)c1 ZINC000451069272 564270018 /nfs/dbraw/zinc/27/00/18/564270018.db2.gz KVPBPSPMHUEDOI-UHFFFAOYSA-N -1 1 380.857 2.755 20 30 GFEDMM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451226641 564289075 /nfs/dbraw/zinc/28/90/75/564289075.db2.gz JLDUYGVQYONJOA-LKFCYVNXSA-N -1 1 393.278 2.535 20 30 GFEDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H]1CCCCO1 ZINC000451371354 564305684 /nfs/dbraw/zinc/30/56/84/564305684.db2.gz DFFZOELPKLRIQV-RNCFNFMXSA-N -1 1 391.262 2.696 20 30 GFEDMM C=CCCOCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000510051828 564323765 /nfs/dbraw/zinc/32/37/65/564323765.db2.gz ZQIUSSAVNAMQQT-UHFFFAOYSA-N -1 1 382.265 2.651 20 30 GFEDMM CC[C@]([N-]S(=O)(=O)CC1(CC#N)CC1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000451533334 564323835 /nfs/dbraw/zinc/32/38/35/564323835.db2.gz VZPHYHWMUWEHDA-QGZVFWFLSA-N -1 1 384.885 2.732 20 30 GFEDMM C=CCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1Br)C(=O)OCC ZINC000451996883 564378504 /nfs/dbraw/zinc/37/85/04/564378504.db2.gz QKQZGYZRUAJNAJ-CQSZACIVSA-N -1 1 390.299 2.766 20 30 GFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCOC3)n[nH]2)c(Cl)c1 ZINC000519078880 564569210 /nfs/dbraw/zinc/56/92/10/564569210.db2.gz VDNLIZGNFOHIBP-LBPRGKRZSA-N -1 1 380.857 2.824 20 30 GFEDMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000576258474 564710110 /nfs/dbraw/zinc/71/01/10/564710110.db2.gz BAEHDZXGDLDVBU-MRXNPFEDSA-N -1 1 378.837 2.545 20 30 GFEDMM N#Cc1c(Br)cccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000555529455 564796145 /nfs/dbraw/zinc/79/61/45/564796145.db2.gz BLXJKANAXZLWAN-UHFFFAOYSA-N -1 1 399.197 2.959 20 30 GFEDMM C=C(C)C[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000492358273 564801799 /nfs/dbraw/zinc/80/17/99/564801799.db2.gz RCAFGZHLAQKKSU-UHFFFAOYSA-N -1 1 381.635 2.804 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(n3cc(Br)cn3)CC2)c1 ZINC000589180330 565154434 /nfs/dbraw/zinc/15/44/34/565154434.db2.gz ZIENIPAVTPBEDD-UHFFFAOYSA-N -1 1 375.226 2.700 20 30 GFEDMM Cc1cc(C#N)cnc1C(=O)Nc1cc(I)ccc1[O-] ZINC000590316394 565184803 /nfs/dbraw/zinc/18/48/03/565184803.db2.gz RUOPTAXHHGGSOU-UHFFFAOYSA-N -1 1 379.157 2.824 20 30 GFEDMM CCc1[n-][nH]c(=NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c1Br ZINC000619216512 565331743 /nfs/dbraw/zinc/33/17/43/565331743.db2.gz IWFDFCHIVJVXMZ-AWEZNQCLSA-N -1 1 388.269 2.636 20 30 GFEDMM C=CCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccccc1Br ZINC000594844256 565428353 /nfs/dbraw/zinc/42/83/53/565428353.db2.gz UKFPVRRKRDGZKU-ZDUSSCGKSA-N -1 1 376.272 2.549 20 30 GFEDMM O=S(=O)([N-][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1F ZINC000644275682 565469486 /nfs/dbraw/zinc/46/94/86/565469486.db2.gz RDHWODHUIMRFNR-LDYMZIIASA-N -1 1 395.296 2.969 20 30 GFEDMM C=CC(C)(C)CCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000628318827 565783160 /nfs/dbraw/zinc/78/31/60/565783160.db2.gz VVANVLDCTWPFBM-UHFFFAOYSA-N -1 1 379.309 2.990 20 30 GFEDMM N#Cc1sccc1S(=O)(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000651568151 565874103 /nfs/dbraw/zinc/87/41/03/565874103.db2.gz BRHYWMFSFUGTCE-UHFFFAOYSA-N -1 1 376.459 2.609 20 30 GFEDMM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)nc1C ZINC000611024980 566110857 /nfs/dbraw/zinc/11/08/57/566110857.db2.gz YZNHPUHYPBUWMC-UHFFFAOYSA-N -1 1 399.881 2.632 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000737548323 599194898 /nfs/dbraw/zinc/19/48/98/599194898.db2.gz ODSPXBYGBHNCCR-UHFFFAOYSA-N -1 1 384.359 2.554 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000737548323 599194900 /nfs/dbraw/zinc/19/49/00/599194900.db2.gz ODSPXBYGBHNCCR-UHFFFAOYSA-N -1 1 384.359 2.554 20 30 GFEDMM N#Cc1[n-]c(NC(=O)CC2CCC(c3ccccc3)CC2)nc1-c1nn[nH]n1 ZINC000737706457 598513381 /nfs/dbraw/zinc/51/33/81/598513381.db2.gz XSZYNLBDCPGBFF-UHFFFAOYSA-N -1 1 376.424 2.764 20 30 GFEDMM N#Cc1cc(F)ccc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000737705054 598721379 /nfs/dbraw/zinc/72/13/79/598721379.db2.gz MHKGBHFSLRTFHD-UHFFFAOYSA-N -1 1 380.770 2.894 20 30 GFEDMM C=CCN=c1scc(-c2cc(C)[nH]c2C)n1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000735428193 599322876 /nfs/dbraw/zinc/32/28/76/599322876.db2.gz IGOCZISGTRMNAK-UHFFFAOYSA-N -1 1 394.464 2.904 20 30 GFEDMM C=CCN=c1scc(-c2cc(C)[nH]c2C)n1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000735428193 599322879 /nfs/dbraw/zinc/32/28/79/599322879.db2.gz IGOCZISGTRMNAK-UHFFFAOYSA-N -1 1 394.464 2.904 20 30 GFEDMM N#Cc1ccc(N2CCC(Nc3cc(-c4nnn[n-]4)nc4ccccc43)CC2)nc1 ZINC000822829980 599522622 /nfs/dbraw/zinc/52/26/22/599522622.db2.gz RTJUHZULPFVKPV-UHFFFAOYSA-N -1 1 397.446 2.762 20 30 GFEDMM N#Cc1ccc(N2CCC(Nc3cc(-c4nn[n-]n4)nc4ccccc43)CC2)nc1 ZINC000822829980 599522625 /nfs/dbraw/zinc/52/26/25/599522625.db2.gz RTJUHZULPFVKPV-UHFFFAOYSA-N -1 1 397.446 2.762 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc3ccc(Cl)cn23)o1 ZINC000735657046 599534733 /nfs/dbraw/zinc/53/47/33/599534733.db2.gz NHMHPCQVDQNELA-UHFFFAOYSA-N -1 1 385.819 2.899 20 30 GFEDMM COc1ccc(OC)c(CN2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738047690 600562435 /nfs/dbraw/zinc/56/24/35/600562435.db2.gz IZWOYHWXBLFSLE-OAQYLSRUSA-N -1 1 395.459 2.519 20 30 GFEDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000827369113 601134786 /nfs/dbraw/zinc/13/47/86/601134786.db2.gz OMGHFJBJWYSLNV-NSHDSACASA-N -1 1 384.358 2.590 20 30 GFEDMM O=C([O-])c1ccc(C=NNc2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 ZINC000833312389 601396619 /nfs/dbraw/zinc/39/66/19/601396619.db2.gz OYECCLJJNABPGU-UHFFFAOYSA-N -1 1 392.418 2.681 20 30 GFEDMM C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@](F)(C(=O)[O-])C3)sc2C1 ZINC000828310837 601553907 /nfs/dbraw/zinc/55/39/07/601553907.db2.gz PIBYAUSCEJCZDG-BBATYDOGSA-N -1 1 379.457 2.572 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000740129354 601851030 /nfs/dbraw/zinc/85/10/30/601851030.db2.gz BZYQBVINCUQYQE-ZWKOTPCHSA-N -1 1 386.496 2.952 20 30 GFEDMM CN(CC(=O)Nc1ccccc1SCC#N)C1CCC(NC(=O)[O-])CC1 ZINC000828120322 603835462 /nfs/dbraw/zinc/83/54/62/603835462.db2.gz JSCHBKNCXKIIEF-UHFFFAOYSA-N -1 1 376.482 2.751 20 30 GFEDMM C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCN1CCC(=O)[O-] ZINC000833619148 605258343 /nfs/dbraw/zinc/25/83/43/605258343.db2.gz ATHOIJBKEMHQCC-MRXNPFEDSA-N -1 1 393.443 2.972 20 30 GFEDMM Cc1cc(C)n(N=Cc2cnc(-c3cccs3)s2)c(=O)c1-c1nn[n-]n1 ZINC000822199081 606339555 /nfs/dbraw/zinc/33/95/55/606339555.db2.gz VXWVWJINWVSXDK-UHFFFAOYSA-N -1 1 383.462 2.712 20 30 GFEDMM CCOC(=O)c1[nH]c2c(c1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC000821337423 606388970 /nfs/dbraw/zinc/38/89/70/606388970.db2.gz GLNKWXQBOZAYSA-NTMALXAHSA-N -1 1 383.433 2.954 20 30 GFEDMM Cc1sc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1-c1ccc(F)cc1 ZINC000822553894 606694281 /nfs/dbraw/zinc/69/42/81/606694281.db2.gz SNEPBIXVCMJUAU-UHFFFAOYSA-N -1 1 394.395 2.890 20 30 GFEDMM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nn[n-]n4)s3)C2=O)s1 ZINC000822825422 607098632 /nfs/dbraw/zinc/09/86/32/607098632.db2.gz FGAALPWCAGNKPV-IEESQIRDSA-N -1 1 381.442 2.928 20 30 GFEDMM Cc1cc(C)n(N=Cc2ccc(-c3ccncc3)cc2F)c(=O)c1-c1nn[n-]n1 ZINC000826265795 607782469 /nfs/dbraw/zinc/78/24/69/607782469.db2.gz NKIFQXZURDBSAB-UHFFFAOYSA-N -1 1 389.394 2.729 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3c2c(Br)ccc3F)o1 ZINC000826322946 607965144 /nfs/dbraw/zinc/96/51/44/607965144.db2.gz INJLUAUMGBDIKK-UHFFFAOYSA-N -1 1 392.192 2.827 20 30 GFEDMM N#Cc1cc([N-]C(=O)c2sccc2-c2nn[nH]n2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384193 608163525 /nfs/dbraw/zinc/16/35/25/608163525.db2.gz KSDNMKWFGBWCJU-UHFFFAOYSA-N -1 1 375.757 2.614 20 30 GFEDMM C=C(CC)COC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000823878415 608317880 /nfs/dbraw/zinc/31/78/80/608317880.db2.gz YGEVGTARWCJSAT-UHFFFAOYSA-N -1 1 398.423 2.841 20 30 GFEDMM C=CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1cccc(Cl)c1 ZINC000823937435 608434128 /nfs/dbraw/zinc/43/41/28/608434128.db2.gz XSURJUOOGDGATK-UHFFFAOYSA-N -1 1 397.855 2.906 20 30 GFEDMM C=CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1cccc(Cl)c1 ZINC000823937435 608434130 /nfs/dbraw/zinc/43/41/30/608434130.db2.gz XSURJUOOGDGATK-UHFFFAOYSA-N -1 1 397.855 2.906 20 30 GFEDMM C=CCCOCCCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823899002 609291571 /nfs/dbraw/zinc/29/15/71/609291571.db2.gz HNKLNEZFOAJNTG-UHFFFAOYSA-N -1 1 399.430 2.893 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc(Br)n2)o1 ZINC000824353089 609303700 /nfs/dbraw/zinc/30/37/00/609303700.db2.gz XNLMTDWNQDHCKX-UHFFFAOYSA-N -1 1 377.206 2.582 20 30 GFEDMM C=C(CC)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000832633748 660790999 /nfs/dbraw/zinc/79/09/99/660790999.db2.gz GRTJCLLGBLSSTO-UHFFFAOYSA-N -1 1 380.235 2.619 20 30 GFEDMM CNS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)cc1 ZINC000255638729 655439985 /nfs/dbraw/zinc/43/99/85/655439985.db2.gz MUZGCLKNRHMAPP-WAPJZHGLSA-N -1 1 396.262 2.959 20 30 GFEDMM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1O ZINC000579331398 655498134 /nfs/dbraw/zinc/49/81/34/655498134.db2.gz CNVCVBQFOUHAIT-HIFRSBDPSA-N -1 1 398.893 2.825 20 30 GFEDMM O=c1nc(NN=Cc2ccc(-c3ccc(Br)cc3)o2)nc2[nH][n-]cc1-2 ZINC000731155021 655582028 /nfs/dbraw/zinc/58/20/28/655582028.db2.gz NVXOZYGFKAXCPC-UHFFFAOYSA-N -1 1 399.208 2.901 20 30 GFEDMM O=c1cn[n-]c(=S)n1N=Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000766483195 656172742 /nfs/dbraw/zinc/17/27/42/656172742.db2.gz DMZSEQJYSMSFHC-UHFFFAOYSA-N -1 1 379.161 2.591 20 30 GFEDMM N#CC1(CS(=O)(=O)[N-]CC(=O)OCc2ccc(Cl)cc2)CCCCC1 ZINC000772945271 656395088 /nfs/dbraw/zinc/39/50/88/656395088.db2.gz CNPRLAVNXXGWDL-UHFFFAOYSA-N -1 1 384.885 2.777 20 30 GFEDMM Cc1cc(=O)[n-]c(NN=C2C(=O)Nc3ccc(Br)c(Cl)c32)n1 ZINC000788016914 657633631 /nfs/dbraw/zinc/63/36/31/657633631.db2.gz OFVPEGQGFLPYAV-UHFFFAOYSA-N -1 1 382.605 2.675 20 30 GFEDMM C=CCCCCCCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000805103977 659740054 /nfs/dbraw/zinc/74/00/54/659740054.db2.gz HMUWPGZCRHZCMN-UHFFFAOYSA-N -1 1 378.491 2.612 20 30 GFEDMM C#C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C ZINC000805147454 659751158 /nfs/dbraw/zinc/75/11/58/659751158.db2.gz YDPLLURMECPSQB-LBPRGKRZSA-N -1 1 375.244 2.684 20 30 GFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)(C)C ZINC000805147073 659751286 /nfs/dbraw/zinc/75/12/86/659751286.db2.gz RAIDNGGLGNRUIP-GFCCVEGCSA-N -1 1 375.244 2.684 20 30 GFEDMM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000849412646 661718945 /nfs/dbraw/zinc/71/89/45/661718945.db2.gz UNXFQMNJSJULCR-VXGBXAGGSA-N -1 1 376.320 2.904 20 30 GFEDMM C[S@@](=O)(=NS(=O)(=O)[N-][C@H]1CCc2cc(C#N)ccc21)C1CCCCC1 ZINC000882135865 663017911 /nfs/dbraw/zinc/01/79/11/663017911.db2.gz INZUPPHNHKWFAN-XDHUDOTRSA-N -1 1 381.523 2.810 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)c1F ZINC000903130416 663775281 /nfs/dbraw/zinc/77/52/81/663775281.db2.gz VJLBDORTXFXWDZ-CYBMUJFWSA-N -1 1 377.235 2.567 20 30 GFEDMM CCCC(=O)C1=C(C(=O)OCC)NC(=S)N[C@H]1c1ccc([O-])c(Cl)c1 ZINC000921297900 664540600 /nfs/dbraw/zinc/54/06/00/664540600.db2.gz HVQRRXPMBDBCAP-AWEZNQCLSA-N -1 1 382.869 2.751 20 30 GFEDMM C=CCC1(O)CCN(C(=O)c2ccc(I)cc2[O-])CC1 ZINC000924428294 664655197 /nfs/dbraw/zinc/65/51/97/664655197.db2.gz QPUIREMDZPSPSO-UHFFFAOYSA-N -1 1 387.217 2.540 20 30 GFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(I)cc2)cc1 ZINC000033761155 551134061 /nfs/dbraw/zinc/13/40/61/551134061.db2.gz OGGIRUFWTXJCAY-UHFFFAOYSA-N -1 1 384.198 2.964 20 30 GFEDMM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000121768181 551242432 /nfs/dbraw/zinc/24/24/32/551242432.db2.gz XUGQKROTSQVIHP-NSHDSACASA-N -1 1 376.232 2.574 20 30 GFEDMM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cccs1 ZINC000156323609 551519757 /nfs/dbraw/zinc/51/97/57/551519757.db2.gz FEPYPNNNUMAXNK-LBPRGKRZSA-N -1 1 384.866 2.856 20 30 GFEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000192129556 552552272 /nfs/dbraw/zinc/55/22/72/552552272.db2.gz CFLYWHJSGBREJN-GFCCVEGCSA-N -1 1 382.438 2.621 20 30 GFEDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)(C)O ZINC000451461213 564315882 /nfs/dbraw/zinc/31/58/82/564315882.db2.gz PTCXBCAJLNUSMH-ZDUSSCGKSA-N -1 1 393.278 2.534 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)cc1Br ZINC000452021087 564383140 /nfs/dbraw/zinc/38/31/40/564383140.db2.gz HVOYMRJDGYVTEJ-SNVBAGLBSA-N -1 1 391.262 2.555 20 30 GFEDMM Cc1ncc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cc1C#N ZINC000427351877 563466346 /nfs/dbraw/zinc/46/63/46/563466346.db2.gz IRHNGOFZJWHAEE-UHFFFAOYSA-N -1 1 375.303 2.942 20 30 GFEDMM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(=O)NCCC(F)(F)F ZINC000411268584 563613032 /nfs/dbraw/zinc/61/30/32/563613032.db2.gz MXQIEWASJXZEHG-VIFPVBQESA-N -1 1 378.219 2.753 20 30 GFEDMM N#Cc1ccc(F)c(CNC(=O)c2cc(I)ccc2[O-])c1 ZINC000436966208 563686870 /nfs/dbraw/zinc/68/68/70/563686870.db2.gz LIIJVVYHZBPSTF-UHFFFAOYSA-N -1 1 396.159 2.938 20 30 GFEDMM N#Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1Cl ZINC000471108533 564185239 /nfs/dbraw/zinc/18/52/39/564185239.db2.gz OHDCUNCEDXZLHV-UHFFFAOYSA-N -1 1 381.753 2.619 20 30 GFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1Br ZINC000508125933 564255647 /nfs/dbraw/zinc/25/56/47/564255647.db2.gz BMKVEKWQVKIFMI-UHFFFAOYSA-N -1 1 381.207 2.850 20 30 GFEDMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1NC(N)=O ZINC000474311617 564274199 /nfs/dbraw/zinc/27/41/99/564274199.db2.gz ZKSYRBRWFIZIIY-UHFFFAOYSA-N -1 1 380.813 2.512 20 30 GFEDMM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1C ZINC000479284930 564434453 /nfs/dbraw/zinc/43/44/53/564434453.db2.gz PTOLCDQAUFKUQT-UHFFFAOYSA-N -1 1 378.475 2.688 20 30 GFEDMM C=CCn1c(SCc2nn[n-]n2)nnc1-c1ccc(Br)cc1 ZINC000497370822 564865221 /nfs/dbraw/zinc/86/52/21/564865221.db2.gz ZGOVERNPTYAWSH-UHFFFAOYSA-N -1 1 378.259 2.699 20 30 GFEDMM C=CCc1cc(C(=O)N=c2[nH][n-]c(C)c2Br)cc(OC)c1OC ZINC000616013102 565186305 /nfs/dbraw/zinc/18/63/05/565186305.db2.gz QXGMURAJZYIYLM-UHFFFAOYSA-N -1 1 380.242 2.901 20 30 GFEDMM COC(=O)C(C)(C)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593569604 565342329 /nfs/dbraw/zinc/34/23/29/565342329.db2.gz YCVYSVIBPLLWDH-OAHLLOKOSA-N -1 1 378.475 2.839 20 30 GFEDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC)C(F)(F)F ZINC000593589454 565344972 /nfs/dbraw/zinc/34/49/72/565344972.db2.gz UEIUFOGRTBKULW-NOZJJQNGSA-N -1 1 378.372 2.600 20 30 GFEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N)[C@@H]1CCOC1 ZINC000594694303 565407311 /nfs/dbraw/zinc/40/73/11/565407311.db2.gz ILXLRSRZGSBUBN-SQWLQELKSA-N -1 1 384.523 2.732 20 30 GFEDMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)O1 ZINC000594851940 565429475 /nfs/dbraw/zinc/42/94/75/565429475.db2.gz NFAAFYHEAVYHIO-KOLCDFICSA-N -1 1 391.262 2.696 20 30 GFEDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1(F)F ZINC000594859375 565431591 /nfs/dbraw/zinc/43/15/91/565431591.db2.gz ZSXDAIZRAAYOGY-LLVKDONJSA-N -1 1 383.189 2.783 20 30 GFEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1NC(C)=O ZINC000603779033 565915972 /nfs/dbraw/zinc/91/59/72/565915972.db2.gz PAYIOMPWIKEGBZ-UHFFFAOYSA-N -1 1 379.825 2.979 20 30 GFEDMM C[C@@H](C#N)CN(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735505249 598907373 /nfs/dbraw/zinc/90/73/73/598907373.db2.gz PTCGAECTLXICRI-LBPRGKRZSA-N -1 1 381.465 2.896 20 30 GFEDMM CC(=CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000819764563 599313004 /nfs/dbraw/zinc/31/30/04/599313004.db2.gz JRDPQDABZFEQJX-YVMONPNESA-N -1 1 388.313 2.522 20 30 GFEDMM N#Cc1ccccc1NC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739146376 600144884 /nfs/dbraw/zinc/14/48/84/600144884.db2.gz CHWMNNKYLLLQOX-UHFFFAOYSA-N -1 1 387.823 2.833 20 30 GFEDMM N#Cc1ccccc1NC(=O)CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739146376 600144887 /nfs/dbraw/zinc/14/48/87/600144887.db2.gz CHWMNNKYLLLQOX-UHFFFAOYSA-N -1 1 387.823 2.833 20 30 GFEDMM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)C[C@H](C)C(=O)[O-])c1C#N ZINC000738254456 600366812 /nfs/dbraw/zinc/36/68/12/600366812.db2.gz VYPGNSFDWLVVOL-AWEZNQCLSA-N -1 1 382.464 2.616 20 30 GFEDMM Cc1cc(S(=O)(=O)Nc2cc(C#N)ccc2OC(F)F)ccc1C(=O)[O-] ZINC000506614022 600892525 /nfs/dbraw/zinc/89/25/25/600892525.db2.gz SWXHGCOONLNSQC-UHFFFAOYSA-N -1 1 382.344 2.967 20 30 GFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000736075782 600899248 /nfs/dbraw/zinc/89/92/48/600899248.db2.gz HMXYLAKFQVXYGA-UHFFFAOYSA-N -1 1 383.784 2.990 20 30 GFEDMM CCC(CC)(CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000424407048 605097563 /nfs/dbraw/zinc/09/75/63/605097563.db2.gz BGMZTIFGJYACFW-UHFFFAOYSA-N -1 1 386.496 2.667 20 30 GFEDMM N#Cc1cccc(NC(=O)C2CCN(Cc3ccc(NC(=O)[O-])nc3)CC2)c1 ZINC000833977264 605579619 /nfs/dbraw/zinc/57/96/19/605579619.db2.gz WVEUQKHTTJFZPW-UHFFFAOYSA-N -1 1 379.420 2.894 20 30 GFEDMM COc1cc(CN2CC[C@H](NC(=O)[O-])C2)ccc1OCc1cccc(C#N)c1 ZINC000739861146 605934024 /nfs/dbraw/zinc/93/40/24/605934024.db2.gz ULBFDOQAPQMEBJ-SFHVURJKSA-N -1 1 381.432 2.988 20 30 GFEDMM CCOc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821431299 606368694 /nfs/dbraw/zinc/36/86/94/606368694.db2.gz OVCYOTVYCHYULI-UHFFFAOYSA-N -1 1 398.477 2.756 20 30 GFEDMM C#CCOCCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000823856131 608133446 /nfs/dbraw/zinc/13/34/46/608133446.db2.gz KFYWYILSETUXBF-UHFFFAOYSA-N -1 1 397.822 2.692 20 30 GFEDMM Cc1c(C(=O)[O-])oc2c1C(N=Nc1cc(-c3nn[nH]n3)cc(Cl)n1)CCC2 ZINC000826235006 608539118 /nfs/dbraw/zinc/53/91/18/608539118.db2.gz ZBAAHMGEGHUHBU-UHFFFAOYSA-N -1 1 387.787 2.667 20 30 GFEDMM N#Cc1ncn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1-c1nn[n-]n1 ZINC000826388364 660454250 /nfs/dbraw/zinc/45/42/50/660454250.db2.gz UYFQOKHLFQPADC-UHFFFAOYSA-N -1 1 397.613 2.534 20 30 GFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000271225999 655071519 /nfs/dbraw/zinc/07/15/19/655071519.db2.gz RBHSCFYTIVDMBJ-LURJTMIESA-N -1 1 395.662 2.780 20 30 GFEDMM C=CCNC(=S)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000727703617 655548813 /nfs/dbraw/zinc/54/88/13/655548813.db2.gz KGYKCUWJKMSPIG-UHFFFAOYSA-N -1 1 375.519 2.980 20 30 GFEDMM C#CCC[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000733321096 655612656 /nfs/dbraw/zinc/61/26/56/655612656.db2.gz MGMSLHIKRGHOEM-UHFFFAOYSA-N -1 1 385.052 2.652 20 30 GFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000734118020 655626727 /nfs/dbraw/zinc/62/67/27/655626727.db2.gz BLOKOGXSBMHSJR-UHFFFAOYSA-N -1 1 399.881 2.692 20 30 GFEDMM O=C1Nc2c(cc(Br)cc2Cl)C1=N[N-]c1ncnc2[nH]cnc21 ZINC000735613966 655649705 /nfs/dbraw/zinc/64/97/05/655649705.db2.gz NQMVUCSCFYFIHV-UHFFFAOYSA-N -1 1 392.604 2.537 20 30 GFEDMM COc1ccc(Cl)cc1C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000746492377 655762629 /nfs/dbraw/zinc/76/26/29/655762629.db2.gz RJRSKGFCAYDABQ-UHFFFAOYSA-N -1 1 383.813 2.710 20 30 GFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(Br)c(F)c2)c2ccccc21 ZINC000763166278 656074191 /nfs/dbraw/zinc/07/41/91/656074191.db2.gz KJWUXDBFZRKBCJ-UHFFFAOYSA-N -1 1 382.214 2.661 20 30 GFEDMM O=C1Nc2c(cccc2I)C1=N[N-]c1ncncc1Cl ZINC000780275774 656995134 /nfs/dbraw/zinc/99/51/34/656995134.db2.gz UWDUCFXDKDWEEJ-UHFFFAOYSA-N -1 1 399.579 2.503 20 30 GFEDMM N#Cc1cccnc1NCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000788886445 657793162 /nfs/dbraw/zinc/79/31/62/657793162.db2.gz SHVQMQKCKANISS-UHFFFAOYSA-N -1 1 389.239 2.790 20 30 GFEDMM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795953893 658876861 /nfs/dbraw/zinc/87/68/61/658876861.db2.gz CERSWDSMPBPZJZ-MRVPVSSYSA-N -1 1 379.207 2.577 20 30 GFEDMM C=CCOc1c(Br)cc(CNC[C@H](F)C(=O)[O-])cc1OCC ZINC000904043114 663819297 /nfs/dbraw/zinc/81/92/97/663819297.db2.gz PPMKEHLQMGNDAT-LBPRGKRZSA-N -1 1 376.222 2.925 20 30 GFEDMM CN(C)Cc1csc(C[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)n1 ZINC000907411882 664032439 /nfs/dbraw/zinc/03/24/39/664032439.db2.gz MWDSSADKTXMWCZ-UHFFFAOYSA-N -1 1 392.531 2.770 20 30 GFEDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000193985496 553008875 /nfs/dbraw/zinc/00/88/75/553008875.db2.gz DENUTOKVHDFOOS-MRXNPFEDSA-N -1 1 378.837 2.794 20 30 GFEDMM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000295815478 563263905 /nfs/dbraw/zinc/26/39/05/563263905.db2.gz UKHURJWICLUMJR-ONGXEEELSA-N -1 1 386.246 2.821 20 30 GFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nnc(-c2cccc(F)c2)s1 ZINC000376315374 563437532 /nfs/dbraw/zinc/43/75/32/563437532.db2.gz GBEDONVJTSXJHH-SECBINFHSA-N -1 1 378.410 2.848 20 30 GFEDMM Cc1ncc(S(=O)(=O)Nc2ccc(S[C@H](C)C(=O)[O-])cc2)cc1C#N ZINC000427303401 563464678 /nfs/dbraw/zinc/46/46/78/563464678.db2.gz ZVDIGXQQTHAJIR-LLVKDONJSA-N -1 1 377.447 2.628 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)cc1Br ZINC000432769889 563592154 /nfs/dbraw/zinc/59/21/54/563592154.db2.gz DSHCQCJKAGQOQR-UHFFFAOYSA-N -1 1 377.223 2.998 20 30 GFEDMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432783015 563594024 /nfs/dbraw/zinc/59/40/24/563594024.db2.gz ZWSUYJNVOVQSJA-NRFANRHFSA-N -1 1 399.291 2.859 20 30 GFEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(OC)c1 ZINC000442816215 563780307 /nfs/dbraw/zinc/78/03/07/563780307.db2.gz DNGULEJBPDAKNJ-UHFFFAOYSA-N -1 1 380.809 2.808 20 30 GFEDMM Cc1sc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)nc1C(C)C ZINC000443072502 563790364 /nfs/dbraw/zinc/79/03/64/563790364.db2.gz RUOPXPVNEKTFLT-UHFFFAOYSA-N -1 1 380.451 2.833 20 30 GFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(-c2cccc(F)c2)no1 ZINC000366626058 563816218 /nfs/dbraw/zinc/81/62/18/563816218.db2.gz VECOEIRFCZEZOY-VIFPVBQESA-N -1 1 378.410 2.848 20 30 GFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000416968595 563864890 /nfs/dbraw/zinc/86/48/90/563864890.db2.gz YWYLIXDOZIKNFW-LBPRGKRZSA-N -1 1 375.372 2.572 20 30 GFEDMM C[C@@H]1CCCN(S(=O)(=O)[N-]c2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000541126457 564267158 /nfs/dbraw/zinc/26/71/58/564267158.db2.gz SJCROLQNNUPMQG-GFCCVEGCSA-N -1 1 379.873 2.786 20 30 GFEDMM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000452058878 564387584 /nfs/dbraw/zinc/38/75/84/564387584.db2.gz AQXWKIADBFIKKE-CHWSQXEVSA-N -1 1 391.262 2.696 20 30 GFEDMM O=C(NCC#Cc1ccccc1)c1ccc(I)c([O-])c1 ZINC000546169600 564447929 /nfs/dbraw/zinc/44/79/29/564447929.db2.gz CIZADCHMDHRGOV-UHFFFAOYSA-N -1 1 377.181 2.778 20 30 GFEDMM Cc1nc([C@@H]([N-]S(=O)(=O)CC2(C#N)CCC2)c2ccc(Cl)cc2)no1 ZINC000554900351 564776536 /nfs/dbraw/zinc/77/65/36/564776536.db2.gz YDSNXQITNIJWPJ-AWEZNQCLSA-N -1 1 380.857 2.734 20 30 GFEDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@H](C)O1 ZINC000581351709 564798439 /nfs/dbraw/zinc/79/84/39/564798439.db2.gz UGCBLVNKCMJBRQ-DOFRTFSJSA-N -1 1 391.262 2.694 20 30 GFEDMM C[C@@H](Cc1ccc(F)c(Br)c1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557839554 564880913 /nfs/dbraw/zinc/88/09/13/564880913.db2.gz KOPZTOPYEMJHHC-VIFPVBQESA-N -1 1 387.230 2.962 20 30 GFEDMM CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H](O)C(F)(F)F ZINC000497982919 564883156 /nfs/dbraw/zinc/88/31/56/564883156.db2.gz LNMWCEWMJYWVLI-WCBMZHEXSA-N -1 1 383.285 2.825 20 30 GFEDMM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000583655790 564901368 /nfs/dbraw/zinc/90/13/68/564901368.db2.gz SFCUMJQMALFBOU-UHFFFAOYSA-N -1 1 382.438 2.682 20 30 GFEDMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(Cl)c3)cc2oc1=O ZINC000467016310 564952710 /nfs/dbraw/zinc/95/27/10/564952710.db2.gz VMDHSSGIBWCGHX-UHFFFAOYSA-N -1 1 377.809 2.940 20 30 GFEDMM CCc1cnc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)s1 ZINC000561520067 564998690 /nfs/dbraw/zinc/99/86/90/564998690.db2.gz WSKJWHMAYVQULJ-UHFFFAOYSA-N -1 1 386.296 2.818 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000590456619 565189187 /nfs/dbraw/zinc/18/91/87/565189187.db2.gz RHUNQBUCRRXOCO-HNNXBMFYSA-N -1 1 379.185 2.629 20 30 GFEDMM O=C(CCC(F)(F)F)[N-][C@@H](CNC(=O)CCC(F)(F)F)C(F)(F)F ZINC000612462712 566164001 /nfs/dbraw/zinc/16/40/01/566164001.db2.gz BZHUUFWLPHTNSN-LURJTMIESA-N -1 1 376.219 2.835 20 30 GFEDMM C#Cc1cccc(N(CC)S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735391389 598866403 /nfs/dbraw/zinc/86/64/03/598866403.db2.gz ROTBNSUWTBXNIK-UHFFFAOYSA-N -1 1 387.852 2.717 20 30 GFEDMM C#Cc1cccc(N(CC)S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735391389 598866404 /nfs/dbraw/zinc/86/64/04/598866404.db2.gz ROTBNSUWTBXNIK-UHFFFAOYSA-N -1 1 387.852 2.717 20 30 GFEDMM N#CCN(CC#N)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000737691991 599200918 /nfs/dbraw/zinc/20/09/18/599200918.db2.gz AEJJUNLIMPOBDN-UHFFFAOYSA-N -1 1 393.794 2.802 20 30 GFEDMM S=C1N=NC(SCc2ccccc2)N1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000823738728 599336484 /nfs/dbraw/zinc/33/64/84/599336484.db2.gz ZWTOOMJHZBZCIH-UHFFFAOYSA-N -1 1 384.450 2.514 20 30 GFEDMM S=C1N=NC(SCc2ccccc2)N1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000823738728 599336486 /nfs/dbraw/zinc/33/64/86/599336486.db2.gz ZWTOOMJHZBZCIH-UHFFFAOYSA-N -1 1 384.450 2.514 20 30 GFEDMM C#CCN1CCC(C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)[O-])CC1 ZINC000736078613 600607278 /nfs/dbraw/zinc/60/72/78/600607278.db2.gz CHEMBZPHADZYTE-UHFFFAOYSA-N -1 1 397.302 2.794 20 30 GFEDMM C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000264498882 600815740 /nfs/dbraw/zinc/81/57/40/600815740.db2.gz KRONPDCYWQMKAV-NSHDSACASA-N -1 1 379.463 2.918 20 30 GFEDMM Cc1cc(N2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)nc(C(C)C)n1 ZINC000832891016 601310272 /nfs/dbraw/zinc/31/02/72/601310272.db2.gz ICCONNPJJQLEJY-LJQANCHMSA-N -1 1 379.464 2.728 20 30 GFEDMM COc1ccc(CN2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1F ZINC000832313861 601310305 /nfs/dbraw/zinc/31/03/05/601310305.db2.gz DLTNWERTZKDFBO-HXUWFJFHSA-N -1 1 383.423 2.649 20 30 GFEDMM N#Cc1cc(F)c(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000833068994 601740942 /nfs/dbraw/zinc/74/09/42/601740942.db2.gz RGUBEFJMASIHIP-OAQYLSRUSA-N -1 1 399.397 2.686 20 30 GFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000823963255 607530030 /nfs/dbraw/zinc/53/00/30/607530030.db2.gz ZQCIJHPAIIIPEE-UHFFFAOYSA-N -1 1 386.372 2.602 20 30 GFEDMM C=CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccoc1C ZINC000823937447 607537262 /nfs/dbraw/zinc/53/72/62/607537262.db2.gz YDDYOIFKYUWONT-UHFFFAOYSA-N -1 1 380.437 2.900 20 30 GFEDMM C=CCn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccoc1C ZINC000823937447 607537264 /nfs/dbraw/zinc/53/72/64/607537264.db2.gz YDDYOIFKYUWONT-UHFFFAOYSA-N -1 1 380.437 2.900 20 30 GFEDMM N#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833067965 602119769 /nfs/dbraw/zinc/11/97/69/602119769.db2.gz LNUGLRDTHLEWKA-UHFFFAOYSA-N -1 1 384.772 2.880 20 30 GFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000740066955 602531089 /nfs/dbraw/zinc/53/10/89/602531089.db2.gz OPLBIPDLUZUQOY-ROUUACIJSA-N -1 1 386.496 2.870 20 30 GFEDMM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1nnc2n1CCCCC2 ZINC000740303959 602670662 /nfs/dbraw/zinc/67/06/62/602670662.db2.gz OEZBGRCQUDIQAD-HOTGVXAUSA-N -1 1 381.436 2.970 20 30 GFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000740067421 602770258 /nfs/dbraw/zinc/77/02/58/602770258.db2.gz RASICCDSJSKXGL-AOIWGVFYSA-N -1 1 386.496 2.917 20 30 GFEDMM COc1ccc(-c2nc(SC[C@@H]3CCN(C(=O)[O-])C3)[nH]c(=O)c2C#N)cc1 ZINC000739884378 603372570 /nfs/dbraw/zinc/37/25/70/603372570.db2.gz SGTQRZBEXLGAON-LLVKDONJSA-N -1 1 386.433 2.821 20 30 GFEDMM N#Cc1ccc(CN2CCCN(C(=O)CN(C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000831126936 605247433 /nfs/dbraw/zinc/24/74/33/605247433.db2.gz XAFHAJMUMQCMHQ-UHFFFAOYSA-N -1 1 392.459 2.777 20 30 GFEDMM NC(=NOCc1cccc(NC(=O)[O-])c1)c1ccc(N2CCC(O)CC2)cc1 ZINC000833981240 605993444 /nfs/dbraw/zinc/99/34/44/605993444.db2.gz STWOMNRJCOUWAZ-UHFFFAOYSA-N -1 1 384.436 2.575 20 30 GFEDMM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000819740057 606532287 /nfs/dbraw/zinc/53/22/87/606532287.db2.gz MWWWLEKQKBAYRH-UHFFFAOYSA-N -1 1 394.460 2.995 20 30 GFEDMM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819740057 606532289 /nfs/dbraw/zinc/53/22/89/606532289.db2.gz MWWWLEKQKBAYRH-UHFFFAOYSA-N -1 1 394.460 2.995 20 30 GFEDMM O=C(NC1CC1)c1cc(F)c(N=NCc2ccc(-c3nn[n-]n3)s2)c(F)c1 ZINC000823144564 606839935 /nfs/dbraw/zinc/83/99/35/606839935.db2.gz ISFXKTITYPTGDT-UHFFFAOYSA-N -1 1 389.391 2.545 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Oc1ccc(C#N)cc1F ZINC000822540481 607248995 /nfs/dbraw/zinc/24/89/95/607248995.db2.gz BMDKEHXUBSHRGB-UHFFFAOYSA-N -1 1 378.323 2.789 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Oc1ccc(C#N)cc1F ZINC000822540481 607248996 /nfs/dbraw/zinc/24/89/96/607248996.db2.gz BMDKEHXUBSHRGB-UHFFFAOYSA-N -1 1 378.323 2.789 20 30 GFEDMM C#CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823838384 607938689 /nfs/dbraw/zinc/93/86/89/607938689.db2.gz OZZSIIDTAYNOLA-HNNXBMFYSA-N -1 1 387.852 2.563 20 30 GFEDMM O=C(C=Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400098 608092934 /nfs/dbraw/zinc/09/29/34/608092934.db2.gz PAQVUSIZYPQSLC-HNQUOIGGSA-N -1 1 392.400 2.943 20 30 GFEDMM O=C(C=Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400098 608092935 /nfs/dbraw/zinc/09/29/35/608092935.db2.gz PAQVUSIZYPQSLC-HNQUOIGGSA-N -1 1 392.400 2.943 20 30 GFEDMM N#Cc1csc(C(=O)[N-]c2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826387741 608163428 /nfs/dbraw/zinc/16/34/28/608163428.db2.gz OHCQASFIJPUPBF-UHFFFAOYSA-N -1 1 375.757 2.614 20 30 GFEDMM N#Cc1cccc(-c2c[nH]c(CNc3snc(Cl)c3-c3nnn[n-]3)n2)c1 ZINC000826386803 608410535 /nfs/dbraw/zinc/41/05/35/608410535.db2.gz SZRIFULSAUOABA-UHFFFAOYSA-N -1 1 383.828 2.850 20 30 GFEDMM N#Cc1cccc(-c2c[nH]c(CNc3snc(Cl)c3-c3nn[n-]n3)n2)c1 ZINC000826386803 608410537 /nfs/dbraw/zinc/41/05/37/608410537.db2.gz SZRIFULSAUOABA-UHFFFAOYSA-N -1 1 383.828 2.850 20 30 GFEDMM N#Cc1cccc(-c2c[nH]c(CNc3c4ccccc4nnc3-c3nnn[n-]3)n2)c1 ZINC000826386875 608411048 /nfs/dbraw/zinc/41/10/48/608411048.db2.gz WHOYJNWHNBXZDY-UHFFFAOYSA-N -1 1 394.402 2.684 20 30 GFEDMM N#Cc1cccc(-c2c[nH]c(CNc3c4ccccc4nnc3-c3nn[n-]n3)n2)c1 ZINC000826386875 608411049 /nfs/dbraw/zinc/41/10/49/608411049.db2.gz WHOYJNWHNBXZDY-UHFFFAOYSA-N -1 1 394.402 2.684 20 30 GFEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)OCC1(C#N)CCCCC1 ZINC000826233172 609153080 /nfs/dbraw/zinc/15/30/80/609153080.db2.gz WPRUKTIBXKTTBL-UHFFFAOYSA-N -1 1 384.440 2.534 20 30 GFEDMM C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823909421 609449625 /nfs/dbraw/zinc/44/96/25/609449625.db2.gz CVXHEXLXLZHAID-UHFFFAOYSA-N -1 1 393.856 2.533 20 30 GFEDMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C2CC2)s1 ZINC000122293972 654732624 /nfs/dbraw/zinc/73/26/24/654732624.db2.gz ZICZRGHLHPWBSN-AWEZNQCLSA-N -1 1 378.435 2.661 20 30 GFEDMM CNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)cc1 ZINC000120699474 655342577 /nfs/dbraw/zinc/34/25/77/655342577.db2.gz MUZGCLKNRHMAPP-KRXBUXKQSA-N -1 1 396.262 2.959 20 30 GFEDMM C#CCO[C@@H](C)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000299096040 655374524 /nfs/dbraw/zinc/37/45/24/655374524.db2.gz VORPMQDJELEPBR-ZETCQYMHSA-N -1 1 377.032 2.894 20 30 GFEDMM CNS(=O)(=O)c1ccc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)o1 ZINC000264493045 655465009 /nfs/dbraw/zinc/46/50/09/655465009.db2.gz TUPLMVCSUJXBAW-LLVKDONJSA-N -1 1 379.463 2.692 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cc(Br)cs1 ZINC000748255444 655789074 /nfs/dbraw/zinc/78/90/74/655789074.db2.gz UZFRTDOWWXSECU-UHFFFAOYSA-N -1 1 390.240 2.731 20 30 GFEDMM N#CC1([N-]S(=O)(=O)c2cc(Br)sc2Br)CC1 ZINC000755444081 655883479 /nfs/dbraw/zinc/88/34/79/655883479.db2.gz QKCKSOVXKMQTIS-UHFFFAOYSA-N -1 1 386.090 2.608 20 30 GFEDMM N#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000760360770 655977103 /nfs/dbraw/zinc/97/71/03/655977103.db2.gz FPFPNSMMQOWJMD-UHFFFAOYSA-N -1 1 384.772 2.880 20 30 GFEDMM Cc1ccc(S(=O)(=O)NN=Cc2c([O-])ccc(Cl)c2F)cc1[N+](=O)[O-] ZINC000790141528 657931433 /nfs/dbraw/zinc/93/14/33/657931433.db2.gz LXICPMVAKLAYGQ-UHFFFAOYSA-N -1 1 387.776 2.714 20 30 GFEDMM C=CCC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1 ZINC000849453070 661728184 /nfs/dbraw/zinc/72/81/84/661728184.db2.gz ZKNHMNAXBKCAHG-UHFFFAOYSA-N -1 1 378.809 2.791 20 30 GFEDMM O=S(=O)([N-]C[C@H](O)C(F)(F)C(F)(F)F)c1ccccc1C(F)(F)F ZINC000882780272 663041836 /nfs/dbraw/zinc/04/18/36/663041836.db2.gz YZWQJYRXXBAWIA-QMMMGPOBSA-N -1 1 387.248 2.542 20 30 GFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1cc(C)cc(C)c1 ZINC000914383745 664405062 /nfs/dbraw/zinc/40/50/62/664405062.db2.gz BSGPPOHRGLTXLX-INIZCTEOSA-N -1 1 378.475 2.570 20 30 GFEDMM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000917735366 664489365 /nfs/dbraw/zinc/48/93/65/664489365.db2.gz OLBJVKPBAKDTKT-UHFFFAOYSA-N -1 1 379.825 2.597 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1 ZINC000153973312 551464304 /nfs/dbraw/zinc/46/43/04/551464304.db2.gz BFCMVBBMXSSPSF-UHFFFAOYSA-N -1 1 377.223 2.998 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)cn1 ZINC000180756677 552235118 /nfs/dbraw/zinc/23/51/18/552235118.db2.gz JWAYDXJONUYQPN-ZDUSSCGKSA-N -1 1 377.294 2.813 20 30 GFEDMM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000185116456 552354748 /nfs/dbraw/zinc/35/47/48/552354748.db2.gz UTZXOTNBNRNZRR-SSDOTTSWSA-N -1 1 389.098 2.971 20 30 GFEDMM N#Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1[O-] ZINC000190859541 552511348 /nfs/dbraw/zinc/51/13/48/552511348.db2.gz GTCTYFACOBALRG-UHFFFAOYSA-N -1 1 388.221 2.785 20 30 GFEDMM N#Cc1ccc(CNC(=O)c2cc(I)ccc2[O-])cc1 ZINC000220964404 553055011 /nfs/dbraw/zinc/05/50/11/553055011.db2.gz FKPNXQFEKDTRAG-UHFFFAOYSA-N -1 1 378.169 2.798 20 30 GFEDMM COc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(Br)c1 ZINC000427782729 563475280 /nfs/dbraw/zinc/47/52/80/563475280.db2.gz SNGPRVQNGJAPHP-UHFFFAOYSA-N -1 1 386.202 2.664 20 30 GFEDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccco1 ZINC000433864654 563622032 /nfs/dbraw/zinc/62/20/32/563622032.db2.gz KZCKAYVXVKKJAA-CYBMUJFWSA-N -1 1 385.239 2.580 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)c(Cl)c1 ZINC000436476001 563671324 /nfs/dbraw/zinc/67/13/24/563671324.db2.gz IFSIBEXMVLFLDV-UHFFFAOYSA-N -1 1 377.788 2.937 20 30 GFEDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CS1 ZINC000416599956 563852064 /nfs/dbraw/zinc/85/20/64/563852064.db2.gz VASQRXJFBLLWIF-VXNVDRBHSA-N -1 1 379.276 2.632 20 30 GFEDMM N#Cc1ccc(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)cc1[O-] ZINC000582504560 564849482 /nfs/dbraw/zinc/84/94/82/564849482.db2.gz KDAUAGRLRLTQSC-CQSZACIVSA-N -1 1 379.185 2.629 20 30 GFEDMM COc1cc(Br)ccc1CCC[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557834835 564880899 /nfs/dbraw/zinc/88/08/99/564880899.db2.gz MROCLKDXIODTFP-UHFFFAOYSA-N -1 1 399.266 2.833 20 30 GFEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc([S@](C)=O)cc1 ZINC000534408219 564988419 /nfs/dbraw/zinc/98/84/19/564988419.db2.gz RHVCNWVKVAYJLB-JUZXBQNTSA-N -1 1 384.429 2.613 20 30 GFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000586753360 565113407 /nfs/dbraw/zinc/11/34/07/565113407.db2.gz URDBDJCOXMVSPA-SNVBAGLBSA-N -1 1 379.265 2.997 20 30 GFEDMM C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000614779430 565132098 /nfs/dbraw/zinc/13/20/98/565132098.db2.gz CWLWCLKQPNKPTQ-UHFFFAOYSA-N -1 1 381.435 2.555 20 30 GFEDMM COc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)cc(Br)c1OC ZINC000589175495 565155334 /nfs/dbraw/zinc/15/53/34/565155334.db2.gz LVRHERUYVALDPJ-UHFFFAOYSA-N -1 1 391.221 2.974 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](CO)Cc2ccccc2Br)c1 ZINC000617625929 565248888 /nfs/dbraw/zinc/24/88/88/565248888.db2.gz ASXYRTXRHZCPOZ-CYBMUJFWSA-N -1 1 389.249 2.607 20 30 GFEDMM O=S(=O)([N-][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(F)cc1C(F)(F)F ZINC000644278138 565470201 /nfs/dbraw/zinc/47/02/01/565470201.db2.gz GDZKOVDQOKEOPC-KWQFWETISA-N -1 1 395.296 2.969 20 30 GFEDMM N#CCOc1ccc(Cl)cc1COC(=O)c1sccc1-c1nn[n-]n1 ZINC000737698326 599242526 /nfs/dbraw/zinc/24/25/26/599242526.db2.gz XBGWBPBSKAAYNZ-UHFFFAOYSA-N -1 1 375.797 2.841 20 30 GFEDMM N#Cc1ccc(CN2CCCN(C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)cc1 ZINC000738432323 597202810 /nfs/dbraw/zinc/20/28/10/597202810.db2.gz ITLFJSFKJNEWFU-UHFFFAOYSA-N -1 1 392.459 2.925 20 30 GFEDMM COCC(N=Nc1oc(C)nc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000736965939 599286090 /nfs/dbraw/zinc/28/60/90/599286090.db2.gz IXUNRBOPXKJATG-UHFFFAOYSA-N -1 1 381.318 2.645 20 30 GFEDMM CCCN1CCN(c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2Cl)CC1 ZINC000820321357 598224990 /nfs/dbraw/zinc/22/49/90/598224990.db2.gz YUIRQBPIFPCVAK-IBGZPJMESA-N -1 1 392.887 2.815 20 30 GFEDMM C#CCOc1cccc(OC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1 ZINC000735387856 598422134 /nfs/dbraw/zinc/42/21/34/598422134.db2.gz IGBKJORLRQFCBI-UHFFFAOYSA-N -1 1 389.371 2.790 20 30 GFEDMM C#CCOc1cccc(OC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1 ZINC000735387856 598422136 /nfs/dbraw/zinc/42/21/36/598422136.db2.gz IGBKJORLRQFCBI-UHFFFAOYSA-N -1 1 389.371 2.790 20 30 GFEDMM N#Cc1cccc(COc2ccc(Nc3nccnc3-c3nnn[n-]3)cc2F)c1 ZINC000737730416 598602800 /nfs/dbraw/zinc/60/28/00/598602800.db2.gz KDIPWUWEGQYZHT-UHFFFAOYSA-N -1 1 388.366 2.990 20 30 GFEDMM N#Cc1cccc(COc2ccc(Nc3nccnc3-c3nn[n-]n3)cc2F)c1 ZINC000737730416 598602802 /nfs/dbraw/zinc/60/28/02/598602802.db2.gz KDIPWUWEGQYZHT-UHFFFAOYSA-N -1 1 388.366 2.990 20 30 GFEDMM CN=c1scc(-c2ccc(C)cc2OC)n1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000736869045 599324109 /nfs/dbraw/zinc/32/41/09/599324109.db2.gz URBXITFBERVQJY-UHFFFAOYSA-N -1 1 395.448 2.719 20 30 GFEDMM CN=c1scc(-c2ccc(C)cc2OC)n1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000736869045 599324111 /nfs/dbraw/zinc/32/41/11/599324111.db2.gz URBXITFBERVQJY-UHFFFAOYSA-N -1 1 395.448 2.719 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3ccc(OC(F)(F)F)cc32)o1 ZINC000737467507 599535178 /nfs/dbraw/zinc/53/51/78/599535178.db2.gz QZSJNAULLGJWPT-UHFFFAOYSA-N -1 1 379.302 2.824 20 30 GFEDMM N#Cc1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000481951639 600629171 /nfs/dbraw/zinc/62/91/71/600629171.db2.gz GVHIQZCPMFUECU-UHFFFAOYSA-N -1 1 382.344 2.588 20 30 GFEDMM C=CC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccncc1 ZINC000823888577 607616105 /nfs/dbraw/zinc/61/61/05/607616105.db2.gz QYRLNLPVUWPVOS-ZDUSSCGKSA-N -1 1 390.856 2.511 20 30 GFEDMM C=CC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccncc1 ZINC000823888577 607616107 /nfs/dbraw/zinc/61/61/07/607616107.db2.gz QYRLNLPVUWPVOS-ZDUSSCGKSA-N -1 1 390.856 2.511 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc([S@@](C)=O)cc2)o1 ZINC000819781575 606033311 /nfs/dbraw/zinc/03/33/11/606033311.db2.gz ABFPNIRXMRXLGC-HHHXNRCGSA-N -1 1 387.469 2.627 20 30 GFEDMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(-c3nnn[n-]3)s2)c1C#N ZINC000822486666 606139880 /nfs/dbraw/zinc/13/98/80/606139880.db2.gz RSWADSJMCFIZIR-UHFFFAOYSA-N -1 1 391.416 2.651 20 30 GFEDMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(-c3nn[n-]n3)s2)c1C#N ZINC000822486666 606139882 /nfs/dbraw/zinc/13/98/82/606139882.db2.gz RSWADSJMCFIZIR-UHFFFAOYSA-N -1 1 391.416 2.651 20 30 GFEDMM CCOC(=O)C(F)(F)[C@H]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC000825492537 607782878 /nfs/dbraw/zinc/78/28/78/607782878.db2.gz GNWVCOFCRROBOD-VIFPVBQESA-N -1 1 397.386 2.745 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2c[nH]nc2-c2ccccc2)o1 ZINC000824141443 607887391 /nfs/dbraw/zinc/88/73/91/607887391.db2.gz HGYIHKWFWJIQOP-UHFFFAOYSA-N -1 1 377.412 2.988 20 30 GFEDMM COCCN(Cc1ccc(C#N)cc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000826159219 608180340 /nfs/dbraw/zinc/18/03/40/608180340.db2.gz XAGALJWZRHNYTR-UHFFFAOYSA-N -1 1 375.845 2.501 20 30 GFEDMM COCCN(Cc1ccc(C#N)cc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000826159219 608180341 /nfs/dbraw/zinc/18/03/41/608180341.db2.gz XAGALJWZRHNYTR-UHFFFAOYSA-N -1 1 375.845 2.501 20 30 GFEDMM CSc1nc(C2CC2)cc(C(=O)N2CCC(CC#N)CC2)c1-c1nn[n-]n1 ZINC000826231497 609422965 /nfs/dbraw/zinc/42/29/65/609422965.db2.gz NQVAZZQXQCXFSI-UHFFFAOYSA-N -1 1 383.481 2.627 20 30 GFEDMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc21 ZINC000055571857 654777625 /nfs/dbraw/zinc/77/76/25/654777625.db2.gz XZSZNNYENZPJMP-UHFFFAOYSA-N -1 1 375.837 2.921 20 30 GFEDMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000069422981 654981350 /nfs/dbraw/zinc/98/13/50/654981350.db2.gz TVPJLFIPRDHOBV-YUMQZZPRSA-N -1 1 375.237 2.907 20 30 GFEDMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000069422981 654981356 /nfs/dbraw/zinc/98/13/56/654981356.db2.gz TVPJLFIPRDHOBV-YUMQZZPRSA-N -1 1 375.237 2.907 20 30 GFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1S(C)(=O)=O ZINC000134624095 654998033 /nfs/dbraw/zinc/99/80/33/654998033.db2.gz GNIJNVLQZNUUFQ-UHFFFAOYSA-N -1 1 384.866 2.724 20 30 GFEDMM O=c1cn[n-]c(=S)n1N=Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000766476569 656172576 /nfs/dbraw/zinc/17/25/76/656172576.db2.gz APZYBPVHKJWFOE-UHFFFAOYSA-N -1 1 394.279 2.695 20 30 GFEDMM COc1cccc(NN=Cc2cc(Br)ccc2OCC(=O)[O-])n1 ZINC000779819018 656945498 /nfs/dbraw/zinc/94/54/98/656945498.db2.gz GAKCVNDMDAIMOD-UHFFFAOYSA-N -1 1 380.198 2.762 20 30 GFEDMM COc1ccc(N=NCc2cc(Br)ccc2OCC(=O)[O-])nc1 ZINC000780275474 656994907 /nfs/dbraw/zinc/99/49/07/656994907.db2.gz XTSNEHOBSHDDEM-UHFFFAOYSA-N -1 1 380.198 2.762 20 30 GFEDMM C#CCOCC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000849385853 661713466 /nfs/dbraw/zinc/71/34/66/661713466.db2.gz VOWHUJNQZDSPAV-UHFFFAOYSA-N -1 1 387.082 2.684 20 30 GFEDMM Cc1nc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)c(Br)n1C ZINC000849424091 661722162 /nfs/dbraw/zinc/72/21/62/661722162.db2.gz UADSLQPQFGXHMM-UHFFFAOYSA-N -1 1 397.298 2.576 20 30 GFEDMM CC[C@]([N-]S(=O)(=O)Cc1csc(C#N)c1)(C(=O)OC)c1ccccc1 ZINC000914076776 664374846 /nfs/dbraw/zinc/37/48/46/664374846.db2.gz KSGXYSVOVMQICH-QGZVFWFLSA-N -1 1 378.475 2.518 20 30 GFEDMM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)no1 ZINC000186212473 552382309 /nfs/dbraw/zinc/38/23/09/552382309.db2.gz JIBSUQDBXQCRSY-UHFFFAOYSA-N -1 1 383.857 2.993 20 30 GFEDMM COc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)cc(Br)c1OC ZINC000187807111 552425064 /nfs/dbraw/zinc/42/50/64/552425064.db2.gz UNUJVMBYTLCEIT-UHFFFAOYSA-N -1 1 391.221 2.974 20 30 GFEDMM CCc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c1 ZINC000192127470 552552411 /nfs/dbraw/zinc/55/24/11/552552411.db2.gz CAWXLNAPYREZAO-ZDUSSCGKSA-N -1 1 378.475 2.736 20 30 GFEDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])nn1CCC#N ZINC000278213936 563245366 /nfs/dbraw/zinc/24/53/66/563245366.db2.gz VJHPJZPGWAVTDI-UHFFFAOYSA-N -1 1 378.230 2.895 20 30 GFEDMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432777894 563592909 /nfs/dbraw/zinc/59/29/09/563592909.db2.gz WULNVBQTGJBOKB-UHFFFAOYSA-N -1 1 394.250 2.529 20 30 GFEDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)s1 ZINC000287749302 563616167 /nfs/dbraw/zinc/61/61/67/563616167.db2.gz ILWLSAOFLFXOKS-ZETCQYMHSA-N -1 1 387.284 2.520 20 30 GFEDMM N#CCc1ccc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000508030667 564251065 /nfs/dbraw/zinc/25/10/65/564251065.db2.gz YBTSWADKHFNJCJ-UHFFFAOYSA-N -1 1 398.271 2.976 20 30 GFEDMM C[C@@H](Cc1cc(Br)ccc1F)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000565081387 564265485 /nfs/dbraw/zinc/26/54/85/564265485.db2.gz OINZAHSYOMWELW-VIFPVBQESA-N -1 1 387.230 2.962 20 30 GFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cc1Cl ZINC000481962531 564529756 /nfs/dbraw/zinc/52/97/56/564529756.db2.gz JHBXORMTZIQXBT-UHFFFAOYSA-N -1 1 375.837 2.905 20 30 GFEDMM N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(Br)c([O-])c3)C2)nc1 ZINC000552903124 564704211 /nfs/dbraw/zinc/70/42/11/564704211.db2.gz YDFPFFYKWDNQMR-ZDUSSCGKSA-N -1 1 388.221 2.715 20 30 GFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000576258472 564710177 /nfs/dbraw/zinc/71/01/77/564710177.db2.gz BAEHDZXGDLDVBU-INIZCTEOSA-N -1 1 378.837 2.545 20 30 GFEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)c1 ZINC000532364568 564935920 /nfs/dbraw/zinc/93/59/20/564935920.db2.gz MRGLZYDIGLZQJI-UHFFFAOYSA-N -1 1 381.475 2.846 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1 ZINC000614297132 565105724 /nfs/dbraw/zinc/10/57/24/565105724.db2.gz QDYOYXQRHGAVBK-UHFFFAOYSA-N -1 1 377.231 2.928 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(c3cccc(Br)c3)CC2)c1 ZINC000586840341 565119333 /nfs/dbraw/zinc/11/93/33/565119333.db2.gz HOJXMYPPEZAUGS-UHFFFAOYSA-N -1 1 386.249 2.989 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000590456620 565189639 /nfs/dbraw/zinc/18/96/39/565189639.db2.gz RHUNQBUCRRXOCO-OAHLLOKOSA-N -1 1 379.185 2.629 20 30 GFEDMM C[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000590749874 565200448 /nfs/dbraw/zinc/20/04/48/565200448.db2.gz ZZVLRQQGPAPNAM-UWVGGRQHSA-N -1 1 391.262 2.553 20 30 GFEDMM Cc1nsc(N2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)c1C#N ZINC000601584362 565793238 /nfs/dbraw/zinc/79/32/38/565793238.db2.gz BCDMOZKMDQDLSR-UHFFFAOYSA-N -1 1 376.869 2.574 20 30 GFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1NC(C)=O ZINC000603977943 565920873 /nfs/dbraw/zinc/92/08/73/565920873.db2.gz YDAFTBQVFQFZEZ-UHFFFAOYSA-N -1 1 379.825 2.979 20 30 GFEDMM COc1ccc2[nH]cc(CN=Nc3oc(CC(C)C)nc3-c3nn[n-]n3)c2c1 ZINC000737115783 598392361 /nfs/dbraw/zinc/39/23/61/598392361.db2.gz RIQBSGVJLLKZLB-UHFFFAOYSA-N -1 1 380.412 2.989 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(O[C@H](C)C#N)cc2)o1 ZINC000735851369 598496481 /nfs/dbraw/zinc/49/64/81/598496481.db2.gz RPLRQBBMBVJZKN-GFCCVEGCSA-N -1 1 380.412 2.790 20 30 GFEDMM N#Cc1ccc(OCCn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000737721580 598721487 /nfs/dbraw/zinc/72/14/87/598721487.db2.gz LPVRJMFIVPTLFS-UHFFFAOYSA-N -1 1 392.806 2.786 20 30 GFEDMM C=CCC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734234 607390474 /nfs/dbraw/zinc/39/04/74/607390474.db2.gz KNUPGDSBFKORDC-QGZVFWFLSA-N -1 1 387.440 2.992 20 30 GFEDMM N#Cc1cccc([C@@H](NCc2cccc(NC(=O)[C@H]3CCCO3)c2)C(=O)[O-])c1 ZINC000833075593 601303632 /nfs/dbraw/zinc/30/36/32/601303632.db2.gz MLGASKGPIIOBOH-RTBURBONSA-N -1 1 379.416 2.591 20 30 GFEDMM N#Cc1cccc([C@@H](NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)C(=O)[O-])c1 ZINC000833075591 601303661 /nfs/dbraw/zinc/30/36/61/601303661.db2.gz MLGASKGPIIOBOH-RBUKOAKNSA-N -1 1 379.416 2.591 20 30 GFEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000833073901 601314556 /nfs/dbraw/zinc/31/45/56/601314556.db2.gz JUMIUIIODZVYKO-LJQANCHMSA-N -1 1 379.416 2.891 20 30 GFEDMM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000462101325 601332419 /nfs/dbraw/zinc/33/24/19/601332419.db2.gz IUJOUQGEXUTXLN-UHFFFAOYSA-N -1 1 389.433 2.888 20 30 GFEDMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435144352 605009571 /nfs/dbraw/zinc/00/95/71/605009571.db2.gz DSRWTWBVKAZJQG-UHFFFAOYSA-N -1 1 390.417 2.853 20 30 GFEDMM N#Cc1ccc(NC(=O)CN2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)cc1Cl ZINC000833975223 605447364 /nfs/dbraw/zinc/44/73/64/605447364.db2.gz LOKHXOOEQHOMNI-DUVNUKRYSA-N -1 1 376.844 2.518 20 30 GFEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)nnn1-c1ccc(F)cc1 ZINC000822015500 606390804 /nfs/dbraw/zinc/39/08/04/606390804.db2.gz LCHIREMMXFNXRV-SOFGYWHQSA-N -1 1 381.396 2.853 20 30 GFEDMM N#Cc1[n-]c(NC(=O)CCCc2cc(Cl)sc2Cl)nc1-c1nn[nH]n1 ZINC000822814949 606694463 /nfs/dbraw/zinc/69/44/63/606694463.db2.gz MBDRIKRCNDLFHN-UHFFFAOYSA-N -1 1 397.251 2.791 20 30 GFEDMM Cc1nn(-c2ccccc2)c(CN(CCC#N)Cc2ccco2)c1-c1nn[n-]n1 ZINC000822486781 606698697 /nfs/dbraw/zinc/69/86/97/606698697.db2.gz SFYXNQPAXVAGOI-UHFFFAOYSA-N -1 1 388.435 2.870 20 30 GFEDMM COc1cc(Cn2ccnc2-c2nnn[n-]2)ccc1OCc1cccc(C#N)c1 ZINC000826179944 608892322 /nfs/dbraw/zinc/89/23/22/608892322.db2.gz LZYZVGOYDUANGZ-UHFFFAOYSA-N -1 1 387.403 2.571 20 30 GFEDMM COc1cc(Cn2ccnc2-c2nn[n-]n2)ccc1OCc1cccc(C#N)c1 ZINC000826179944 608892323 /nfs/dbraw/zinc/89/23/23/608892323.db2.gz LZYZVGOYDUANGZ-UHFFFAOYSA-N -1 1 387.403 2.571 20 30 GFEDMM C#CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000017797707 654521862 /nfs/dbraw/zinc/52/18/62/654521862.db2.gz ZGXJHQPJDLEBIC-UHFFFAOYSA-N -1 1 393.262 2.613 20 30 GFEDMM N#CCOc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000170788255 655145999 /nfs/dbraw/zinc/14/59/99/655145999.db2.gz OCPWHDSKOGNDKV-UHFFFAOYSA-N -1 1 381.797 2.629 20 30 GFEDMM O=c1nc(NN=C2CCSc3ccc(Br)cc32)nc2[nH][n-]cc1-2 ZINC000731154474 655582076 /nfs/dbraw/zinc/58/20/76/655582076.db2.gz NMEDDTKEOQXRBS-UHFFFAOYSA-N -1 1 391.254 2.507 20 30 GFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2 ZINC000764682092 656116951 /nfs/dbraw/zinc/11/69/51/656116951.db2.gz PYOSIKZHCFHHED-UHFFFAOYSA-N -1 1 379.463 2.989 20 30 GFEDMM COc1cc(C#N)ccc1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765754202 656151089 /nfs/dbraw/zinc/15/10/89/656151089.db2.gz SJRKPNDITDHQEV-UHFFFAOYSA-N -1 1 391.221 2.730 20 30 GFEDMM N#Cc1ccc(F)c(CS(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766200734 656164808 /nfs/dbraw/zinc/16/48/08/656164808.db2.gz NGNKJQDUIJYGIP-UHFFFAOYSA-N -1 1 399.241 2.785 20 30 GFEDMM CC(N=Nc1ncnc2c1cnn2C)c1cc(Br)cc(F)c1[O-] ZINC000783826255 657263827 /nfs/dbraw/zinc/26/38/27/657263827.db2.gz JXVJKAPUFULJOA-UHFFFAOYSA-N -1 1 379.193 2.807 20 30 GFEDMM C#C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(Cl)cc1 ZINC000810098814 659961400 /nfs/dbraw/zinc/96/14/00/659961400.db2.gz AAMXLGHPTGJOJH-AWEZNQCLSA-N -1 1 375.793 2.773 20 30 GFEDMM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000859423496 662161633 /nfs/dbraw/zinc/16/16/33/662161633.db2.gz FRPVRNPGQKXZQW-VIFPVBQESA-N -1 1 381.237 2.608 20 30 GFEDMM C=CCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000055621244 551173240 /nfs/dbraw/zinc/17/32/40/551173240.db2.gz RJNZTXROLNGIKV-UHFFFAOYSA-N -1 1 380.491 2.602 20 30 GFEDMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1F ZINC000176691569 552144050 /nfs/dbraw/zinc/14/40/50/552144050.db2.gz PVGOLFYDSWBXAK-UHFFFAOYSA-N -1 1 381.816 2.853 20 30 GFEDMM Cc1cc(NC(=O)CNC(=O)c2ccc(C#N)c([O-])c2)ccc1Br ZINC000187773361 552423704 /nfs/dbraw/zinc/42/37/04/552423704.db2.gz KXAVSXHLIIOBRH-UHFFFAOYSA-N -1 1 388.221 2.703 20 30 GFEDMM CCc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c1 ZINC000192127477 552552266 /nfs/dbraw/zinc/55/22/66/552552266.db2.gz CAWXLNAPYREZAO-CYBMUJFWSA-N -1 1 378.475 2.736 20 30 GFEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000192128827 552552319 /nfs/dbraw/zinc/55/23/19/552552319.db2.gz JSAOLEVNFMXFHO-ZDUSSCGKSA-N -1 1 378.475 2.736 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000310781949 563435193 /nfs/dbraw/zinc/43/51/93/563435193.db2.gz PAAMPBRDKGBLIN-MRXNPFEDSA-N -1 1 375.881 2.764 20 30 GFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cnc(C#N)c(Cl)c2)o1 ZINC000411036592 563602765 /nfs/dbraw/zinc/60/27/65/563602765.db2.gz XMGNDNSCMVFFHB-UHFFFAOYSA-N -1 1 382.829 2.529 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)c(Cl)c1 ZINC000436478165 563671029 /nfs/dbraw/zinc/67/10/29/563671029.db2.gz NXTAVCFLHNLZMM-UHFFFAOYSA-N -1 1 377.788 2.937 20 30 GFEDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2C#N)s1 ZINC000416453602 563830685 /nfs/dbraw/zinc/83/06/85/563830685.db2.gz GBNDGSXGAGNJJT-ZETCQYMHSA-N -1 1 387.284 2.520 20 30 GFEDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@H](C)O1 ZINC000416590399 563851090 /nfs/dbraw/zinc/85/10/90/563851090.db2.gz BQIYMBOZHJECTA-WCABBAIRSA-N -1 1 391.262 2.552 20 30 GFEDMM COC1([C@@H](C)[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1 ZINC000416615589 563853787 /nfs/dbraw/zinc/85/37/87/563853787.db2.gz KECJULJDWZPPLJ-SECBINFHSA-N -1 1 391.262 2.696 20 30 GFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1I ZINC000416958709 563863984 /nfs/dbraw/zinc/86/39/84/563863984.db2.gz MCWNVEGQXDYKNH-QMMMGPOBSA-N -1 1 384.626 2.988 20 30 GFEDMM COc1ccc(Br)cc1[C@@H](NCc1cc(C#N)n(C)c1)C(=O)[O-] ZINC000417568514 563883849 /nfs/dbraw/zinc/88/38/49/563883849.db2.gz TXQGDDBGWTVILL-OAHLLOKOSA-N -1 1 378.226 2.583 20 30 GFEDMM N#CCN1CCC(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000473868312 564255305 /nfs/dbraw/zinc/25/53/05/564255305.db2.gz XNSDMNJMJOOKDW-UHFFFAOYSA-N -1 1 380.272 2.646 20 30 GFEDMM C=CCSCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451127874 564277654 /nfs/dbraw/zinc/27/76/54/564277654.db2.gz VVOYFETVPRSMKU-UHFFFAOYSA-N -1 1 379.276 2.657 20 30 GFEDMM C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451154452 564280873 /nfs/dbraw/zinc/28/08/73/564280873.db2.gz LFORHBVOXUIEAA-GXSJLCMTSA-N -1 1 391.262 2.696 20 30 GFEDMM COCCC1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC000451325756 564301055 /nfs/dbraw/zinc/30/10/55/564301055.db2.gz AMKOEEYHSYNKCE-UHFFFAOYSA-N -1 1 391.262 2.555 20 30 GFEDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H]1CCCO1 ZINC000451344691 564302692 /nfs/dbraw/zinc/30/26/92/564302692.db2.gz RAGRZHMSPYIXBZ-CHWSQXEVSA-N -1 1 391.262 2.696 20 30 GFEDMM CCC(CC)(CO)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451351371 564303782 /nfs/dbraw/zinc/30/37/82/564303782.db2.gz VUZPLEDLVGVHOE-UHFFFAOYSA-N -1 1 393.278 2.537 20 30 GFEDMM CSC1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC000451472026 564316840 /nfs/dbraw/zinc/31/68/40/564316840.db2.gz JGSZBLBCXZVZBV-UHFFFAOYSA-N -1 1 379.276 2.634 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CCCOCC2CC2)cc1Br ZINC000573044391 564621037 /nfs/dbraw/zinc/62/10/37/564621037.db2.gz ZRCAOUNYTIWJJV-UHFFFAOYSA-N -1 1 391.262 2.555 20 30 GFEDMM C[C@H]1CC([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@H](C)O1 ZINC000581351710 564798410 /nfs/dbraw/zinc/79/84/10/564798410.db2.gz UGCBLVNKCMJBRQ-IUCAKERBSA-N -1 1 391.262 2.694 20 30 GFEDMM N#CCc1ccnc(NC(=O)c2cc(I)ccc2[O-])c1 ZINC000558718482 564912190 /nfs/dbraw/zinc/91/21/90/564912190.db2.gz XGBGNFMQDMBYFH-UHFFFAOYSA-N -1 1 379.157 2.710 20 30 GFEDMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000534402258 564987790 /nfs/dbraw/zinc/98/77/90/564987790.db2.gz OYGYUSQHQIUGFT-UHFFFAOYSA-N -1 1 384.772 2.858 20 30 GFEDMM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000537019775 565051725 /nfs/dbraw/zinc/05/17/25/565051725.db2.gz SEMNHVNIYCUZOR-MRVPVSSYSA-N -1 1 386.670 2.705 20 30 GFEDMM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(F)cc1 ZINC000593538683 565339320 /nfs/dbraw/zinc/33/93/20/565339320.db2.gz UMJGAYYYJBFYCE-ZDUSSCGKSA-N -1 1 382.438 2.732 20 30 GFEDMM C=CCN(C(=O)c1cc(I)ccc1[O-])[C@H](C)COC ZINC000597953867 565584962 /nfs/dbraw/zinc/58/49/62/565584962.db2.gz CCLWIVBSXMHJMU-SNVBAGLBSA-N -1 1 375.206 2.660 20 30 GFEDMM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2NC1=O ZINC000603972885 565920732 /nfs/dbraw/zinc/92/07/32/565920732.db2.gz YWBZWVQXEHZCPF-SECBINFHSA-N -1 1 377.809 2.732 20 30 GFEDMM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000609984945 566060629 /nfs/dbraw/zinc/06/06/29/566060629.db2.gz LNJMETJKVDUDGW-UHFFFAOYSA-N -1 1 379.463 2.511 20 30 GFEDMM O=C(CCC(F)(F)F)[N-][C@H](CNC(=O)CCC(F)(F)F)C(F)(F)F ZINC000612462713 566163388 /nfs/dbraw/zinc/16/33/88/566163388.db2.gz BZHUUFWLPHTNSN-ZCFIWIBFSA-N -1 1 376.219 2.835 20 30 GFEDMM CCc1nn(C)c(Cl)c1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000736705655 599157549 /nfs/dbraw/zinc/15/75/49/599157549.db2.gz NANPBQWYQFDXTR-UHFFFAOYSA-N -1 1 377.840 2.548 20 30 GFEDMM COc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737083831 598392376 /nfs/dbraw/zinc/39/23/76/598392376.db2.gz WMGDRYRQXSDFJI-UHFFFAOYSA-N -1 1 386.372 2.515 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnn(-c3ccc(F)cc3)c2)o1 ZINC000735939745 598580646 /nfs/dbraw/zinc/58/06/46/598580646.db2.gz RHVIQMAWJPMXNI-UHFFFAOYSA-N -1 1 381.375 2.749 20 30 GFEDMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(C#N)cc2C)c1-c1nn[n-]n1 ZINC000826257193 607387196 /nfs/dbraw/zinc/38/71/96/607387196.db2.gz RQPJFJCPKBBMQV-UHFFFAOYSA-N -1 1 399.414 2.898 20 30 GFEDMM CCOc1ccc(N(CCC#N)C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000737203447 600295777 /nfs/dbraw/zinc/29/57/77/600295777.db2.gz MTFGPGGWFWKKOJ-SFHVURJKSA-N -1 1 385.464 2.519 20 30 GFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000739104497 600567777 /nfs/dbraw/zinc/56/77/77/600567777.db2.gz GTWSWIROIQYUIH-LJQANCHMSA-N -1 1 379.416 2.891 20 30 GFEDMM C[C@@H]1CCCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1CNC(=O)[O-] ZINC000825926196 603729684 /nfs/dbraw/zinc/72/96/84/603729684.db2.gz UVPNJCVNXBWNHX-XUWXXGDYSA-N -1 1 393.447 2.592 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000824142458 607652800 /nfs/dbraw/zinc/65/28/00/607652800.db2.gz UEPKTJABDDNABS-UHFFFAOYSA-N -1 1 395.383 2.988 20 30 GFEDMM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256722 604209390 /nfs/dbraw/zinc/20/93/90/604209390.db2.gz ZXENQUKHULSALB-XHSDSOJGSA-N -1 1 390.459 2.829 20 30 GFEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833402394 605598322 /nfs/dbraw/zinc/59/83/22/605598322.db2.gz LHNBISAJJIUFGB-CYBMUJFWSA-N -1 1 386.429 2.894 20 30 GFEDMM N#Cc1c[nH]c(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c1 ZINC000822819615 606279043 /nfs/dbraw/zinc/27/90/43/606279043.db2.gz YHPRVDNAMQYQLZ-UHFFFAOYSA-N -1 1 375.417 2.725 20 30 GFEDMM C=CCn1c(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)nnc1-c1cccnc1 ZINC000819765850 606444308 /nfs/dbraw/zinc/44/43/08/606444308.db2.gz SPNMQBFNNACMQC-UHFFFAOYSA-N -1 1 397.855 2.906 20 30 GFEDMM C=CCn1c(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)nnc1-c1cccnc1 ZINC000819765850 606444309 /nfs/dbraw/zinc/44/43/09/606444309.db2.gz SPNMQBFNNACMQC-UHFFFAOYSA-N -1 1 397.855 2.906 20 30 GFEDMM N#Cc1ccccc1N1CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000822842505 606481406 /nfs/dbraw/zinc/48/14/06/606481406.db2.gz LMFXOAJQJYXZBJ-UHFFFAOYSA-N -1 1 397.446 2.762 20 30 GFEDMM N#Cc1ccccc1N1CCC(Nc2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000822842505 606481408 /nfs/dbraw/zinc/48/14/08/606481408.db2.gz LMFXOAJQJYXZBJ-UHFFFAOYSA-N -1 1 397.446 2.762 20 30 GFEDMM CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OC ZINC000820843192 606561718 /nfs/dbraw/zinc/56/17/18/606561718.db2.gz VBBNQXCBDXLAMR-GFCCVEGCSA-N -1 1 398.448 2.548 20 30 GFEDMM CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OC ZINC000820843192 606561720 /nfs/dbraw/zinc/56/17/20/606561720.db2.gz VBBNQXCBDXLAMR-GFCCVEGCSA-N -1 1 398.448 2.548 20 30 GFEDMM CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OC ZINC000820843200 606561749 /nfs/dbraw/zinc/56/17/49/606561749.db2.gz VBBNQXCBDXLAMR-LBPRGKRZSA-N -1 1 398.448 2.548 20 30 GFEDMM CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OC ZINC000820843200 606561752 /nfs/dbraw/zinc/56/17/52/606561752.db2.gz VBBNQXCBDXLAMR-LBPRGKRZSA-N -1 1 398.448 2.548 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1ccc(F)c(C#N)c1 ZINC000822540946 606992123 /nfs/dbraw/zinc/99/21/23/606992123.db2.gz HRGQLXNLJALEIT-UHFFFAOYSA-N -1 1 392.350 2.927 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1ccc(F)c(C#N)c1 ZINC000822540946 606992125 /nfs/dbraw/zinc/99/21/25/606992125.db2.gz HRGQLXNLJALEIT-UHFFFAOYSA-N -1 1 392.350 2.927 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2sc(N(C)C)nc2-c2ccccc2)o1 ZINC000826323057 607887228 /nfs/dbraw/zinc/88/72/28/607887228.db2.gz NUFMDZPDDMMVHG-UHFFFAOYSA-N -1 1 395.452 2.799 20 30 GFEDMM CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823953863 608094405 /nfs/dbraw/zinc/09/44/05/608094405.db2.gz SUCGWPCYAGEEIV-UHFFFAOYSA-N -1 1 386.510 2.705 20 30 GFEDMM N#Cc1ccccc1N1CCC(Nc2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826387402 608189962 /nfs/dbraw/zinc/18/99/62/608189962.db2.gz SWOVPDBWIRMCAQ-UHFFFAOYSA-N -1 1 386.872 2.929 20 30 GFEDMM N#Cc1ccccc1N1CCC(Nc2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000826387402 608189963 /nfs/dbraw/zinc/18/99/63/608189963.db2.gz SWOVPDBWIRMCAQ-UHFFFAOYSA-N -1 1 386.872 2.929 20 30 GFEDMM CNS(=O)(=O)c1ccc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)o1 ZINC000264493046 655464986 /nfs/dbraw/zinc/46/49/86/655464986.db2.gz TUPLMVCSUJXBAW-NSHDSACASA-N -1 1 379.463 2.692 20 30 GFEDMM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000579362922 655498393 /nfs/dbraw/zinc/49/83/93/655498393.db2.gz XYUHKXKFKKMJIP-ZANVPECISA-N -1 1 393.278 2.535 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCSc2ccc(F)cc21 ZINC000748248066 655789059 /nfs/dbraw/zinc/78/90/59/655789059.db2.gz DRARSYPJFDFIRV-UHFFFAOYSA-N -1 1 381.410 2.912 20 30 GFEDMM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000755442609 655883494 /nfs/dbraw/zinc/88/34/94/655883494.db2.gz LCMPGVQOGQQLAY-SNVBAGLBSA-N -1 1 376.232 2.574 20 30 GFEDMM CS(=O)(=O)c1ccc(NN=Cc2cc(O)cc(Br)c2[O-])cc1 ZINC000755643704 655886816 /nfs/dbraw/zinc/88/68/16/655886816.db2.gz XQOLKUHLNJZBBU-UHFFFAOYSA-N -1 1 385.239 2.710 20 30 GFEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cnc2cnc(Br)cn12 ZINC000756898709 655906732 /nfs/dbraw/zinc/90/67/32/655906732.db2.gz ACYKTETVFXDVHJ-UHFFFAOYSA-N -1 1 390.197 2.645 20 30 GFEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000766062629 656159347 /nfs/dbraw/zinc/15/93/47/656159347.db2.gz CZMVPLLHWCOOKN-UHFFFAOYSA-N -1 1 384.772 2.858 20 30 GFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2cccc(Br)c2)o1 ZINC000766475725 656172581 /nfs/dbraw/zinc/17/25/81/656172581.db2.gz XYRFSWWIHOEKTN-UHFFFAOYSA-N -1 1 377.223 2.832 20 30 GFEDMM Cc1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])ccc1C#N ZINC000767535744 656208236 /nfs/dbraw/zinc/20/82/36/656208236.db2.gz BNWQZYXMCUFKAW-UHFFFAOYSA-N -1 1 381.251 2.813 20 30 GFEDMM COc1cccc(NN=Cc2ccc(OCC(=O)[O-])c(Br)c2)n1 ZINC000779821156 656945321 /nfs/dbraw/zinc/94/53/21/656945321.db2.gz UIMJQKNBJISBRR-UHFFFAOYSA-N -1 1 380.198 2.762 20 30 GFEDMM C=CCCC[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br ZINC000790453837 657985060 /nfs/dbraw/zinc/98/50/60/657985060.db2.gz YYHMZEGQZHKIEM-UHFFFAOYSA-N -1 1 380.235 2.619 20 30 GFEDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000917751195 664489816 /nfs/dbraw/zinc/48/98/16/664489816.db2.gz DMWUVURCRZQFTB-UHFFFAOYSA-N -1 1 399.881 2.774 20 30 GFEDMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)c(F)c1 ZINC000155079549 551490829 /nfs/dbraw/zinc/49/08/29/551490829.db2.gz UZRUPNQUJAZWAK-OAHLLOKOSA-N -1 1 382.800 2.543 20 30 GFEDMM CN(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158032244 551546218 /nfs/dbraw/zinc/54/62/18/551546218.db2.gz YMMNTANPQLWNEU-UHFFFAOYSA-N -1 1 381.816 2.853 20 30 GFEDMM C[C@@H](C#N)[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000160657770 551583654 /nfs/dbraw/zinc/58/36/54/551583654.db2.gz DWXORXRGGDOQGD-YFKPBYRVSA-N -1 1 386.040 2.541 20 30 GFEDMM C=CCSCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000171423837 551655264 /nfs/dbraw/zinc/65/52/64/551655264.db2.gz DKILVHCTHFBNRF-UHFFFAOYSA-N -1 1 381.273 2.555 20 30 GFEDMM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 ZINC000295186935 563234160 /nfs/dbraw/zinc/23/41/60/563234160.db2.gz QORYOTCEVIZMMN-VHSXEESVSA-N -1 1 391.262 2.553 20 30 GFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nnc(-c2cccc(F)c2)s1 ZINC000376315375 563437197 /nfs/dbraw/zinc/43/71/97/563437197.db2.gz GBEDONVJTSXJHH-VIFPVBQESA-N -1 1 378.410 2.848 20 30 GFEDMM COC(=O)c1cnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[n-]1 ZINC000432655436 563590439 /nfs/dbraw/zinc/59/04/39/563590439.db2.gz NFQYRDJMHACYSL-MRVPVSSYSA-N -1 1 376.463 2.737 20 30 GFEDMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000432655436 563590440 /nfs/dbraw/zinc/59/04/40/563590440.db2.gz NFQYRDJMHACYSL-MRVPVSSYSA-N -1 1 376.463 2.737 20 30 GFEDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cccc(Br)c2C#N)s1 ZINC000287749300 563616430 /nfs/dbraw/zinc/61/64/30/563616430.db2.gz ILWLSAOFLFXOKS-SSDOTTSWSA-N -1 1 387.284 2.520 20 30 GFEDMM O=C([N-]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(F)C(F)(F)F ZINC000289827535 563688234 /nfs/dbraw/zinc/68/82/34/563688234.db2.gz PFCFLDSBCCJTON-ZETCQYMHSA-N -1 1 378.635 2.918 20 30 GFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(-c2cccc(F)c2)no1 ZINC000366626056 563815814 /nfs/dbraw/zinc/81/58/14/563815814.db2.gz VECOEIRFCZEZOY-SECBINFHSA-N -1 1 378.410 2.848 20 30 GFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(C(=O)OC)c1C ZINC000416967497 563864729 /nfs/dbraw/zinc/86/47/29/563864729.db2.gz XCCCIKXIUFWSPU-VIFPVBQESA-N -1 1 375.244 2.588 20 30 GFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000506818237 564213069 /nfs/dbraw/zinc/21/30/69/564213069.db2.gz GZXFLGFWGUSAFD-NSHDSACASA-N -1 1 379.265 2.997 20 30 GFEDMM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)O1 ZINC000451419864 564311408 /nfs/dbraw/zinc/31/14/08/564311408.db2.gz MBRQXXZMEGRUJQ-SNVBAGLBSA-N -1 1 391.262 2.696 20 30 GFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000509752178 564312133 /nfs/dbraw/zinc/31/21/33/564312133.db2.gz UIQKDWVDRBLNIG-UHFFFAOYSA-N -1 1 377.249 2.752 20 30 GFEDMM C=CCC[C@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)OCC ZINC000451985823 564376166 /nfs/dbraw/zinc/37/61/66/564376166.db2.gz FBONRIWTFBOUJR-JTQLQIEISA-N -1 1 382.301 2.687 20 30 GFEDMM N#Cc1ccc(C(=O)N(CCO)Cc2cccc(Br)c2)cc1[O-] ZINC000489122411 564730725 /nfs/dbraw/zinc/73/07/25/564730725.db2.gz JWJQWMUBDFVJGT-UHFFFAOYSA-N -1 1 375.222 2.661 20 30 GFEDMM N#Cc1cncc(S(=O)(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000554956816 564779223 /nfs/dbraw/zinc/77/92/23/564779223.db2.gz OUQNMLABZNTDKT-ZDUSSCGKSA-N -1 1 377.294 2.813 20 30 GFEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000589193996 565154925 /nfs/dbraw/zinc/15/49/25/565154925.db2.gz OPXSJWNHGPHYEW-OAHLLOKOSA-N -1 1 376.821 2.518 20 30 GFEDMM N#Cc1sccc1S(=O)(=O)[N-]c1cc(F)c(N2CCOCC2)cc1F ZINC000593215906 565320940 /nfs/dbraw/zinc/32/09/40/565320940.db2.gz UGAVVKYJCQDLSR-UHFFFAOYSA-N -1 1 385.417 2.535 20 30 GFEDMM N#Cc1sccc1S(=O)(=O)Nc1ccc(N2CCCC2)cc1C(=O)[O-] ZINC000593210095 565321085 /nfs/dbraw/zinc/32/10/85/565321085.db2.gz IPLKXPYGUWJITR-UHFFFAOYSA-N -1 1 377.447 2.719 20 30 GFEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N)[C@H]1CCOC1 ZINC000594694301 565407362 /nfs/dbraw/zinc/40/73/62/565407362.db2.gz ILXLRSRZGSBUBN-IJEWVQPXSA-N -1 1 384.523 2.732 20 30 GFEDMM O=S(=O)([N-][C@H]1CC[C@](O)(C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1F ZINC000644275676 565469454 /nfs/dbraw/zinc/46/94/54/565469454.db2.gz RDHWODHUIMRFNR-GZMMTYOYSA-N -1 1 395.296 2.969 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)cc1Br ZINC000598621061 565630719 /nfs/dbraw/zinc/63/07/19/565630719.db2.gz FFFREXBFCVFICE-MRVPVSSYSA-N -1 1 383.189 2.783 20 30 GFEDMM CN1CC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000820620334 597606430 /nfs/dbraw/zinc/60/64/30/597606430.db2.gz JYQWTSINOKVDMG-XHBKTUGNSA-N -1 1 381.835 2.593 20 30 GFEDMM N#Cc1ccc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)cc1Cl ZINC000737717597 598745658 /nfs/dbraw/zinc/74/56/58/598745658.db2.gz HLFYYOYRMOOMPA-UHFFFAOYSA-N -1 1 396.842 2.584 20 30 GFEDMM Cc1cc(C)n(N=Cc2cc(C(F)(F)F)ccc2F)c(=O)c1-c1nn[n-]n1 ZINC000737256746 598820894 /nfs/dbraw/zinc/82/08/94/598820894.db2.gz MWAHFZDJNVKKJE-UHFFFAOYSA-N -1 1 380.305 2.685 20 30 GFEDMM Oc1ccc(-c2csc(=NC3CC3)n2N=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000738398196 599325071 /nfs/dbraw/zinc/32/50/71/599325071.db2.gz VPJIVUSCFRVJOZ-UHFFFAOYSA-N -1 1 393.432 2.641 20 30 GFEDMM Oc1ccc(-c2csc(=NC3CC3)n2N=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000738398196 599325072 /nfs/dbraw/zinc/32/50/72/599325072.db2.gz VPJIVUSCFRVJOZ-UHFFFAOYSA-N -1 1 393.432 2.641 20 30 GFEDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000466268525 599801290 /nfs/dbraw/zinc/80/12/90/599801290.db2.gz ZKQSPVDJIIHVTB-UHFFFAOYSA-N -1 1 382.344 2.967 20 30 GFEDMM COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)C[C@H](C)C(=O)[O-])cc1 ZINC000737917221 600372530 /nfs/dbraw/zinc/37/25/30/600372530.db2.gz FPTYKOIFASCNKJ-ZDUSSCGKSA-N -1 1 398.463 2.565 20 30 GFEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000833073495 601323840 /nfs/dbraw/zinc/32/38/40/601323840.db2.gz CMAOCVOPEHYIDL-NRFANRHFSA-N -1 1 395.434 2.600 20 30 GFEDMM Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832850040 601530500 /nfs/dbraw/zinc/53/05/00/601530500.db2.gz YTZZZSYJFAOTRF-KZULUSFZSA-N -1 1 398.438 2.696 20 30 GFEDMM N#Cc1ccc(CN2CCCN(C(=O)CC[C@@H]3CCCN3C(=O)[O-])CC2)cc1 ZINC000833971259 605395557 /nfs/dbraw/zinc/39/55/57/605395557.db2.gz CFASHQQKPHIENE-IBGZPJMESA-N -1 1 384.480 2.515 20 30 GFEDMM C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2CC)cc1 ZINC000833376412 605417823 /nfs/dbraw/zinc/41/78/23/605417823.db2.gz DWLDMAXXNYMJKR-UHFFFAOYSA-N -1 1 393.421 2.649 20 30 GFEDMM N#CCSc1ccccc1NC(=O)CN1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1 ZINC000833966898 605450158 /nfs/dbraw/zinc/45/01/58/605450158.db2.gz FMCLXAOOXMDWHD-SOUVJXGZSA-N -1 1 388.493 2.609 20 30 GFEDMM CSc1nc(C2CC2)cc(C(=O)Nc2cc(CC#N)ccn2)c1-c1nnn[n-]1 ZINC000821990665 606955588 /nfs/dbraw/zinc/95/55/88/606955588.db2.gz VBFGBQHVOQXECU-UHFFFAOYSA-N -1 1 392.448 2.574 20 30 GFEDMM CSc1nc(C2CC2)cc(C(=O)Nc2cc(CC#N)ccn2)c1-c1nn[n-]n1 ZINC000821990665 606955591 /nfs/dbraw/zinc/95/55/91/606955591.db2.gz VBFGBQHVOQXECU-UHFFFAOYSA-N -1 1 392.448 2.574 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2c[nH]nc2-c2ccccc2F)o1 ZINC000824352622 607887433 /nfs/dbraw/zinc/88/74/33/607887433.db2.gz KRIMLBRAMJGDRZ-UHFFFAOYSA-N -1 1 381.375 2.953 20 30 GFEDMM Cc1nc(C2CCCCC2)sc1C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC000826324098 608569349 /nfs/dbraw/zinc/56/93/49/608569349.db2.gz DLWZMHZECLIPOR-UHFFFAOYSA-N -1 1 383.441 2.526 20 30 GFEDMM CC(C)(C#N)CNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824059267 609411827 /nfs/dbraw/zinc/41/18/27/609411827.db2.gz RFMMIWIRXRXWQN-UHFFFAOYSA-N -1 1 381.465 2.944 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)cc1Cl ZINC000108355635 655131574 /nfs/dbraw/zinc/13/15/74/655131574.db2.gz CBWRHUAINSBJCS-UHFFFAOYSA-N -1 1 375.837 2.905 20 30 GFEDMM CC(N=Nc1ncnc2c1cnn2C)c1cc(Br)c(F)cc1[O-] ZINC000746567165 655763997 /nfs/dbraw/zinc/76/39/97/655763997.db2.gz XDPOMCJTESEXPE-UHFFFAOYSA-N -1 1 379.193 2.807 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1csc(Br)c1 ZINC000748248004 655789094 /nfs/dbraw/zinc/78/90/94/655789094.db2.gz BIEAGPMGBXSHGH-UHFFFAOYSA-N -1 1 390.240 2.731 20 30 GFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1c(Cl)nc2sccn21 ZINC000748255147 655789100 /nfs/dbraw/zinc/78/91/00/655789100.db2.gz NLWBRMCMQKIQEN-UHFFFAOYSA-N -1 1 399.841 2.660 20 30 GFEDMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1nccn1C ZINC000755766221 655888788 /nfs/dbraw/zinc/88/87/88/655888788.db2.gz ZUJJSYUZUFDMCP-UHFFFAOYSA-N -1 1 376.467 2.514 20 30 GFEDMM CCc1nc2c(s1)C(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCC2 ZINC000756830103 655905726 /nfs/dbraw/zinc/90/57/26/655905726.db2.gz VNXOANKBEZVBEF-UHFFFAOYSA-N -1 1 380.451 2.633 20 30 GFEDMM COc1cc(Br)c(C=N[N-]c2[nH+]cnc3[n-]cnc32)c(OC)c1 ZINC000760254930 655973897 /nfs/dbraw/zinc/97/38/97/655973897.db2.gz XGJMZUWXQDMJNS-UHFFFAOYSA-N -1 1 377.202 2.579 20 30 GFEDMM N#Cc1ccc(O)c(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000762473436 656043563 /nfs/dbraw/zinc/04/35/63/656043563.db2.gz LAWKNWIUJBBXJD-UHFFFAOYSA-N -1 1 397.206 2.525 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1sccc1Br ZINC000764908111 656122751 /nfs/dbraw/zinc/12/27/51/656122751.db2.gz IXNZMLBPCMWBMQ-UHFFFAOYSA-N -1 1 390.240 2.731 20 30 GFEDMM CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000768902366 656259811 /nfs/dbraw/zinc/25/98/11/656259811.db2.gz XMOUPBXFYOAJCU-UHFFFAOYSA-N -1 1 375.837 2.921 20 30 GFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br ZINC000770249455 656312036 /nfs/dbraw/zinc/31/20/36/656312036.db2.gz YSBHOVCMZIJRPI-QMMMGPOBSA-N -1 1 380.235 2.618 20 30 GFEDMM Cc1cc(C)n(-c2nncn2N=Cc2cc(C)cc(Br)c2[O-])n1 ZINC000781588215 657065074 /nfs/dbraw/zinc/06/50/74/657065074.db2.gz PXXIBXPXIDRMPM-UHFFFAOYSA-N -1 1 375.230 2.739 20 30 GFEDMM Cc1cc(Br)c([O-])c(C=NNS(=O)(=O)c2ccc(F)cc2)c1 ZINC000781595247 657065920 /nfs/dbraw/zinc/06/59/20/657065920.db2.gz MQMUNUGAGUCKIT-UHFFFAOYSA-N -1 1 387.230 2.915 20 30 GFEDMM Cc1cc(=O)[n-]c(NN=Cc2ccc(Br)cc2N2CCOCC2)n1 ZINC000788693248 657774695 /nfs/dbraw/zinc/77/46/95/657774695.db2.gz IMRSEQYARDACHA-UHFFFAOYSA-N -1 1 392.257 2.536 20 30 GFEDMM O=S1(=O)[N-]C(=NN=Cc2c(Cl)nc3cc(Cl)ccn32)c2ccccc21 ZINC000794891993 658632253 /nfs/dbraw/zinc/63/22/53/658632253.db2.gz ZSBQWVYFCKQYAH-UHFFFAOYSA-N -1 1 394.243 2.714 20 30 GFEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795969571 658877820 /nfs/dbraw/zinc/87/78/20/658877820.db2.gz DMWOJNBPTRFRHW-ZUZCIYMTSA-N -1 1 391.848 2.525 20 30 GFEDMM C#CCONC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000812785261 660034602 /nfs/dbraw/zinc/03/46/02/660034602.db2.gz XYZDHMZUKIXNNX-UHFFFAOYSA-N -1 1 389.205 2.702 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815043309 660106508 /nfs/dbraw/zinc/10/65/08/660106508.db2.gz SXHXDPSPQXXOMR-XPTSAGLGSA-N -1 1 378.809 2.647 20 30 GFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cn2c(Br)cnc2s1 ZINC000815915231 660135703 /nfs/dbraw/zinc/13/57/03/660135703.db2.gz HXOVCCNWJIUYOW-QMMMGPOBSA-N -1 1 390.222 2.514 20 30 GFEDMM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)nc2F)CCCCC1 ZINC000859224907 662146065 /nfs/dbraw/zinc/14/60/65/662146065.db2.gz DSRLCKCYHSHNJC-UHFFFAOYSA-N -1 1 376.251 2.736 20 30 GFEDMM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000859425007 662161771 /nfs/dbraw/zinc/16/17/71/662161771.db2.gz XWSUNLZWGDUZQT-MRVPVSSYSA-N -1 1 386.720 2.871 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C#N)CC(C)C)c1F ZINC000903102815 663773720 /nfs/dbraw/zinc/77/37/20/663773720.db2.gz UOOUMOQYLWTASZ-VIFPVBQESA-N -1 1 379.251 2.813 20 30 GFEDMM CC(C)(C#N)CS(=O)(=O)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000914150510 664379950 /nfs/dbraw/zinc/37/99/50/664379950.db2.gz VVRMTERTPUUTOO-CYBMUJFWSA-N -1 1 384.807 2.559 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C#N)c1F ZINC000914221627 664387492 /nfs/dbraw/zinc/38/74/92/664387492.db2.gz VWXUNQJIYMGING-WCBMZHEXSA-N -1 1 377.235 2.567 20 30 GFEDMM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331607467 563555366 /nfs/dbraw/zinc/55/53/66/563555366.db2.gz VXZDWVPXKBDVHE-GOEBONIOSA-N -1 1 383.832 2.667 20 30 GFEDMM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331607456 563555437 /nfs/dbraw/zinc/55/54/37/563555437.db2.gz VXZDWVPXKBDVHE-GDBMZVCRSA-N -1 1 383.832 2.667 20 30 GFEDMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432783016 563593887 /nfs/dbraw/zinc/59/38/87/563593887.db2.gz ZWSUYJNVOVQSJA-OAQYLSRUSA-N -1 1 399.291 2.859 20 30 GFEDMM CC[C@@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451226644 564289139 /nfs/dbraw/zinc/28/91/39/564289139.db2.gz JLDUYGVQYONJOA-YMTOWFKASA-N -1 1 393.278 2.535 20 30 GFEDMM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CC1 ZINC000451976111 564375062 /nfs/dbraw/zinc/37/50/62/564375062.db2.gz XIWPBTUFKJGNHT-CLAHSXSESA-N -1 1 391.262 2.552 20 30 GFEDMM O=C(NCC#Cc1cccc(F)c1)c1ccc(I)c([O-])c1 ZINC000513937843 564442968 /nfs/dbraw/zinc/44/29/68/564442968.db2.gz LXQJORABJPGDRX-UHFFFAOYSA-N -1 1 395.171 2.917 20 30 GFEDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1cccc(Br)c1 ZINC000557823464 564879023 /nfs/dbraw/zinc/87/90/23/564879023.db2.gz GXDPIFYPCVPWFK-JTQLQIEISA-N -1 1 385.239 2.660 20 30 GFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F ZINC000559139581 564923928 /nfs/dbraw/zinc/92/39/28/564923928.db2.gz FBBCYJVUQFLSDT-NSHDSACASA-N -1 1 377.369 2.605 20 30 GFEDMM C=CC[C@H](CO)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000537019776 565051713 /nfs/dbraw/zinc/05/17/13/565051713.db2.gz SEMNHVNIYCUZOR-QMMMGPOBSA-N -1 1 386.670 2.705 20 30 GFEDMM Cc1cc(Br)cn2cc(CCNC(=O)c3cc([O-])cc(C#N)c3)nc12 ZINC000589203595 565154398 /nfs/dbraw/zinc/15/43/98/565154398.db2.gz MIVVZDWAXKUNMV-UHFFFAOYSA-N -1 1 399.248 2.955 20 30 GFEDMM Cc1cc(Br)cn2cc(CNC(=O)c3cc([O-])cc(C#N)c3)nc12 ZINC000589206339 565156534 /nfs/dbraw/zinc/15/65/34/565156534.db2.gz XEQHRPCRORRZBY-UHFFFAOYSA-N -1 1 385.221 2.913 20 30 GFEDMM N#C[C@]1(NC(=O)c2c([O-])cnc3c(Br)cccc32)CCSC1 ZINC000589309043 565160544 /nfs/dbraw/zinc/16/05/44/565160544.db2.gz DFILZIUICGLXIE-OAHLLOKOSA-N -1 1 378.251 2.832 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000590532417 565190350 /nfs/dbraw/zinc/19/03/50/565190350.db2.gz ZDFUOQLAUYZDRF-UHFFFAOYSA-N -1 1 378.837 2.511 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)N(CCO)Cc2ccc(Br)s2)c1 ZINC000616723949 565206600 /nfs/dbraw/zinc/20/66/00/565206600.db2.gz XRKJXADVZRIRCV-UHFFFAOYSA-N -1 1 381.251 2.723 20 30 GFEDMM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619462472 565342168 /nfs/dbraw/zinc/34/21/68/565342168.db2.gz YRCHLDYWGMCTJV-UHFFFAOYSA-N -1 1 380.809 2.914 20 30 GFEDMM CSc1nc(C)c(CCC(=O)NCc2ccc(C#N)c(Cl)c2)c(=O)[n-]1 ZINC000619763595 565359011 /nfs/dbraw/zinc/35/90/11/565359011.db2.gz LRGTXRCOPQKNMS-UHFFFAOYSA-N -1 1 376.869 2.987 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)cc1Cl ZINC000594485680 565394900 /nfs/dbraw/zinc/39/49/00/565394900.db2.gz BNUCVCKUUYNRTH-ZWNOBZJWSA-N -1 1 382.791 2.990 20 30 GFEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c1F ZINC000594577193 565400831 /nfs/dbraw/zinc/40/08/31/565400831.db2.gz XFXIDDGHYROTLH-HNNXBMFYSA-N -1 1 376.837 2.872 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(Br)cn2)o1 ZINC000735938861 598860486 /nfs/dbraw/zinc/86/04/86/598860486.db2.gz FFIHXGURSSDXQJ-UHFFFAOYSA-N -1 1 377.206 2.582 20 30 GFEDMM CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736465098 599151426 /nfs/dbraw/zinc/15/14/26/599151426.db2.gz AEINAADOKFNAJT-MRXNPFEDSA-N -1 1 389.419 2.565 20 30 GFEDMM C[C@@H](CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccc1C(F)(F)F ZINC000820226035 599313771 /nfs/dbraw/zinc/31/37/71/599313771.db2.gz SLENGCFCXJIJRG-QMMMGPOBSA-N -1 1 390.329 2.613 20 30 GFEDMM N#Cc1[n-]c(NC(=O)C[C@H](Cc2ccccc2)c2ccccc2)nc1-c1nn[nH]n1 ZINC000822814893 599314249 /nfs/dbraw/zinc/31/42/49/599314249.db2.gz KTJCLTRKDMQPPI-INIZCTEOSA-N -1 1 398.430 2.817 20 30 GFEDMM COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000738132393 600306730 /nfs/dbraw/zinc/30/67/30/600306730.db2.gz DMHVBYADKOZYJG-CVEARBPZSA-N -1 1 385.464 2.517 20 30 GFEDMM Cc1cccc(C(=O)N2CCCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738681948 600563685 /nfs/dbraw/zinc/56/36/85/600563685.db2.gz KFGFOLFEUNHKSQ-HXUWFJFHSA-N -1 1 377.444 2.841 20 30 GFEDMM C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000264498881 600815218 /nfs/dbraw/zinc/81/52/18/600815218.db2.gz KRONPDCYWQMKAV-LLVKDONJSA-N -1 1 379.463 2.918 20 30 GFEDMM N#Cc1c(NC(=O)CCN2CC[C@](F)(C(=O)[O-])C2)sc2c1CCCCC2 ZINC000833067937 601448785 /nfs/dbraw/zinc/44/87/85/601448785.db2.gz JVUASSJHLJRCFB-GOSISDBHSA-N -1 1 379.457 2.716 20 30 GFEDMM C=CCn1c(=O)c2ccsc2nc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000823937231 607539608 /nfs/dbraw/zinc/53/96/08/607539608.db2.gz NHMIJKKXPSZRBX-UHFFFAOYSA-N -1 1 383.462 2.511 20 30 GFEDMM C=CCn1c(=O)c2ccsc2nc1SCc1ccnc(-c2nn[n-]n2)c1 ZINC000823937231 607539609 /nfs/dbraw/zinc/53/96/09/607539609.db2.gz NHMIJKKXPSZRBX-UHFFFAOYSA-N -1 1 383.462 2.511 20 30 GFEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738492895 602381503 /nfs/dbraw/zinc/38/15/03/602381503.db2.gz VIBQMWQODDWGRA-OAHLLOKOSA-N -1 1 379.526 2.973 20 30 GFEDMM CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825106828 607608675 /nfs/dbraw/zinc/60/86/75/607608675.db2.gz JHAPWOWFOHJNCO-UHFFFAOYSA-N -1 1 396.904 2.861 20 30 GFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000743264233 604991139 /nfs/dbraw/zinc/99/11/39/604991139.db2.gz IWKWDWYXTNECLC-UHFFFAOYSA-N -1 1 383.784 2.990 20 30 GFEDMM C[C@@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000819877275 606113553 /nfs/dbraw/zinc/11/35/53/606113553.db2.gz SBZRIIPVUXTOHF-ZCFIWIBFSA-N -1 1 377.195 2.510 20 30 GFEDMM CN1CC(=Cc2ccc(C#N)s2)C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000821620792 606386782 /nfs/dbraw/zinc/38/67/82/606386782.db2.gz VYLYVCIECOQKRI-TWTKIJFOSA-N -1 1 394.485 2.843 20 30 GFEDMM N#Cc1cc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)ccc1F ZINC000822818531 607009169 /nfs/dbraw/zinc/00/91/69/607009169.db2.gz BUMQCCIGQOIPJI-UHFFFAOYSA-N -1 1 380.770 2.894 20 30 GFEDMM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826104562 608092024 /nfs/dbraw/zinc/09/20/24/608092024.db2.gz ZGFZIHHTWBCGKQ-OFSNVTPPSA-N -1 1 384.417 2.765 20 30 GFEDMM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826104562 608092025 /nfs/dbraw/zinc/09/20/25/608092025.db2.gz ZGFZIHHTWBCGKQ-OFSNVTPPSA-N -1 1 384.417 2.765 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2NC(=O)OC(C)(C)C)o1 ZINC000824352410 608289046 /nfs/dbraw/zinc/28/90/46/608289046.db2.gz COGRWWHIZRFKPQ-JTQLQIEISA-N -1 1 390.448 2.823 20 30 GFEDMM CC(C)S(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000052025246 654732320 /nfs/dbraw/zinc/73/23/20/654732320.db2.gz WICUUWNMDLNWBH-UHFFFAOYSA-N -1 1 378.475 2.682 20 30 GFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 ZINC000066587721 654908347 /nfs/dbraw/zinc/90/83/47/654908347.db2.gz WFQBROXSEBWTLJ-UHFFFAOYSA-N -1 1 381.475 2.846 20 30 GFEDMM CC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1nc(C(F)(F)F)cs1 ZINC000277125710 655304496 /nfs/dbraw/zinc/30/44/96/655304496.db2.gz ZSGHMCNWTXMEPQ-QMMMGPOBSA-N -1 1 376.385 2.858 20 30 GFEDMM C#CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000734150766 655627031 /nfs/dbraw/zinc/62/70/31/655627031.db2.gz PSKDNJWDUUOEET-UHFFFAOYSA-N -1 1 380.809 2.739 20 30 GFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnc2ccsc2c1 ZINC000748248340 655789068 /nfs/dbraw/zinc/78/90/68/655789068.db2.gz LOZDXXDORWWJGD-UHFFFAOYSA-N -1 1 376.419 2.907 20 30 GFEDMM Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000754259270 655865704 /nfs/dbraw/zinc/86/57/04/655865704.db2.gz QDXLPGTWACCOBL-UHFFFAOYSA-N -1 1 394.250 2.529 20 30 GFEDMM COc1c([O-])c(C=NN2C(=S)N=NC2c2cccs2)ccc1[N+](=O)[O-] ZINC000773028697 656397178 /nfs/dbraw/zinc/39/71/78/656397178.db2.gz QUOLGFAFNQWRJH-UHFFFAOYSA-N -1 1 377.407 2.800 20 30 GFEDMM N#C[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1cccc(Br)c1 ZINC000774090431 656490585 /nfs/dbraw/zinc/49/05/85/656490585.db2.gz HBQVEMQTTYOBAC-LBPRGKRZSA-N -1 1 388.250 2.775 20 30 GFEDMM O=S1(=O)[N-]C(=NN=Cc2c(F)cccc2Br)c2ccccc21 ZINC000794492843 658550768 /nfs/dbraw/zinc/55/07/68/658550768.db2.gz ZOXNKXWXVOJLBJ-UHFFFAOYSA-N -1 1 382.214 2.661 20 30 GFEDMM COc1ccc(N=C2NN=C(CC[N-]C(=O)C(F)(F)F)CS2)cc1F ZINC000864344373 662367621 /nfs/dbraw/zinc/36/76/21/662367621.db2.gz STBIMKVOABSCPH-UHFFFAOYSA-N -1 1 378.351 2.583 20 30 GFEDMM C#CCC1([N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CCOCC1 ZINC000885842964 663098965 /nfs/dbraw/zinc/09/89/65/663098965.db2.gz LNSVEBPBLKVDQQ-UHFFFAOYSA-N -1 1 382.791 2.605 20 30 GFEDMM C=CCOC(=O)c1sc([N-]C(=O)c2cnsn2)c(C(=O)OCC)c1C ZINC000918562391 664501066 /nfs/dbraw/zinc/50/10/66/664501066.db2.gz HRVYCYJLSFVRKK-UHFFFAOYSA-N -1 1 381.435 2.680 20 30 GFEDMM C[C@@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000192128163 552552262 /nfs/dbraw/zinc/55/22/62/552552262.db2.gz HTIAQOKCNZXBLT-NSHDSACASA-N -1 1 384.866 2.827 20 30 GFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1F ZINC000192128324 552552532 /nfs/dbraw/zinc/55/25/32/552552532.db2.gz MDUKMKBMDUURSO-GFCCVEGCSA-N -1 1 382.438 2.621 20 30 GFEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000451904377 564364373 /nfs/dbraw/zinc/36/43/73/564364373.db2.gz AWWVYJGYNWEBLA-NEPJUHHUSA-N -1 1 382.226 2.739 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCS2)cc1Br ZINC000331346045 563546376 /nfs/dbraw/zinc/54/63/76/563546376.db2.gz VVTVVGIPIKUUKO-SECBINFHSA-N -1 1 379.276 2.634 20 30 GFEDMM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)no1 ZINC000289493779 563675756 /nfs/dbraw/zinc/67/57/56/563675756.db2.gz KAOUBBNXUAZDHR-SNVBAGLBSA-N -1 1 384.845 2.559 20 30 GFEDMM N#C[C@H]1CSCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000291681135 563753756 /nfs/dbraw/zinc/75/37/56/563753756.db2.gz MYDSRGSRWYRQDC-VIFPVBQESA-N -1 1 378.251 2.784 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CCC2CCOCC2)cc1Br ZINC000451199914 564286631 /nfs/dbraw/zinc/28/66/31/564286631.db2.gz IHIZEIJZXCKVNA-UHFFFAOYSA-N -1 1 391.262 2.555 20 30 GFEDMM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451334378 564301761 /nfs/dbraw/zinc/30/17/61/564301761.db2.gz AUMBQRNPQPURKL-SNVBAGLBSA-N -1 1 393.278 2.535 20 30 GFEDMM C=CCOc1cccc([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)c1 ZINC000451367754 564305914 /nfs/dbraw/zinc/30/59/14/564305914.db2.gz MXWZVQWLZJCLHB-ZDUSSCGKSA-N -1 1 381.372 2.877 20 30 GFEDMM C=CCC(C)(C)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451576626 564328678 /nfs/dbraw/zinc/32/86/78/564328678.db2.gz BSUACMDUURPTTC-UHFFFAOYSA-N -1 1 392.518 2.858 20 30 GFEDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000528543542 564792216 /nfs/dbraw/zinc/79/22/16/564792216.db2.gz AICDDMYLXKFTHH-XULOGPSESA-N -1 1 391.262 2.550 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)NCCc2ccc(I)s2)c1 ZINC000614368464 565109298 /nfs/dbraw/zinc/10/92/98/565109298.db2.gz QSSISENMBGAVDP-UHFFFAOYSA-N -1 1 398.225 2.902 20 30 GFEDMM CC[C@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000592081850 565254513 /nfs/dbraw/zinc/25/45/13/565254513.db2.gz DQADCAIUCWDEMI-ONGXEEELSA-N -1 1 393.278 2.535 20 30 GFEDMM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000593621268 565347545 /nfs/dbraw/zinc/34/75/45/565347545.db2.gz XHLDFUOZJXMCEC-UHFFFAOYSA-N -1 1 388.243 2.720 20 30 GFEDMM C=CCOCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000594851127 565429470 /nfs/dbraw/zinc/42/94/70/565429470.db2.gz YDHIBSFKIRNDFC-UHFFFAOYSA-N -1 1 382.265 2.651 20 30 GFEDMM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000611113917 566115274 /nfs/dbraw/zinc/11/52/74/566115274.db2.gz QTPHOTHDVOUJSJ-SNVBAGLBSA-N -1 1 376.232 2.574 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2c(Cl)n(C)nc2-c2ccccc2)o1 ZINC000737466768 599156962 /nfs/dbraw/zinc/15/69/62/599156962.db2.gz CIRVWPSEZJNVAC-UHFFFAOYSA-N -1 1 383.803 2.663 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCC(C)(C)[C@H](C[N+](=O)[O-])c2ccccc2)o1 ZINC000822423881 607325914 /nfs/dbraw/zinc/32/59/14/607325914.db2.gz QEKVKBXESPRIRX-CYBMUJFWSA-N -1 1 384.400 2.648 20 30 GFEDMM N#Cc1cccc(OCCn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)c1 ZINC000737730269 598721555 /nfs/dbraw/zinc/72/15/55/598721555.db2.gz HVAANQRWTVRFLG-UHFFFAOYSA-N -1 1 392.806 2.786 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000822534835 599522615 /nfs/dbraw/zinc/52/26/15/599522615.db2.gz AOXLPIUMZDWTRW-GFCCVEGCSA-N -1 1 387.403 2.922 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000822534835 599522617 /nfs/dbraw/zinc/52/26/17/599522617.db2.gz AOXLPIUMZDWTRW-GFCCVEGCSA-N -1 1 387.403 2.922 20 30 GFEDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000609069373 599801361 /nfs/dbraw/zinc/80/13/61/599801361.db2.gz UXYAOMOITOLJJS-UHFFFAOYSA-N -1 1 382.344 2.967 20 30 GFEDMM N#CC(C(=O)c1cccc(NC(=O)[O-])c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000739073970 600056367 /nfs/dbraw/zinc/05/63/67/600056367.db2.gz GHRVQXCOUUXKDH-AWEZNQCLSA-N -1 1 389.375 2.777 20 30 GFEDMM C[C@H](CN(C)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C(=O)[O-] ZINC000736571720 600365533 /nfs/dbraw/zinc/36/55/33/600365533.db2.gz MWEAZOLYYVLCMA-OAHLLOKOSA-N -1 1 394.475 2.819 20 30 GFEDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000827379268 601093275 /nfs/dbraw/zinc/09/32/75/601093275.db2.gz FEUHRGYXFGKSNF-MRXNPFEDSA-N -1 1 392.459 2.923 20 30 GFEDMM CCN1CCN(c2ccc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)CC1 ZINC000829780840 601354709 /nfs/dbraw/zinc/35/47/09/601354709.db2.gz MABHHSRLEQRJQC-HXUWFJFHSA-N -1 1 393.443 2.683 20 30 GFEDMM Cc1cc[nH]c2nc([C@H](C#N)C(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)nc1-2 ZINC000832859595 601500853 /nfs/dbraw/zinc/50/08/53/601500853.db2.gz UHBWGPOQRMPBRH-CQSZACIVSA-N -1 1 378.388 2.837 20 30 GFEDMM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828425293 601512694 /nfs/dbraw/zinc/51/26/94/601512694.db2.gz YMEJIRABPZUASI-LALPHHSUSA-N -1 1 375.494 2.868 20 30 GFEDMM Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c1C#N ZINC000832849322 601917170 /nfs/dbraw/zinc/91/71/70/601917170.db2.gz CUILWAFDERLZCD-OAQYLSRUSA-N -1 1 398.438 2.840 20 30 GFEDMM C=CCOc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000823932184 607653633 /nfs/dbraw/zinc/65/36/33/607653633.db2.gz RNAGPVDZACHGEC-UHFFFAOYSA-N -1 1 392.824 2.853 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1C ZINC000830342249 604191730 /nfs/dbraw/zinc/19/17/30/604191730.db2.gz WWSGJAXINOJGFI-ZWKOTPCHSA-N -1 1 386.496 2.918 20 30 GFEDMM N#C[C@H](C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000831066087 604226164 /nfs/dbraw/zinc/22/61/64/604226164.db2.gz VCKHSPMAEVJLBJ-NWDGAFQWSA-N -1 1 392.362 2.767 20 30 GFEDMM N#CC1(NC(=O)Cc2cccc(NC(=O)[O-])c2)CCN(Cc2ccccc2)CC1 ZINC000833962966 605415756 /nfs/dbraw/zinc/41/57/56/605415756.db2.gz CTPUEMLINKTENE-UHFFFAOYSA-N -1 1 392.459 2.994 20 30 GFEDMM N#CC(C(=O)CC[C@H]1CCN(C(=O)[O-])C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000833961809 605488500 /nfs/dbraw/zinc/48/85/00/605488500.db2.gz VFHNLPJZSCCCLM-CMPLNLGQSA-N -1 1 381.791 2.907 20 30 GFEDMM N#Cc1c(NC(=O)CCN2CC[C@H](NC(=O)[O-])C2)sc2c1CCCCC2 ZINC000740311182 605915995 /nfs/dbraw/zinc/91/59/95/605915995.db2.gz ODKSHVRHLSEGGQ-LBPRGKRZSA-N -1 1 376.482 2.559 20 30 GFEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC000819782471 606034008 /nfs/dbraw/zinc/03/40/08/606034008.db2.gz MHKQJUFJZXKXNG-MHZLTWQESA-N -1 1 387.469 2.726 20 30 GFEDMM C[C@@H]1CC(NC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)=NO1 ZINC000824893830 608207973 /nfs/dbraw/zinc/20/79/73/608207973.db2.gz VIVYNEWLTQKZQZ-SNVBAGLBSA-N -1 1 382.355 2.650 20 30 GFEDMM C[C@@H]1CC(NC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)=NO1 ZINC000824893830 608207974 /nfs/dbraw/zinc/20/79/74/608207974.db2.gz VIVYNEWLTQKZQZ-SNVBAGLBSA-N -1 1 382.355 2.650 20 30 GFEDMM N#Cc1ccc(CN(Cc2cccc(F)c2)c2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826384905 608401854 /nfs/dbraw/zinc/40/18/54/608401854.db2.gz OVGCCJBKFAPONU-UHFFFAOYSA-N -1 1 386.394 2.874 20 30 GFEDMM N#Cc1ccc(CN(Cc2cccc(F)c2)c2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826384905 608401857 /nfs/dbraw/zinc/40/18/57/608401857.db2.gz OVGCCJBKFAPONU-UHFFFAOYSA-N -1 1 386.394 2.874 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cn(C)nc2-c2cccs2)o1 ZINC000824280603 608749220 /nfs/dbraw/zinc/74/92/20/608749220.db2.gz QDAYGWNXVRGIBB-UHFFFAOYSA-N -1 1 397.468 2.961 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(Br)cc2F)o1 ZINC000819782239 660269832 /nfs/dbraw/zinc/26/98/32/660269832.db2.gz IWNJYDKBPITKMI-UHFFFAOYSA-N -1 1 380.181 2.901 20 30 GFEDMM N#CCC1(CS(=O)(=O)[N-]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000830618601 660667575 /nfs/dbraw/zinc/66/75/75/660667575.db2.gz DEGAJYNLTBIALD-CQSZACIVSA-N -1 1 396.818 2.703 20 30 GFEDMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000055578603 654777947 /nfs/dbraw/zinc/77/79/47/654777947.db2.gz BFXPSVDMLOEQSU-UHFFFAOYSA-N -1 1 377.853 2.691 20 30 GFEDMM CNS(=O)(=O)c1cccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)c1 ZINC000128104513 654841154 /nfs/dbraw/zinc/84/11/54/654841154.db2.gz AYJWSCQDQULPAN-FNORWQNLSA-N -1 1 396.262 2.959 20 30 GFEDMM N#CC[C@H](NC(=O)c1ccc(I)c([O-])c1)C(F)(F)F ZINC000928806081 664740243 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GFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000748253103 655789061 /nfs/dbraw/zinc/78/90/61/655789061.db2.gz JWQLAKQLANBCCT-UHFFFAOYSA-N -1 1 376.419 2.907 20 30 GFEDMM CS(=O)(=O)c1ccccc1NN=Cc1cc(O)cc(Br)c1[O-] ZINC000755724989 655887716 /nfs/dbraw/zinc/88/77/16/655887716.db2.gz CSVMWWBLBNDPAY-UHFFFAOYSA-N -1 1 385.239 2.710 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CSCCc2ccccc21 ZINC000759205695 655950635 /nfs/dbraw/zinc/95/06/35/655950635.db2.gz QWAIFMRTGZMHQZ-UHFFFAOYSA-N -1 1 377.447 2.567 20 30 GFEDMM N#Cc1cccc(CS(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766206062 656165118 /nfs/dbraw/zinc/16/51/18/656165118.db2.gz DNEQPTWHICEMFF-UHFFFAOYSA-N -1 1 381.251 2.646 20 30 GFEDMM CS(=O)(=O)c1cccc(NN=Cc2cc(O)c([O-])c(Br)c2)c1 ZINC000776261823 656723929 /nfs/dbraw/zinc/72/39/29/656723929.db2.gz RNGFUIDQPCPMSK-UHFFFAOYSA-N -1 1 385.239 2.710 20 30 GFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)C1CCOCC1 ZINC000851829563 661836001 /nfs/dbraw/zinc/83/60/01/661836001.db2.gz 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SUYIOFXGLWKIEB-QZTJIDSGSA-N -1 1 386.496 2.918 20 30 GFEDMM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000819740219 606843266 /nfs/dbraw/zinc/84/32/66/606843266.db2.gz UTWVNQNBCXGFBY-UHFFFAOYSA-N -1 1 379.461 2.763 20 30 GFEDMM C=C(C)[C@@H](CC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)OCC ZINC000823874455 607920302 /nfs/dbraw/zinc/92/03/02/607920302.db2.gz XDEYMEAXNXVHNP-QGZVFWFLSA-N -1 1 396.451 2.775 20 30 GFEDMM N#Cc1cccc(OCCNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826386967 609278412 /nfs/dbraw/zinc/27/84/12/609278412.db2.gz AARYJLOUINTQBJ-UHFFFAOYSA-N -1 1 390.382 2.554 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000007055346 654461861 /nfs/dbraw/zinc/46/18/61/654461861.db2.gz SQGFZIOQNKNQRJ-UHFFFAOYSA-N -1 1 384.198 2.964 20 30 GFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)ccc1Cl ZINC000055579448 654777941 /nfs/dbraw/zinc/77/79/41/654777941.db2.gz AZBFEIJAHVBPGS-UHFFFAOYSA-N -1 1 375.837 2.905 20 30 GFEDMM N#CCOc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000067950786 654950406 /nfs/dbraw/zinc/95/04/06/654950406.db2.gz LNEFMQRGRFKXIQ-UHFFFAOYSA-N -1 1 381.797 2.629 20 30 GFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000151736043 655053853 /nfs/dbraw/zinc/05/38/53/655053853.db2.gz VQOQAUSGRZSEQC-GFCCVEGCSA-N -1 1 389.165 2.713 20 30 GFEDMM COC1(CS(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)CCOCC1 ZINC000593205374 655512202 /nfs/dbraw/zinc/51/22/02/655512202.db2.gz HEARGLMPVJNNHI-UHFFFAOYSA-N -1 1 378.372 2.514 20 30 GFEDMM O=c1nc(C=N[O-])ccn1Cc1ncc(-c2ccccc2Br)o1 ZINC000742358119 655717334 /nfs/dbraw/zinc/71/73/34/655717334.db2.gz AEECOBSQOHALMF-UHFFFAOYSA-N -1 1 375.182 2.517 20 30 GFEDMM O=C([N-][C@H]1CCC[C@H](CNC(=O)C(F)(F)C(F)F)C1)C(F)(F)C(F)F ZINC000749388515 655804019 /nfs/dbraw/zinc/80/40/19/655804019.db2.gz YBVYXNYBTXVGGE-BQBZGAKWSA-N -1 1 384.267 2.578 20 30 GFEDMM CN(C(=O)COC(=O)c1ccc(Br)c([O-])c1)C1(C#N)CCCCC1 ZINC000750552509 655815220 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Cn1ncc2c1nc(N=NC1CCCc3cc(Br)ccc31)[n-]c2=O ZINC000794511891 658554943 /nfs/dbraw/zinc/55/49/43/658554943.db2.gz LAXRFINYKFGBPQ-UHFFFAOYSA-N -1 1 387.241 2.984 20 30 GFEDMM COc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c(Br)c1 ZINC000794890447 658632099 /nfs/dbraw/zinc/63/20/99/658632099.db2.gz BQDLQUZTVCAJSP-UHFFFAOYSA-N -1 1 394.250 2.530 20 30 GFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C)cnc1Br ZINC000812322779 660023817 /nfs/dbraw/zinc/02/38/17/660023817.db2.gz FJECXSRDXVLOGQ-UHFFFAOYSA-N -1 1 382.239 2.834 20 30 GFEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)CC#N)c(F)cc1Cl ZINC000841542624 661294925 /nfs/dbraw/zinc/29/49/25/661294925.db2.gz NDJPJYIXTBSNRF-UHFFFAOYSA-N -1 1 376.837 2.874 20 30 GFEDMM C=CCCS(=O)(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000867734811 662571016 /nfs/dbraw/zinc/57/10/16/662571016.db2.gz FTHNRWVGTXZMQS-LBPRGKRZSA-N -1 1 376.400 2.565 20 30 GFEDMM CCOC(=O)C1=C(C(=O)C(C)C)[C@@H](c2ccc([O-])c(Cl)c2)NC(=S)N1 ZINC000921298985 664540617 /nfs/dbraw/zinc/54/06/17/664540617.db2.gz USYUFBVWZXQSDP-CYBMUJFWSA-N -1 1 382.869 2.607 20 30 GFEDMM N#CCC[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000487333367 677673202 /nfs/dbraw/zinc/67/32/02/677673202.db2.gz DDBVYEOCSPAZKF-UHFFFAOYSA-N -1 1 386.040 2.543 20 30 GFEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(I)cc2)c1 ZINC000044286643 551143424 /nfs/dbraw/zinc/14/34/24/551143424.db2.gz UFKRJBGMTWGZKB-UHFFFAOYSA-N -1 1 384.198 2.964 20 30 GFEDMM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000121768052 551242303 /nfs/dbraw/zinc/24/23/03/551242303.db2.gz XUGQKROTSQVIHP-LLVKDONJSA-N -1 1 376.232 2.574 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)c1 ZINC000153971460 551464194 /nfs/dbraw/zinc/46/41/94/551464194.db2.gz ACMXDSKLFAUGLL-UHFFFAOYSA-N -1 1 395.238 2.612 20 30 GFEDMM C=C(C)[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)c1ccc(F)c(F)c1 ZINC000186130606 552380167 /nfs/dbraw/zinc/38/01/67/552380167.db2.gz CYZZDSUIDFJOGC-LBPRGKRZSA-N -1 1 388.417 2.804 20 30 GFEDMM N#Cc1ccc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1[O-] ZINC000188773314 552455214 /nfs/dbraw/zinc/45/52/14/552455214.db2.gz WBZTZLXNJPCAPU-LBPRGKRZSA-N -1 1 381.215 2.740 20 30 GFEDMM COC(=O)c1c[n-]c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1 ZINC000278656489 563264809 /nfs/dbraw/zinc/26/48/09/563264809.db2.gz MVIGMQHMMFCLFT-UHFFFAOYSA-N -1 1 378.841 2.889 20 30 GFEDMM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)o1 ZINC000298342203 563352034 /nfs/dbraw/zinc/35/20/34/563352034.db2.gz QXMXJLRWYCOYPJ-UHFFFAOYSA-N -1 1 379.463 2.594 20 30 GFEDMM N#Cc1ccccc1S(=O)(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000388218329 563520689 /nfs/dbraw/zinc/52/06/89/563520689.db2.gz WBXVEKLMPYLXNX-UHFFFAOYSA-N -1 1 381.207 2.820 20 30 GFEDMM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000333125411 563621465 /nfs/dbraw/zinc/62/14/65/563621465.db2.gz VYFHTRZMPAFZPN-NSHDSACASA-N -1 1 379.276 2.632 20 30 GFEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000435585400 563653596 /nfs/dbraw/zinc/65/35/96/563653596.db2.gz RSUSRKHKKNKWBX-YMTOWFKASA-N -1 1 396.253 2.987 20 30 GFEDMM COc1cc(-c2noc(C3(C#N)CCOCC3)n2)cc(Br)c1[O-] ZINC000350614956 563675522 /nfs/dbraw/zinc/67/55/22/563675522.db2.gz ZFLNFOJGKOJFGN-UHFFFAOYSA-N -1 1 380.198 2.785 20 30 GFEDMM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000508117598 564254557 /nfs/dbraw/zinc/25/45/57/564254557.db2.gz NCJXVPNGGHWBEB-GFCCVEGCSA-N -1 1 399.669 2.839 20 30 GFEDMM COCCC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451267266 564293258 /nfs/dbraw/zinc/29/32/58/564293258.db2.gz HZWYBAMBBINZLJ-UHFFFAOYSA-N -1 1 379.251 2.553 20 30 GFEDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H]1CCCOC1 ZINC000451383257 564307518 /nfs/dbraw/zinc/30/75/18/564307518.db2.gz KMBYDIJTDIRBFT-UWVGGRQHSA-N -1 1 391.262 2.553 20 30 GFEDMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)c2=O ZINC000512028889 564389211 /nfs/dbraw/zinc/38/92/11/564389211.db2.gz RPBOEZNJDSVGBX-LBPRGKRZSA-N -1 1 376.203 2.975 20 30 GFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc(C)cc1Br ZINC000464413246 564906303 /nfs/dbraw/zinc/90/63/03/564906303.db2.gz YLWASNIIAQZLHZ-UHFFFAOYSA-N -1 1 382.239 2.834 20 30 GFEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1SCCC#N)C1CCOCC1 ZINC000592351103 565270937 /nfs/dbraw/zinc/27/09/37/565270937.db2.gz UNIOQBWLQBBYEZ-MRXNPFEDSA-N -1 1 384.523 2.876 20 30 GFEDMM N#Cc1cc([N-]S(=O)(=O)CCCC2CCOCC2)ncc1Br ZINC000592382091 565272526 /nfs/dbraw/zinc/27/25/26/565272526.db2.gz HPYQCUAKSAGMAN-UHFFFAOYSA-N -1 1 388.287 2.664 20 30 GFEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(I)ccc1O ZINC000593210196 565320910 /nfs/dbraw/zinc/32/09/10/565320910.db2.gz NLGSCCRJASUTCS-UHFFFAOYSA-N -1 1 394.234 2.678 20 30 GFEDMM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593529913 565337458 /nfs/dbraw/zinc/33/74/58/565337458.db2.gz HNXCAKNUDDIXQW-UHFFFAOYSA-N -1 1 376.507 2.562 20 30 GFEDMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(SC)cc1 ZINC000593544026 565339411 /nfs/dbraw/zinc/33/94/11/565339411.db2.gz SYDAHYNXSGLMOZ-CYBMUJFWSA-N -1 1 396.515 2.924 20 30 GFEDMM C=CCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccccc1Br ZINC000594844255 565428493 /nfs/dbraw/zinc/42/84/93/565428493.db2.gz UKFPVRRKRDGZKU-CYBMUJFWSA-N -1 1 376.272 2.549 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCc3c2cc(Br)cc3F)o1 ZINC000737467872 598512830 /nfs/dbraw/zinc/51/28/30/598512830.db2.gz UQHUQWRTXHJPSN-UHFFFAOYSA-N -1 1 392.192 2.827 20 30 GFEDMM C=CCNC(=O)[C@H](C)Sc1nc2c(c(-c3ccco3)c1-c1nn[n-]n1)CCC2 ZINC000735431836 598772063 /nfs/dbraw/zinc/77/20/63/598772063.db2.gz JEWUBMNBYRUGDS-NSHDSACASA-N -1 1 396.476 2.793 20 30 GFEDMM NC(=NOCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(N2CCCCC2)cc1 ZINC000833078770 601056545 /nfs/dbraw/zinc/05/65/45/601056545.db2.gz PKGBRXGJKVQNAB-UHFFFAOYSA-N -1 1 396.447 2.651 20 30 GFEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000833074253 601310729 /nfs/dbraw/zinc/31/07/29/601310729.db2.gz STVPSKLNNWUODW-IBGZPJMESA-N -1 1 381.407 2.671 20 30 GFEDMM C#CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000730996904 601840742 /nfs/dbraw/zinc/84/07/42/601840742.db2.gz ZZNHABBIBIEKBD-UHFFFAOYSA-N -1 1 383.784 2.990 20 30 GFEDMM N#CC(C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)c1ccc2ccccc2n1 ZINC000740304104 602213203 /nfs/dbraw/zinc/21/32/03/602213203.db2.gz QIGHBVJOUBKYEO-OAHLLOKOSA-N -1 1 390.403 2.631 20 30 GFEDMM O=C([O-])Nc1ccc(C=NNc2nc(-c3ccccn3)nc3c2CCC3)cn1 ZINC000832840288 603487709 /nfs/dbraw/zinc/48/77/09/603487709.db2.gz GGMVUWQEYDIDFX-UHFFFAOYSA-N -1 1 375.392 2.958 20 30 GFEDMM N#CCSc1ccccc1NC(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000831109704 603558107 /nfs/dbraw/zinc/55/81/07/603558107.db2.gz QVKDDHKLYOVRJK-UHFFFAOYSA-N -1 1 388.493 2.848 20 30 GFEDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000825256720 604209709 /nfs/dbraw/zinc/20/97/09/604209709.db2.gz ZXENQUKHULSALB-HRCADAONSA-N -1 1 390.459 2.829 20 30 GFEDMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2CC#Cc1ccccc1Cl ZINC000826295107 607716344 /nfs/dbraw/zinc/71/63/44/607716344.db2.gz RNJVWBDCNCCHPI-UHFFFAOYSA-N -1 1 376.807 2.590 20 30 GFEDMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000833833139 605905622 /nfs/dbraw/zinc/90/56/22/605905622.db2.gz WJZIKUYHUGHTCC-ZIAGYGMSSA-N -1 1 378.860 2.565 20 30 GFEDMM CCOC(=O)[C@@H]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C[C@H]1C ZINC000825499797 607964882 /nfs/dbraw/zinc/96/48/82/607964882.db2.gz USSRIRHVLOSRCA-ZYHUDNBSSA-N -1 1 375.433 2.745 20 30 GFEDMM CCOC(=O)[C@@H]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C[C@@H]1C ZINC000825499794 607964944 /nfs/dbraw/zinc/96/49/44/607964944.db2.gz USSRIRHVLOSRCA-CMPLNLGQSA-N -1 1 375.433 2.745 20 30 GFEDMM C[C@H]1CCC[C@@H](OCCCCCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1 ZINC000824927585 608385538 /nfs/dbraw/zinc/38/55/38/608385538.db2.gz PRHOLZUHBBLQQX-QWHCGFSZSA-N -1 1 386.460 2.556 20 30 GFEDMM C=CC[C@H](CO)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823888670 608561745 /nfs/dbraw/zinc/56/17/45/608561745.db2.gz SWMDJCQFKXXSSU-ZDUSSCGKSA-N -1 1 397.410 2.713 20 30 GFEDMM C=CC[C@H](CO)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823888670 608561747 /nfs/dbraw/zinc/56/17/47/608561747.db2.gz SWMDJCQFKXXSSU-ZDUSSCGKSA-N -1 1 397.410 2.713 20 30 GFEDMM CC(Nc1sc(C)c(C)c1C#N)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000010383530 654492130 /nfs/dbraw/zinc/49/21/30/654492130.db2.gz RHVISGBDNOKOMB-RAXLEYEMSA-N -1 1 376.507 2.822 20 30 GFEDMM C[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000125914846 654805203 /nfs/dbraw/zinc/80/52/03/654805203.db2.gz UTFGACBKFBZAJW-JTQLQIEISA-N -1 1 381.816 2.922 20 30 GFEDMM N#Cc1cccnc1NCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000107657102 655123338 /nfs/dbraw/zinc/12/33/38/655123338.db2.gz NHRVZGFFZXZCHT-UHFFFAOYSA-N -1 1 377.278 2.712 20 30 GFEDMM N#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000726262978 655532623 /nfs/dbraw/zinc/53/26/23/655532623.db2.gz XRRRNDPIVCIMAL-UHFFFAOYSA-N -1 1 381.816 2.923 20 30 GFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCSc3ccccc32)cc1 ZINC000746492531 655762586 /nfs/dbraw/zinc/76/25/86/655762586.db2.gz XZILDOSEYBQPNP-UHFFFAOYSA-N -1 1 377.447 2.914 20 30 GFEDMM N#Cc1ccc(O)c(NC(=O)c2cccc(I)c2[O-])c1 ZINC000755623460 655886412 /nfs/dbraw/zinc/88/64/12/655886412.db2.gz PFUOCYKOLAYGKH-UHFFFAOYSA-N -1 1 380.141 2.826 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2[N+](=O)[O-])c(=O)o1 ZINC000767717564 656216601 /nfs/dbraw/zinc/21/66/01/656216601.db2.gz BDTAKYJJWUKXBP-PKXJPQMGSA-N -1 1 380.150 2.586 20 30 GFEDMM Cn1cnc(S(=O)(=O)[N-][C@H](C#N)c2cccc(C(F)(F)F)c2)c1Cl ZINC000770730152 656328623 /nfs/dbraw/zinc/32/86/23/656328623.db2.gz SEFBMEGCQZARQY-SNVBAGLBSA-N -1 1 378.763 2.635 20 30 GFEDMM Cc1cc(Br)c([O-])c(C=NNS(=O)(=O)CCc2ccccc2)c1 ZINC000781592752 657065257 /nfs/dbraw/zinc/06/52/57/657065257.db2.gz JMCUPQIEEXSCPW-UHFFFAOYSA-N -1 1 397.294 2.959 20 30 GFEDMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)c(C#N)c2)cc1C(=O)[O-] ZINC000790388351 657966199 /nfs/dbraw/zinc/96/61/99/657966199.db2.gz FIHXLOJQOOMOTM-UHFFFAOYSA-N -1 1 384.772 2.858 20 30 GFEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000797842076 659059146 /nfs/dbraw/zinc/05/91/46/659059146.db2.gz USYDOYKRYVJGHM-JOYOIKCWSA-N -1 1 395.706 2.757 20 30 GFEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809842911 659948350 /nfs/dbraw/zinc/94/83/50/659948350.db2.gz IZRYVFCHALKRAE-YMTOWFKASA-N -1 1 378.809 2.647 20 30 GFEDMM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000841567113 661304277 /nfs/dbraw/zinc/30/42/77/661304277.db2.gz PIFSWHGUTMFWBS-AWEZNQCLSA-N -1 1 398.326 2.957 20 30 GFEDMM N#CC(=C([O-])c1cc(Br)cn2ccnc12)c1nnc2n1CCCCC2 ZINC000870163317 662677339 /nfs/dbraw/zinc/67/73/39/662677339.db2.gz XKVVATGRHILKBN-ZDUSSCGKSA-N -1 1 399.252 2.905 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-]CC2(C#N)CCC2)c1F ZINC000916424992 664460409 /nfs/dbraw/zinc/46/04/09/664460409.db2.gz NWDKVHBAJOQMHM-UHFFFAOYSA-N -1 1 377.235 2.569 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C#N)c1F ZINC000917249970 664478995 /nfs/dbraw/zinc/47/89/95/664478995.db2.gz GSCBCZDESAIKIJ-MWLCHTKSSA-N -1 1 391.262 2.957 20 30 GFEDMM CSc1nc(C)c(CCC(=O)N[C@@H](C#N)c2ccccc2Cl)c(=O)[n-]1 ZINC000172033523 551668964 /nfs/dbraw/zinc/66/89/64/551668964.db2.gz JKENRSLXYRXFPB-AWEZNQCLSA-N -1 1 376.869 2.767 20 30 GFEDMM Cc1cc(Br)c([O-])c(NC(=O)CNC(=O)c2ccc(C#N)cc2)c1 ZINC000183599700 552313902 /nfs/dbraw/zinc/31/39/02/552313902.db2.gz FTEQJEUZUPJMOI-UHFFFAOYSA-N -1 1 388.221 2.703 20 30 GFEDMM N#Cc1ccc(C(=O)NCCc2ccc(I)s2)cc1[O-] ZINC000188010301 552431002 /nfs/dbraw/zinc/43/10/02/552431002.db2.gz BNYYGNBMLINXPE-UHFFFAOYSA-N -1 1 398.225 2.902 20 30 GFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)ccc1F ZINC000192127961 552552282 /nfs/dbraw/zinc/55/22/82/552552282.db2.gz HIDGCIJRLZJWEL-GFCCVEGCSA-N -1 1 382.438 2.621 20 30 GFEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000192129551 552552431 /nfs/dbraw/zinc/55/24/31/552552431.db2.gz CFLYWHJSGBREJN-LBPRGKRZSA-N -1 1 382.438 2.621 20 30 GFEDMM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000295807316 563263006 /nfs/dbraw/zinc/26/30/06/563263006.db2.gz TUDXORJOYKJHNU-ONGXEEELSA-N -1 1 388.243 2.718 20 30 GFEDMM C=CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000427791213 563475382 /nfs/dbraw/zinc/47/53/82/563475382.db2.gz VWMOWZWRGHXHAS-UHFFFAOYSA-N -1 1 381.479 2.590 20 30 GFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)ccc1Cl ZINC000435128319 563643293 /nfs/dbraw/zinc/64/32/93/563643293.db2.gz CROOLOHUKVHXKJ-CYBMUJFWSA-N -1 1 375.837 2.616 20 30 GFEDMM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443310499 563800323 /nfs/dbraw/zinc/80/03/23/563800323.db2.gz JNTCFSKLSSUNJM-UHFFFAOYSA-N -1 1 381.410 2.806 20 30 GFEDMM CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000539238081 564214149 /nfs/dbraw/zinc/21/41/49/564214149.db2.gz BIRODBNIURGPGV-UHFFFAOYSA-N -1 1 398.893 2.751 20 30 GFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cc(C3CCOCC3)n[nH]2)c(Cl)c1 ZINC000450982452 564259011 /nfs/dbraw/zinc/25/90/11/564259011.db2.gz SWRNSHDUBWSBDL-UHFFFAOYSA-N -1 1 380.857 2.824 20 30 GFEDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(CC#N)cc3Cl)CCCC2)no1 ZINC000451044517 564267059 /nfs/dbraw/zinc/26/70/59/564267059.db2.gz BPZFXZVCLWOLRW-UHFFFAOYSA-N -1 1 380.857 2.845 20 30 GFEDMM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)O1 ZINC000451419863 564311218 /nfs/dbraw/zinc/31/12/18/564311218.db2.gz MBRQXXZMEGRUJQ-JTQLQIEISA-N -1 1 391.262 2.696 20 30 GFEDMM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451472702 564317380 /nfs/dbraw/zinc/31/73/80/564317380.db2.gz LNVQTOGXMOOKAS-AWEZNQCLSA-N -1 1 390.502 2.707 20 30 GFEDMM COC1(CC[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1 ZINC000451585213 564329137 /nfs/dbraw/zinc/32/91/37/564329137.db2.gz VVWRYAHPMHDLKT-UHFFFAOYSA-N -1 1 391.262 2.697 20 30 GFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(Cl)cc1Cl ZINC000544104208 564375566 /nfs/dbraw/zinc/37/55/66/564375566.db2.gz HFQQSOPCLJQZQK-ZDUSSCGKSA-N -1 1 379.265 2.821 20 30 GFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C[S@](C)=O)c2)n1 ZINC000518670804 564559760 /nfs/dbraw/zinc/55/97/60/564559760.db2.gz LWARRIHNOOVLSN-CANCMXDXSA-N -1 1 376.459 2.688 20 30 GFEDMM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000485099884 564606799 /nfs/dbraw/zinc/60/67/99/564606799.db2.gz LVSLHKRNPDLCKT-UHFFFAOYSA-N -1 1 376.459 2.765 20 30 GFEDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CSc1ccc(C#N)cc1 ZINC000536940120 565050649 /nfs/dbraw/zinc/05/06/49/565050649.db2.gz YUWLMOSAIOSDHP-UHFFFAOYSA-N -1 1 379.438 2.800 20 30 GFEDMM CC(=O)CCCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000632416548 566030440 /nfs/dbraw/zinc/03/04/40/566030440.db2.gz WOXFJOVHKHEACA-UHFFFAOYSA-N -1 1 391.262 2.888 20 30 GFEDMM C=CCCn1cc(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)nn1 ZINC000632635788 566052342 /nfs/dbraw/zinc/05/23/42/566052342.db2.gz MCGMFFFYNBYSBV-UHFFFAOYSA-N -1 1 375.281 2.948 20 30 GFEDMM CN1CC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000820620333 597606397 /nfs/dbraw/zinc/60/63/97/597606397.db2.gz JYQWTSINOKVDMG-PZPSRYQVSA-N -1 1 381.835 2.593 20 30 GFEDMM N#Cc1[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)nc1-c1nn[nH]n1 ZINC000737706718 598430683 /nfs/dbraw/zinc/43/06/83/598430683.db2.gz YMYXALZSRLBYKD-DTWKUNHWSA-N -1 1 389.206 2.510 20 30 GFEDMM Cc1nn(-c2ccccc2)c(COc2ccc(C#N)c(F)c2)c1-c1nn[n-]n1 ZINC000737504413 598549204 /nfs/dbraw/zinc/54/92/04/598549204.db2.gz XKPMVTKJDKTSGL-UHFFFAOYSA-N -1 1 375.367 2.951 20 30 GFEDMM N#Cc1ccccc1N1CCCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000737727339 598575800 /nfs/dbraw/zinc/57/58/00/598575800.db2.gz JLWCPISRMVSYAC-UHFFFAOYSA-N -1 1 380.843 2.503 20 30 GFEDMM N#Cc1ccccc1N1CCCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000737727339 598575801 /nfs/dbraw/zinc/57/58/01/598575801.db2.gz JLWCPISRMVSYAC-UHFFFAOYSA-N -1 1 380.843 2.503 20 30 GFEDMM C=CCN(CC1CCCCC1)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000735419320 598758189 /nfs/dbraw/zinc/75/81/89/598758189.db2.gz RQGLWDYEWKDEEX-UHFFFAOYSA-N -1 1 388.497 2.898 20 30 GFEDMM N#Cc1[n-]c(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)nc1-c1nn[nH]n1 ZINC000822815290 599314862 /nfs/dbraw/zinc/31/48/62/599314862.db2.gz OJTXSEAUXQXILS-ZJUUUORDSA-N -1 1 389.206 2.510 20 30 GFEDMM COc1ccc(F)cc1CN1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738018276 600562375 /nfs/dbraw/zinc/56/23/75/600562375.db2.gz YOGBLUSACXWEHJ-FQEVSTJZSA-N -1 1 383.423 2.649 20 30 GFEDMM COc1ccc(C)cc1CN1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000737976101 600562546 /nfs/dbraw/zinc/56/25/46/600562546.db2.gz OVPSXYDVOUUTFI-OAQYLSRUSA-N -1 1 379.460 2.819 20 30 GFEDMM Cc1cc[nH]c2nc([C@@H](C#N)C(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)nc1-2 ZINC000832859592 601500857 /nfs/dbraw/zinc/50/08/57/601500857.db2.gz UHBWGPOQRMPBRH-AWEZNQCLSA-N -1 1 378.388 2.837 20 30 GFEDMM C[C@H](NC(=O)[O-])[C@H]1CCCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000739012731 602263107 /nfs/dbraw/zinc/26/31/07/602263107.db2.gz WCSXJQBIVZCYJT-JLJPHGGASA-N -1 1 393.447 2.734 20 30 GFEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738490779 602399665 /nfs/dbraw/zinc/39/96/65/602399665.db2.gz BDZMNRPWOFBWGZ-CVEARBPZSA-N -1 1 379.526 2.973 20 30 GFEDMM N#Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(Cl)c1 ZINC000826385935 607581152 /nfs/dbraw/zinc/58/11/52/607581152.db2.gz IBISECHPGPVFJK-UHFFFAOYSA-N -1 1 396.215 2.813 20 30 GFEDMM N#Cc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(Cl)c1 ZINC000826385935 607581154 /nfs/dbraw/zinc/58/11/54/607581154.db2.gz IBISECHPGPVFJK-UHFFFAOYSA-N -1 1 396.215 2.813 20 30 GFEDMM N#CCc1cccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c1 ZINC000831109779 603735686 /nfs/dbraw/zinc/73/56/86/603735686.db2.gz UJVVPEZOYKSZRQ-UHFFFAOYSA-N -1 1 376.376 2.558 20 30 GFEDMM N#CCc1cccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)c1 ZINC000831109779 603735689 /nfs/dbraw/zinc/73/56/89/603735689.db2.gz UJVVPEZOYKSZRQ-UHFFFAOYSA-N -1 1 376.376 2.558 20 30 GFEDMM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826256614 607648875 /nfs/dbraw/zinc/64/88/75/607648875.db2.gz RSYGBZUGJNHLNG-UHFFFAOYSA-N -1 1 389.824 2.776 20 30 GFEDMM Cc1cc(C#N)cc(C)c1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826256614 607648876 /nfs/dbraw/zinc/64/88/76/607648876.db2.gz RSYGBZUGJNHLNG-UHFFFAOYSA-N -1 1 389.824 2.776 20 30 GFEDMM C[C@H](NC(=O)[O-])[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000825256721 604209601 /nfs/dbraw/zinc/20/96/01/604209601.db2.gz ZXENQUKHULSALB-JYJNAYRXSA-N -1 1 390.459 2.829 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)cc1 ZINC000830342200 604257073 /nfs/dbraw/zinc/25/70/73/604257073.db2.gz WIAJHUJGWPHWNR-FGTMMUONSA-N -1 1 386.496 2.998 20 30 GFEDMM C#CC[C@H](NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000833360133 605133392 /nfs/dbraw/zinc/13/33/92/605133392.db2.gz DJZXTMYKPSPSMH-FPOVZHCZSA-N -1 1 389.455 2.634 20 30 GFEDMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c(C)n1-c1ccc(C#N)cc1 ZINC000822184667 606652049 /nfs/dbraw/zinc/65/20/49/606652049.db2.gz ZBGXHWXBETWRCA-UHFFFAOYSA-N -1 1 399.414 2.898 20 30 GFEDMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c(C)n1-c1ccc(C#N)cc1 ZINC000822184667 606652050 /nfs/dbraw/zinc/65/20/50/606652050.db2.gz ZBGXHWXBETWRCA-UHFFFAOYSA-N -1 1 399.414 2.898 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2NC(=O)OC(C)(C)C)o1 ZINC000824352411 608289182 /nfs/dbraw/zinc/28/91/82/608289182.db2.gz COGRWWHIZRFKPQ-SNVBAGLBSA-N -1 1 390.448 2.823 20 30 GFEDMM N#Cc1c(-c2nn[n-]n2)ncn1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000826382980 660453451 /nfs/dbraw/zinc/45/34/51/660453451.db2.gz DPRHIIINLZCNQS-UHFFFAOYSA-N -1 1 397.613 2.534 20 30 GFEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000832348932 660774648 /nfs/dbraw/zinc/77/46/48/660774648.db2.gz UPJYCENAWQCZPM-KOLCDFICSA-N -1 1 381.237 2.914 20 30 GFEDMM O=c1nc(NN=C2CCCCc3ccc(Br)cc32)nc2[nH][n-]cc1-2 ZINC000834956733 660837926 /nfs/dbraw/zinc/83/79/26/660837926.db2.gz PFVZFWUWMUEOAC-UHFFFAOYSA-N -1 1 387.241 2.737 20 30 GFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(I)c1 ZINC000107877703 655125676 /nfs/dbraw/zinc/12/56/76/655125676.db2.gz ZBERVMIOLWIJFP-VIFPVBQESA-N -1 1 397.197 2.709 20 30 GFEDMM COc1ccc(Cl)cc1C(C)=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000748255433 655789072 /nfs/dbraw/zinc/78/90/72/655789072.db2.gz ULKWBMWCTLDHGY-UHFFFAOYSA-N -1 1 383.813 2.959 20 30 GFEDMM Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=Nn1c(=O)cn[n-]c1=S ZINC000766482235 656172839 /nfs/dbraw/zinc/17/28/39/656172839.db2.gz HBLWLPDKQBFCKZ-UHFFFAOYSA-N -1 1 381.248 2.610 20 30 GFEDMM C=CCCOCC[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000841510840 661280554 /nfs/dbraw/zinc/28/05/54/661280554.db2.gz JCHULQPVLKLNEN-UHFFFAOYSA-N -1 1 379.837 2.527 20 30 GFEDMM COC(=O)c1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)c(Br)c1 ZINC000785853532 657390842 /nfs/dbraw/zinc/39/08/42/657390842.db2.gz SJSXXMDMJNKWLQ-UHFFFAOYSA-N -1 1 389.205 2.743 20 30 GFEDMM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C ZINC000805147452 659751326 /nfs/dbraw/zinc/75/13/26/659751326.db2.gz YDPLLURMECPSQB-GFCCVEGCSA-N -1 1 375.244 2.684 20 30 GFEDMM N#CC1(CS(=O)(=O)[N-]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)CCC1 ZINC000809819310 659942370 /nfs/dbraw/zinc/94/23/70/659942370.db2.gz PGBCWJLNJOQXBQ-CQSZACIVSA-N -1 1 396.818 2.703 20 30 GFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(Cl)cc1 ZINC000810098821 659961383 /nfs/dbraw/zinc/96/13/83/659961383.db2.gz AAMXLGHPTGJOJH-CQSZACIVSA-N -1 1 375.793 2.773 20 30 GFEDMM C#CCONC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000812782015 660034458 /nfs/dbraw/zinc/03/44/58/660034458.db2.gz LZFMJCIPDJOIHB-UHFFFAOYSA-N -1 1 378.837 2.744 20 30 GFEDMM Cc1cc2c(c(Br)c1)NC(=O)C2=NN=c1[n-]c(-c2cccnc2)no1 ZINC000814948670 660099061 /nfs/dbraw/zinc/09/90/61/660099061.db2.gz ZGPBPHBMJFUTMS-UHFFFAOYSA-N -1 1 399.208 2.971 20 30 GFEDMM Cc1cc2c(c(Br)c1)NC(=O)C2=NN=c1nc(-c2cccnc2)[n-]o1 ZINC000814948670 660099067 /nfs/dbraw/zinc/09/90/67/660099067.db2.gz ZGPBPHBMJFUTMS-UHFFFAOYSA-N -1 1 399.208 2.971 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccccc2I)c(=O)o1 ZINC000916137397 664451645 /nfs/dbraw/zinc/45/16/45/664451645.db2.gz RJAYFEZPBYNGTR-LMVHVUTASA-N -1 1 382.153 2.519 20 30 GFEDMM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000153979449 551464666 /nfs/dbraw/zinc/46/46/66/551464666.db2.gz ZQCFFEJLVUXFKS-UHFFFAOYSA-N -1 1 394.250 2.529 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000375636909 563412494 /nfs/dbraw/zinc/41/24/94/563412494.db2.gz VZJWBCKTWBHHCP-UHFFFAOYSA-N -1 1 376.459 2.609 20 30 GFEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)CC1CCC(C)(C)CC1 ZINC000329890181 563490657 /nfs/dbraw/zinc/49/06/57/563490657.db2.gz FVRMWSTYMVRUAQ-UHFFFAOYSA-N -1 1 389.543 2.998 20 30 GFEDMM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451263508 564293349 /nfs/dbraw/zinc/29/33/49/564293349.db2.gz RBASPRHBBMKTIC-MWLCHTKSSA-N -1 1 393.278 2.535 20 30 GFEDMM CS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1Cl ZINC000475788502 564319947 /nfs/dbraw/zinc/31/99/47/564319947.db2.gz HYHBUBKKVIAUIG-UHFFFAOYSA-N -1 1 384.866 2.610 20 30 GFEDMM CC[C@](C)(C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)OC ZINC000451800172 564352957 /nfs/dbraw/zinc/35/29/57/564352957.db2.gz ZOIXCVARYCGARX-CYBMUJFWSA-N -1 1 379.251 2.553 20 30 GFEDMM COc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000547971851 564526596 /nfs/dbraw/zinc/52/65/96/564526596.db2.gz OZQVWKPENNMOPI-UHFFFAOYSA-N -1 1 379.825 2.844 20 30 GFEDMM Cc1ccc(Cl)cc1N1CC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000571309593 564545542 /nfs/dbraw/zinc/54/55/42/564545542.db2.gz JXXBLTYTTSKZIE-CYBMUJFWSA-N -1 1 379.869 2.918 20 30 GFEDMM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000576591695 564716604 /nfs/dbraw/zinc/71/66/04/564716604.db2.gz SMJMVKMATBELNN-LBPRGKRZSA-N -1 1 381.292 2.902 20 30 GFEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc([S@@](C)=O)cc1 ZINC000534408220 564988234 /nfs/dbraw/zinc/98/82/34/564988234.db2.gz RHVCNWVKVAYJLB-VKTRGTBVSA-N -1 1 384.429 2.613 20 30 GFEDMM N#CC1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)C1 ZINC000590489346 565189086 /nfs/dbraw/zinc/18/90/86/565189086.db2.gz PCWMBAIHFAYCFJ-UHFFFAOYSA-N -1 1 375.837 2.736 20 30 GFEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N)[C@H]1CCOC1 ZINC000594694302 565407574 /nfs/dbraw/zinc/40/75/74/565407574.db2.gz ILXLRSRZGSBUBN-OFQRWUPVSA-N -1 1 384.523 2.732 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(Br)cn2)o1 ZINC000735850800 598860716 /nfs/dbraw/zinc/86/07/16/598860716.db2.gz IUQUUCBIZIFXIH-UHFFFAOYSA-N -1 1 391.233 2.657 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCC(C)(C)[C@@H](C[N+](=O)[O-])c2ccccc2)o1 ZINC000822423886 607326107 /nfs/dbraw/zinc/32/61/07/607326107.db2.gz QEKVKBXESPRIRX-ZDUSSCGKSA-N -1 1 384.400 2.648 20 30 GFEDMM N#Cc1[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)nc1-c1nn[nH]n1 ZINC000737704039 598528899 /nfs/dbraw/zinc/52/88/99/598528899.db2.gz CWOZRHOSVKEVKG-JGVFFNPUSA-N -1 1 389.206 2.510 20 30 GFEDMM N#Cc1ccccc1N1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000822842624 599514614 /nfs/dbraw/zinc/51/46/14/599514614.db2.gz QUFNPBACCXYPIT-UHFFFAOYSA-N -1 1 382.431 2.613 20 30 GFEDMM N#Cc1ccccc1N1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000822842624 599514615 /nfs/dbraw/zinc/51/46/15/599514615.db2.gz QUFNPBACCXYPIT-UHFFFAOYSA-N -1 1 382.431 2.613 20 30 GFEDMM C=CCC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734232 607390074 /nfs/dbraw/zinc/39/00/74/607390074.db2.gz KNUPGDSBFKORDC-KRWDZBQOSA-N -1 1 387.440 2.992 20 30 GFEDMM CCOc1cc(C(=O)[C@@H](C#N)c2nc3[nH]ccc(C)c-3n2)ccc1OCC(=O)[O-] ZINC000830027138 601143072 /nfs/dbraw/zinc/14/30/72/601143072.db2.gz NPOGRLIPPDKPAL-CYBMUJFWSA-N -1 1 394.387 2.619 20 30 GFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000825625994 601333004 /nfs/dbraw/zinc/33/30/04/601333004.db2.gz SEDMJGJPHBAOGF-YHYXMXQVSA-N -1 1 375.377 2.736 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c(F)c1 ZINC000833069702 601984810 /nfs/dbraw/zinc/98/48/10/601984810.db2.gz MTAKZFUFNMWHGU-ZDUSSCGKSA-N -1 1 386.763 2.594 20 30 GFEDMM Cc1cc(N(CCC#N)C(=O)CN(C)C2CCN(C(=O)[O-])CC2)ccc1Cl ZINC000830072456 604347788 /nfs/dbraw/zinc/34/77/88/604347788.db2.gz FMYHLZZAWSRUKB-UHFFFAOYSA-N -1 1 392.887 2.969 20 30 GFEDMM Cc1[nH]c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000833739564 605411246 /nfs/dbraw/zinc/41/12/46/605411246.db2.gz FOOFAJKIQHRSJO-UHFFFAOYSA-N -1 1 380.448 2.618 20 30 GFEDMM CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C#N ZINC000825545395 607761852 /nfs/dbraw/zinc/76/18/52/607761852.db2.gz RDJXNJFOZAKLOQ-UHFFFAOYSA-N -1 1 383.393 2.621 20 30 GFEDMM CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C#N ZINC000825545395 607761853 /nfs/dbraw/zinc/76/18/53/607761853.db2.gz RDJXNJFOZAKLOQ-UHFFFAOYSA-N -1 1 383.393 2.621 20 30 GFEDMM N#Cc1ccc(COC(=O)c2sccc2-c2nn[n-]n2)c(OC(F)F)c1 ZINC000822825470 606559595 /nfs/dbraw/zinc/55/95/95/606559595.db2.gz HADDLRXAZQEEOL-UHFFFAOYSA-N -1 1 377.332 2.758 20 30 GFEDMM Cc1cc(C)n(N=Cc2ccc(Cl)c3cccnc23)c(=O)c1-c1nn[n-]n1 ZINC000822198696 607146920 /nfs/dbraw/zinc/14/69/20/607146920.db2.gz GXOIFRWTURFSIM-UHFFFAOYSA-N -1 1 379.811 2.729 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc(-n3cccn3)c2)o1 ZINC000819966056 607148315 /nfs/dbraw/zinc/14/83/15/607148315.db2.gz USJVSHXCOUFHQM-UHFFFAOYSA-N -1 1 377.412 2.784 20 30 GFEDMM C=CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccc(OC)cc1 ZINC000823937046 607895025 /nfs/dbraw/zinc/89/50/25/607895025.db2.gz GCTIMQGCEMQFFT-UHFFFAOYSA-N -1 1 392.448 2.866 20 30 GFEDMM C=CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccc(OC)cc1 ZINC000823937046 607895026 /nfs/dbraw/zinc/89/50/26/607895026.db2.gz GCTIMQGCEMQFFT-UHFFFAOYSA-N -1 1 392.448 2.866 20 30 GFEDMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(CC#N)cc2)c1-c1nn[n-]n1 ZINC000826332947 607978656 /nfs/dbraw/zinc/97/86/56/607978656.db2.gz NZLBQOILFBARSF-UHFFFAOYSA-N -1 1 399.414 2.784 20 30 GFEDMM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826104563 608092094 /nfs/dbraw/zinc/09/20/94/608092094.db2.gz ZGFZIHHTWBCGKQ-UIJKISKDSA-N -1 1 384.417 2.765 20 30 GFEDMM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826104563 608092095 /nfs/dbraw/zinc/09/20/95/608092095.db2.gz ZGFZIHHTWBCGKQ-UIJKISKDSA-N -1 1 384.417 2.765 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCOc3cc(Br)ccc32)o1 ZINC000826323286 608389265 /nfs/dbraw/zinc/38/92/65/608389265.db2.gz YJWCYBYPPSKNCB-UHFFFAOYSA-N -1 1 390.201 2.524 20 30 GFEDMM C=CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccccc1C ZINC000823937412 608434001 /nfs/dbraw/zinc/43/40/01/608434001.db2.gz WRVWXXAPMARUKK-UHFFFAOYSA-N -1 1 377.437 2.561 20 30 GFEDMM C=CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccccc1C ZINC000823937412 608434002 /nfs/dbraw/zinc/43/40/02/608434002.db2.gz WRVWXXAPMARUKK-UHFFFAOYSA-N -1 1 377.437 2.561 20 30 GFEDMM N#CCc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000826382848 609488789 /nfs/dbraw/zinc/48/87/89/609488789.db2.gz XRZQTNQLSCKIPA-UHFFFAOYSA-N -1 1 376.807 2.949 20 30 GFEDMM CSC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000830754127 660677996 /nfs/dbraw/zinc/67/79/96/660677996.db2.gz AFLREDNWNZKKRT-UHFFFAOYSA-N -1 1 381.292 2.880 20 30 GFEDMM CCc1cc(C#N)c([N-]C(=O)c2nc3ncc(Br)cn3n2)s1 ZINC000098105434 655040241 /nfs/dbraw/zinc/04/02/41/655040241.db2.gz RGZHGMULMXYUQS-UHFFFAOYSA-N -1 1 377.227 2.635 20 30 GFEDMM C#C[C@H](CC)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000770378934 656317677 /nfs/dbraw/zinc/31/76/77/656317677.db2.gz MFVHGMZOLAYVJH-ZCFIWIBFSA-N -1 1 393.646 2.639 20 30 GFEDMM COc1c(Br)cccc1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000774360362 656523165 /nfs/dbraw/zinc/52/31/65/656523165.db2.gz CQOOJRIFJCDWAG-UHFFFAOYSA-N -1 1 394.250 2.530 20 30 GFEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1c[nH]c2ccc(Br)cc2c1=O ZINC000799865689 659236849 /nfs/dbraw/zinc/23/68/49/659236849.db2.gz KWDZKPWFBGFTJR-UHFFFAOYSA-N -1 1 388.225 2.931 20 30 GFEDMM O=c1cn[n-]c(=S)n1N=Cc1cc(C(F)(F)F)ccc1Br ZINC000811649662 660013989 /nfs/dbraw/zinc/01/39/89/660013989.db2.gz UHJOCTVWDIOXPX-UHFFFAOYSA-N -1 1 379.161 2.591 20 30 GFEDMM C[S@](=O)(=NS(=O)(=O)[N-][C@H]1CCc2cc(C#N)ccc21)C1CCCCC1 ZINC000882135858 663017976 /nfs/dbraw/zinc/01/79/76/663017976.db2.gz INZUPPHNHKWFAN-BXKMTCNYSA-N -1 1 381.523 2.810 20 30 GFEDMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1NC(C)=O ZINC000055616068 551173330 /nfs/dbraw/zinc/17/33/30/551173330.db2.gz SZHAAQGONUVWGG-UHFFFAOYSA-N -1 1 379.825 2.979 20 30 GFEDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C2CC2)n1 ZINC000122272275 551296506 /nfs/dbraw/zinc/29/65/06/551296506.db2.gz CYJKGDPWUXWHSS-AWEZNQCLSA-N -1 1 378.435 2.661 20 30 GFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)c[nH]c1=O ZINC000180069249 552212142 /nfs/dbraw/zinc/21/21/42/552212142.db2.gz BYRNNVPKXSYHTP-UHFFFAOYSA-N -1 1 377.731 2.720 20 30 GFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1 ZINC000425186947 563408569 /nfs/dbraw/zinc/40/85/69/563408569.db2.gz CHQBHUUCSSPHHY-WCBMZHEXSA-N -1 1 377.249 2.751 20 30 GFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Br ZINC000324048688 563451430 /nfs/dbraw/zinc/45/14/30/563451430.db2.gz UBTKRWFTUWTMJV-UHFFFAOYSA-N -1 1 395.234 2.893 20 30 GFEDMM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000333125410 563621220 /nfs/dbraw/zinc/62/12/20/563621220.db2.gz VYFHTRZMPAFZPN-LLVKDONJSA-N -1 1 379.276 2.632 20 30 GFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)ccc1Cl ZINC000435128320 563642957 /nfs/dbraw/zinc/64/29/57/563642957.db2.gz CROOLOHUKVHXKJ-ZDUSSCGKSA-N -1 1 375.837 2.616 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000367162586 563834109 /nfs/dbraw/zinc/83/41/09/563834109.db2.gz CSFNTNVNDQALDG-UHFFFAOYSA-N -1 1 379.482 2.702 20 30 GFEDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)c1 ZINC000508099769 564253563 /nfs/dbraw/zinc/25/35/63/564253563.db2.gz ZCORRDJWKYAJHL-UHFFFAOYSA-N -1 1 395.234 2.908 20 30 GFEDMM C[C@H]1CCCN(S(=O)(=O)[N-]c2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000541126458 564266954 /nfs/dbraw/zinc/26/69/54/564266954.db2.gz SJCROLQNNUPMQG-LBPRGKRZSA-N -1 1 379.873 2.786 20 30 GFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1NC(N)=O ZINC000474307570 564274067 /nfs/dbraw/zinc/27/40/67/564274067.db2.gz AUYDDRGBNCEQCB-UHFFFAOYSA-N -1 1 380.813 2.512 20 30 GFEDMM CO[C@@](C)(C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CC1 ZINC000451567866 564326891 /nfs/dbraw/zinc/32/68/91/564326891.db2.gz PCGGOXNBQLTJDE-AWEZNQCLSA-N -1 1 391.262 2.553 20 30 GFEDMM C=CCC1(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCC1 ZINC000451951121 564371944 /nfs/dbraw/zinc/37/19/44/564371944.db2.gz JYBJAQOLJXDQTB-UHFFFAOYSA-N -1 1 390.502 2.612 20 30 GFEDMM Cc1ccc(Cl)cc1N1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000571309594 564545455 /nfs/dbraw/zinc/54/54/55/564545455.db2.gz JXXBLTYTTSKZIE-ZDUSSCGKSA-N -1 1 379.869 2.918 20 30 GFEDMM N#Cc1c(Br)cccc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000572784277 564609796 /nfs/dbraw/zinc/60/97/96/564609796.db2.gz XPPRDYHFLGYIJS-UHFFFAOYSA-N -1 1 399.197 2.959 20 30 GFEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000620317743 565378634 /nfs/dbraw/zinc/37/86/34/565378634.db2.gz ZCKUDWDVDKFYMA-TXEJJXNPSA-N -1 1 389.304 2.981 20 30 GFEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N)[C@H]1CCOC1 ZINC000594695005 565408070 /nfs/dbraw/zinc/40/80/70/565408070.db2.gz PIFRHWKFZNJNMJ-OFQRWUPVSA-N -1 1 384.523 2.874 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)c(F)c1 ZINC000594819458 565424902 /nfs/dbraw/zinc/42/49/02/565424902.db2.gz REDTVYWLFFPLPA-CQSZACIVSA-N -1 1 380.363 2.866 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)c(F)c1 ZINC000594819457 565425315 /nfs/dbraw/zinc/42/53/15/565425315.db2.gz REDTVYWLFFPLPA-AWEZNQCLSA-N -1 1 380.363 2.866 20 30 GFEDMM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000595393964 565472591 /nfs/dbraw/zinc/47/25/91/565472591.db2.gz ZIHTWSRCLXUEMZ-SNVBAGLBSA-N -1 1 391.262 2.553 20 30 GFEDMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)c1ccc(C#N)nc1 ZINC000737281451 598990858 /nfs/dbraw/zinc/99/08/58/598990858.db2.gz ZEQPMZIGWQFXJA-UHFFFAOYSA-N -1 1 398.386 2.881 20 30 GFEDMM CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736465097 599151566 /nfs/dbraw/zinc/15/15/66/599151566.db2.gz AEINAADOKFNAJT-INIZCTEOSA-N -1 1 389.419 2.565 20 30 GFEDMM C#CCOc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)cc1 ZINC000735380633 598494404 /nfs/dbraw/zinc/49/44/04/598494404.db2.gz KKFLSWCQNGDKQP-UHFFFAOYSA-N -1 1 388.387 2.823 20 30 GFEDMM C#CCOc1ccc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)cc1 ZINC000735380633 598494405 /nfs/dbraw/zinc/49/44/05/598494405.db2.gz KKFLSWCQNGDKQP-UHFFFAOYSA-N -1 1 388.387 2.823 20 30 GFEDMM COc1cc(CN2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc(OC)c1 ZINC000831996192 601323766 /nfs/dbraw/zinc/32/37/66/601323766.db2.gz SWMZMYHTGCKWNV-NRFANRHFSA-N -1 1 395.459 2.519 20 30 GFEDMM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000828425294 601512716 /nfs/dbraw/zinc/51/27/16/601512716.db2.gz YMEJIRABPZUASI-TYNCELHUSA-N -1 1 375.494 2.868 20 30 GFEDMM N#Cc1ccc(Cl)cc1NC(=O)CN(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000740315590 601934570 /nfs/dbraw/zinc/93/45/70/601934570.db2.gz MWFPCLPMXLWYMO-UHFFFAOYSA-N -1 1 376.844 2.757 20 30 GFEDMM Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c1C#N ZINC000832849349 601940599 /nfs/dbraw/zinc/94/05/99/601940599.db2.gz DTJNVUNVRDDQNS-OAQYLSRUSA-N -1 1 398.438 2.840 20 30 GFEDMM COc1cc(CN2CC[C@@H](NC(=O)[O-])C2)ccc1OCc1cccc(C#N)c1 ZINC000739861140 604431841 /nfs/dbraw/zinc/43/18/41/604431841.db2.gz ULBFDOQAPQMEBJ-GOSISDBHSA-N -1 1 381.432 2.988 20 30 GFEDMM C[C@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000833833133 605904709 /nfs/dbraw/zinc/90/47/09/605904709.db2.gz WJZIKUYHUGHTCC-KBPBESRZSA-N -1 1 378.860 2.565 20 30 GFEDMM CC(=O)C1=C(c2ccc(C)cc2)NC(=S)N[C@@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000819781949 606394340 /nfs/dbraw/zinc/39/43/40/606394340.db2.gz FLAWXGUZVVYTIS-MRXNPFEDSA-N -1 1 396.501 2.756 20 30 GFEDMM Cc1cc(C)n(N=Cc2c[nH]nc2-c2cccc(Cl)c2)c(=O)c1-c1nn[n-]n1 ZINC000826265224 607885513 /nfs/dbraw/zinc/88/55/13/607885513.db2.gz QMEDRYHCITWTNP-UHFFFAOYSA-N -1 1 394.826 2.571 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc([C@@H]3CCCO3)s2)o1 ZINC000824141435 607887511 /nfs/dbraw/zinc/88/75/11/607887511.db2.gz HEQPYMRTRVEDSE-JTQLQIEISA-N -1 1 388.457 2.906 20 30 GFEDMM CCOC(=O)[C@H]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)[C@H](C)C1 ZINC000825498709 608053898 /nfs/dbraw/zinc/05/38/98/608053898.db2.gz AZSRYIUTVVLGKV-MNOVXSKESA-N -1 1 375.433 2.745 20 30 GFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1S(C)(=O)=O ZINC000125948232 654805914 /nfs/dbraw/zinc/80/59/14/654805914.db2.gz BBLCVZIURIIFAI-UHFFFAOYSA-N -1 1 384.866 2.724 20 30 GFEDMM C#CCSCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160826224 655124464 /nfs/dbraw/zinc/12/44/64/655124464.db2.gz UZDGUPCDNMMHTB-UHFFFAOYSA-N -1 1 386.695 2.886 20 30 GFEDMM C=CCn1c(Cc2csc(NC(=O)COCC(F)(F)F)n2)n[n-]c1=S ZINC000117125617 655260392 /nfs/dbraw/zinc/26/03/92/655260392.db2.gz XICBIDKJEQJLRT-UHFFFAOYSA-N -1 1 393.416 2.691 20 30 GFEDMM CSc1nc(C)c(CCC(=O)OC[C@H](C#N)Cc2cccs2)c(=O)[n-]1 ZINC000180111485 655322063 /nfs/dbraw/zinc/32/20/63/655322063.db2.gz CEJZMIALNCFYQF-LBPRGKRZSA-N -1 1 377.491 2.720 20 30 GFEDMM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000579362920 655498342 /nfs/dbraw/zinc/49/83/42/655498342.db2.gz XYUHKXKFKKMJIP-RNCFNFMXSA-N -1 1 393.278 2.535 20 30 GFEDMM C#CCSCCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000751228985 655823395 /nfs/dbraw/zinc/82/33/95/655823395.db2.gz WMBALUFESSVILN-UHFFFAOYSA-N -1 1 383.445 2.939 20 30 GFEDMM COc1ccc(C=Nn2c(C)cc(C)c(C#N)c2=O)c(Br)c1[O-] ZINC000761015945 655996341 /nfs/dbraw/zinc/99/63/41/655996341.db2.gz SONRWDBAWZBBCY-UHFFFAOYSA-N -1 1 376.210 2.696 20 30 GFEDMM COc1ccccc1Nc1nc(Cl)c(C=Nn2c(=O)cn[n-]c2=S)s1 ZINC000766482357 656172770 /nfs/dbraw/zinc/17/27/70/656172770.db2.gz JJKCUQKOGMQADC-UHFFFAOYSA-N -1 1 394.869 2.671 20 30 GFEDMM Cn1ccnc1C(=O)C(C#N)=C([O-])C1=Cc2cc(Br)ccc2OC1 ZINC000770871500 656333176 /nfs/dbraw/zinc/33/31/76/656333176.db2.gz MTXPKPAPQZHFIB-CYBMUJFWSA-N -1 1 386.205 2.550 20 30 GFEDMM N#Cc1ccc(NC(=O)COC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000778829444 656892506 /nfs/dbraw/zinc/89/25/06/656892506.db2.gz VVKWZZSOWMOBTQ-UHFFFAOYSA-N -1 1 375.178 2.822 20 30 GFEDMM C#CCOCC[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000784454107 657310192 /nfs/dbraw/zinc/31/01/92/657310192.db2.gz KWVWQOWSZVKSAV-UHFFFAOYSA-N -1 1 387.082 2.684 20 30 GFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c1 ZINC000792703566 658313518 /nfs/dbraw/zinc/31/35/18/658313518.db2.gz ZJMULPBXPLXNCY-UHFFFAOYSA-N -1 1 378.475 2.831 20 30 GFEDMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)c(F)cc1Cl ZINC000795799241 658852746 /nfs/dbraw/zinc/85/27/46/658852746.db2.gz YDFLCWMKQJAZTM-UHFFFAOYSA-N -1 1 382.800 2.616 20 30 GFEDMM C#CC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000859428158 662162039 /nfs/dbraw/zinc/16/20/39/662162039.db2.gz WQTRKKYZKXLZMZ-SECBINFHSA-N -1 1 384.654 2.558 20 30 GFEDMM C#CC[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000859428159 662162072 /nfs/dbraw/zinc/16/20/72/662162072.db2.gz WQTRKKYZKXLZMZ-VIFPVBQESA-N -1 1 384.654 2.558 20 30 GFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(Br)cnn1C1CC1 ZINC000903673393 663801462 /nfs/dbraw/zinc/80/14/62/663801462.db2.gz PZUWEXOZQOUSID-UHFFFAOYSA-N -1 1 381.255 2.961 20 30 GFEDMM N#CC1([N-]C(=O)C(F)(F)c2ncccc2Br)CCSCC1 ZINC000907132065 664005381 /nfs/dbraw/zinc/00/53/81/664005381.db2.gz ILLZXMGGOQXKFI-UHFFFAOYSA-N -1 1 376.226 2.841 20 30 GFEDMM C[C@@]1(c2ccccc2)NC(=O)N(N=Cc2ccc([O-])c(Br)c2)C1=O ZINC000916327559 664457513 /nfs/dbraw/zinc/45/75/13/664457513.db2.gz KOYZIJLLOIRLRJ-KRWDZBQOSA-N -1 1 388.221 2.956 20 30 GFEDMM O=S(=O)([N-]C[C@H](O)C(F)(F)C(F)(F)F)c1cscc1C(F)F ZINC000919780453 664517980 /nfs/dbraw/zinc/51/79/80/664517980.db2.gz JHOHJOXFNXUEPG-LURJTMIESA-N -1 1 375.287 2.523 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)cc1Cl ZINC000121133966 551227937 /nfs/dbraw/zinc/22/79/37/551227937.db2.gz OCCNHRYREZRPED-UHFFFAOYSA-N -1 1 376.825 2.542 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)c(Cl)c1 ZINC000186623702 552392555 /nfs/dbraw/zinc/39/25/55/552392555.db2.gz BDHBJQGQCRIEDC-UHFFFAOYSA-N -1 1 377.731 2.720 20 30 GFEDMM N#Cc1ccc(CNC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000230888090 553065488 /nfs/dbraw/zinc/06/54/88/553065488.db2.gz FJMVPNTYNXAETF-UHFFFAOYSA-N -1 1 378.169 2.798 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(Br)cccc32)o1 ZINC000376398297 563441091 /nfs/dbraw/zinc/44/10/91/563441091.db2.gz WJCLITFMCIRPAK-LBPRGKRZSA-N -1 1 383.223 2.716 20 30 GFEDMM CC(C)(C)n1cnc(NC(=O)c2ccc(I)c([O-])c2)n1 ZINC000330861336 563523884 /nfs/dbraw/zinc/52/38/84/563523884.db2.gz LMSMHGWGYLSWDS-UHFFFAOYSA-N -1 1 386.193 2.980 20 30 GFEDMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432766261 563592550 /nfs/dbraw/zinc/59/25/50/563592550.db2.gz GDVKTLNIONZGRP-NRFANRHFSA-N -1 1 399.291 2.859 20 30 GFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)cc1C(N)=O ZINC000508081594 564252677 /nfs/dbraw/zinc/25/26/77/564252677.db2.gz DHJJSJGRHYVNQM-UHFFFAOYSA-N -1 1 394.250 2.529 20 30 GFEDMM CC(C)OCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000450963286 564256703 /nfs/dbraw/zinc/25/67/03/564256703.db2.gz ANAHRPWPFPSAQW-UHFFFAOYSA-N -1 1 379.251 2.553 20 30 GFEDMM N#Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3sccc3Cl)C2=O)cc1 ZINC000451379324 564306428 /nfs/dbraw/zinc/30/64/28/564306428.db2.gz ACPNXWZXHQXJGL-CQSZACIVSA-N -1 1 395.893 2.747 20 30 GFEDMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)cc2oc1=O ZINC000466966876 564951855 /nfs/dbraw/zinc/95/18/55/564951855.db2.gz KBYVLUMANHHDHW-UHFFFAOYSA-N -1 1 377.809 2.940 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)cc1Br ZINC000590749945 565201044 /nfs/dbraw/zinc/20/10/44/565201044.db2.gz KFXOHMUNJGPKEZ-MRVPVSSYSA-N -1 1 383.189 2.926 20 30 GFEDMM O=S(=O)([N-][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(F)cc1C(F)(F)F ZINC000644278139 565470076 /nfs/dbraw/zinc/47/00/76/565470076.db2.gz GDZKOVDQOKEOPC-LDYMZIIASA-N -1 1 395.296 2.969 20 30 GFEDMM C=CCC1(NC(=O)c2cc(I)ccc2[O-])CCOCC1 ZINC000598177236 565597913 /nfs/dbraw/zinc/59/79/13/565597913.db2.gz HRSUAKNXJKLZJI-UHFFFAOYSA-N -1 1 387.217 2.852 20 30 GFEDMM C=CCN(Cc1cc(Br)ccc1F)C(=O)CCCc1nn[n-]n1 ZINC000635469664 566215432 /nfs/dbraw/zinc/21/54/32/566215432.db2.gz BOXCJOQXVSEGOA-UHFFFAOYSA-N -1 1 382.237 2.639 20 30 GFEDMM C=CCn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1-c1cccnc1 ZINC000735449812 598235613 /nfs/dbraw/zinc/23/56/13/598235613.db2.gz SMSXUJXQJNOYFG-UHFFFAOYSA-N -1 1 380.412 2.997 20 30 GFEDMM C=CCn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1-c1cccnc1 ZINC000735449812 598235615 /nfs/dbraw/zinc/23/56/15/598235615.db2.gz SMSXUJXQJNOYFG-UHFFFAOYSA-N -1 1 380.412 2.997 20 30 GFEDMM Cc1ccc2c(Cl)c(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)sc2c1 ZINC000737371699 598259469 /nfs/dbraw/zinc/25/94/69/598259469.db2.gz IRRIVTXPXLMDAU-UHFFFAOYSA-N -1 1 384.812 2.890 20 30 GFEDMM C#Cc1cccc(N(CC)S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000819710015 599300603 /nfs/dbraw/zinc/30/06/03/599300603.db2.gz VSZQUCZYUVQBCE-UHFFFAOYSA-N -1 1 387.852 2.717 20 30 GFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000825966694 601132367 /nfs/dbraw/zinc/13/23/67/601132367.db2.gz KKZWADFVJAUEPB-CABCVRRESA-N -1 1 390.509 2.951 20 30 GFEDMM COc1cc(C)c(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc1OC ZINC000821708405 606341886 /nfs/dbraw/zinc/34/18/86/606341886.db2.gz PCLMWGKYQVTKEN-UHFFFAOYSA-N -1 1 385.428 2.825 20 30 GFEDMM S=C(NCCc1ccc(Cl)cc1)NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823732932 606369835 /nfs/dbraw/zinc/36/98/35/606369835.db2.gz QDQCZGTWWLHPAM-UHFFFAOYSA-N -1 1 391.913 2.622 20 30 GFEDMM N#Cc1ccc(OCCNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826386141 609279596 /nfs/dbraw/zinc/27/95/96/609279596.db2.gz QMVDVWDAFDYBNU-UHFFFAOYSA-N -1 1 390.382 2.554 20 30 GFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)c(Cl)c2)ccc1Cl ZINC000826384183 609338851 /nfs/dbraw/zinc/33/88/51/609338851.db2.gz KKVSYZNTTOILNY-UHFFFAOYSA-N -1 1 395.231 2.846 20 30 GFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)N(C)C[C@H](C)c2nn[n-]n2)s1 ZINC000819493429 660260276 /nfs/dbraw/zinc/26/02/76/660260276.db2.gz HWKHHIREFBYVOA-QMMMGPOBSA-N -1 1 386.934 2.614 20 30 GFEDMM CC1=C(C(=O)C=Cc2ccc([O-])c(Br)c2)[C@@H](C)N2NN=NC2=N1 ZINC000752882535 655847707 /nfs/dbraw/zinc/84/77/07/655847707.db2.gz MXDGQOJKMRSMJO-XTULLQBASA-N -1 1 376.214 2.957 20 30 GFEDMM O=S1(=O)[N-]C(=NN=C2CCc3c2cccc3Br)c2ccccc21 ZINC000773200821 656404143 /nfs/dbraw/zinc/40/41/43/656404143.db2.gz LCAVRZYSJXXODU-UHFFFAOYSA-N -1 1 390.262 2.838 20 30 GFEDMM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CCC2 ZINC000779944538 656969251 /nfs/dbraw/zinc/96/92/51/656969251.db2.gz QKSIMNQBQIMYGZ-GFCCVEGCSA-N -1 1 378.435 2.587 20 30 GFEDMM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1C(=O)[O-] ZINC000790382380 657965385 /nfs/dbraw/zinc/96/53/85/657965385.db2.gz BYSQRITYLZXOEO-UHFFFAOYSA-N -1 1 380.809 2.914 20 30 GFEDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1Cl ZINC000794580182 658565550 /nfs/dbraw/zinc/56/55/50/658565550.db2.gz JIABOIVKYCDIQM-UHFFFAOYSA-N -1 1 399.881 2.578 20 30 GFEDMM C=C(C)C[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F ZINC000795936061 658874274 /nfs/dbraw/zinc/87/42/74/658874274.db2.gz IWOTVEVVLHKXNO-UHFFFAOYSA-N -1 1 380.235 2.619 20 30 GFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnn2c1OCCC2 ZINC000796744300 658936362 /nfs/dbraw/zinc/93/63/62/658936362.db2.gz HXWNXGYWYMGPAK-JTQLQIEISA-N -1 1 379.203 2.934 20 30 GFEDMM CS(=O)(=O)N(Cc1ccccc1)N=Cc1ccc([O-])c(Br)c1 ZINC000814237498 660075085 /nfs/dbraw/zinc/07/50/85/660075085.db2.gz RZNYOASPJGIVDJ-UHFFFAOYSA-N -1 1 383.267 2.950 20 30 GFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)C(=O)OCC ZINC000867589886 662561411 /nfs/dbraw/zinc/56/14/11/662561411.db2.gz RHDHBKGYPARYBL-MWLCHTKSSA-N -1 1 378.705 2.564 20 30 GFEDMM C#CCC1([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)CCOCC1 ZINC000885838363 663098876 /nfs/dbraw/zinc/09/88/76/663098876.db2.gz FZLUIAMJDFBMGY-UHFFFAOYSA-N -1 1 394.237 2.578 20 30 GFEDMM [O-]c1cc(Br)cnc1C=NN1C(=S)N=NC1[C@@H]1CCCCO1 ZINC000901194739 663732124 /nfs/dbraw/zinc/73/21/24/663732124.db2.gz OUMPSDMZTVRYQN-NSHDSACASA-N -1 1 384.259 2.554 20 30 GFEDMM Cc1sc(Br)cc1S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F ZINC000901771682 663745385 /nfs/dbraw/zinc/74/53/85/663745385.db2.gz HEILIKKHIULAFH-SSDOTTSWSA-N -1 1 377.207 2.942 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C#N)c1F ZINC000914221625 664387434 /nfs/dbraw/zinc/38/74/34/664387434.db2.gz VWXUNQJIYMGING-PSASIEDQSA-N -1 1 377.235 2.567 20 30 GFEDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CS1 ZINC000416599948 563851764 /nfs/dbraw/zinc/85/17/64/563851764.db2.gz VASQRXJFBLLWIF-CBAPKCEASA-N -1 1 379.276 2.632 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3c[nH]nc32)cc1Br ZINC000296353347 563284649 /nfs/dbraw/zinc/28/46/49/563284649.db2.gz QNYYIVZYGLMDCB-LBPRGKRZSA-N -1 1 399.245 2.539 20 30 GFEDMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000431199075 563556588 /nfs/dbraw/zinc/55/65/88/563556588.db2.gz WCNJWGAHUCKWNU-UHFFFAOYSA-N -1 1 378.475 2.688 20 30 GFEDMM COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)[n-]1 ZINC000432655440 563590039 /nfs/dbraw/zinc/59/00/39/563590039.db2.gz NFQYRDJMHACYSL-QMMMGPOBSA-N -1 1 376.463 2.737 20 30 GFEDMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000432655440 563590040 /nfs/dbraw/zinc/59/00/40/563590040.db2.gz NFQYRDJMHACYSL-QMMMGPOBSA-N -1 1 376.463 2.737 20 30 GFEDMM Cc1nc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)c(Br)n1C ZINC000287800469 563618127 /nfs/dbraw/zinc/61/81/27/563618127.db2.gz LRQNOIJYLXNSHD-ZDUSSCGKSA-N -1 1 397.298 2.814 20 30 GFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](c1nc(C)cs1)C(F)(F)F ZINC000451069957 564269952 /nfs/dbraw/zinc/26/99/52/564269952.db2.gz WHAPUTWLSZKKJP-LBPRGKRZSA-N -1 1 391.396 2.914 20 30 GFEDMM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451228721 564289341 /nfs/dbraw/zinc/28/93/41/564289341.db2.gz NWEODRUHEQGXKI-ZDUSSCGKSA-N -1 1 393.278 2.535 20 30 GFEDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H]1CCCCO1 ZINC000451371353 564305814 /nfs/dbraw/zinc/30/58/14/564305814.db2.gz DFFZOELPKLRIQV-NOZJJQNGSA-N -1 1 391.262 2.696 20 30 GFEDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H]1CCCOC1 ZINC000451383259 564307279 /nfs/dbraw/zinc/30/72/79/564307279.db2.gz KMBYDIJTDIRBFT-ZJUUUORDSA-N -1 1 391.262 2.553 20 30 GFEDMM CCC[C@@]1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCOC1 ZINC000451524603 564322609 /nfs/dbraw/zinc/32/26/09/564322609.db2.gz CVAWNZJKEZXSFN-CQSZACIVSA-N -1 1 391.262 2.697 20 30 GFEDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1 ZINC000486016496 564636273 /nfs/dbraw/zinc/63/62/73/564636273.db2.gz LONUHFUTXFTCEJ-LBPRGKRZSA-N -1 1 396.515 2.895 20 30 GFEDMM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000497944180 564880068 /nfs/dbraw/zinc/88/00/68/564880068.db2.gz LIBBRCMJIGXIFE-WCBMZHEXSA-N -1 1 383.285 2.825 20 30 GFEDMM N#Cc1cc(Cl)cc(Br)c1N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000587994273 565121912 /nfs/dbraw/zinc/12/19/12/565121912.db2.gz IOULLLZYWDZYNY-UHFFFAOYSA-N -1 1 399.705 2.565 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](CCO)c2ccccc2Br)c1 ZINC000589199584 565155088 /nfs/dbraw/zinc/15/50/88/565155088.db2.gz JEOOPWRLEPMJGF-INIZCTEOSA-N -1 1 375.222 2.880 20 30 GFEDMM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000592081847 565254531 /nfs/dbraw/zinc/25/45/31/565254531.db2.gz DQADCAIUCWDEMI-KOLCDFICSA-N -1 1 393.278 2.535 20 30 GFEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1SCCC#N)C1CCOCC1 ZINC000592351102 565271240 /nfs/dbraw/zinc/27/12/40/565271240.db2.gz UNIOQBWLQBBYEZ-INIZCTEOSA-N -1 1 384.523 2.876 20 30 GFEDMM CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(C#N)cc3Cl)cc2C1 ZINC000594704924 565409226 /nfs/dbraw/zinc/40/92/26/565409226.db2.gz IEYUTCXABSJOEH-UHFFFAOYSA-N -1 1 395.893 2.979 20 30 GFEDMM C[C@H](CC#N)N(C)S(=O)(=O)[N-]CC(F)(F)c1ccc(Br)cc1 ZINC000598625091 565630036 /nfs/dbraw/zinc/63/00/36/565630036.db2.gz NIZYLFFMHQLZAU-SNVBAGLBSA-N -1 1 396.257 2.609 20 30 GFEDMM N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737728119 598989943 /nfs/dbraw/zinc/98/99/43/598989943.db2.gz XSGDSHCAIWPGNX-UHFFFAOYSA-N -1 1 381.399 2.980 20 30 GFEDMM N#Cc1ccccc1N(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737728119 598989944 /nfs/dbraw/zinc/98/99/44/598989944.db2.gz XSGDSHCAIWPGNX-UHFFFAOYSA-N -1 1 381.399 2.980 20 30 GFEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000737201131 598491472 /nfs/dbraw/zinc/49/14/72/598491472.db2.gz QWOUDPXXYZRYLG-ZDUSSCGKSA-N -1 1 392.419 2.693 20 30 GFEDMM Cc1cc(C)n(N=Cc2ccc(OC(F)F)c(Cl)c2)c(=O)c1-c1nn[n-]n1 ZINC000737256861 598582353 /nfs/dbraw/zinc/58/23/53/598582353.db2.gz OMTDXTRYOYFCBP-UHFFFAOYSA-N -1 1 394.769 2.782 20 30 GFEDMM N#Cc1[n-]c(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)nc1-c1nn[nH]n1 ZINC000822815288 599314518 /nfs/dbraw/zinc/31/45/18/599314518.db2.gz OJTXSEAUXQXILS-UWVGGRQHSA-N -1 1 389.206 2.510 20 30 GFEDMM Cc1nc2sc3c(c2c(=O)n1N=Cc1ccc(-c2nnn[n-]2)o1)CCCCC3 ZINC000822467289 599332462 /nfs/dbraw/zinc/33/24/62/599332462.db2.gz KVTGIXHJZJTPQR-UHFFFAOYSA-N -1 1 395.448 2.691 20 30 GFEDMM Cc1nc2sc3c(c2c(=O)n1N=Cc1ccc(-c2nn[n-]n2)o1)CCCCC3 ZINC000822467289 599332463 /nfs/dbraw/zinc/33/24/63/599332463.db2.gz KVTGIXHJZJTPQR-UHFFFAOYSA-N -1 1 395.448 2.691 20 30 GFEDMM C[C@@H](NC(=O)[O-])C1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000739029730 602447728 /nfs/dbraw/zinc/44/77/28/602447728.db2.gz WYMSNJKDYDRDBB-CZUORRHYSA-N -1 1 393.447 2.592 20 30 GFEDMM C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@H]2CC(=O)[O-])c1=S ZINC000825710862 604978106 /nfs/dbraw/zinc/97/81/06/604978106.db2.gz FCUXNHOQTKJRMZ-INIZCTEOSA-N -1 1 393.557 2.525 20 30 GFEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000833402238 605598174 /nfs/dbraw/zinc/59/81/74/605598174.db2.gz GMOWLILZCHNPSC-CYBMUJFWSA-N -1 1 390.417 2.632 20 30 GFEDMM N#Cc1[n-]c(NC(=O)CCCc2csc3ccccc23)nc1-c1nn[nH]n1 ZINC000822815566 606694292 /nfs/dbraw/zinc/69/42/92/606694292.db2.gz SZBQEZSCESEGOU-UHFFFAOYSA-N -1 1 378.421 2.638 20 30 GFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1c(F)cccc1N1CCOCC1 ZINC000822922989 606977814 /nfs/dbraw/zinc/97/78/14/606977814.db2.gz LXEOCISOXWPAIX-XQRVVYSFSA-N -1 1 385.424 2.800 20 30 GFEDMM N#Cc1ccccc1N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000130239004 654885171 /nfs/dbraw/zinc/88/51/71/654885171.db2.gz ONGKVUXDAABXIO-UHFFFAOYSA-N -1 1 386.249 2.989 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cc1Cl ZINC000067659697 654942772 /nfs/dbraw/zinc/94/27/72/654942772.db2.gz IPCIUSJZBMUZBZ-UHFFFAOYSA-N -1 1 377.788 2.732 20 30 GFEDMM C#CCOCCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000839733413 661103439 /nfs/dbraw/zinc/10/34/39/661103439.db2.gz ISOSDINQLWFYFS-UHFFFAOYSA-N -1 1 377.032 2.896 20 30 GFEDMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000176734690 655253866 /nfs/dbraw/zinc/25/38/66/655253866.db2.gz LTMIWHXBXPRSFQ-UHFFFAOYSA-N -1 1 391.802 2.731 20 30 GFEDMM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1nc(C(F)(F)F)cs1 ZINC000277125703 655304483 /nfs/dbraw/zinc/30/44/83/655304483.db2.gz ZSGHMCNWTXMEPQ-MRVPVSSYSA-N -1 1 376.385 2.858 20 30 GFEDMM C=C[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000579180945 655495460 /nfs/dbraw/zinc/49/54/60/655495460.db2.gz KKQCFZZYVLOLLU-NSHDSACASA-N -1 1 377.293 2.839 20 30 GFEDMM C=CCOc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1Cl ZINC000727255884 655543525 /nfs/dbraw/zinc/54/35/25/655543525.db2.gz OPXGQFMUMQIUOA-UHFFFAOYSA-N -1 1 375.837 2.977 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccccc1Br ZINC000748255477 655789107 /nfs/dbraw/zinc/78/91/07/655789107.db2.gz VZBBCRWJRCCHSI-UHFFFAOYSA-N -1 1 384.211 2.670 20 30 GFEDMM N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2Br)cc1 ZINC000753524792 655855607 /nfs/dbraw/zinc/85/56/07/655855607.db2.gz YBRKEUHPOXJRAR-UHFFFAOYSA-N -1 1 399.197 2.959 20 30 GFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OCC#N)c2)ccc1Cl ZINC000757471081 655911790 /nfs/dbraw/zinc/91/17/90/655911790.db2.gz BCQQYBQHYXERAO-UHFFFAOYSA-N -1 1 380.809 2.830 20 30 GFEDMM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000766505058 656173739 /nfs/dbraw/zinc/17/37/39/656173739.db2.gz JCMPMZUTBINXNZ-CYBMUJFWSA-N -1 1 390.259 2.964 20 30 GFEDMM Cn1ccnc1C(=O)C(C#N)=C([O-])C1=Cc2cc(Br)ccc2OC1 ZINC000770871501 656333246 /nfs/dbraw/zinc/33/32/46/656333246.db2.gz MTXPKPAPQZHFIB-ZDUSSCGKSA-N -1 1 386.205 2.550 20 30 GFEDMM Cc1cc(Br)c([O-])c(C=NNc2ccc(S(N)(=O)=O)cc2)c1 ZINC000781573423 657064719 /nfs/dbraw/zinc/06/47/19/657064719.db2.gz FBQQZHPTGPRTSM-UHFFFAOYSA-N -1 1 384.255 2.557 20 30 GFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000782225720 657117057 /nfs/dbraw/zinc/11/70/57/657117057.db2.gz ZBNDMYHMABEXIY-UHFFFAOYSA-N -1 1 378.797 2.711 20 30 GFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000805020146 659718342 /nfs/dbraw/zinc/71/83/42/659718342.db2.gz PJFDLZCUGZKFTJ-XLKFXECMSA-N -1 1 375.233 2.858 20 30 GFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c(F)c1 ZINC000809815420 659941241 /nfs/dbraw/zinc/94/12/41/659941241.db2.gz HLRIVRQMBKNRQQ-UHFFFAOYSA-N -1 1 387.751 2.877 20 30 GFEDMM N#CC1(CS(=O)(=O)[N-]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)CCC1 ZINC000809819309 659942385 /nfs/dbraw/zinc/94/23/85/659942385.db2.gz PGBCWJLNJOQXBQ-AWEZNQCLSA-N -1 1 396.818 2.703 20 30 GFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)nc1 ZINC000809836956 659947400 /nfs/dbraw/zinc/94/74/00/659947400.db2.gz QOBYUXFCJUYVDA-UHFFFAOYSA-N -1 1 387.204 2.647 20 30 GFEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCC1 ZINC000845966028 661510525 /nfs/dbraw/zinc/51/05/25/661510525.db2.gz ZALQUDFKHFERHH-UHFFFAOYSA-N -1 1 388.243 2.720 20 30 GFEDMM C[S@](=O)(=NS(=O)(=O)[N-]Cc1cc(F)c(C#N)c(F)c1)C1CCCCC1 ZINC000882329787 663024602 /nfs/dbraw/zinc/02/46/02/663024602.db2.gz PCMQJWHWNBAIJL-XMMPIXPASA-N -1 1 391.465 2.601 20 30 GFEDMM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F ZINC000901775436 663745693 /nfs/dbraw/zinc/74/56/93/663745693.db2.gz VVCDITSQDUZZKC-JTQLQIEISA-N -1 1 387.177 2.581 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2C#N)c1F ZINC000914221628 664387451 /nfs/dbraw/zinc/38/74/51/664387451.db2.gz VWXUNQJIYMGING-WPRPVWTQSA-N -1 1 377.235 2.567 20 30 GFEDMM Cc1csc(C(C#N)=C([O-])c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)n1 ZINC000041519228 551135954 /nfs/dbraw/zinc/13/59/54/551135954.db2.gz WHBPLTXEJYJIQV-CQSZACIVSA-N -1 1 377.491 2.809 20 30 GFEDMM N#CCSCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000056931561 551178847 /nfs/dbraw/zinc/17/88/47/551178847.db2.gz SLTQGZYDAUYVMZ-UHFFFAOYSA-N -1 1 379.438 2.822 20 30 GFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)ccc1F ZINC000192127955 552552258 /nfs/dbraw/zinc/55/22/58/552552258.db2.gz HIDGCIJRLZJWEL-LBPRGKRZSA-N -1 1 382.438 2.621 20 30 GFEDMM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 ZINC000295186933 563233947 /nfs/dbraw/zinc/23/39/47/563233947.db2.gz QORYOTCEVIZMMN-UWVGGRQHSA-N -1 1 391.262 2.553 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1Cl ZINC000326807911 563455767 /nfs/dbraw/zinc/45/57/67/563455767.db2.gz DVHLLMOZLCDPLE-UHFFFAOYSA-N -1 1 381.753 2.619 20 30 GFEDMM Cn1[n-]c(CN2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)nc1=O ZINC000329559519 563482736 /nfs/dbraw/zinc/48/27/36/563482736.db2.gz FPDKJFGQNLFWNX-UHFFFAOYSA-N -1 1 384.267 2.915 20 30 GFEDMM N#Cc1ccc(C(=O)N[C@H](CCO)c2ccccc2Br)cc1[O-] ZINC000443119951 563792880 /nfs/dbraw/zinc/79/28/80/563792880.db2.gz UCZONORIJUJBOK-OAHLLOKOSA-N -1 1 375.222 2.880 20 30 GFEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000443419086 563804910 /nfs/dbraw/zinc/80/49/10/563804910.db2.gz UPNGIPDRPDBCBI-UHFFFAOYSA-N -1 1 377.487 2.936 20 30 GFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000416964072 563864325 /nfs/dbraw/zinc/86/43/25/563864325.db2.gz VLZXBFKCQRMELQ-MRXNPFEDSA-N -1 1 384.523 2.978 20 30 GFEDMM C[C@H](Cc1cc(Br)ccc1F)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000565081386 564265516 /nfs/dbraw/zinc/26/55/16/564265516.db2.gz OINZAHSYOMWELW-SECBINFHSA-N -1 1 387.230 2.962 20 30 GFEDMM CCOCC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451583893 564328489 /nfs/dbraw/zinc/32/84/89/564328489.db2.gz QPBNGBBTQAFVFU-UHFFFAOYSA-N -1 1 379.251 2.553 20 30 GFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(I)c1 ZINC000566909305 564348888 /nfs/dbraw/zinc/34/88/88/564348888.db2.gz XFZVFPQUOMYORI-MRVPVSSYSA-N -1 1 384.626 2.988 20 30 GFEDMM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000572173983 564584724 /nfs/dbraw/zinc/58/47/24/564584724.db2.gz MEFRLLYXBBJBIN-UHFFFAOYSA-N -1 1 385.264 2.543 20 30 GFEDMM Cc1nc([C@H]([N-]S(=O)(=O)CC2(C#N)CCC2)c2ccc(Cl)cc2)no1 ZINC000554900369 564776726 /nfs/dbraw/zinc/77/67/26/564776726.db2.gz YDSNXQITNIJWPJ-CQSZACIVSA-N -1 1 380.857 2.734 20 30 GFEDMM N#Cc1cncc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000554956815 564778971 /nfs/dbraw/zinc/77/89/71/564778971.db2.gz OUQNMLABZNTDKT-CYBMUJFWSA-N -1 1 377.294 2.813 20 30 GFEDMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000528543540 564792035 /nfs/dbraw/zinc/79/20/35/564792035.db2.gz AICDDMYLXKFTHH-GMAGZHIISA-N -1 1 391.262 2.550 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCNc2ncc(C(F)(F)F)cc2Cl)o1 ZINC000557791372 564877013 /nfs/dbraw/zinc/87/70/13/564877013.db2.gz RTJBBPNEZIBGLB-UHFFFAOYSA-N -1 1 394.762 2.609 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(Br)cc23)o1 ZINC000561531263 564999333 /nfs/dbraw/zinc/99/93/33/564999333.db2.gz PHNFGUAITWTRRX-UHFFFAOYSA-N -1 1 394.250 2.916 20 30 GFEDMM N#Cc1ccc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)cc1[O-] ZINC000561726985 565007153 /nfs/dbraw/zinc/00/71/53/565007153.db2.gz NIEKBDRIWKSIFG-UHFFFAOYSA-N -1 1 378.837 2.511 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc[nH]3)c2)cc1Cl ZINC000470235968 565041687 /nfs/dbraw/zinc/04/16/87/565041687.db2.gz FCOZWEZOSAMBBT-UHFFFAOYSA-N -1 1 377.788 2.937 20 30 GFEDMM Cc1cc(NC(=O)CNC(=O)c2cc([O-])cc(C#N)c2)ccc1Br ZINC000614298385 565105144 /nfs/dbraw/zinc/10/51/44/565105144.db2.gz LGFJDYHMMNDHKL-UHFFFAOYSA-N -1 1 388.221 2.703 20 30 GFEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000588142870 565128707 /nfs/dbraw/zinc/12/87/07/565128707.db2.gz WZJAMRFAJMIEGH-UHFFFAOYSA-N -1 1 390.259 2.966 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)c1 ZINC000617626814 565249529 /nfs/dbraw/zinc/24/95/29/565249529.db2.gz ISERWRUBSMKOLY-CQSZACIVSA-N -1 1 389.249 2.607 20 30 GFEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N)[C@@H]1CCOC1 ZINC000594695003 565408563 /nfs/dbraw/zinc/40/85/63/565408563.db2.gz PIFRHWKFZNJNMJ-IIAWOOMASA-N -1 1 384.523 2.874 20 30 GFEDMM C[C@@H](CC#N)N(C)S(=O)(=O)[N-]CC(F)(F)c1ccc(Br)cc1 ZINC000598625085 565630453 /nfs/dbraw/zinc/63/04/53/565630453.db2.gz NIZYLFFMHQLZAU-JTQLQIEISA-N -1 1 396.257 2.609 20 30 GFEDMM Cc1ccc(-c2ncc(C=Nn3c(C)cc(C)c(-c4nn[n-]n4)c3=O)s2)cc1 ZINC000737288040 598978208 /nfs/dbraw/zinc/97/82/08/598978208.db2.gz JPTUBEVSRSDLSS-UHFFFAOYSA-N -1 1 391.460 2.959 20 30 GFEDMM CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736330821 599151806 /nfs/dbraw/zinc/15/18/06/599151806.db2.gz ZMZFDYFCUFZOGV-MLGOLLRUSA-N -1 1 389.419 2.736 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2occc2Br)o1 ZINC000735657127 599220038 /nfs/dbraw/zinc/22/00/38/599220038.db2.gz OYQZBNOABDEVRN-UHFFFAOYSA-N -1 1 380.206 2.954 20 30 GFEDMM Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN(C)CCC(=O)[O-])c1C#N ZINC000818758828 596997433 /nfs/dbraw/zinc/99/74/33/596997433.db2.gz NQFQHERTUYWLIH-UHFFFAOYSA-N -1 1 386.427 2.509 20 30 GFEDMM C=C(C)COc1cccc(NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)c1 ZINC000735402213 598472374 /nfs/dbraw/zinc/47/23/74/598472374.db2.gz MJKWXPBNUZKABC-UHFFFAOYSA-N -1 1 398.448 2.896 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1ccc(F)cc1C#N ZINC000737547378 598706979 /nfs/dbraw/zinc/70/69/79/598706979.db2.gz KBMAUSHBQSMTBI-UHFFFAOYSA-N -1 1 392.350 2.927 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1ccc(F)cc1C#N ZINC000737547378 598706981 /nfs/dbraw/zinc/70/69/81/598706981.db2.gz KBMAUSHBQSMTBI-UHFFFAOYSA-N -1 1 392.350 2.927 20 30 GFEDMM CC(=CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccc1C(F)(F)F ZINC000819764771 599312358 /nfs/dbraw/zinc/31/23/58/599312358.db2.gz KYDJBSBAFSQDBF-VURMDHGXSA-N -1 1 388.313 2.522 20 30 GFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000822225096 607376659 /nfs/dbraw/zinc/37/66/59/607376659.db2.gz OAELCFQCPZSNTA-UHFFFAOYSA-N -1 1 398.448 2.635 20 30 GFEDMM Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])c1C#N ZINC000738253319 600372722 /nfs/dbraw/zinc/37/27/22/600372722.db2.gz OJUMCPBEQPGYDL-GFCCVEGCSA-N -1 1 386.427 2.696 20 30 GFEDMM CC(=O)c1[nH]c(CC(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c(C(=O)[O-])c1C ZINC000736174510 600519211 /nfs/dbraw/zinc/51/92/11/600519211.db2.gz WSGZIRJAQFNDHS-LBPRGKRZSA-N -1 1 378.388 2.828 20 30 GFEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000833074119 601310689 /nfs/dbraw/zinc/31/06/89/601310689.db2.gz PEEASULVGCGIRZ-LJQANCHMSA-N -1 1 381.407 2.671 20 30 GFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000740066951 602531190 /nfs/dbraw/zinc/53/11/90/602531190.db2.gz OPLBIPDLUZUQOY-MSOLQXFVSA-N -1 1 386.496 2.870 20 30 GFEDMM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826385398 607672563 /nfs/dbraw/zinc/67/25/63/607672563.db2.gz KFGNZZDZIVQBKD-UHFFFAOYSA-N -1 1 396.215 2.813 20 30 GFEDMM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826385398 607672565 /nfs/dbraw/zinc/67/25/65/607672565.db2.gz KFGNZZDZIVQBKD-UHFFFAOYSA-N -1 1 396.215 2.813 20 30 GFEDMM C=CCC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000823894005 607677716 /nfs/dbraw/zinc/67/77/16/607677716.db2.gz DNEXXEZIXAHHQA-OAHLLOKOSA-N -1 1 387.440 2.992 20 30 GFEDMM C=CCC[C@@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000823894005 607677717 /nfs/dbraw/zinc/67/77/17/607677717.db2.gz DNEXXEZIXAHHQA-OAHLLOKOSA-N -1 1 387.440 2.992 20 30 GFEDMM Cc1ccc2c(n1)c(=O)c(-c1nn[n-]n1)cn2Cc1ccccc1C(C)(C)C#N ZINC000826295195 607718340 /nfs/dbraw/zinc/71/83/40/607718340.db2.gz WAPBPJRTXKKDLX-UHFFFAOYSA-N -1 1 385.431 2.735 20 30 GFEDMM N#CC(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000833064639 604879669 /nfs/dbraw/zinc/87/96/69/604879669.db2.gz TUXDWCNMBDOLTN-ZDUSSCGKSA-N -1 1 392.350 2.525 20 30 GFEDMM N#CC1(NC(=O)c2ccc(CNC(=O)[O-])cc2)CCN(Cc2ccccc2)CC1 ZINC000833963431 605415620 /nfs/dbraw/zinc/41/56/20/605415620.db2.gz MGSVUIXGRZNORD-UHFFFAOYSA-N -1 1 392.459 2.742 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2nc3cc(Cl)ccc3n2C)o1 ZINC000824352487 607887400 /nfs/dbraw/zinc/88/74/00/607887400.db2.gz FTTAPANWMLBNNZ-UHFFFAOYSA-N -1 1 385.819 2.964 20 30 GFEDMM N#Cc1cccc([C@@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCO2)c1 ZINC000826386465 608052550 /nfs/dbraw/zinc/05/25/50/608052550.db2.gz GOANCPHAVCNEKD-FQEVSTJZSA-N -1 1 383.415 2.864 20 30 GFEDMM N#Cc1cccc([C@@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCO2)c1 ZINC000826386465 608052551 /nfs/dbraw/zinc/05/25/51/608052551.db2.gz GOANCPHAVCNEKD-FQEVSTJZSA-N -1 1 383.415 2.864 20 30 GFEDMM N#Cc1ccc(-n2ccc(NCc3ccnc(-c4nnn[n-]4)c3)n2)c(Cl)c1 ZINC000826384090 609445448 /nfs/dbraw/zinc/44/54/48/609445448.db2.gz GMZIXEBIGQNXFO-UHFFFAOYSA-N -1 1 377.799 2.585 20 30 GFEDMM N#Cc1ccc(-n2ccc(NCc3ccnc(-c4nn[n-]n4)c3)n2)c(Cl)c1 ZINC000826384090 609445450 /nfs/dbraw/zinc/44/54/50/609445450.db2.gz GMZIXEBIGQNXFO-UHFFFAOYSA-N -1 1 377.799 2.585 20 30 GFEDMM CS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000058496198 654818672 /nfs/dbraw/zinc/81/86/72/654818672.db2.gz ZRANJSCBVBBITE-UHFFFAOYSA-N -1 1 384.866 2.557 20 30 GFEDMM CNS(=O)(=O)c1ccc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)o1 ZINC000066856167 654918349 /nfs/dbraw/zinc/91/83/49/654918349.db2.gz JRIYNVPWNMLZKC-NSHDSACASA-N -1 1 379.463 2.834 20 30 GFEDMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)co1 ZINC000270009963 655031017 /nfs/dbraw/zinc/03/10/17/655031017.db2.gz AMHWPKAMMHIYTQ-NSHDSACASA-N -1 1 379.463 2.692 20 30 GFEDMM C=CCCS(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000119639480 655309622 /nfs/dbraw/zinc/30/96/22/655309622.db2.gz WAFQSPZEHUCJBQ-UHFFFAOYSA-N -1 1 384.454 2.944 20 30 GFEDMM Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1cccc([O-])c1Cl ZINC000295986626 655367646 /nfs/dbraw/zinc/36/76/46/655367646.db2.gz RLPOQBGPSDSYBN-BQYQJAHWSA-N -1 1 382.869 2.800 20 30 GFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 ZINC000193612952 655411316 /nfs/dbraw/zinc/41/13/16/655411316.db2.gz FQYRVZYIOGTGDN-UHFFFAOYSA-N -1 1 396.222 2.707 20 30 GFEDMM O=S1(=O)[N-]C(=NN=C2CCCOc3c(Cl)cccc32)c2ccccc21 ZINC000733744288 655620573 /nfs/dbraw/zinc/62/05/73/655620573.db2.gz GDWVOEKJTCEARQ-UHFFFAOYSA-N -1 1 375.837 2.955 20 30 GFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1 ZINC000757478939 655912158 /nfs/dbraw/zinc/91/21/58/655912158.db2.gz VZJLDIIQWYAYMR-UHFFFAOYSA-N -1 1 379.821 2.939 20 30 GFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc2c(s1)CCCC2 ZINC000761267365 656006496 /nfs/dbraw/zinc/00/64/96/656006496.db2.gz RIERDBRXWCGXMC-UHFFFAOYSA-N -1 1 380.451 2.633 20 30 GFEDMM COc1cccc(S(C)(=O)=O)c1NN=Cc1ccc(C(=O)[O-])cc1Cl ZINC000767392598 656201375 /nfs/dbraw/zinc/20/13/75/656201375.db2.gz XRIDONXBJRQJGY-UHFFFAOYSA-N -1 1 382.825 2.896 20 30 GFEDMM CS(=O)(=O)c1csc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)c1 ZINC000768134877 656232898 /nfs/dbraw/zinc/23/28/98/656232898.db2.gz WJXGYKGSRKVBIA-UHFFFAOYSA-N -1 1 385.810 2.837 20 30 GFEDMM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(Br)ccc1[O-] ZINC000783901593 657269541 /nfs/dbraw/zinc/26/95/41/657269541.db2.gz SITFNAJZCOIOOV-OAHLLOKOSA-N -1 1 384.230 2.750 20 30 GFEDMM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)CCC#N)c(F)cc1Cl ZINC000805136588 659748611 /nfs/dbraw/zinc/74/86/11/659748611.db2.gz HMYRDSHNQIJEBQ-UHFFFAOYSA-N -1 1 376.837 2.874 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)cc1Br ZINC000808124516 659878999 /nfs/dbraw/zinc/87/89/99/659878999.db2.gz VNPUVCQIYGDLBB-UHFFFAOYSA-N -1 1 393.218 2.792 20 30 GFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cn2c(Br)cnc2s1 ZINC000815915230 660135607 /nfs/dbraw/zinc/13/56/07/660135607.db2.gz HXOVCCNWJIUYOW-MRVPVSSYSA-N -1 1 390.222 2.514 20 30 GFEDMM C[S@](=O)(=NS(=O)(=O)[N-][C@@H]1CCc2cc(C#N)ccc21)C1CCCCC1 ZINC000882135861 663017933 /nfs/dbraw/zinc/01/79/33/663017933.db2.gz INZUPPHNHKWFAN-MZNJEOGPSA-N -1 1 381.523 2.810 20 30 GFEDMM CSc1ccc(C[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)cc1C#N ZINC000885610123 663093337 /nfs/dbraw/zinc/09/33/37/663093337.db2.gz NJDZRACSWOUHTL-JOCHJYFZSA-N -1 1 375.541 2.511 20 30 GFEDMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000153988929 551464928 /nfs/dbraw/zinc/46/49/28/551464928.db2.gz WTDCGNWUYVGQFL-OAQYLSRUSA-N -1 1 399.291 2.859 20 30 GFEDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)sc1C ZINC000157780454 551542890 /nfs/dbraw/zinc/54/28/90/551542890.db2.gz GUCHOSNWEQJUMK-UHFFFAOYSA-N -1 1 380.451 2.753 20 30 GFEDMM CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000161955659 551601417 /nfs/dbraw/zinc/60/14/17/551601417.db2.gz BCWJJWIREPTIJV-UHFFFAOYSA-N -1 1 398.893 2.600 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)cn1 ZINC000180756694 552235177 /nfs/dbraw/zinc/23/51/77/552235177.db2.gz JWAYDXJONUYQPN-CYBMUJFWSA-N -1 1 377.294 2.813 20 30 GFEDMM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 ZINC000420736271 563280744 /nfs/dbraw/zinc/28/07/44/563280744.db2.gz YAMOBEKOZCNPIP-GHMZBOCLSA-N -1 1 391.262 2.696 20 30 GFEDMM O=C([N-]CC(F)(F)F)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000280349754 563332897 /nfs/dbraw/zinc/33/28/97/563332897.db2.gz XAKXOBIVVGXNBW-UHFFFAOYSA-N -1 1 380.191 2.924 20 30 GFEDMM N#Cc1ccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)cc1[O-] ZINC000332477396 563601069 /nfs/dbraw/zinc/60/10/69/563601069.db2.gz XFEIFCBMLSPVNU-UHFFFAOYSA-N -1 1 375.226 2.700 20 30 GFEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000435585396 563653700 /nfs/dbraw/zinc/65/37/00/563653700.db2.gz RSUSRKHKKNKWBX-LKFCYVNXSA-N -1 1 396.253 2.987 20 30 GFEDMM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000289064112 563666570 /nfs/dbraw/zinc/66/65/70/563666570.db2.gz GLDPGSMZJMJOBW-SECBINFHSA-N -1 1 393.278 2.535 20 30 GFEDMM CSc1cccc(F)c1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000509586854 564305075 /nfs/dbraw/zinc/30/50/75/564305075.db2.gz JQIPLWSEFDUMCK-UHFFFAOYSA-N -1 1 381.410 2.806 20 30 GFEDMM COC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1 ZINC000522881177 564658394 /nfs/dbraw/zinc/65/83/94/564658394.db2.gz LIWTUHYOOSGUDC-UHFFFAOYSA-N -1 1 395.234 2.908 20 30 GFEDMM CC(C)COCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000554810607 564774768 /nfs/dbraw/zinc/77/47/68/564774768.db2.gz HUBUTANUZFFUHJ-UHFFFAOYSA-N -1 1 393.278 2.801 20 30 GFEDMM C=C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000581868942 564821140 /nfs/dbraw/zinc/82/11/40/564821140.db2.gz JDGAVLNFFMYWEN-QMMMGPOBSA-N -1 1 383.209 2.599 20 30 GFEDMM N#CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000616169767 565192985 /nfs/dbraw/zinc/19/29/85/565192985.db2.gz UYTAKWYBGCSRIO-UHFFFAOYSA-N -1 1 388.829 2.577 20 30 GFEDMM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(F)cc1 ZINC000593538680 565339052 /nfs/dbraw/zinc/33/90/52/565339052.db2.gz UMJGAYYYJBFYCE-CYBMUJFWSA-N -1 1 382.438 2.732 20 30 GFEDMM C=CCCSCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000597974388 565585757 /nfs/dbraw/zinc/58/57/57/565585757.db2.gz LIFBRIBDHBMVEK-UHFFFAOYSA-N -1 1 397.349 2.697 20 30 GFEDMM C=CCC1(NC(=O)c2ccc(I)c([O-])c2)CCOCC1 ZINC000598177685 565597858 /nfs/dbraw/zinc/59/78/58/565597858.db2.gz LRZFOCMTMZYZJQ-UHFFFAOYSA-N -1 1 387.217 2.852 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)cc1Br ZINC000598621062 565630382 /nfs/dbraw/zinc/63/03/82/565630382.db2.gz FFFREXBFCVFICE-QMMMGPOBSA-N -1 1 383.189 2.783 20 30 GFEDMM N#CCN1CCC([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000609334590 566036020 /nfs/dbraw/zinc/03/60/20/566036020.db2.gz ROZTUXQXTDQUMC-UHFFFAOYSA-N -1 1 382.700 2.913 20 30 GFEDMM C=CCOc1ccc(OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)cc1 ZINC000819758601 599200921 /nfs/dbraw/zinc/20/09/21/599200921.db2.gz APFZILIPIINHMN-UHFFFAOYSA-N -1 1 395.419 2.687 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2occc2Br)o1 ZINC000735850431 599219748 /nfs/dbraw/zinc/21/97/48/599219748.db2.gz DYRUEWMIFMURFK-UHFFFAOYSA-N -1 1 380.206 2.855 20 30 GFEDMM N#CCOc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)cc1 ZINC000737697723 598531939 /nfs/dbraw/zinc/53/19/39/598531939.db2.gz LZQJOAHZCOCZCY-UHFFFAOYSA-N -1 1 392.806 2.786 20 30 GFEDMM Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2OC(F)F)cc1C(=O)[O-] ZINC000524379562 600814770 /nfs/dbraw/zinc/81/47/70/600814770.db2.gz LDSWONGGGSPYHZ-UHFFFAOYSA-N -1 1 382.344 2.967 20 30 GFEDMM Cc1cscc1C(=O)OCCc1c(C(=O)[O-])[nH]n(-c2ccc(C#N)cc2)c1=O ZINC000832989907 601142261 /nfs/dbraw/zinc/14/22/61/601142261.db2.gz JNLVJBXLOFINIR-UHFFFAOYSA-N -1 1 397.412 2.505 20 30 GFEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000825631889 601332854 /nfs/dbraw/zinc/33/28/54/601332854.db2.gz NQLFXFUVYJZKFN-YHYXMXQVSA-N -1 1 375.377 2.736 20 30 GFEDMM C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@](F)(C(=O)[O-])C3)sc2C1 ZINC000828310840 601554073 /nfs/dbraw/zinc/55/40/73/601554073.db2.gz PIBYAUSCEJCZDG-ZMZPIMSZSA-N -1 1 379.457 2.572 20 30 GFEDMM N#Cc1cc(F)c(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000833068993 601741001 /nfs/dbraw/zinc/74/10/01/601741001.db2.gz RGUBEFJMASIHIP-NRFANRHFSA-N -1 1 399.397 2.686 20 30 GFEDMM Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)c1C#N ZINC000832849321 601917077 /nfs/dbraw/zinc/91/70/77/601917077.db2.gz CUILWAFDERLZCD-NRFANRHFSA-N -1 1 398.438 2.840 20 30 GFEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c1C#N ZINC000832849936 601938737 /nfs/dbraw/zinc/93/87/37/601938737.db2.gz SXFMZZYRWKUQNI-OAQYLSRUSA-N -1 1 380.448 2.701 20 30 GFEDMM C=CCC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000823894004 607677601 /nfs/dbraw/zinc/67/76/01/607677601.db2.gz DNEXXEZIXAHHQA-HNNXBMFYSA-N -1 1 387.440 2.992 20 30 GFEDMM C=CCC[C@H](NS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000823894004 607677603 /nfs/dbraw/zinc/67/76/03/607677603.db2.gz DNEXXEZIXAHHQA-HNNXBMFYSA-N -1 1 387.440 2.992 20 30 GFEDMM C=CCC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823894481 607677811 /nfs/dbraw/zinc/67/78/11/607677811.db2.gz RGSKQWIODPRXDU-MRXNPFEDSA-N -1 1 387.440 2.992 20 30 GFEDMM N#Cc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c(OC(F)F)c1 ZINC000822826070 606591260 /nfs/dbraw/zinc/59/12/60/606591260.db2.gz UBRFKPHHDQUKOC-UHFFFAOYSA-N -1 1 394.341 2.703 20 30 GFEDMM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nn[n-]n4)s3)C2=O)s1 ZINC000822825425 607099066 /nfs/dbraw/zinc/09/90/66/607099066.db2.gz FGAALPWCAGNKPV-YOYBCKCWSA-N -1 1 381.442 2.928 20 30 GFEDMM C=CCC[C@H](OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C1CC1 ZINC000823894449 607779766 /nfs/dbraw/zinc/77/97/66/607779766.db2.gz QLJBCSDISPFJMN-KRWDZBQOSA-N -1 1 395.467 2.747 20 30 GFEDMM C=CCC[C@H](OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C1CC1 ZINC000823894449 607779767 /nfs/dbraw/zinc/77/97/67/607779767.db2.gz QLJBCSDISPFJMN-KRWDZBQOSA-N -1 1 395.467 2.747 20 30 GFEDMM N#Cc1[n-]c(NC(=O)c2cccc(-c3c(F)cccc3F)c2)nc1-c1nn[nH]n1 ZINC000826382385 607961175 /nfs/dbraw/zinc/96/11/75/607961175.db2.gz BRSXBVHMTGLUKJ-UHFFFAOYSA-N -1 1 392.329 2.659 20 30 GFEDMM Cc1nn(-c2ccccc2)c(CN(CCC#N)Cc2ccccn2)c1-c1nn[n-]n1 ZINC000826332620 608315664 /nfs/dbraw/zinc/31/56/64/608315664.db2.gz ZQFFPLZGBKGMPJ-UHFFFAOYSA-N -1 1 399.462 2.672 20 30 GFEDMM C[C@@H]1CCC[C@@H](OCCCCCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1 ZINC000824927578 608385676 /nfs/dbraw/zinc/38/56/76/608385676.db2.gz PRHOLZUHBBLQQX-CHWSQXEVSA-N -1 1 386.460 2.556 20 30 GFEDMM COc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826178732 608883755 /nfs/dbraw/zinc/88/37/55/608883755.db2.gz JUWCPCVAUINWFC-UHFFFAOYSA-N -1 1 386.372 2.515 20 30 GFEDMM C=C(C)[C@@H](CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)OCC ZINC000823872850 609286584 /nfs/dbraw/zinc/28/65/84/609286584.db2.gz FECNFZSETQQXQY-CQSZACIVSA-N -1 1 385.403 2.501 20 30 GFEDMM Cn1cc(C=CC(=O)c2cc(O)ccc2[O-])c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826359449 609309620 /nfs/dbraw/zinc/30/96/20/609309620.db2.gz HTFBYPPXLFAUSU-SOFGYWHQSA-N -1 1 388.387 2.575 20 30 GFEDMM C=CCOC[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)OC ZINC000817600691 660202205 /nfs/dbraw/zinc/20/22/05/660202205.db2.gz SJMSTBUDPCDSMW-GFCCVEGCSA-N -1 1 382.190 2.946 20 30 GFEDMM Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1ccc([O-])c(Cl)c1 ZINC000122592669 654739830 /nfs/dbraw/zinc/73/98/30/654739830.db2.gz RJSZDRWLONGUBK-FNORWQNLSA-N -1 1 382.869 2.800 20 30 GFEDMM CSc1cc(C)ccc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000126245547 654811369 /nfs/dbraw/zinc/81/13/69/654811369.db2.gz PCWOYQCOVPRWEO-UHFFFAOYSA-N -1 1 377.447 2.975 20 30 GFEDMM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000059771805 654825757 /nfs/dbraw/zinc/82/57/57/654825757.db2.gz JPAGWMQTWUUVLK-UHFFFAOYSA-N -1 1 384.866 2.724 20 30 GFEDMM C[C@H](NC(=O)C(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000299475442 655376585 /nfs/dbraw/zinc/37/65/85/655376585.db2.gz YXNHBXDGRNBPKJ-SSDLBLMSSA-N -1 1 378.219 2.751 20 30 GFEDMM C=C(Br)CNC(=O)c1cc(I)ccc1[O-] ZINC000222367066 655422202 /nfs/dbraw/zinc/42/22/02/655422202.db2.gz GHZRVZOFJAPYHN-UHFFFAOYSA-N -1 1 381.995 2.635 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=CC2=Cc3cc(Br)ccc3OC2)c(=O)o1 ZINC000255366192 655438538 /nfs/dbraw/zinc/43/85/38/655438538.db2.gz LMCLAMAMYNMRTO-POKLJVKSSA-N -1 1 389.201 2.996 20 30 GFEDMM O=c1nc(NN=Cc2ccc(-c3cccc(Br)c3)o2)nc2[nH][n-]cc1-2 ZINC000731155144 655582092 /nfs/dbraw/zinc/58/20/92/655582092.db2.gz ANGKBKAEOKDZQW-UHFFFAOYSA-N -1 1 399.208 2.901 20 30 GFEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000840945833 661214249 /nfs/dbraw/zinc/21/42/49/661214249.db2.gz YWEIWSBLGVFOMJ-UHFFFAOYSA-N -1 1 377.308 2.632 20 30 GFEDMM Cc1cc(Br)c([O-])c(C=NNc2ccccc2S(N)(=O)=O)c1 ZINC000773124133 656400313 /nfs/dbraw/zinc/40/03/13/656400313.db2.gz WMFUDMCNTCTSSH-UHFFFAOYSA-N -1 1 384.255 2.557 20 30 GFEDMM O=C([N-]C1CCC(CNC(=O)C(F)(F)C(F)F)CC1)C(F)(F)C(F)F ZINC000841411213 661261999 /nfs/dbraw/zinc/26/19/99/661261999.db2.gz KTHYHLAUOUEYHJ-UHFFFAOYSA-N -1 1 384.267 2.578 20 30 GFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C)ccnc1Br ZINC000789733894 657886641 /nfs/dbraw/zinc/88/66/41/657886641.db2.gz BARBTIWYJFJQFN-UHFFFAOYSA-N -1 1 382.239 2.834 20 30 GFEDMM O=S1(=O)[N-]C(=NN=C2CCc3ccc(Br)cc32)c2ccccc21 ZINC000800809585 659332185 /nfs/dbraw/zinc/33/21/85/659332185.db2.gz CICDZAOUVFBARM-UHFFFAOYSA-N -1 1 390.262 2.838 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809842909 659948481 /nfs/dbraw/zinc/94/84/81/659948481.db2.gz IZRYVFCHALKRAE-OTYXRUKQSA-N -1 1 378.809 2.647 20 30 GFEDMM CN(C)S(=O)(=O)c1ccc(NN=Cc2cccc(Br)c2[O-])cc1 ZINC000812230762 660021396 /nfs/dbraw/zinc/02/13/96/660021396.db2.gz HGEQLGGAFFULGY-UHFFFAOYSA-N -1 1 398.282 2.851 20 30 GFEDMM Cc1cc(Cl)cc2c1OCC2=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000814863326 660097448 /nfs/dbraw/zinc/09/74/48/660097448.db2.gz JQQLFHWXRVDDJU-UHFFFAOYSA-N -1 1 381.797 2.632 20 30 GFEDMM C#CC[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000844004812 661400050 /nfs/dbraw/zinc/40/00/50/661400050.db2.gz YVOCJBMANWEBNH-GFCCVEGCSA-N -1 1 389.304 2.534 20 30 GFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CCOCC1 ZINC000851827625 661835790 /nfs/dbraw/zinc/83/57/90/661835790.db2.gz OLFKQFSYTPIUBT-GFCCVEGCSA-N -1 1 393.248 2.608 20 30 GFEDMM CSCCNC(=S)NN=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872361441 662762510 /nfs/dbraw/zinc/76/25/10/662762510.db2.gz BFAILXFFLJWLFV-UHFFFAOYSA-N -1 1 375.545 2.651 20 30 GFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccc(C)c(C)c1 ZINC000914384378 664405019 /nfs/dbraw/zinc/40/50/19/664405019.db2.gz SXAJNNTUJAZPSG-INIZCTEOSA-N -1 1 378.475 2.570 20 30 GFEDMM CCOC(=O)[C@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccc(Cl)cc1 ZINC000915089629 664420822 /nfs/dbraw/zinc/42/08/22/664420822.db2.gz GOBJBHWCMXOSHU-OAHLLOKOSA-N -1 1 398.893 2.997 20 30 GFEDMM CC(C)S(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000112266947 551205689 /nfs/dbraw/zinc/20/56/89/551205689.db2.gz RTWMAROPDUIAGV-UHFFFAOYSA-N -1 1 378.475 2.682 20 30 GFEDMM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 ZINC000420736281 563281013 /nfs/dbraw/zinc/28/10/13/563281013.db2.gz YAMOBEKOZCNPIP-WDEREUQCSA-N -1 1 391.262 2.696 20 30 GFEDMM CCC1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCOCC1 ZINC000331292698 563544182 /nfs/dbraw/zinc/54/41/82/563544182.db2.gz BSYZMKKKXYAOKT-UHFFFAOYSA-N -1 1 391.262 2.697 20 30 GFEDMM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccco1 ZINC000433864655 563621774 /nfs/dbraw/zinc/62/17/74/563621774.db2.gz KZCKAYVXVKKJAA-ZDUSSCGKSA-N -1 1 385.239 2.580 20 30 GFEDMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444198673 563824256 /nfs/dbraw/zinc/82/42/56/563824256.db2.gz ULLJOKNPRSZCET-MRVPVSSYSA-N -1 1 397.268 2.617 20 30 GFEDMM CC(C)(CCC#N)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000564537651 564237584 /nfs/dbraw/zinc/23/75/84/564237584.db2.gz VPHMXCYOJUCKME-UHFFFAOYSA-N -1 1 392.308 2.718 20 30 GFEDMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1Cl ZINC000475803174 564320903 /nfs/dbraw/zinc/32/09/03/564320903.db2.gz IPIQMPDDDBERQN-UHFFFAOYSA-N -1 1 377.853 2.909 20 30 GFEDMM Cc1sc([N-]C(=O)c2nc3ncc(Br)cn3n2)c(C#N)c1C ZINC000512375273 564399682 /nfs/dbraw/zinc/39/96/82/564399682.db2.gz PCCGOTWPNTYMSK-UHFFFAOYSA-N -1 1 377.227 2.689 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCC(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000549546176 564597563 /nfs/dbraw/zinc/59/75/63/564597563.db2.gz VFJQMYJIKIZUQH-UHFFFAOYSA-N -1 1 388.232 2.765 20 30 GFEDMM CCc1[n-][nH]c(=NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1Br ZINC000560135807 564951490 /nfs/dbraw/zinc/95/14/90/564951490.db2.gz WBVANYQKPKHBEL-UHFFFAOYSA-N -1 1 388.147 2.694 20 30 GFEDMM CN(CC(=O)Nc1ccccc1Br)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589157600 565153545 /nfs/dbraw/zinc/15/35/45/565153545.db2.gz OVRBKXLVDNKSKZ-UHFFFAOYSA-N -1 1 388.221 2.737 20 30 GFEDMM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000590749875 565201033 /nfs/dbraw/zinc/20/10/33/565201033.db2.gz ZZVLRQQGPAPNAM-VHSXEESVSA-N -1 1 391.262 2.553 20 30 GFEDMM C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000657037182 566210679 /nfs/dbraw/zinc/21/06/79/566210679.db2.gz WNNDBNSKONYQJB-IUODEOHRSA-N -1 1 390.502 2.610 20 30 GFEDMM N#Cc1[n-]c(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)nc1-c1nn[nH]n1 ZINC000737706717 598430491 /nfs/dbraw/zinc/43/04/91/598430491.db2.gz YMYXALZSRLBYKD-BDAKNGLRSA-N -1 1 389.206 2.510 20 30 GFEDMM N#Cc1[n-]c(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)nc1-c1nn[nH]n1 ZINC000737706721 598430657 /nfs/dbraw/zinc/43/06/57/598430657.db2.gz YMYXALZSRLBYKD-RKDXNWHRSA-N -1 1 389.206 2.510 20 30 GFEDMM C=CCOc1cccc(NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])c1 ZINC000736114582 599815088 /nfs/dbraw/zinc/81/50/88/599815088.db2.gz XXFCKWCVPGGKNK-UHFFFAOYSA-N -1 1 397.430 2.599 20 30 GFEDMM COc1ccc(S(=O)(=O)Nc2nc(C)c(SCC#N)s2)cc1C(=O)[O-] ZINC000738070107 600659199 /nfs/dbraw/zinc/65/91/99/600659199.db2.gz ZSAUTZZTQIBTGQ-UHFFFAOYSA-N -1 1 399.475 2.575 20 30 GFEDMM COc1ccc(C)cc1CN1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832259156 601310568 /nfs/dbraw/zinc/31/05/68/601310568.db2.gz QLCNXHFOWUZCOR-NRFANRHFSA-N -1 1 379.460 2.819 20 30 GFEDMM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828425295 601512653 /nfs/dbraw/zinc/51/26/53/601512653.db2.gz YMEJIRABPZUASI-XUJVJEKNSA-N -1 1 375.494 2.868 20 30 GFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000738490785 602399586 /nfs/dbraw/zinc/39/95/86/602399586.db2.gz BDZMNRPWOFBWGZ-JKSUJKDBSA-N -1 1 379.526 2.973 20 30 GFEDMM C[C@@H](NC(=O)[O-])C1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000739029729 602447788 /nfs/dbraw/zinc/44/77/88/602447788.db2.gz WYMSNJKDYDRDBB-CJNGLKHVSA-N -1 1 393.447 2.592 20 30 GFEDMM Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)c1C#N ZINC000832849713 604744329 /nfs/dbraw/zinc/74/43/29/604744329.db2.gz QJWNVNDLZYYGMI-CYBMUJFWSA-N -1 1 398.463 2.742 20 30 GFEDMM N#CC(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000833064630 604879835 /nfs/dbraw/zinc/87/98/35/604879835.db2.gz TUXDWCNMBDOLTN-CYBMUJFWSA-N -1 1 392.350 2.525 20 30 GFEDMM N#CC1(NC(=O)Cc2ccc(NC(=O)[O-])cc2)CCN(Cc2ccccc2)CC1 ZINC000833963280 605415694 /nfs/dbraw/zinc/41/56/94/605415694.db2.gz KXSSVSUKFHNQAP-UHFFFAOYSA-N -1 1 392.459 2.994 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc([S@](C)=O)cc2)o1 ZINC000819781577 606034196 /nfs/dbraw/zinc/03/41/96/606034196.db2.gz ABFPNIRXMRXLGC-MHZLTWQESA-N -1 1 387.469 2.627 20 30 GFEDMM CC(=O)C1=C(c2ccc(C)cc2)NC(=S)N[C@H]1c1ccc(-c2nn[n-]n2)s1 ZINC000819781948 606394583 /nfs/dbraw/zinc/39/45/83/606394583.db2.gz FLAWXGUZVVYTIS-INIZCTEOSA-N -1 1 396.501 2.756 20 30 GFEDMM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400744 608093806 /nfs/dbraw/zinc/09/38/06/608093806.db2.gz HALLNNLAYWTXGS-DUXPYHPUSA-N -1 1 385.424 2.800 20 30 GFEDMM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400744 608093807 /nfs/dbraw/zinc/09/38/07/608093807.db2.gz HALLNNLAYWTXGS-DUXPYHPUSA-N -1 1 385.424 2.800 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2nc3ccc(Cl)cc3n2C)o1 ZINC000824352362 608110078 /nfs/dbraw/zinc/11/00/78/608110078.db2.gz BARXSBSRDZIADI-UHFFFAOYSA-N -1 1 385.819 2.964 20 30 GFEDMM N#Cc1cc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c[nH]1 ZINC000826383644 609216262 /nfs/dbraw/zinc/21/62/62/609216262.db2.gz JYDPCVKYNKOYHM-UHFFFAOYSA-N -1 1 375.417 2.725 20 30 GFEDMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000824147984 609233510 /nfs/dbraw/zinc/23/35/10/609233510.db2.gz KDQZGQSQGQZMTL-UHFFFAOYSA-N -1 1 376.424 2.626 20 30 GFEDMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000824147984 609233511 /nfs/dbraw/zinc/23/35/11/609233511.db2.gz KDQZGQSQGQZMTL-UHFFFAOYSA-N -1 1 376.424 2.626 20 30 GFEDMM N#Cc1ccc(F)c(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826385683 609279179 /nfs/dbraw/zinc/27/91/79/609279179.db2.gz WWSVFIAQXYOXCG-UHFFFAOYSA-N -1 1 378.346 2.814 20 30 GFEDMM C=CCOCCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000823926032 609604524 /nfs/dbraw/zinc/60/45/24/609604524.db2.gz WPDIUTGFWUXJSL-UHFFFAOYSA-N -1 1 384.465 2.597 20 30 GFEDMM Cc1cc(NC(=O)c2ccc(I)c([O-])c2)nn1CCC#N ZINC000545509114 650977844 /nfs/dbraw/zinc/97/78/44/650977844.db2.gz RBNIVUWZPJEKFG-UHFFFAOYSA-N -1 1 396.188 2.668 20 30 GFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000823909965 660382887 /nfs/dbraw/zinc/38/28/87/660382887.db2.gz ULYNCRBGOJWLHT-UHFFFAOYSA-N -1 1 378.845 2.635 20 30 GFEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000823909965 660382889 /nfs/dbraw/zinc/38/28/89/660382889.db2.gz ULYNCRBGOJWLHT-UHFFFAOYSA-N -1 1 378.845 2.635 20 30 GFEDMM N#CC1(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)CCSCC1 ZINC000827943774 660523811 /nfs/dbraw/zinc/52/38/11/660523811.db2.gz NXFOEVRVJVOUFA-UHFFFAOYSA-N -1 1 379.913 2.727 20 30 GFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ncccc2Br)c1 ZINC000135234601 655012187 /nfs/dbraw/zinc/01/21/87/655012187.db2.gz NNHIKVBSNSYURR-UHFFFAOYSA-N -1 1 396.266 2.561 20 30 GFEDMM C=CCSCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000194544288 655416128 /nfs/dbraw/zinc/41/61/28/655416128.db2.gz MIWXEXQJFDWPGU-UHFFFAOYSA-N -1 1 381.273 2.555 20 30 GFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)c1 ZINC000741655816 655707350 /nfs/dbraw/zinc/70/73/50/655707350.db2.gz GCLRYXMXEHACFI-UHFFFAOYSA-N -1 1 379.821 2.939 20 30 GFEDMM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)sc1Br ZINC000755444685 655883429 /nfs/dbraw/zinc/88/34/29/655883429.db2.gz ZPSDKHXAMDPUIZ-YFKPBYRVSA-N -1 1 388.106 2.854 20 30 GFEDMM CC(SCc1nc(=O)c2c(C)c(C)sc2[nH]1)=C([O-])N=C1C[C@H](C)ON1 ZINC000763257441 656077782 /nfs/dbraw/zinc/07/77/82/656077782.db2.gz CENSJXVISZVNRX-XVKPBYJWSA-N -1 1 380.495 2.874 20 30 GFEDMM COC(=O)c1ccc(C=NNc2ccc(C(=O)[O-])cn2)c(Br)c1 ZINC000789033163 657811929 /nfs/dbraw/zinc/81/19/29/657811929.db2.gz FDBCELHYDVKGKG-UHFFFAOYSA-N -1 1 378.182 2.775 20 30 GFEDMM C=C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F ZINC000795882488 658867292 /nfs/dbraw/zinc/86/72/92/658867292.db2.gz QZLSFIBNQFUZSV-QMMMGPOBSA-N -1 1 380.235 2.618 20 30 GFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OCC ZINC000867591868 662561516 /nfs/dbraw/zinc/56/15/16/662561516.db2.gz HTIGLWNSWBJNQZ-HNNXBMFYSA-N -1 1 382.869 2.729 20 30 GFEDMM C=C(Cl)C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)OCC ZINC000870032821 662672093 /nfs/dbraw/zinc/67/20/93/662672093.db2.gz OCIOTQNQZCBZKC-LLVKDONJSA-N -1 1 376.634 2.959 20 30 GFEDMM O=S(=O)([N-]CCOC(F)(F)C(F)(F)F)c1cnccc1C(F)(F)F ZINC000872561289 662777023 /nfs/dbraw/zinc/77/70/23/662777023.db2.gz SQRAEPIVXKQMGC-UHFFFAOYSA-N -1 1 388.236 2.550 20 30 GFEDMM CCOC(=O)[C@@](C)([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccccc1 ZINC000919967799 664520519 /nfs/dbraw/zinc/52/05/19/664520519.db2.gz LEENEFNPKBWEIV-KRWDZBQOSA-N -1 1 378.475 2.518 20 30 GFEDMM N#CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000126888721 551333910 /nfs/dbraw/zinc/33/39/10/551333910.db2.gz JPAJKRZREWMUBW-UHFFFAOYSA-N -1 1 394.250 2.503 20 30 GFEDMM N#Cc1ccccc1S(=O)(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000157130518 551533590 /nfs/dbraw/zinc/53/35/90/551533590.db2.gz AVTIUVJLMYLXGB-UHFFFAOYSA-N -1 1 381.207 2.820 20 30 GFEDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000193983345 553008668 /nfs/dbraw/zinc/00/86/68/553008668.db2.gz KNKJWJBGRYWZAQ-MRXNPFEDSA-N -1 1 378.837 2.794 20 30 GFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(I)cc1Cl ZINC000232147410 553066151 /nfs/dbraw/zinc/06/61/51/553066151.db2.gz YDCFYNKONPEEAH-MRVPVSSYSA-N -1 1 384.626 2.988 20 30 GFEDMM CC1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCOCC1 ZINC000296476229 563289197 /nfs/dbraw/zinc/28/91/97/563289197.db2.gz YBPBCSPPFGPJFP-UHFFFAOYSA-N -1 1 391.262 2.555 20 30 GFEDMM CCN(CC)c1[nH]nc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c1C#N ZINC000424208720 563373613 /nfs/dbraw/zinc/37/36/13/563373613.db2.gz KMHZLTUEHNZTMT-UHFFFAOYSA-N -1 1 381.889 2.765 20 30 GFEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H]1CCCC(C)(C)C1 ZINC000329891527 563490669 /nfs/dbraw/zinc/49/06/69/563490669.db2.gz HZTSNWOJGHRZGL-NSHDSACASA-N -1 1 375.516 2.608 20 30 GFEDMM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(=O)NCCC(F)(F)F ZINC000411266659 563613038 /nfs/dbraw/zinc/61/30/38/563613038.db2.gz KEBPFCXAGRCVMT-VIFPVBQESA-N -1 1 378.219 2.753 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1Br ZINC000436961772 563686807 /nfs/dbraw/zinc/68/68/07/563686807.db2.gz AKJIKKSGGOOSGF-UHFFFAOYSA-N -1 1 397.206 2.525 20 30 GFEDMM CCN(CC)c1[nH]nc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1C#N ZINC000446765764 563868851 /nfs/dbraw/zinc/86/88/51/563868851.db2.gz PVECDIGASRZIMG-UHFFFAOYSA-N -1 1 385.852 2.862 20 30 GFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@](C)(C#N)CSC ZINC000508043293 564251032 /nfs/dbraw/zinc/25/10/32/564251032.db2.gz UOWZDXBXHDOOJV-ZDUSSCGKSA-N -1 1 397.305 2.704 20 30 GFEDMM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451263509 564293303 /nfs/dbraw/zinc/29/33/03/564293303.db2.gz RBASPRHBBMKTIC-ONGXEEELSA-N -1 1 393.278 2.535 20 30 GFEDMM CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451373969 564305930 /nfs/dbraw/zinc/30/59/30/564305930.db2.gz IPGISGNNHQIRHP-ZANVPECISA-N -1 1 391.262 2.553 20 30 GFEDMM N#Cc1ccc(C(=O)N(CCO)Cc2ccc(Br)s2)cc1[O-] ZINC000482990865 564555278 /nfs/dbraw/zinc/55/52/78/564555278.db2.gz VGFCAABBCOLDOJ-UHFFFAOYSA-N -1 1 381.251 2.723 20 30 GFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C[S@@](C)=O)c2)n1 ZINC000518670844 564560073 /nfs/dbraw/zinc/56/00/73/564560073.db2.gz LWARRIHNOOVLSN-YMXBGEKHSA-N -1 1 376.459 2.688 20 30 GFEDMM N#C[C@@]1(NC(=O)c2c([O-])cnc3c(Br)cccc32)CCSC1 ZINC000589309041 565160341 /nfs/dbraw/zinc/16/03/41/565160341.db2.gz DFILZIUICGLXIE-HNNXBMFYSA-N -1 1 378.251 2.832 20 30 GFEDMM N#Cc1ccc(N2CCC([N-]S(=O)(=O)c3sccc3Cl)CC2)nc1 ZINC000590746375 565199981 /nfs/dbraw/zinc/19/99/81/565199981.db2.gz ZKFBDNDQARECQH-UHFFFAOYSA-N -1 1 382.898 2.615 20 30 GFEDMM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000592081848 565254667 /nfs/dbraw/zinc/25/46/67/565254667.db2.gz DQADCAIUCWDEMI-MWLCHTKSSA-N -1 1 393.278 2.535 20 30 GFEDMM N#Cc1ccc(OC2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cc1 ZINC000737721002 598965809 /nfs/dbraw/zinc/96/58/09/598965809.db2.gz FHSWRWAIPFVUMN-UHFFFAOYSA-N -1 1 398.430 2.729 20 30 GFEDMM N#Cc1ccc(OC2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)cc1 ZINC000737721002 598965811 /nfs/dbraw/zinc/96/58/11/598965811.db2.gz FHSWRWAIPFVUMN-UHFFFAOYSA-N -1 1 398.430 2.729 20 30 GFEDMM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736330819 599151875 /nfs/dbraw/zinc/15/18/75/599151875.db2.gz ZMZFDYFCUFZOGV-BLLLJJGKSA-N -1 1 389.419 2.736 20 30 GFEDMM C=CCc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000735443485 598686595 /nfs/dbraw/zinc/68/65/95/598686595.db2.gz WTAQARWOZBXSLZ-UHFFFAOYSA-N -1 1 390.396 2.511 20 30 GFEDMM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000833065331 601541607 /nfs/dbraw/zinc/54/16/07/601541607.db2.gz YGLQGNSPDRXDDQ-UWJYYQICSA-N -1 1 398.422 2.908 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](CN(C)C(=O)[O-])C2)cc1 ZINC000740129352 601850547 /nfs/dbraw/zinc/85/05/47/601850547.db2.gz BZYQBVINCUQYQE-ROUUACIJSA-N -1 1 386.496 2.952 20 30 GFEDMM C[C@H](NC(=O)[O-])[C@@H]1CCCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000739012732 602263556 /nfs/dbraw/zinc/26/35/56/602263556.db2.gz WCSXJQBIVZCYJT-LXZKKBNFSA-N -1 1 393.447 2.734 20 30 GFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(CN(C)C(=O)[O-])CC1 ZINC000738492892 602381559 /nfs/dbraw/zinc/38/15/59/602381559.db2.gz VIBQMWQODDWGRA-HNNXBMFYSA-N -1 1 379.526 2.973 20 30 GFEDMM CN(CC1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1)C(=O)[O-] ZINC000739666979 602382636 /nfs/dbraw/zinc/38/26/36/602382636.db2.gz WULVWOVZXHEUQE-INIZCTEOSA-N -1 1 393.447 2.545 20 30 GFEDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000833623852 605209126 /nfs/dbraw/zinc/20/91/26/605209126.db2.gz GORGASVMYFJSLH-MRXNPFEDSA-N -1 1 392.459 2.923 20 30 GFEDMM N#CCSc1ccccc1NC(=O)CN1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1 ZINC000833966899 605449741 /nfs/dbraw/zinc/44/97/41/605449741.db2.gz FMCLXAOOXMDWHD-ZNMIVQPWSA-N -1 1 388.493 2.609 20 30 GFEDMM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000822800997 606557340 /nfs/dbraw/zinc/55/73/40/606557340.db2.gz CYBWJXUBFZGBTC-JTQLQIEISA-N -1 1 394.338 2.821 20 30 GFEDMM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000822800997 606557341 /nfs/dbraw/zinc/55/73/41/606557341.db2.gz CYBWJXUBFZGBTC-JTQLQIEISA-N -1 1 394.338 2.821 20 30 GFEDMM C=CCC[C@@H](OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C)C1CC1 ZINC000823894450 607779782 /nfs/dbraw/zinc/77/97/82/607779782.db2.gz QLJBCSDISPFJMN-QGZVFWFLSA-N -1 1 395.467 2.747 20 30 GFEDMM C=CCC[C@@H](OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C)C1CC1 ZINC000823894450 607779783 /nfs/dbraw/zinc/77/97/83/607779783.db2.gz QLJBCSDISPFJMN-QGZVFWFLSA-N -1 1 395.467 2.747 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000826322949 607808201 /nfs/dbraw/zinc/80/82/01/607808201.db2.gz IQWQNJNMSJSJKO-LLVKDONJSA-N -1 1 382.384 2.882 20 30 GFEDMM C=C(C)[C@H](CC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)OCC ZINC000823874453 607920335 /nfs/dbraw/zinc/92/03/35/607920335.db2.gz XDEYMEAXNXVHNP-KRWDZBQOSA-N -1 1 396.451 2.775 20 30 GFEDMM C#CCOc1ccccc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823861986 609319524 /nfs/dbraw/zinc/31/95/24/609319524.db2.gz WHXALDLIPKKXAA-UHFFFAOYSA-N -1 1 389.394 2.816 20 30 GFEDMM S=C1N=NC(CSc2ccccc2)N1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000826512051 609454240 /nfs/dbraw/zinc/45/42/40/609454240.db2.gz MWHKWMFEZUJBGM-UHFFFAOYSA-N -1 1 384.450 2.514 20 30 GFEDMM S=C1N=NC(CSc2ccccc2)N1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000826512051 609454242 /nfs/dbraw/zinc/45/42/42/609454242.db2.gz MWHKWMFEZUJBGM-UHFFFAOYSA-N -1 1 384.450 2.514 20 30 GFEDMM Cc1onc(CC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1-c1nnn[n-]1 ZINC000826348075 609471226 /nfs/dbraw/zinc/47/12/26/609471226.db2.gz SOSYCAFRLYOTSC-UHFFFAOYSA-N -1 1 399.414 2.561 20 30 GFEDMM Cc1onc(CC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1-c1nn[n-]n1 ZINC000826348075 609471229 /nfs/dbraw/zinc/47/12/29/609471229.db2.gz SOSYCAFRLYOTSC-UHFFFAOYSA-N -1 1 399.414 2.561 20 30 GFEDMM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000121809917 654724340 /nfs/dbraw/zinc/72/43/40/654724340.db2.gz QFBAOQHVYZHEPZ-LLVKDONJSA-N -1 1 376.232 2.574 20 30 GFEDMM N#CC1([N-]S(=O)(=O)c2c(Br)cc(F)cc2Br)CC1 ZINC000123209682 654753301 /nfs/dbraw/zinc/75/33/01/654753301.db2.gz APODJFCGVPKRMK-UHFFFAOYSA-N -1 1 398.051 2.685 20 30 GFEDMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000274239242 655181194 /nfs/dbraw/zinc/18/11/94/655181194.db2.gz WVQOEPLZBNIXGM-QMMMGPOBSA-N -1 1 397.268 2.617 20 30 GFEDMM CC(N=Nc1nc2[nH][n-]cc-2c(=O)n1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000749859873 655808258 /nfs/dbraw/zinc/80/82/58/655808258.db2.gz UMDAFUWYEOICLY-MRVPVSSYSA-N -1 1 381.223 2.994 20 30 GFEDMM Cn1c(=O)c2ccccc2nc1NN=Cc1cc(O)cc(Br)c1[O-] ZINC000755605428 655886161 /nfs/dbraw/zinc/88/61/61/655886161.db2.gz YCRMVZQDYBMLSD-UHFFFAOYSA-N -1 1 389.209 2.553 20 30 GFEDMM CS(=O)(=O)c1ccc(NN=Cc2cc(O)c([O-])c(Br)c2)cc1 ZINC000757578231 655913403 /nfs/dbraw/zinc/91/34/03/655913403.db2.gz LPPAVICOLASLGJ-UHFFFAOYSA-N -1 1 385.239 2.710 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(I)c2)c(=O)o1 ZINC000789126337 657821311 /nfs/dbraw/zinc/82/13/11/657821311.db2.gz FYGHKTZHTDGIPF-GJBLVYBDSA-N -1 1 382.153 2.519 20 30 GFEDMM C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccc(Cl)cc1F ZINC000796084516 658887439 /nfs/dbraw/zinc/88/74/39/658887439.db2.gz MDWVOPKIEYLDRD-CYBMUJFWSA-N -1 1 385.800 2.820 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cscc1C(F)(F)F ZINC000811644296 660013937 /nfs/dbraw/zinc/01/39/37/660013937.db2.gz ULNRGGJTAIGRDF-UHFFFAOYSA-N -1 1 379.341 2.988 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000813698526 660061281 /nfs/dbraw/zinc/06/12/81/660061281.db2.gz WAYVRASUKVMVQE-UHFFFAOYSA-N -1 1 385.214 2.644 20 30 GFEDMM CC(=NNCCN1CCCCC1)c1cc(Br)ccc1OCC(=O)[O-] ZINC000814808285 660096623 /nfs/dbraw/zinc/09/66/23/660096623.db2.gz GHXSSBINMNGVRP-UHFFFAOYSA-N -1 1 398.301 2.712 20 30 GFEDMM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000859251758 662147909 /nfs/dbraw/zinc/14/79/09/662147909.db2.gz DNBIIXCGEUJUET-UHFFFAOYSA-N -1 1 380.260 2.709 20 30 GFEDMM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000882847901 663043833 /nfs/dbraw/zinc/04/38/33/663043833.db2.gz VFBGPSKLFONEIF-SECBINFHSA-N -1 1 386.670 2.847 20 30 GFEDMM C#CCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCOCC1 ZINC000885840818 663099000 /nfs/dbraw/zinc/09/90/00/663099000.db2.gz QMLPXERTNMKKCD-UHFFFAOYSA-N -1 1 393.248 2.752 20 30 GFEDMM C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(Br)ccc2[O-])c1 ZINC000918330107 664498201 /nfs/dbraw/zinc/49/82/01/664498201.db2.gz YMPPXQAQHKUFBC-UHFFFAOYSA-N -1 1 387.233 2.847 20 30 GFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1C ZINC000192130052 552552349 /nfs/dbraw/zinc/55/23/49/552552349.db2.gz PHJDSGZTYXZRNU-AWEZNQCLSA-N -1 1 378.475 2.790 20 30 GFEDMM Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c1 ZINC000192127424 552552457 /nfs/dbraw/zinc/55/24/57/552552457.db2.gz XVTBUALDEZMTON-CQSZACIVSA-N -1 1 378.475 2.623 20 30 GFEDMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000193357268 552991169 /nfs/dbraw/zinc/99/11/69/552991169.db2.gz KOVTYNHXYXIKJE-UHFFFAOYSA-N -1 1 378.475 2.574 20 30 GFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)cc(C)c1F ZINC000430659705 563547525 /nfs/dbraw/zinc/54/75/25/563547525.db2.gz BFFYKNLWSIDVMV-UHFFFAOYSA-N -1 1 382.438 2.541 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CCOCC2)o1 ZINC000286630288 563568706 /nfs/dbraw/zinc/56/87/06/563568706.db2.gz NCNJFAJSEGNYDX-UHFFFAOYSA-N -1 1 380.853 2.831 20 30 GFEDMM Cc1nc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c(Br)n1C ZINC000287800467 563618002 /nfs/dbraw/zinc/61/80/02/563618002.db2.gz LRQNOIJYLXNSHD-CYBMUJFWSA-N -1 1 397.298 2.814 20 30 GFEDMM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000508074806 564252590 /nfs/dbraw/zinc/25/25/90/564252590.db2.gz STFJYFJOEFIPCN-LBPRGKRZSA-N -1 1 381.292 2.902 20 30 GFEDMM CC(C)(CO)CCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451246453 564291258 /nfs/dbraw/zinc/29/12/58/564291258.db2.gz WIHUHUIGEIHPMF-UHFFFAOYSA-N -1 1 393.278 2.537 20 30 GFEDMM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451243810 564291458 /nfs/dbraw/zinc/29/14/58/564291458.db2.gz CUXYCTZZHVSVMA-SECBINFHSA-N -1 1 393.278 2.942 20 30 GFEDMM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1ccccc1Br ZINC000553768512 564734906 /nfs/dbraw/zinc/73/49/06/564734906.db2.gz SZOHFLWJUZFEMN-SNVBAGLBSA-N -1 1 385.239 2.660 20 30 GFEDMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000462682804 564854506 /nfs/dbraw/zinc/85/45/06/564854506.db2.gz MUYRDNVVKXVUKN-QMMMGPOBSA-N -1 1 397.268 2.617 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000614298192 565105933 /nfs/dbraw/zinc/10/59/33/565105933.db2.gz OWKAWLVNMCYZKA-ZDUSSCGKSA-N -1 1 381.215 2.740 20 30 GFEDMM C=CCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000589432360 565162308 /nfs/dbraw/zinc/16/23/08/565162308.db2.gz PPDVZAFLDWLBIN-UHFFFAOYSA-N -1 1 380.491 2.602 20 30 GFEDMM CC(C)c1cc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)on1 ZINC000591325252 565223784 /nfs/dbraw/zinc/22/37/84/565223784.db2.gz WBYUWVXSTZGROL-UHFFFAOYSA-N -1 1 384.255 2.911 20 30 GFEDMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cccc(C#N)c1Br ZINC000591339693 565225112 /nfs/dbraw/zinc/22/51/12/565225112.db2.gz SZIDVZFCBJXSHS-UHFFFAOYSA-N -1 1 397.298 2.980 20 30 GFEDMM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000592115172 565257747 /nfs/dbraw/zinc/25/77/47/565257747.db2.gz RVAFUVPEVGKHRQ-HQJQHLMTSA-N -1 1 379.276 2.632 20 30 GFEDMM N#Cc1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)ccc1Cl ZINC000594488558 565395727 /nfs/dbraw/zinc/39/57/27/565395727.db2.gz SPYGIJMSEWLHLC-MFKMUULPSA-N -1 1 382.791 2.990 20 30 GFEDMM N#Cc1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1Cl ZINC000594488557 565396183 /nfs/dbraw/zinc/39/61/83/565396183.db2.gz SPYGIJMSEWLHLC-GXFFZTMASA-N -1 1 382.791 2.990 20 30 GFEDMM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735419756 598757282 /nfs/dbraw/zinc/75/72/82/598757282.db2.gz ZRZYXNXSIMYEPM-UHFFFAOYSA-N -1 1 379.461 2.763 20 30 GFEDMM N#Cc1ccccc1N1CCCN(Cn2ncc3cc(C(=O)[O-])ccc32)CC1 ZINC000739146680 600028907 /nfs/dbraw/zinc/02/89/07/600028907.db2.gz LEFQDFCOAFAQQC-UHFFFAOYSA-N -1 1 375.432 2.776 20 30 GFEDMM Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(C)C[C@H](C)C(=O)[O-])c1C#N ZINC000738252392 600366457 /nfs/dbraw/zinc/36/64/57/600366457.db2.gz AZWBWUCVKULULB-LBPRGKRZSA-N -1 1 386.427 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N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)cc1Br ZINC000590749950 565200883 /nfs/dbraw/zinc/20/08/83/565200883.db2.gz KFXOHMUNJGPKEZ-QMMMGPOBSA-N -1 1 383.189 2.926 20 30 GFEDMM C=C(C)C[C@@H](NC(C)=O)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000616798607 565209300 /nfs/dbraw/zinc/20/93/00/565209300.db2.gz FTFHZRKECROECT-LLVKDONJSA-N -1 1 397.298 2.732 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)N(CCO)Cc2cc(Br)cs2)c1 ZINC000617417646 565237009 /nfs/dbraw/zinc/23/70/09/565237009.db2.gz RMANTENFERBLHR-UHFFFAOYSA-N -1 1 381.251 2.723 20 30 GFEDMM N#C[C@@H](NC(=O)c1csc(=NC2CC2)[n-]1)c1ccccc1Br ZINC000598386141 565612111 /nfs/dbraw/zinc/61/21/11/565612111.db2.gz GAGIINSCJUCEAQ-GFCCVEGCSA-N -1 1 377.267 2.896 20 30 GFEDMM C=CC(C)(C)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000625325883 565618612 /nfs/dbraw/zinc/61/86/12/565618612.db2.gz JQTNFVGVONNKOZ-UHFFFAOYSA-N -1 1 392.518 2.858 20 30 GFEDMM C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000657037181 566210945 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GFEDMM COc1ccc(CN2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1F ZINC000737996208 600562442 /nfs/dbraw/zinc/56/24/42/600562442.db2.gz BUASJNLKFRFYGN-HXUWFJFHSA-N -1 1 383.423 2.649 20 30 GFEDMM Cc1cc(C)n(N=Cc2cc(F)cc(C(F)(F)F)c2)c(=O)c1-c1nn[n-]n1 ZINC000822198962 607463154 /nfs/dbraw/zinc/46/31/54/607463154.db2.gz QGHXGSPGRJNGBQ-UHFFFAOYSA-N -1 1 380.305 2.685 20 30 GFEDMM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1OC ZINC000484989883 600897707 /nfs/dbraw/zinc/89/77/07/600897707.db2.gz ULOMHADJEDRFMK-UHFFFAOYSA-N -1 1 396.808 2.728 20 30 GFEDMM Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1C#N ZINC000832850041 601530300 /nfs/dbraw/zinc/53/03/00/601530300.db2.gz YTZZZSYJFAOTRF-SGTLLEGYSA-N -1 1 398.438 2.696 20 30 GFEDMM C=CCn1c(=O)[nH]nc1SCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000825711324 601865305 /nfs/dbraw/zinc/86/53/05/601865305.db2.gz ZFJPLTSZBHARNE-UHFFFAOYSA-N -1 1 394.478 2.539 20 30 GFEDMM N#Cc1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826387050 607574310 /nfs/dbraw/zinc/57/43/10/607574310.db2.gz DOZJAHAHXAWSOG-UHFFFAOYSA-N -1 1 395.322 2.525 20 30 GFEDMM N#Cc1ccc(CCC(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cc1 ZINC000740313143 603060419 /nfs/dbraw/zinc/06/04/19/603060419.db2.gz QBQBPNCDAPOJDU-UHFFFAOYSA-N -1 1 390.403 2.682 20 30 GFEDMM N#Cc1ccc(CCC(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cc1 ZINC000740313143 603060425 /nfs/dbraw/zinc/06/04/25/603060425.db2.gz QBQBPNCDAPOJDU-UHFFFAOYSA-N -1 1 390.403 2.682 20 30 GFEDMM C=CCOc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000823932363 607653485 /nfs/dbraw/zinc/65/34/85/607653485.db2.gz VRJWPCCGPZEBQR-UHFFFAOYSA-N -1 1 392.824 2.853 20 30 GFEDMM C=CCOc1ccc(OS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000823932363 607653486 /nfs/dbraw/zinc/65/34/86/607653486.db2.gz VRJWPCCGPZEBQR-UHFFFAOYSA-N -1 1 392.824 2.853 20 30 GFEDMM C[C@@H]1C[C@@H](CNC(=O)[O-])CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000833833135 605906072 /nfs/dbraw/zinc/90/60/72/605906072.db2.gz WJZIKUYHUGHTCC-KGLIPLIRSA-N -1 1 378.860 2.565 20 30 GFEDMM N#Cc1ccc(CN2CCCN(C(=O)Cc3ccccc3NC(=O)[O-])CC2)cc1 ZINC000833972272 606042175 /nfs/dbraw/zinc/04/21/75/606042175.db2.gz YCPVLTSWPXKNGP-UHFFFAOYSA-N -1 1 392.459 2.925 20 30 GFEDMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)c1cc(C#N)c[nH]1 ZINC000822211553 606315330 /nfs/dbraw/zinc/31/53/30/606315330.db2.gz DQVJSNYEJSXGHE-UHFFFAOYSA-N -1 1 386.375 2.815 20 30 GFEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000822010227 606358973 /nfs/dbraw/zinc/35/89/73/606358973.db2.gz TWOVGZPFVDJDJI-ZDUSSCGKSA-N -1 1 392.419 2.693 20 30 GFEDMM COc1ccccc1N=C1SCCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821898195 606489128 /nfs/dbraw/zinc/48/91/28/606489128.db2.gz NSOSELHRHDENQU-UHFFFAOYSA-N -1 1 386.462 2.814 20 30 GFEDMM COc1ccccc1N=C1SCCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821898195 606489129 /nfs/dbraw/zinc/48/91/29/606489129.db2.gz NSOSELHRHDENQU-UHFFFAOYSA-N -1 1 386.462 2.814 20 30 GFEDMM N#Cc1ccc(F)cc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000822829643 607040625 /nfs/dbraw/zinc/04/06/25/607040625.db2.gz BLBTVDCNXMVPPH-UHFFFAOYSA-N -1 1 380.770 2.894 20 30 GFEDMM COc1cc2c(c(CN=Nc3oc(C(C)(C)C)nc3-c3nn[n-]n3)c1)O[C@@H](C)C2 ZINC000826178755 607887840 /nfs/dbraw/zinc/88/78/40/607887840.db2.gz KVXXLQIVHOCYOJ-JTQLQIEISA-N -1 1 397.439 2.930 20 30 GFEDMM C#CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000022763064 654534682 /nfs/dbraw/zinc/53/46/82/654534682.db2.gz HRJBFTJYCTZDQB-UHFFFAOYSA-N -1 1 393.262 2.613 20 30 GFEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc2c(c(Br)c1)OCO2 ZINC000055192964 654770583 /nfs/dbraw/zinc/77/05/83/654770583.db2.gz PBACDMRQFNIZEO-UHFFFAOYSA-N -1 1 379.092 2.951 20 30 GFEDMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)N1CCCCC1 ZINC000124601020 654779280 /nfs/dbraw/zinc/77/92/80/654779280.db2.gz SXMBGFANWSTFFN-MRXNPFEDSA-N -1 1 383.901 2.527 20 30 GFEDMM CS(=O)(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000058497546 654818725 /nfs/dbraw/zinc/81/87/25/654818725.db2.gz UJXZTMDDNYBBMQ-UHFFFAOYSA-N -1 1 384.866 2.557 20 30 GFEDMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000069422980 654981442 /nfs/dbraw/zinc/98/14/42/654981442.db2.gz TVPJLFIPRDHOBV-JGVFFNPUSA-N -1 1 375.237 2.907 20 30 GFEDMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000069422980 654981443 /nfs/dbraw/zinc/98/14/43/654981443.db2.gz TVPJLFIPRDHOBV-JGVFFNPUSA-N -1 1 375.237 2.907 20 30 GFEDMM C=CCn1c(-c2sc(NC(=O)c3cn(C)nc3C)nc2C)n[n-]c1=S ZINC000113181670 655204611 /nfs/dbraw/zinc/20/46/11/655204611.db2.gz YNNIIPWRUZSUPJ-UHFFFAOYSA-N -1 1 375.483 2.853 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=CC2=Cc3cc(Br)ccc3OC2)c(=O)o1 ZINC000194571342 655416262 /nfs/dbraw/zinc/41/62/62/655416262.db2.gz LMCLAMAMYNMRTO-NKEDHYFDSA-N -1 1 389.201 2.996 20 30 GFEDMM N#Cc1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)cc1C(F)(F)F ZINC000576916598 655454473 /nfs/dbraw/zinc/45/44/73/655454473.db2.gz LCDYDUBLLREMBE-UHFFFAOYSA-N -1 1 376.278 2.898 20 30 GFEDMM O=c1nc(C=N[O-])ccn1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000754287294 655866155 /nfs/dbraw/zinc/86/61/55/655866155.db2.gz JPRVOUNVMLHOJT-UHFFFAOYSA-N -1 1 375.182 2.517 20 30 GFEDMM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000766505060 656173730 /nfs/dbraw/zinc/17/37/30/656173730.db2.gz JCMPMZUTBINXNZ-ZDUSSCGKSA-N -1 1 390.259 2.964 20 30 GFEDMM COc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cnc1Br ZINC000788351033 657700160 /nfs/dbraw/zinc/70/01/60/657700160.db2.gz WUOLTPZDFIIKHU-NSHDSACASA-N -1 1 390.241 2.661 20 30 GFEDMM CC[C@@H](NN=Cc1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000793073377 658356184 /nfs/dbraw/zinc/35/61/84/658356184.db2.gz UINSPAMFZNEJTG-SECBINFHSA-N -1 1 380.036 2.704 20 30 GFEDMM Cc1cc(=O)[n-]c(NN=Cc2c(F)ccc(I)c2F)n1 ZINC000794446730 658546631 /nfs/dbraw/zinc/54/66/31/658546631.db2.gz CUVANTJQBSZAEM-UHFFFAOYSA-N -1 1 390.131 2.819 20 30 GFEDMM N#Cc1cccnc1NCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000797822689 659055310 /nfs/dbraw/zinc/05/53/10/659055310.db2.gz XLZNPMRUXJECEG-UHFFFAOYSA-N -1 1 389.239 2.790 20 30 GFEDMM C[C@H]1CCN(CCOCC(F)(F)C(F)F)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805788337 659807559 /nfs/dbraw/zinc/80/75/59/659807559.db2.gz LGSMBHTZRQLFET-GUBZILKMSA-N -1 1 382.320 2.681 20 30 GFEDMM N#CC1CCC(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809844226 659948471 /nfs/dbraw/zinc/94/84/71/659948471.db2.gz VFYOFPLJYIGDQL-UHFFFAOYSA-N -1 1 375.809 2.996 20 30 GFEDMM COc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1C#N ZINC000810083031 659960112 /nfs/dbraw/zinc/96/01/12/659960112.db2.gz WFZRJBTVFYTGIH-UHFFFAOYSA-N -1 1 381.797 2.607 20 30 GFEDMM CC(C)(C)NS(=O)(=O)c1ccc(N=NCc2cccc([O-])c2Cl)nc1 ZINC000814799372 660096350 /nfs/dbraw/zinc/09/63/50/660096350.db2.gz DMVHPYDCZKLBBY-UHFFFAOYSA-N -1 1 382.873 2.963 20 30 GFEDMM CC(C)(C)c1cnc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000814822161 660096824 /nfs/dbraw/zinc/09/68/24/660096824.db2.gz IRHAZXAOMFRYNW-UHFFFAOYSA-N -1 1 382.467 2.802 20 30 GFEDMM CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2cccc([O-])c2Cl)cc1 ZINC000814880371 660097915 /nfs/dbraw/zinc/09/79/15/660097915.db2.gz BSUMNOSYONOPOS-UHFFFAOYSA-N -1 1 382.825 2.535 20 30 GFEDMM C=CCN(CC=C)[C@@H](CNS(=O)(=O)c1cc(C)c(C(=O)[O-])s1)C(C)C ZINC000871945886 662744992 /nfs/dbraw/zinc/74/49/92/662744992.db2.gz BLLRXCIOOOUCNP-AWEZNQCLSA-N -1 1 386.539 2.732 20 30 GFEDMM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F ZINC000901769473 663745259 /nfs/dbraw/zinc/74/52/59/663745259.db2.gz JWRRPRJHIZRYKT-SECBINFHSA-N -1 1 392.277 2.717 20 30 GFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2c(Br)cnn2C2CC2)c1 ZINC000903673533 663801431 /nfs/dbraw/zinc/80/14/31/663801431.db2.gz XCZNMGCPFRSCSA-UHFFFAOYSA-N -1 1 381.255 2.847 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-]CC2(CC#N)CC2)c1F ZINC000915177085 664422751 /nfs/dbraw/zinc/42/27/51/664422751.db2.gz KSGHYAZSGIJENI-UHFFFAOYSA-N -1 1 377.235 2.569 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)c1F ZINC000916669795 664468774 /nfs/dbraw/zinc/46/87/74/664468774.db2.gz OMOBXCHPBDKOSQ-UHFFFAOYSA-N -1 1 391.262 2.959 20 30 GFEDMM CC[C@@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1nc(C)cs1 ZINC000122137064 551295071 /nfs/dbraw/zinc/29/50/71/551295071.db2.gz PAOAQIGYORZZTD-OAHLLOKOSA-N -1 1 380.451 2.835 20 30 GFEDMM N#Cc1nc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)[n-]c1C#N ZINC000122552678 551299681 /nfs/dbraw/zinc/29/96/81/551299681.db2.gz BWCUOEJOBUFJPP-UHFFFAOYSA-N -1 1 382.181 2.558 20 30 GFEDMM COc1cc(Br)c(CNC(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000188036418 552432350 /nfs/dbraw/zinc/43/23/50/552432350.db2.gz IUSPRRBXOFGCJR-UHFFFAOYSA-N -1 1 391.221 2.974 20 30 GFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000190830865 552510700 /nfs/dbraw/zinc/51/07/00/552510700.db2.gz DMRSPODICILQLK-UHFFFAOYSA-N -1 1 384.866 2.724 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(I)c([O-])c1 ZINC000437503614 563696214 /nfs/dbraw/zinc/69/62/14/563696214.db2.gz XZKUAANOEJMRBZ-FZMZJTMJSA-N -1 1 387.217 2.708 20 30 GFEDMM COC(=O)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Br)cc1 ZINC000442942249 563785389 /nfs/dbraw/zinc/78/53/89/563785389.db2.gz PGIIAGWNONDYFV-OAHLLOKOSA-N -1 1 389.205 2.670 20 30 GFEDMM CCN(CC)c1[nH]nc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1C#N ZINC000446765440 563868501 /nfs/dbraw/zinc/86/85/01/563868501.db2.gz ONNBZTPODXZNIV-UHFFFAOYSA-N -1 1 385.852 2.862 20 30 GFEDMM C[C@@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000446766255 563868803 /nfs/dbraw/zinc/86/88/03/563868803.db2.gz DPCHQVCTQAQHMV-LBPRGKRZSA-N -1 1 398.893 2.968 20 30 GFEDMM COCCCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451138346 564278872 /nfs/dbraw/zinc/27/88/72/564278872.db2.gz YLFNJSMJXMRADM-UHFFFAOYSA-N -1 1 379.251 2.555 20 30 GFEDMM C=CCN(c1ccccc1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000477196169 564368723 /nfs/dbraw/zinc/36/87/23/564368723.db2.gz SFMDTISEIFDWOI-UHFFFAOYSA-N -1 1 384.454 2.579 20 30 GFEDMM C=CCC1(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCCC1 ZINC000451935359 564370330 /nfs/dbraw/zinc/37/03/30/564370330.db2.gz FAMSNSURRQQBOA-UHFFFAOYSA-N -1 1 390.502 2.755 20 30 GFEDMM COC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)c1ccc(Cl)cc1Cl ZINC000544104204 564375408 /nfs/dbraw/zinc/37/54/08/564375408.db2.gz HFQQSOPCLJQZQK-CYBMUJFWSA-N -1 1 379.265 2.821 20 30 GFEDMM N#CC1(CS(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)CCCC1 ZINC000544714525 564395226 /nfs/dbraw/zinc/39/52/26/564395226.db2.gz IQZYQYPJHDYUKJ-UHFFFAOYSA-N -1 1 380.857 2.893 20 30 GFEDMM COCC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccco1 ZINC000561529445 564999788 /nfs/dbraw/zinc/99/97/88/564999788.db2.gz AUVLGZLLLKVFIN-ZDUSSCGKSA-N -1 1 399.266 2.970 20 30 GFEDMM Cc1cc(I)cnc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589187794 565155050 /nfs/dbraw/zinc/15/50/50/565155050.db2.gz TZYCRLWGCBEIRG-UHFFFAOYSA-N -1 1 379.157 2.824 20 30 GFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@@]1(C#N)CC1(C)C ZINC000589597563 565168311 /nfs/dbraw/zinc/16/83/11/565168311.db2.gz MMEYWERUPVUVQK-CQSZACIVSA-N -1 1 377.249 2.751 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1Br ZINC000618973448 565324349 /nfs/dbraw/zinc/32/43/49/565324349.db2.gz UJBKTZBLZDQCNE-UHFFFAOYSA-N -1 1 377.223 2.769 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1Cl ZINC000594485679 565394599 /nfs/dbraw/zinc/39/45/99/565394599.db2.gz BNUCVCKUUYNRTH-MFKMUULPSA-N -1 1 382.791 2.990 20 30 GFEDMM CCN(CC)c1ccc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)cc1F ZINC000736532009 598824764 /nfs/dbraw/zinc/82/47/64/598824764.db2.gz OZKDVJGWGSMWQX-UHFFFAOYSA-N -1 1 383.431 2.513 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c(-c3ccccc3)n2)o1 ZINC000735851272 599067117 /nfs/dbraw/zinc/06/71/17/599067117.db2.gz OQDKSYAPAKBZAF-UHFFFAOYSA-N -1 1 377.412 2.889 20 30 GFEDMM Cc1cc(C)n(N=Cc2ccc(F)cc2C(F)(F)F)c(=O)c1-c1nn[n-]n1 ZINC000822198771 607370207 /nfs/dbraw/zinc/37/02/07/607370207.db2.gz JTVIBHCCSMRRKA-UHFFFAOYSA-N -1 1 380.305 2.685 20 30 GFEDMM N#Cc1ccc(NC(=O)CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000739123265 600143703 /nfs/dbraw/zinc/14/37/03/600143703.db2.gz PCTMHFCOIWAWCP-UHFFFAOYSA-N -1 1 387.823 2.833 20 30 GFEDMM N#Cc1ccc(NC(=O)CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000739123265 600143705 /nfs/dbraw/zinc/14/37/05/600143705.db2.gz PCTMHFCOIWAWCP-UHFFFAOYSA-N -1 1 387.823 2.833 20 30 GFEDMM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000833065330 601541553 /nfs/dbraw/zinc/54/15/53/601541553.db2.gz YGLQGNSPDRXDDQ-UTKZUKDTSA-N -1 1 398.422 2.908 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC(CN(C)C(=O)[O-])CC2)cc1 ZINC000740130311 602382792 /nfs/dbraw/zinc/38/27/92/602382792.db2.gz MTXNBLRJFKDVPP-KRWDZBQOSA-N -1 1 386.496 2.952 20 30 GFEDMM C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCCN(C(=O)[O-])CC3)sc2C1 ZINC000739112400 602821933 /nfs/dbraw/zinc/82/19/33/602821933.db2.gz DPUUIHGTULXTSG-ZDUSSCGKSA-N -1 1 390.509 2.759 20 30 GFEDMM COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)c(OC)c1C(=O)[O-] ZINC000833734403 604859691 /nfs/dbraw/zinc/85/96/91/604859691.db2.gz BTCCUBRKCNLBKZ-UHFFFAOYSA-N -1 1 396.808 2.728 20 30 GFEDMM Cc1cc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)ccc1Br ZINC000822198915 606035752 /nfs/dbraw/zinc/03/57/52/606035752.db2.gz NZXFJEFVFBIXGF-UHFFFAOYSA-N -1 1 387.241 2.598 20 30 GFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(Br)c1 ZINC000822801843 606543199 /nfs/dbraw/zinc/54/31/99/606543199.db2.gz PLQKABGEAHSXEU-SNVBAGLBSA-N -1 1 389.238 2.685 20 30 GFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(Br)c1 ZINC000822801843 606543201 /nfs/dbraw/zinc/54/32/01/606543201.db2.gz PLQKABGEAHSXEU-SNVBAGLBSA-N -1 1 389.238 2.685 20 30 GFEDMM O=C(C=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400439 608093744 /nfs/dbraw/zinc/09/37/44/608093744.db2.gz ZBNWDRQSZOTKGS-UPHRSURJSA-N -1 1 385.361 2.504 20 30 GFEDMM O=C(C=Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400439 608093745 /nfs/dbraw/zinc/09/37/45/608093745.db2.gz ZBNWDRQSZOTKGS-UPHRSURJSA-N -1 1 385.361 2.504 20 30 GFEDMM N#Cc1cccc(Cl)c1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826386860 608366739 /nfs/dbraw/zinc/36/67/39/608366739.db2.gz VPXCBHWXYMVBRT-UHFFFAOYSA-N -1 1 396.842 2.584 20 30 GFEDMM C=CCN(CCc1ccco1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000823909406 609449932 /nfs/dbraw/zinc/44/99/32/609449932.db2.gz BTXMSHOGKFPZQS-UHFFFAOYSA-N -1 1 393.856 2.533 20 30 GFEDMM C=CCN(CCc1ccco1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000823909406 609449934 /nfs/dbraw/zinc/44/99/34/609449934.db2.gz BTXMSHOGKFPZQS-UHFFFAOYSA-N -1 1 393.856 2.533 20 30 GFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)s1 ZINC000819420818 660258520 /nfs/dbraw/zinc/25/85/20/660258520.db2.gz VRYNJBVUIXKOBJ-NSHDSACASA-N -1 1 398.945 2.758 20 30 GFEDMM C#CC(C)(C)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000820797735 660306579 /nfs/dbraw/zinc/30/65/79/660306579.db2.gz BVGXRSYSUVBQDT-UHFFFAOYSA-N -1 1 393.646 2.639 20 30 GFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cn(CC2CC2)nn1 ZINC000835065651 660840026 /nfs/dbraw/zinc/84/00/26/660840026.db2.gz PLSKDMRVPDHWBP-LLVKDONJSA-N -1 1 378.219 2.956 20 30 GFEDMM Cc1cnc([C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C2CC2)s1 ZINC000122293721 654732633 /nfs/dbraw/zinc/73/26/33/654732633.db2.gz ZICZRGHLHPWBSN-CQSZACIVSA-N -1 1 378.435 2.661 20 30 GFEDMM Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000116711368 655251709 /nfs/dbraw/zinc/25/17/09/655251709.db2.gz XQIJYURCRNQYFW-UHFFFAOYSA-N -1 1 398.893 2.866 20 30 GFEDMM O=c1nc(N=NC=C2COc3c(Cl)cc(Cl)cc3C2)nc2[nH][n-]cc1-2 ZINC000731157305 655582212 /nfs/dbraw/zinc/58/22/12/655582212.db2.gz KCHMIYJUSUIFRJ-UHFFFAOYSA-N -1 1 377.191 2.613 20 30 GFEDMM O=C1Nc2ccc(Br)cc2C1=NN=c1[n-]c(-c2ccncc2)no1 ZINC000750949415 655818993 /nfs/dbraw/zinc/81/89/93/655818993.db2.gz WBRQVJMHWRPMOG-UHFFFAOYSA-N -1 1 385.181 2.662 20 30 GFEDMM O=C1Nc2ccc(Br)cc2C1=NN=c1nc(-c2ccncc2)[n-]o1 ZINC000750949415 655818994 /nfs/dbraw/zinc/81/89/94/655818994.db2.gz WBRQVJMHWRPMOG-UHFFFAOYSA-N -1 1 385.181 2.662 20 30 GFEDMM Cn1ncc2c1nc(N=NC1CCCc3ccc(Br)cc31)[n-]c2=O ZINC000769585795 656281366 /nfs/dbraw/zinc/28/13/66/656281366.db2.gz MLTLTMHTIJHHOB-UHFFFAOYSA-N -1 1 387.241 2.984 20 30 GFEDMM CC[C@H](NN=Cc1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000793073378 658356018 /nfs/dbraw/zinc/35/60/18/658356018.db2.gz UINSPAMFZNEJTG-VIFPVBQESA-N -1 1 380.036 2.704 20 30 GFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc1Br ZINC000795600280 658834739 /nfs/dbraw/zinc/83/47/39/658834739.db2.gz NCTXPTITLZMABF-UHFFFAOYSA-N -1 1 393.218 2.792 20 30 GFEDMM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cnn2c1OCCC2 ZINC000796743865 658936401 /nfs/dbraw/zinc/93/64/01/658936401.db2.gz HASQQVKXLWZGKO-LBPRGKRZSA-N -1 1 379.203 2.934 20 30 GFEDMM CN(C)S(=O)(=O)c1ccc(NN=Cc2ccc([O-])c(Br)c2)cc1 ZINC000812231486 660021604 /nfs/dbraw/zinc/02/16/04/660021604.db2.gz XZMPZVYXVXVFTM-UHFFFAOYSA-N -1 1 398.282 2.851 20 30 GFEDMM O=C1Nc2ccc(Br)cc2C1=NN=c1[n-]c(-c2cccnc2)no1 ZINC000814948658 660099107 /nfs/dbraw/zinc/09/91/07/660099107.db2.gz YNGMZYDECCFWDV-UHFFFAOYSA-N -1 1 385.181 2.662 20 30 GFEDMM O=C1Nc2ccc(Br)cc2C1=NN=c1nc(-c2cccnc2)[n-]o1 ZINC000814948658 660099111 /nfs/dbraw/zinc/09/91/11/660099111.db2.gz YNGMZYDECCFWDV-UHFFFAOYSA-N -1 1 385.181 2.662 20 30 GFEDMM COc1ccc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)c(Br)c1 ZINC000901773214 663745576 /nfs/dbraw/zinc/74/55/76/663745576.db2.gz XJNVFABTEWCAGT-JTQLQIEISA-N -1 1 387.177 2.581 20 30 GFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(c3nn[n-]n3)CC2)s1 ZINC000913746125 664355161 /nfs/dbraw/zinc/35/51/61/664355161.db2.gz KRSQBWORTBQEIC-UHFFFAOYSA-N -1 1 398.945 2.758 20 30 GFEDMM CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055618339 551173537 /nfs/dbraw/zinc/17/35/37/551173537.db2.gz KCWACTYHVNEAEN-UHFFFAOYSA-N -1 1 377.853 2.643 20 30 GFEDMM N#Cc1cccc([N-]S(=O)(=O)c2cccc(I)c2)c1 ZINC000157997446 551545743 /nfs/dbraw/zinc/54/57/43/551545743.db2.gz YUFNUHCHTLCITG-UHFFFAOYSA-N -1 1 384.198 2.964 20 30 GFEDMM CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000161949363 551600940 /nfs/dbraw/zinc/60/09/40/551600940.db2.gz ZHESUHMNPFXUIE-UHFFFAOYSA-N -1 1 398.893 2.600 20 30 GFEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c1 ZINC000192129967 552552286 /nfs/dbraw/zinc/55/22/86/552552286.db2.gz HNZLJXZAEUUIJZ-AWEZNQCLSA-N -1 1 378.475 2.790 20 30 GFEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)CC1CCC(C)CC1 ZINC000329878083 563490234 /nfs/dbraw/zinc/49/02/34/563490234.db2.gz KFLHSZXMLLELQF-UHFFFAOYSA-N -1 1 375.516 2.608 20 30 GFEDMM N#Cc1ccc(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)cc1[O-] ZINC000430119648 563534117 /nfs/dbraw/zinc/53/41/17/563534117.db2.gz GBNICTBFEFNXEQ-CYBMUJFWSA-N -1 1 389.249 2.607 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCS2)cc1Br ZINC000331346047 563546754 /nfs/dbraw/zinc/54/67/54/563546754.db2.gz VVTVVGIPIKUUKO-VIFPVBQESA-N -1 1 379.276 2.634 20 30 GFEDMM CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442868175 563782081 /nfs/dbraw/zinc/78/20/81/563782081.db2.gz PYJCETPIPICVRE-UHFFFAOYSA-N -1 1 388.221 2.737 20 30 GFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1c(F)cc(I)cc1F ZINC000416965135 563864241 /nfs/dbraw/zinc/86/42/41/563864241.db2.gz ULVJGFRDZWEQNJ-SSDOTTSWSA-N -1 1 386.161 2.613 20 30 GFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(C(=O)OC)c1C ZINC000416967495 563864770 /nfs/dbraw/zinc/86/47/70/563864770.db2.gz XCCCIKXIUFWSPU-SECBINFHSA-N -1 1 375.244 2.588 20 30 GFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)c1 ZINC000447276614 563879165 /nfs/dbraw/zinc/87/91/65/563879165.db2.gz BZPDUQQPZSDMKW-UHFFFAOYSA-N -1 1 377.788 2.937 20 30 GFEDMM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471657947 564201823 /nfs/dbraw/zinc/20/18/23/564201823.db2.gz JDUMWKOFGJRGJV-QMMMGPOBSA-N -1 1 386.670 2.705 20 30 GFEDMM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451263507 564293358 /nfs/dbraw/zinc/29/33/58/564293358.db2.gz RBASPRHBBMKTIC-KOLCDFICSA-N -1 1 393.278 2.535 20 30 GFEDMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H]1CCCO1 ZINC000451344694 564302873 /nfs/dbraw/zinc/30/28/73/564302873.db2.gz RAGRZHMSPYIXBZ-STQMWFEESA-N -1 1 391.262 2.696 20 30 GFEDMM CCC[C@H](C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)OC ZINC000451639381 564333746 /nfs/dbraw/zinc/33/37/46/564333746.db2.gz LQGYKDZGFWODOU-SNVBAGLBSA-N -1 1 379.251 2.553 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CCC[C@H]2CCOC2)cc1Br ZINC000452021084 564382929 /nfs/dbraw/zinc/38/29/29/564382929.db2.gz HVOYMRJDGYVTEJ-JTQLQIEISA-N -1 1 391.262 2.555 20 30 GFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000462069455 564815340 /nfs/dbraw/zinc/81/53/40/564815340.db2.gz HFCZGWWMEXBWTC-GFCCVEGCSA-N -1 1 377.388 2.586 20 30 GFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncccc1I ZINC000537397281 565058204 /nfs/dbraw/zinc/05/82/04/565058204.db2.gz UYBXHGZHTDYEFR-UHFFFAOYSA-N -1 1 399.213 2.667 20 30 GFEDMM C=C(C)C[C@H](NC(C)=O)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000616798608 565209370 /nfs/dbraw/zinc/20/93/70/565209370.db2.gz FTFHZRKECROECT-NSHDSACASA-N -1 1 397.298 2.732 20 30 GFEDMM CCOC(=O)c1sc([N-]C(=O)c2csc(NC(C)=O)n2)c(C#N)c1C ZINC000610220807 566071359 /nfs/dbraw/zinc/07/13/59/566071359.db2.gz QKDVFAVTBXXPAY-UHFFFAOYSA-N -1 1 378.435 2.772 20 30 GFEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000737201130 598491466 /nfs/dbraw/zinc/49/14/66/598491466.db2.gz QWOUDPXXYZRYLG-CYBMUJFWSA-N -1 1 392.419 2.693 20 30 GFEDMM COc1ccc(F)cc1CN1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738018277 600562533 /nfs/dbraw/zinc/56/25/33/600562533.db2.gz YOGBLUSACXWEHJ-HXUWFJFHSA-N -1 1 383.423 2.649 20 30 GFEDMM CN(C)c1ccc(C(N)=NOCCOc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000830635471 600803047 /nfs/dbraw/zinc/80/30/47/600803047.db2.gz NMTONDMNODIBFF-UHFFFAOYSA-N -1 1 377.828 2.820 20 30 GFEDMM C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000264525997 600815252 /nfs/dbraw/zinc/81/52/52/600815252.db2.gz LWEUTTCNOYPRBP-NSHDSACASA-N -1 1 379.463 2.776 20 30 GFEDMM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828425292 601512621 /nfs/dbraw/zinc/51/26/21/601512621.db2.gz YMEJIRABPZUASI-JMSVASOKSA-N -1 1 375.494 2.868 20 30 GFEDMM C=CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccncc1 ZINC000823888576 607616061 /nfs/dbraw/zinc/61/60/61/607616061.db2.gz QYRLNLPVUWPVOS-CYBMUJFWSA-N -1 1 390.856 2.511 20 30 GFEDMM C=CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccncc1 ZINC000823888576 607616062 /nfs/dbraw/zinc/61/60/62/607616062.db2.gz QYRLNLPVUWPVOS-CYBMUJFWSA-N -1 1 390.856 2.511 20 30 GFEDMM N#Cc1ccc(-c2nnc(CN3CCC[C@H]([C@@H]4CCCN4C(=O)[O-])C3)o2)cc1 ZINC000831117666 604039116 /nfs/dbraw/zinc/03/91/16/604039116.db2.gz CAJGHJIABQJVAB-IRXDYDNUSA-N -1 1 381.436 2.963 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1 ZINC000830342198 604257122 /nfs/dbraw/zinc/25/71/22/604257122.db2.gz WIAJHUJGWPHWNR-BZSNNMDCSA-N -1 1 386.496 2.998 20 30 GFEDMM C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833515165 604690187 /nfs/dbraw/zinc/69/01/87/604690187.db2.gz AGPODHJLXPCNOR-LLVKDONJSA-N -1 1 377.447 2.975 20 30 GFEDMM CN1CC(=Cc2ccc(C#N)s2)C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000821620791 606387108 /nfs/dbraw/zinc/38/71/08/606387108.db2.gz VYLYVCIECOQKRI-IODUZNRKSA-N -1 1 394.485 2.843 20 30 GFEDMM C=CCN=c1scc(-c2oc(C)nc2C)n1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000819750929 606988372 /nfs/dbraw/zinc/98/83/72/606988372.db2.gz KHKQNCAENDCZPY-UHFFFAOYSA-N -1 1 396.436 2.563 20 30 GFEDMM C=CCN=c1scc(-c2oc(C)nc2C)n1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000819750929 606988373 /nfs/dbraw/zinc/98/83/73/606988373.db2.gz KHKQNCAENDCZPY-UHFFFAOYSA-N -1 1 396.436 2.563 20 30 GFEDMM Cc1cccc(N(CCC#N)C(=O)COc2cccc(F)c2-c2nnn[n-]2)c1C ZINC000826298918 607863991 /nfs/dbraw/zinc/86/39/91/607863991.db2.gz KUILXHTZBIBHKP-UHFFFAOYSA-N -1 1 394.410 2.948 20 30 GFEDMM Cc1cccc(N(CCC#N)C(=O)COc2cccc(F)c2-c2nn[n-]n2)c1C ZINC000826298918 607863992 /nfs/dbraw/zinc/86/39/92/607863992.db2.gz KUILXHTZBIBHKP-UHFFFAOYSA-N -1 1 394.410 2.948 20 30 GFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000116905274 655256611 /nfs/dbraw/zinc/25/66/11/655256611.db2.gz JOSUYPYJHSPEMI-MRVPVSSYSA-N -1 1 380.235 2.618 20 30 GFEDMM COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000735268449 655643397 /nfs/dbraw/zinc/64/33/97/655643397.db2.gz DRVKYFNDDVGLDS-UHFFFAOYSA-N -1 1 379.825 2.868 20 30 GFEDMM Cc1cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)ccc1Br ZINC000746368782 655760673 /nfs/dbraw/zinc/76/06/73/655760673.db2.gz IONNNAZPTGOXAQ-UHFFFAOYSA-N -1 1 378.251 2.830 20 30 GFEDMM C#CCCc1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2O)n1 ZINC000762000106 656027619 /nfs/dbraw/zinc/02/76/19/656027619.db2.gz YWROUCOMNIBAEM-UHFFFAOYSA-N -1 1 375.431 2.870 20 30 GFEDMM C[C@H]1CC(=NC(=O)c2cc(Br)c([O-])c(Br)c2)NO1 ZINC000765377742 656141515 /nfs/dbraw/zinc/14/15/15/656141515.db2.gz WBDUNOQCNPOTDH-YFKPBYRVSA-N -1 1 378.020 2.769 20 30 GFEDMM N#Cc1c(F)cccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766199753 656164590 /nfs/dbraw/zinc/16/45/90/656164590.db2.gz HLZWABXPJVFVKT-UHFFFAOYSA-N -1 1 385.214 2.644 20 30 GFEDMM Cc1cc(Br)cc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000773059623 656397829 /nfs/dbraw/zinc/39/78/29/656397829.db2.gz VEFGSTOAPGSCBG-UHFFFAOYSA-N -1 1 398.238 2.978 20 30 GFEDMM C=C(C)COCC[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000841505829 661278135 /nfs/dbraw/zinc/27/81/35/661278135.db2.gz HMCUGSSDLMKDRY-UHFFFAOYSA-N -1 1 379.837 2.527 20 30 GFEDMM C#CCN1C(=O)C(=N[N-]c2ncncc2Cl)c2cc(Br)ccc21 ZINC000780281534 656995667 /nfs/dbraw/zinc/99/56/67/656995667.db2.gz NSAFILBPGSXRHH-UHFFFAOYSA-N -1 1 390.628 2.689 20 30 GFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000794576833 658564629 /nfs/dbraw/zinc/56/46/29/658564629.db2.gz OALHOLDYAAWDHE-UHFFFAOYSA-N -1 1 386.401 2.550 20 30 GFEDMM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cnn2c1OCCC2 ZINC000796743863 658936218 /nfs/dbraw/zinc/93/62/18/658936218.db2.gz HASQQVKXLWZGKO-GFCCVEGCSA-N -1 1 379.203 2.934 20 30 GFEDMM Cc1cc(Br)cc2c1NC(=O)C2=NN=c1[n-]c(-c2cccnc2)no1 ZINC000814949729 660099030 /nfs/dbraw/zinc/09/90/30/660099030.db2.gz SJPSPRZDTHNKLY-UHFFFAOYSA-N -1 1 399.208 2.971 20 30 GFEDMM Cc1cc(Br)cc2c1NC(=O)C2=NN=c1nc(-c2cccnc2)[n-]o1 ZINC000814949729 660099041 /nfs/dbraw/zinc/09/90/41/660099041.db2.gz SJPSPRZDTHNKLY-UHFFFAOYSA-N -1 1 399.208 2.971 20 30 GFEDMM N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)Cn1ccc(Br)cc1=O ZINC000870455013 662690774 /nfs/dbraw/zinc/69/07/74/662690774.db2.gz STQCDCUMAVZTRX-HNNXBMFYSA-N -1 1 399.244 2.621 20 30 GFEDMM C[S@@](=O)(=NS(=O)(=O)[N-][C@@H]1CCc2cc(C#N)ccc21)C1CCCCC1 ZINC000882135863 663017957 /nfs/dbraw/zinc/01/79/57/663017957.db2.gz INZUPPHNHKWFAN-OSPHWJPCSA-N -1 1 381.523 2.810 20 30 GFEDMM C#CCNC(=O)C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893972425 663434791 /nfs/dbraw/zinc/43/47/91/663434791.db2.gz AIZWFSLJMOYUGQ-UHFFFAOYSA-N -1 1 385.689 2.770 20 30 GFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cccc(Br)c1 ZINC000914600304 664412708 /nfs/dbraw/zinc/41/27/08/664412708.db2.gz VHOVSDDINYLFLX-UHFFFAOYSA-N -1 1 378.251 2.912 20 30 GFEDMM CCOC(=O)[C@](C)([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccccc1 ZINC000919967800 664520493 /nfs/dbraw/zinc/52/04/93/664520493.db2.gz LEENEFNPKBWEIV-QGZVFWFLSA-N -1 1 378.475 2.518 20 30 GFEDMM CCOC(=O)C1=C(C(=O)C(C)C)[C@H](c2ccc([O-])c(Cl)c2)NC(=S)N1 ZINC000921298986 664540569 /nfs/dbraw/zinc/54/05/69/664540569.db2.gz USYUFBVWZXQSDP-ZDUSSCGKSA-N -1 1 382.869 2.607 20 30 GFEDMM C#CCN1CCC([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000921439068 664548457 /nfs/dbraw/zinc/54/84/57/664548457.db2.gz QJZFMKYCLUMHFU-UHFFFAOYSA-N -1 1 380.819 2.735 20 30 GFEDMM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186935193 552401987 /nfs/dbraw/zinc/40/19/87/552401987.db2.gz DGNSIQXZGNHXGN-UHFFFAOYSA-N -1 1 388.829 2.555 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1Br ZINC000432775431 563593222 /nfs/dbraw/zinc/59/32/22/563593222.db2.gz IKNNDLCATMTMMF-UHFFFAOYSA-N -1 1 392.234 2.616 20 30 GFEDMM O=C([N-]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(F)C(F)(F)F ZINC000289827528 563688273 /nfs/dbraw/zinc/68/82/73/563688273.db2.gz PFCFLDSBCCJTON-SSDOTTSWSA-N -1 1 378.635 2.918 20 30 GFEDMM C=CCOc1cc(OC)ccc1C(=O)N=c1[nH][n-]c(CC)c1Br ZINC000448316749 563896098 /nfs/dbraw/zinc/89/60/98/563896098.db2.gz ZOIMSQNJMGKBSN-UHFFFAOYSA-N -1 1 380.242 2.982 20 30 GFEDMM C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451154453 564281066 /nfs/dbraw/zinc/28/10/66/564281066.db2.gz LFORHBVOXUIEAA-KOLCDFICSA-N -1 1 391.262 2.696 20 30 GFEDMM C=C(C)COCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000509930626 564319155 /nfs/dbraw/zinc/31/91/55/564319155.db2.gz LUXOOIUSCCSUNI-UHFFFAOYSA-N -1 1 382.265 2.651 20 30 GFEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1cc2ccc(Br)cn2[nH]1 ZINC000511285901 564365889 /nfs/dbraw/zinc/36/58/89/564365889.db2.gz NMZHNDQPOPPJME-AWEZNQCLSA-N -1 1 394.232 2.711 20 30 GFEDMM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)c2ccccc2CC#N)c1C ZINC000479247756 564432977 /nfs/dbraw/zinc/43/29/77/564432977.db2.gz FQXKWQRIJMTZRR-UHFFFAOYSA-N -1 1 378.475 2.574 20 30 GFEDMM COc1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)c(Cl)cc1C(=O)[O-] ZINC000485278595 564611706 /nfs/dbraw/zinc/61/17/06/564611706.db2.gz RUCTZISVSJIWLY-UHFFFAOYSA-N -1 1 380.809 2.914 20 30 GFEDMM COC(=O)c1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(Cl)c1 ZINC000572929256 564616527 /nfs/dbraw/zinc/61/65/27/564616527.db2.gz CMYAFXIFVXDJKP-UHFFFAOYSA-N -1 1 386.216 2.847 20 30 GFEDMM C[C@H](Cc1ccc(F)c(Br)c1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557839552 564880379 /nfs/dbraw/zinc/88/03/79/564880379.db2.gz KOPZTOPYEMJHHC-SECBINFHSA-N -1 1 387.230 2.962 20 30 GFEDMM COc1cc(Br)c(CNC(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000614368226 565109315 /nfs/dbraw/zinc/10/93/15/565109315.db2.gz GPNLVBYEHDAGQT-UHFFFAOYSA-N -1 1 391.221 2.974 20 30 GFEDMM CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3cc(C#N)ccc3Cl)cc2C1 ZINC000594706516 565409754 /nfs/dbraw/zinc/40/97/54/565409754.db2.gz SIZXAELLRISXNH-UHFFFAOYSA-N -1 1 395.893 2.979 20 30 GFEDMM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nc1C ZINC000611539766 566135005 /nfs/dbraw/zinc/13/50/05/566135005.db2.gz ZYSZSHZNWKNBQB-UHFFFAOYSA-N -1 1 399.881 2.632 20 30 GFEDMM N#CCOc1ccc(Cl)cc1Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21 ZINC000737698321 599222863 /nfs/dbraw/zinc/22/28/63/599222863.db2.gz WREFGMBUKLJRHF-UHFFFAOYSA-N -1 1 392.806 2.786 20 30 GFEDMM CCCN1CCN(c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2Cl)CC1 ZINC000820321358 598225057 /nfs/dbraw/zinc/22/50/57/598225057.db2.gz YUIRQBPIFPCVAK-LJQANCHMSA-N -1 1 392.887 2.815 20 30 GFEDMM N#Cc1cc(Cl)ccc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737704453 598745664 /nfs/dbraw/zinc/74/56/64/598745664.db2.gz IPPULCIUUNSINB-UHFFFAOYSA-N -1 1 396.842 2.584 20 30 GFEDMM CC(=O)c1[nH]c(CC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c(C(=O)[O-])c1C ZINC000736174507 600519267 /nfs/dbraw/zinc/51/92/67/600519267.db2.gz WSGZIRJAQFNDHS-GFCCVEGCSA-N -1 1 378.388 2.828 20 30 GFEDMM Cn1cc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cc1C(=O)[O-] ZINC000833055548 600812313 /nfs/dbraw/zinc/81/23/13/600812313.db2.gz VSQBDWZBYSQWRC-UHFFFAOYSA-N -1 1 398.400 2.583 20 30 GFEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)c1C#N ZINC000832849314 601524686 /nfs/dbraw/zinc/52/46/86/601524686.db2.gz CNWVVPYJZLGHRJ-ACJLOTCBSA-N -1 1 380.448 2.557 20 30 GFEDMM C[C@H](NC(=O)[O-])C1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000739029728 602447816 /nfs/dbraw/zinc/44/78/16/602447816.db2.gz WYMSNJKDYDRDBB-BBRMVZONSA-N -1 1 393.447 2.592 20 30 GFEDMM N#Cc1cccc(-c2nnc(CN3CCC[C@H]([C@@H]4CCCN4C(=O)[O-])C3)o2)c1 ZINC000831146061 604038604 /nfs/dbraw/zinc/03/86/04/604038604.db2.gz HSSKRRXQFVUQFP-IRXDYDNUSA-N -1 1 381.436 2.963 20 30 GFEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000831064538 604222696 /nfs/dbraw/zinc/22/26/96/604222696.db2.gz IGMAWQXIRHCVPA-JTQLQIEISA-N -1 1 379.731 2.801 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)cc1 ZINC000830342202 604256923 /nfs/dbraw/zinc/25/69/23/604256923.db2.gz WIAJHUJGWPHWNR-OKZBNKHCSA-N -1 1 386.496 2.998 20 30 GFEDMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000833741964 605205885 /nfs/dbraw/zinc/20/58/85/605205885.db2.gz DOTMVAKVQUQQRR-MRXNPFEDSA-N -1 1 394.475 2.587 20 30 GFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000822922347 606393013 /nfs/dbraw/zinc/39/30/13/606393013.db2.gz FSSXAJHXJOVSFD-XVNBXDOJSA-N -1 1 396.400 2.821 20 30 GFEDMM Cc1cc(Br)ccc1C=Nn1c(C)cc(C)c(-c2nn[n-]n2)c1=O ZINC000822162072 607036927 /nfs/dbraw/zinc/03/69/27/607036927.db2.gz XHLUVNWWXNSZIK-UHFFFAOYSA-N -1 1 387.241 2.598 20 30 GFEDMM N#Cc1[n-]c(NC(=O)Cc2csc3ccc(Cl)cc23)nc1-c1nn[nH]n1 ZINC000826382871 607780471 /nfs/dbraw/zinc/78/04/71/607780471.db2.gz YQEHIJRUJLYAHC-UHFFFAOYSA-N -1 1 384.812 2.511 20 30 GFEDMM COc1ccc(NC(=S)NN=C(C)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000826209636 608095150 /nfs/dbraw/zinc/09/51/50/608095150.db2.gz KBRVUNSTLSFDMI-UHFFFAOYSA-N -1 1 391.457 2.787 20 30 GFEDMM N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826387214 608304502 /nfs/dbraw/zinc/30/45/02/608304502.db2.gz KUYRIVREDUHZHQ-UHFFFAOYSA-N -1 1 381.399 2.730 20 30 GFEDMM N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826387214 608304504 /nfs/dbraw/zinc/30/45/04/608304504.db2.gz KUYRIVREDUHZHQ-UHFFFAOYSA-N -1 1 381.399 2.730 20 30 GFEDMM N#Cc1cccc(C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 ZINC000126122933 654808734 /nfs/dbraw/zinc/80/87/34/654808734.db2.gz MZNAHVFBXKOLHO-UHFFFAOYSA-N -1 1 396.222 2.707 20 30 GFEDMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(Cl)c3)ccc21 ZINC000177921063 655291714 /nfs/dbraw/zinc/29/17/14/655291714.db2.gz QWUGEYBJSVBMAS-UHFFFAOYSA-N -1 1 375.837 2.921 20 30 GFEDMM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2ccccc2SCCC#N)o1 ZINC000264519496 655465593 /nfs/dbraw/zinc/46/55/93/655465593.db2.gz KMRRIDWGVPODIU-UHFFFAOYSA-N -1 1 379.463 2.788 20 30 GFEDMM Cn1nc(Br)c2c1ncnc2N=NCc1ccc([O-])c(Cl)c1 ZINC000726739119 655537591 /nfs/dbraw/zinc/53/75/91/655537591.db2.gz RVGNIGLVHDGBND-UHFFFAOYSA-N -1 1 381.621 2.931 20 30 GFEDMM C#CCOc1ccccc1NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000775296164 656625733 /nfs/dbraw/zinc/62/57/33/656625733.db2.gz TXPVTQGDOFOIMY-UHFFFAOYSA-N -1 1 383.784 2.990 20 30 GFEDMM Cc1cc(C(N)=O)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000788483357 657728252 /nfs/dbraw/zinc/72/82/52/657728252.db2.gz AELORFPNEDHHRU-UHFFFAOYSA-N -1 1 394.250 2.529 20 30 GFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccoc1CC(N)=O ZINC000796792219 658939501 /nfs/dbraw/zinc/93/95/01/658939501.db2.gz FYMHGDSNLWPHEU-JTQLQIEISA-N -1 1 380.187 2.575 20 30 GFEDMM CC(C)(C)OC(=O)CC[C@@H](NCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC000900037772 663706866 /nfs/dbraw/zinc/70/68/66/663706866.db2.gz KZEMKXQFTCGRPN-CQSZACIVSA-N -1 1 397.269 2.985 20 30 GFEDMM Cc1sc(Br)cc1S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F ZINC000901771683 663745474 /nfs/dbraw/zinc/74/54/74/663745474.db2.gz HEILIKKHIULAFH-ZETCQYMHSA-N -1 1 377.207 2.942 20 30 GFEDMM C=CC[C@H](C)NS(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000906957141 663986296 /nfs/dbraw/zinc/98/62/96/663986296.db2.gz KWUWFITUGDQPSY-LBPRGKRZSA-N -1 1 378.416 2.541 20 30 GFEDMM O=S1(=O)[N-]C(=NN=Cc2cc(Br)ccc2F)c2ccccc21 ZINC000914600802 664412643 /nfs/dbraw/zinc/41/26/43/664412643.db2.gz XQMKFEHDHHBPPX-UHFFFAOYSA-N -1 1 382.214 2.661 20 30 GFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccccc1Br ZINC000914599475 664412778 /nfs/dbraw/zinc/41/27/78/664412778.db2.gz HRDGMXAGFQSHBT-UHFFFAOYSA-N -1 1 378.251 2.912 20 30 GFEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000916486989 664462494 /nfs/dbraw/zinc/46/24/94/664462494.db2.gz AZQKMBRZULISDU-YCINEILWSA-N -1 1 381.401 2.560 20 30 GFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)ccc1Cl ZINC000918168028 664496088 /nfs/dbraw/zinc/49/60/88/664496088.db2.gz OKQHJAAEGIDMFB-UHFFFAOYSA-N -1 1 377.809 2.969 20 30 GFEDMM C#CC1([N-]S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)CCCC1 ZINC000919780345 664517984 /nfs/dbraw/zinc/51/79/84/664517984.db2.gz IERMPEAQEGSBMD-HSZRJFAPSA-N -1 1 380.413 2.814 20 30 GFEDMM N#CCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000126926762 551334756 /nfs/dbraw/zinc/33/47/56/551334756.db2.gz ZGIKVCRAQUJOEC-UHFFFAOYSA-N -1 1 398.271 2.976 20 30 GFEDMM CC(C)c1cc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)on1 ZINC000155219251 551494290 /nfs/dbraw/zinc/49/42/90/551494290.db2.gz XFQJROVJZQZUPO-UHFFFAOYSA-N -1 1 384.255 2.911 20 30 GFEDMM N#CC1(NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CC1 ZINC000160807491 551585628 /nfs/dbraw/zinc/58/56/28/551585628.db2.gz FBZOEFWCBYYSNL-UHFFFAOYSA-N -1 1 375.837 2.927 20 30 GFEDMM N#Cc1ccc(C(=O)NCc2cc3c(c(Br)c2)OCO3)cc1[O-] ZINC000191011592 552516225 /nfs/dbraw/zinc/51/62/25/552516225.db2.gz PDDKDEQBNIJTQV-UHFFFAOYSA-N -1 1 375.178 2.685 20 30 GFEDMM C[C@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000192128168 552552252 /nfs/dbraw/zinc/55/22/52/552552252.db2.gz HTIAQOKCNZXBLT-LLVKDONJSA-N -1 1 384.866 2.827 20 30 GFEDMM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000192128792 552552289 /nfs/dbraw/zinc/55/22/89/552552289.db2.gz NRDRPUPAWIDPES-CQSZACIVSA-N -1 1 378.475 2.623 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cncc(Br)c2)C2CC2)o1 ZINC000287288290 563594886 /nfs/dbraw/zinc/59/48/86/563594886.db2.gz JAGBPSYXWFVLRV-AWEZNQCLSA-N -1 1 382.239 2.738 20 30 GFEDMM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)nc1C ZINC000435440391 563651153 /nfs/dbraw/zinc/65/11/53/563651153.db2.gz WIBNNRXEPHBJLZ-SECBINFHSA-N -1 1 385.492 2.601 20 30 GFEDMM Cc1cc(S(=O)(=O)[N-]c2ncccc2I)ccc1C#N ZINC000446813711 563869195 /nfs/dbraw/zinc/86/91/95/563869195.db2.gz HFEGLKJYBKNLDL-UHFFFAOYSA-N -1 1 399.213 2.667 20 30 GFEDMM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000508074803 564252390 /nfs/dbraw/zinc/25/23/90/564252390.db2.gz STFJYFJOEFIPCN-GFCCVEGCSA-N -1 1 381.292 2.902 20 30 GFEDMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)CC#N)cc1 ZINC000476221051 564331366 /nfs/dbraw/zinc/33/13/66/564331366.db2.gz PUVFDWSRUPMMOY-UHFFFAOYSA-N -1 1 384.866 2.747 20 30 GFEDMM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)[C@@H](O)C(F)(F)F ZINC000553870817 564742703 /nfs/dbraw/zinc/74/27/03/564742703.db2.gz ZIGUMOWIPUKCLX-OIBJUYFYSA-N -1 1 399.284 2.704 20 30 GFEDMM CO[C@@H](CC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(F)(F)F ZINC000489800871 564753328 /nfs/dbraw/zinc/75/33/28/564753328.db2.gz YHWAWAVSBDRBGE-VIFPVBQESA-N -1 1 399.284 2.970 20 30 GFEDMM N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000560417443 564961057 /nfs/dbraw/zinc/96/10/57/564961057.db2.gz UOCGAAWRIWOJTE-UHFFFAOYSA-N -1 1 380.809 2.866 20 30 GFEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000504658700 565042957 /nfs/dbraw/zinc/04/29/57/565042957.db2.gz ZDJYMXOWXVOMHI-UHFFFAOYSA-N -1 1 380.809 2.866 20 30 GFEDMM N#CC1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C1 ZINC000590484170 565189054 /nfs/dbraw/zinc/18/90/54/565189054.db2.gz XDMXUYQREVCFSQ-UHFFFAOYSA-N -1 1 375.837 2.736 20 30 GFEDMM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000592081845 565253830 /nfs/dbraw/zinc/25/38/30/565253830.db2.gz DQADCAIUCWDEMI-GXSJLCMTSA-N -1 1 393.278 2.535 20 30 GFEDMM N#CCCCC[C@H](N)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000594463516 565388842 /nfs/dbraw/zinc/38/88/42/565388842.db2.gz HERUYAWURNCQAT-VIFPVBQESA-N -1 1 382.287 2.672 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC#Cc1ccc(F)cc1 ZINC000822540494 607351571 /nfs/dbraw/zinc/35/15/71/607351571.db2.gz BYJFUXUVFVGFBP-UHFFFAOYSA-N -1 1 391.362 2.906 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCC#Cc1ccc(F)cc1 ZINC000822540494 607351572 /nfs/dbraw/zinc/35/15/72/607351572.db2.gz BYJFUXUVFVGFBP-UHFFFAOYSA-N -1 1 391.362 2.906 20 30 GFEDMM Cc1cc(C)n(N=Cc2cnc(-c3ccccc3)s2)c(=O)c1-c1nn[n-]n1 ZINC000737256050 598438079 /nfs/dbraw/zinc/43/80/79/598438079.db2.gz GFOVNLXTOBVMQD-UHFFFAOYSA-N -1 1 377.433 2.651 20 30 GFEDMM N#Cc1[n-]c(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)nc1-c1nn[nH]n1 ZINC000737704034 598529177 /nfs/dbraw/zinc/52/91/77/598529177.db2.gz CWOZRHOSVKEVKG-HTQZYQBOSA-N -1 1 389.206 2.510 20 30 GFEDMM N#Cc1ccc(OC2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)cc1 ZINC000737721429 598756151 /nfs/dbraw/zinc/75/61/51/598756151.db2.gz JYDBTVJUKDZMOC-UHFFFAOYSA-N -1 1 387.856 2.896 20 30 GFEDMM N#Cc1ccc(OC2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)cc1 ZINC000737721429 598756153 /nfs/dbraw/zinc/75/61/53/598756153.db2.gz JYDBTVJUKDZMOC-UHFFFAOYSA-N -1 1 387.856 2.896 20 30 GFEDMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000477429770 599908392 /nfs/dbraw/zinc/90/83/92/599908392.db2.gz DGRZOUQCHUVNLH-UHFFFAOYSA-N -1 1 382.344 2.967 20 30 GFEDMM C[C@@H](CN(C)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C(=O)[O-] ZINC000736571717 600365859 /nfs/dbraw/zinc/36/58/59/600365859.db2.gz MWEAZOLYYVLCMA-HNNXBMFYSA-N -1 1 394.475 2.819 20 30 GFEDMM COc1cc(C#N)ccc1OCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737845812 600714439 /nfs/dbraw/zinc/71/44/39/600714439.db2.gz PAHVUGJEDQMDPP-UHFFFAOYSA-N -1 1 390.823 2.891 20 30 GFEDMM COc1cc(C#N)ccc1OCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737845812 600714440 /nfs/dbraw/zinc/71/44/40/600714440.db2.gz PAHVUGJEDQMDPP-UHFFFAOYSA-N -1 1 390.823 2.891 20 30 GFEDMM N#Cc1cccc([C@H](NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)C(=O)[O-])c1 ZINC000833075589 601303468 /nfs/dbraw/zinc/30/34/68/601303468.db2.gz MLGASKGPIIOBOH-OALUTQOASA-N -1 1 379.416 2.591 20 30 GFEDMM C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)N1C(=O)[O-] ZINC000739178987 602840497 /nfs/dbraw/zinc/84/04/97/602840497.db2.gz AOAXXLSGOZVKPP-RYUDHWBXSA-N -1 1 376.482 2.510 20 30 GFEDMM C#CC[C@@H](NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000833360132 605133259 /nfs/dbraw/zinc/13/32/59/605133259.db2.gz DJZXTMYKPSPSMH-CTNGQTDRSA-N -1 1 389.455 2.634 20 30 GFEDMM C#CC[C@@H](NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000833360135 605133472 /nfs/dbraw/zinc/13/34/72/605133472.db2.gz DJZXTMYKPSPSMH-TZIWHRDSSA-N -1 1 389.455 2.634 20 30 GFEDMM Cc1sc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(C#N)c1C ZINC000833936827 605878362 /nfs/dbraw/zinc/87/83/62/605878362.db2.gz NUZAGFAHIOHSHD-PBWFPOADSA-N -1 1 376.482 2.780 20 30 GFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Br)cc1 ZINC000822802200 606523374 /nfs/dbraw/zinc/52/33/74/606523374.db2.gz WTQGYZFJMJSCAG-SNVBAGLBSA-N -1 1 389.238 2.685 20 30 GFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Br)cc1 ZINC000822802200 606523376 /nfs/dbraw/zinc/52/33/76/606523376.db2.gz WTQGYZFJMJSCAG-SNVBAGLBSA-N -1 1 389.238 2.685 20 30 GFEDMM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nn[n-]n4)s3)C2=O)s1 ZINC000822825423 607099059 /nfs/dbraw/zinc/09/90/59/607099059.db2.gz FGAALPWCAGNKPV-JZKFVHIFSA-N -1 1 381.442 2.928 20 30 GFEDMM N#Cc1[n-]c(NC(=O)Cc2cc3c(ccc4ccccc34)o2)nc1-c1nn[nH]n1 ZINC000826382701 607809712 /nfs/dbraw/zinc/80/97/12/607809712.db2.gz RCZRCBKDURVKPA-UHFFFAOYSA-N -1 1 384.359 2.542 20 30 GFEDMM N#Cc1ccc(C2=CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cc1 ZINC000826384567 608444190 /nfs/dbraw/zinc/44/41/90/608444190.db2.gz APAYDBMWLPLTJL-UHFFFAOYSA-N -1 1 380.415 2.975 20 30 GFEDMM N#Cc1ccc(C2=CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)cc1 ZINC000826384567 608444192 /nfs/dbraw/zinc/44/41/92/608444192.db2.gz APAYDBMWLPLTJL-UHFFFAOYSA-N -1 1 380.415 2.975 20 30 GFEDMM CSc1nc(C2CC2)cc(C(=O)N2CCC(C)(C#N)CC2)c1-c1nn[n-]n1 ZINC000826231350 609263679 /nfs/dbraw/zinc/26/36/79/609263679.db2.gz HUFVOIIYNMNNQP-UHFFFAOYSA-N -1 1 383.481 2.627 20 30 GFEDMM COc1ccc(C#N)cc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826186927 609278635 /nfs/dbraw/zinc/27/86/35/609278635.db2.gz QKDODHQWXXRASO-UHFFFAOYSA-N -1 1 390.382 2.684 20 30 GFEDMM Cc1cc(C#N)ccc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826256878 609292592 /nfs/dbraw/zinc/29/25/92/609292592.db2.gz DRTLZWJJMGQZDF-UHFFFAOYSA-N -1 1 388.366 2.624 20 30 GFEDMM Cc1cc(C)n(N=Cc2ccc(SC(F)F)cc2)c(=O)c1-c1nn[n-]n1 ZINC000826265481 609374177 /nfs/dbraw/zinc/37/41/77/609374177.db2.gz AORIBDZRPRXNCN-UHFFFAOYSA-N -1 1 376.392 2.842 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(I)c2)cc1 ZINC000016130825 654515132 /nfs/dbraw/zinc/51/51/32/654515132.db2.gz IUAUTSBCSFWQJE-UHFFFAOYSA-N -1 1 384.198 2.964 20 30 GFEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)ccc1Cl ZINC000055576626 654778010 /nfs/dbraw/zinc/77/80/10/654778010.db2.gz NHFFQQDCXDXEJY-UHFFFAOYSA-N -1 1 375.837 2.905 20 30 GFEDMM CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)c1c[n-]nc1C ZINC000732216085 655593027 /nfs/dbraw/zinc/59/30/27/655593027.db2.gz QDSMWAPZBAODHA-UHFFFAOYSA-N -1 1 386.227 2.519 20 30 GFEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)ccc1Cl ZINC000740809619 655699567 /nfs/dbraw/zinc/69/95/67/655699567.db2.gz FCUJIAJLNGHMCT-UHFFFAOYSA-N -1 1 377.809 2.969 20 30 GFEDMM Cc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c(Br)c1 ZINC000753698635 655857310 /nfs/dbraw/zinc/85/73/10/655857310.db2.gz YOCWEVRYJPSXNZ-UHFFFAOYSA-N -1 1 378.251 2.830 20 30 GFEDMM Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765903798 656154374 /nfs/dbraw/zinc/15/43/74/656154374.db2.gz MDZAAOSQZSUEMU-UHFFFAOYSA-N -1 1 388.221 2.590 20 30 GFEDMM Cc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766199862 656164654 /nfs/dbraw/zinc/16/46/54/656164654.db2.gz KGVPVGJRBXHRFY-UHFFFAOYSA-N -1 1 381.251 2.813 20 30 GFEDMM N=C(NOC(=O)CCCSc1nc(C2CC2)cc(=O)[n-]1)c1cccs1 ZINC000767088918 656193878 /nfs/dbraw/zinc/19/38/78/656193878.db2.gz VJAGBGROGQPOPP-UHFFFAOYSA-N -1 1 378.479 2.857 20 30 GFEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@@H]1CCCO1 ZINC000773051832 656397723 /nfs/dbraw/zinc/39/77/23/656397723.db2.gz BSBSADXKHOROMD-RYUDHWBXSA-N -1 1 396.665 2.701 20 30 GFEDMM O=S1(=O)[N-]C(=NN=C2CCCOc3cc(Cl)ccc32)c2ccccc21 ZINC000774588529 656538850 /nfs/dbraw/zinc/53/88/50/656538850.db2.gz DJNKOCAURWEQNN-UHFFFAOYSA-N -1 1 375.837 2.955 20 30 GFEDMM CN(C)S(=O)(=O)c1ccccc1NN=Cc1ccc([O-])c(Br)c1 ZINC000793192919 658368766 /nfs/dbraw/zinc/36/87/66/658368766.db2.gz YMZKOFBOWBWTDG-UHFFFAOYSA-N -1 1 398.282 2.851 20 30 GFEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795969569 658877646 /nfs/dbraw/zinc/87/76/46/658877646.db2.gz DMWOJNBPTRFRHW-MEBBXXQBSA-N -1 1 391.848 2.525 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)o1 ZINC000805078298 659735505 /nfs/dbraw/zinc/73/55/05/659735505.db2.gz NCXHCPZJRGGCQD-CYBMUJFWSA-N -1 1 375.233 2.860 20 30 GFEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000841542376 661294442 /nfs/dbraw/zinc/29/44/42/661294442.db2.gz GDUXPNLWDJZNPF-UHFFFAOYSA-N -1 1 394.222 2.715 20 30 GFEDMM C=CCC1([N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCOCC1 ZINC000849450379 661727496 /nfs/dbraw/zinc/72/74/96/661727496.db2.gz HAAKIDPXTZYBPL-UHFFFAOYSA-N -1 1 395.706 2.901 20 30 GFEDMM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F ZINC000901769474 663745263 /nfs/dbraw/zinc/74/52/63/663745263.db2.gz JWRRPRJHIZRYKT-VIFPVBQESA-N -1 1 392.277 2.717 20 30 GFEDMM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F ZINC000901775437 663745775 /nfs/dbraw/zinc/74/57/75/663745775.db2.gz VVCDITSQDUZZKC-SNVBAGLBSA-N -1 1 387.177 2.581 20 30 GFEDMM CC(C)(C)NS(=O)(=O)c1ccc(N=NCc2ccc([O-])c(Cl)c2)nc1 ZINC000921257709 664539811 /nfs/dbraw/zinc/53/98/11/664539811.db2.gz PSQJUNJDCBXSAV-UHFFFAOYSA-N -1 1 382.873 2.963 20 30 GFEDMM COC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccco1 ZINC000155267612 551495855 /nfs/dbraw/zinc/49/58/55/551495855.db2.gz HMPGDBLKORCIAF-CYBMUJFWSA-N -1 1 385.239 2.580 20 30 GFEDMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(Cl)c3)cc21 ZINC000180177163 552216182 /nfs/dbraw/zinc/21/61/82/552216182.db2.gz RVFCJZDMDQBJMJ-UHFFFAOYSA-N -1 1 375.837 2.921 20 30 GFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC(C)(C)CC#N ZINC000416531556 563843919 /nfs/dbraw/zinc/84/39/19/563843919.db2.gz PBCBLVZXEJKZLQ-UHFFFAOYSA-N -1 1 379.265 2.998 20 30 GFEDMM C[C@H](C#N)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000539979001 564234333 /nfs/dbraw/zinc/23/43/33/564234333.db2.gz JNKWKLSZHZBBFR-SNVBAGLBSA-N -1 1 379.825 2.945 20 30 GFEDMM C=CCCCN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451221453 564288374 /nfs/dbraw/zinc/28/83/74/564288374.db2.gz ZFVILBDAFWAODZ-UHFFFAOYSA-N -1 1 378.491 2.564 20 30 GFEDMM CSc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c1 ZINC000509232504 564288696 /nfs/dbraw/zinc/28/86/96/564288696.db2.gz IWCQHOQLOXHPMM-LBPRGKRZSA-N -1 1 396.515 2.895 20 30 GFEDMM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CC1 ZINC000451976118 564374913 /nfs/dbraw/zinc/37/49/13/564374913.db2.gz XIWPBTUFKJGNHT-XLKFXECMSA-N -1 1 391.262 2.552 20 30 GFEDMM Cc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000547937263 564523414 /nfs/dbraw/zinc/52/34/14/564523414.db2.gz ZUKZUMULBMPNQU-UHFFFAOYSA-N -1 1 396.222 2.523 20 30 GFEDMM N#CC1(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000553921907 564745443 /nfs/dbraw/zinc/74/54/43/564745443.db2.gz AVBLUWBTIZKKJX-UHFFFAOYSA-N -1 1 390.292 2.614 20 30 GFEDMM CO[C@H](c1ccc(Br)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557841383 564880766 /nfs/dbraw/zinc/88/07/66/564880766.db2.gz SAIVBSAAEHMPSM-BMIGLBTASA-N -1 1 399.266 2.968 20 30 GFEDMM N#CC1CN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C1 ZINC000590489719 565190621 /nfs/dbraw/zinc/19/06/21/565190621.db2.gz SATFSYUBEPKMFZ-UHFFFAOYSA-N -1 1 375.837 2.736 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)cc1Cl ZINC000603972652 565920963 /nfs/dbraw/zinc/92/09/63/565920963.db2.gz QTHSTMOMCDTOFL-UHFFFAOYSA-N -1 1 375.837 2.905 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2nccn2Cc2ccccc2)o1 ZINC000735939224 598925982 /nfs/dbraw/zinc/92/59/82/598925982.db2.gz LTFYQRBXLNNXCD-UHFFFAOYSA-N -1 1 377.412 2.669 20 30 GFEDMM COC(=O)c1cc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC000831258248 600762180 /nfs/dbraw/zinc/76/21/80/600762180.db2.gz RUMHYTLENICUET-CHWSQXEVSA-N -1 1 395.415 2.721 20 30 GFEDMM Cc1cc(N2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)nc(C(C)C)n1 ZINC000832891014 601310518 /nfs/dbraw/zinc/31/05/18/601310518.db2.gz ICCONNPJJQLEJY-IBGZPJMESA-N -1 1 379.464 2.728 20 30 GFEDMM N#Cc1ccc([C@H](NCc2cc3c(cc2OC(F)F)OCO3)C(=O)[O-])cc1 ZINC000833072602 601643701 /nfs/dbraw/zinc/64/37/01/601643701.db2.gz ONVUCIKPLMAGGD-INIZCTEOSA-N -1 1 376.315 2.804 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c(F)c1 ZINC000614342452 601981072 /nfs/dbraw/zinc/98/10/72/601981072.db2.gz SBESIPBVFHSMFS-HNNXBMFYSA-N -1 1 380.372 2.721 20 30 GFEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000738490780 602399603 /nfs/dbraw/zinc/39/96/03/602399603.db2.gz BDZMNRPWOFBWGZ-HOTGVXAUSA-N -1 1 379.526 2.973 20 30 GFEDMM N#C[C@@H](C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000831066082 604226033 /nfs/dbraw/zinc/22/60/33/604226033.db2.gz VCKHSPMAEVJLBJ-NEPJUHHUSA-N -1 1 392.362 2.767 20 30 GFEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833402395 605598016 /nfs/dbraw/zinc/59/80/16/605598016.db2.gz LHNBISAJJIUFGB-ZDUSSCGKSA-N -1 1 386.429 2.894 20 30 GFEDMM COc1cc(F)c(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1OC ZINC000821719959 607149160 /nfs/dbraw/zinc/14/91/60/607149160.db2.gz KPAMECWGVPQURP-UHFFFAOYSA-N -1 1 389.391 2.971 20 30 GFEDMM C=CCOc1ccc(C=CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1OC ZINC000823932413 607997834 /nfs/dbraw/zinc/99/78/34/607997834.db2.gz XKOHJIAOTDKHOG-WEVVVXLNSA-N -1 1 393.403 2.798 20 30 GFEDMM N#Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c(Br)c1 ZINC000826384965 609348446 /nfs/dbraw/zinc/34/84/46/609348446.db2.gz RLRNJEVTBWMCIP-UHFFFAOYSA-N -1 1 390.222 2.919 20 30 GFEDMM N#Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c(Br)c1 ZINC000826384965 609348448 /nfs/dbraw/zinc/34/84/48/609348448.db2.gz RLRNJEVTBWMCIP-UHFFFAOYSA-N -1 1 390.222 2.919 20 30 GFEDMM Cc1cc(C)n(N=Cc2ccc(Oc3ccccc3)o2)c(=O)c1-c1nn[n-]n1 ZINC000826265762 609518204 /nfs/dbraw/zinc/51/82/04/609518204.db2.gz MEMSECLUMDUIGK-UHFFFAOYSA-N -1 1 376.376 2.913 20 30 GFEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000832348272 660774385 /nfs/dbraw/zinc/77/43/85/660774385.db2.gz JMPREYVRTKGGPJ-PWSUYJOCSA-N -1 1 381.237 2.914 20 30 GFEDMM C=C(CC)C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br ZINC000832634735 660790950 /nfs/dbraw/zinc/79/09/50/660790950.db2.gz SKKGXQWYLGSDEU-UHFFFAOYSA-N -1 1 380.235 2.619 20 30 GFEDMM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cn(CC2CC2)nn1 ZINC000835065980 660840071 /nfs/dbraw/zinc/84/00/71/660840071.db2.gz VAPKCRGSVJRGIC-ZDUSSCGKSA-N -1 1 378.219 2.956 20 30 GFEDMM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000121810076 654724356 /nfs/dbraw/zinc/72/43/56/654724356.db2.gz QFBAOQHVYZHEPZ-NSHDSACASA-N -1 1 376.232 2.574 20 30 GFEDMM CC(C)S(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000052025244 654732268 /nfs/dbraw/zinc/73/22/68/654732268.db2.gz KEERENRZHGVACZ-UHFFFAOYSA-N -1 1 378.475 2.682 20 30 GFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000055578604 654777969 /nfs/dbraw/zinc/77/79/69/654777969.db2.gz HZVNTHCBKDOTMD-UHFFFAOYSA-N -1 1 375.837 2.928 20 30 GFEDMM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000066081116 654894261 /nfs/dbraw/zinc/89/42/61/654894261.db2.gz KTQLENLTOKSLHP-ZCFIWIBFSA-N -1 1 379.225 2.571 20 30 GFEDMM C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000066081116 654894263 /nfs/dbraw/zinc/89/42/63/654894263.db2.gz KTQLENLTOKSLHP-ZCFIWIBFSA-N -1 1 379.225 2.571 20 30 GFEDMM COc1ccc(NC(=S)NN=Cc2ccc([O-])c(Br)c2)cn1 ZINC000729641112 655566302 /nfs/dbraw/zinc/56/63/02/655566302.db2.gz RJHHUAVFFVUHSK-UHFFFAOYSA-N -1 1 381.255 2.879 20 30 GFEDMM Cc1cc(NN=Cc2ccc(OCC(=O)[O-])c(Br)c2)nc(C)n1 ZINC000743438904 655729079 /nfs/dbraw/zinc/72/90/79/655729079.db2.gz XWJKENMHKLQMHN-UHFFFAOYSA-N -1 1 379.214 2.765 20 30 GFEDMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCCCOc1cccc(C#N)c1 ZINC000763931703 656097032 /nfs/dbraw/zinc/09/70/32/656097032.db2.gz KMQXKGFVZVXYRU-UHFFFAOYSA-N -1 1 380.447 2.617 20 30 GFEDMM Cc1cccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1C#N ZINC000766199601 656164627 /nfs/dbraw/zinc/16/46/27/656164627.db2.gz GHFLXMQAEZOVDH-UHFFFAOYSA-N -1 1 381.251 2.813 20 30 GFEDMM CC(C)NS(=O)(=O)c1ccc(N=NC(C)c2ccc([O-])c(Cl)c2)nc1 ZINC000768773751 656250606 /nfs/dbraw/zinc/25/06/06/656250606.db2.gz PTUWSEUIZGTKSK-UHFFFAOYSA-N -1 1 382.873 2.963 20 30 GFEDMM COC(=O)c1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)c(Br)c1 ZINC000785848150 657389182 /nfs/dbraw/zinc/38/91/82/657389182.db2.gz DMQQRXBZVHLCIO-UHFFFAOYSA-N -1 1 389.205 2.743 20 30 GFEDMM COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)s1 ZINC000788058926 657641142 /nfs/dbraw/zinc/64/11/42/657641142.db2.gz RBEMXRLMEUQBKG-UHFFFAOYSA-N -1 1 399.881 2.972 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(I)c2)c(=O)o1 ZINC000789126341 657821216 /nfs/dbraw/zinc/82/12/16/657821216.db2.gz FYGHKTZHTDGIPF-VBROQKIQSA-N -1 1 382.153 2.519 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000797842075 659059227 /nfs/dbraw/zinc/05/92/27/659059227.db2.gz USYDOYKRYVJGHM-CABZTGNLSA-N -1 1 395.706 2.757 20 30 GFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H](O)c1c(Cl)cccc1Cl ZINC000805020138 659718457 /nfs/dbraw/zinc/71/84/57/659718457.db2.gz PJFDLZCUGZKFTJ-CLAHSXSESA-N -1 1 375.233 2.858 20 30 GFEDMM N#Cc1ccc(CS(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000808310512 659887250 /nfs/dbraw/zinc/88/72/50/659887250.db2.gz ZVZYFMPSBRVMNP-UHFFFAOYSA-N -1 1 381.251 2.646 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809842910 659948491 /nfs/dbraw/zinc/94/84/91/659948491.db2.gz IZRYVFCHALKRAE-XPTSAGLGSA-N -1 1 378.809 2.647 20 30 GFEDMM CC(Nc1sc(C)c(C)c1C#N)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000814389967 660079971 /nfs/dbraw/zinc/07/99/71/660079971.db2.gz RHVISGBDNOKOMB-JLHYYAGUSA-N -1 1 376.507 2.822 20 30 GFEDMM CC(Cc1ccc(Br)cc1)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000814848093 660097157 /nfs/dbraw/zinc/09/71/57/660097157.db2.gz NUKSCYUZORPARA-UHFFFAOYSA-N -1 1 375.230 2.862 20 30 GFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000841635125 661307074 /nfs/dbraw/zinc/30/70/74/661307074.db2.gz DZXMEUULGZHCSP-UHFFFAOYSA-N -1 1 394.298 2.562 20 30 GFEDMM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000859424613 662161821 /nfs/dbraw/zinc/16/18/21/662161821.db2.gz IOIQRBQBSSVSHC-VIFPVBQESA-N -1 1 381.237 2.608 20 30 GFEDMM Cn1nc(C2CC2)cc1S(=O)(=O)[N-]c1cccc(C#N)c1Br ZINC000901935698 663751600 /nfs/dbraw/zinc/75/16/00/663751600.db2.gz PNZBYWXCXUYYJX-UHFFFAOYSA-N -1 1 381.255 2.732 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)c1F ZINC000903095065 663773165 /nfs/dbraw/zinc/77/31/65/663773165.db2.gz SNZAEDHTXRPOEH-SNVBAGLBSA-N -1 1 379.251 2.813 20 30 GFEDMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cccs1 ZINC000156323740 551520000 /nfs/dbraw/zinc/52/00/00/551520000.db2.gz FEPYPNNNUMAXNK-GFCCVEGCSA-N -1 1 384.866 2.856 20 30 GFEDMM N#CC(=C([O-])c1cnn2cc(Br)cnc12)c1nc2ccccc2[nH]1 ZINC000179962897 552208131 /nfs/dbraw/zinc/20/81/31/552208131.db2.gz XMCLJAAUTUSIMY-JTQLQIEISA-N -1 1 381.193 2.858 20 30 GFEDMM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 ZINC000420736280 563281004 /nfs/dbraw/zinc/28/10/04/563281004.db2.gz YAMOBEKOZCNPIP-QWRGUYRKSA-N -1 1 391.262 2.696 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C2CCSCC2)cc1Br ZINC000295663725 563256568 /nfs/dbraw/zinc/25/65/68/563256568.db2.gz IMWDGEPUCCPSMU-UHFFFAOYSA-N -1 1 379.276 2.634 20 30 GFEDMM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 ZINC000420736278 563281214 /nfs/dbraw/zinc/28/12/14/563281214.db2.gz YAMOBEKOZCNPIP-MNOVXSKESA-N -1 1 391.262 2.696 20 30 GFEDMM Cc1ncc(S(=O)(=O)Nc2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1C#N ZINC000427303402 563465055 /nfs/dbraw/zinc/46/50/55/563465055.db2.gz ZVDIGXQQTHAJIR-NSHDSACASA-N -1 1 377.447 2.628 20 30 GFEDMM Cc1ncc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)cc1C#N ZINC000427788269 563475144 /nfs/dbraw/zinc/47/51/44/563475144.db2.gz KSGZUCIVYAPQNA-UHFFFAOYSA-N -1 1 387.646 2.873 20 30 GFEDMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 ZINC000432968384 563598685 /nfs/dbraw/zinc/59/86/85/563598685.db2.gz XXTHHXJREORGLI-UHFFFAOYSA-N -1 1 381.255 2.583 20 30 GFEDMM N#Cc1ccc(O[C@H]2CCN(C(=O)c3cc(Br)ccc3[O-])C2)nc1 ZINC000436868079 563683481 /nfs/dbraw/zinc/68/34/81/563683481.db2.gz FRNRVBADVFDORP-ZDUSSCGKSA-N -1 1 388.221 2.715 20 30 GFEDMM CSCCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451212251 564287431 /nfs/dbraw/zinc/28/74/31/564287431.db2.gz ACXMYFNKRUHKTF-UHFFFAOYSA-N -1 1 381.292 2.881 20 30 GFEDMM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451373968 564305957 /nfs/dbraw/zinc/30/59/57/564305957.db2.gz IPGISGNNHQIRHP-TVQRCGJNSA-N -1 1 391.262 2.553 20 30 GFEDMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)cc1 ZINC000476217664 564330459 /nfs/dbraw/zinc/33/04/59/564330459.db2.gz MLJYROHUEYSMIN-UHFFFAOYSA-N -1 1 378.475 2.908 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)cc1Br ZINC000528452257 564785963 /nfs/dbraw/zinc/78/59/63/564785963.db2.gz UYCJSUVGWRWEKH-JTQLQIEISA-N -1 1 391.262 2.555 20 30 GFEDMM N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528550215 564793997 /nfs/dbraw/zinc/79/39/97/564793997.db2.gz MDCGBGFHZOEBQE-CYBMUJFWSA-N -1 1 398.326 2.616 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(I)ccc2O)c1 ZINC000589185928 565155279 /nfs/dbraw/zinc/15/52/79/565155279.db2.gz YYSPQIZTVFYOTM-UHFFFAOYSA-N -1 1 380.141 2.826 20 30 GFEDMM Cn1cc(Br)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000593281406 565324391 /nfs/dbraw/zinc/32/43/91/565324391.db2.gz RLZLXZWMLGDQEV-UHFFFAOYSA-N -1 1 383.271 2.785 20 30 GFEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC(C)(C)CCC#N)c1F ZINC000594464927 565390101 /nfs/dbraw/zinc/39/01/01/565390101.db2.gz CCXDTPAUKCJTIO-UHFFFAOYSA-N -1 1 376.837 2.874 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@]2(Cc3ccc(Cl)cc3)CCCOC2)o1 ZINC000594728408 565412146 /nfs/dbraw/zinc/41/21/46/565412146.db2.gz FLYAIKODCNULIP-KRWDZBQOSA-N -1 1 380.853 2.875 20 30 GFEDMM N#C[C@H](NC(=O)c1csc(=NC2CC2)[n-]1)c1ccccc1Br ZINC000598386142 565612031 /nfs/dbraw/zinc/61/20/31/565612031.db2.gz GAGIINSCJUCEAQ-LBPRGKRZSA-N -1 1 377.267 2.896 20 30 GFEDMM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)nc1C ZINC000611024957 566111632 /nfs/dbraw/zinc/11/16/32/566111632.db2.gz NWBPTXJPVJKXEJ-UHFFFAOYSA-N -1 1 399.881 2.632 20 30 GFEDMM C[C@@H](C#N)Oc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC000735502526 598496435 /nfs/dbraw/zinc/49/64/35/598496435.db2.gz FQYXNIFTOIJOOK-NSHDSACASA-N -1 1 380.412 2.889 20 30 GFEDMM Cc1cc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)c(OC(F)F)cc1C ZINC000822199003 599334600 /nfs/dbraw/zinc/33/46/00/599334600.db2.gz RUQYEKNUUZUUNX-UHFFFAOYSA-N -1 1 388.378 2.746 20 30 GFEDMM C[C@H](CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000735978786 599604148 /nfs/dbraw/zinc/60/41/48/599604148.db2.gz ZJEUMVDZHNQJNV-MRVPVSSYSA-N -1 1 390.329 2.613 20 30 GFEDMM C[C@@H](NC(=O)[O-])C1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000739089418 602446391 /nfs/dbraw/zinc/44/63/91/602446391.db2.gz LFMZJMUWJGFHKN-KMFGOTIKSA-N -1 1 378.517 2.674 20 30 GFEDMM C=CCc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(OC)c1 ZINC000823937438 607576040 /nfs/dbraw/zinc/57/60/40/607576040.db2.gz XXHGIFSGDOLZEZ-UHFFFAOYSA-N -1 1 390.396 2.511 20 30 GFEDMM C=CCc1ccc(OS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(OC)c1 ZINC000823937438 607576042 /nfs/dbraw/zinc/57/60/42/607576042.db2.gz XXHGIFSGDOLZEZ-UHFFFAOYSA-N -1 1 390.396 2.511 20 30 GFEDMM C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CCN1CCC(=O)[O-] ZINC000833625418 605257684 /nfs/dbraw/zinc/25/76/84/605257684.db2.gz XWMWGZGHSIXIIB-MRXNPFEDSA-N -1 1 377.444 2.846 20 30 GFEDMM N#CC1(NC(=O)CN(C(=O)[O-])c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000833964122 605473066 /nfs/dbraw/zinc/47/30/66/605473066.db2.gz ZUFKUVACEIJVBV-UHFFFAOYSA-N -1 1 392.459 2.846 20 30 GFEDMM COCCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000821693061 606390206 /nfs/dbraw/zinc/39/02/06/606390206.db2.gz PLNIUJFTVKKMJN-XQRVVYSFSA-N -1 1 386.433 2.858 20 30 GFEDMM C=CCOc1ccc(C=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000819758905 606646903 /nfs/dbraw/zinc/64/69/03/606646903.db2.gz JEVGAPMGPQTBQG-FNORWQNLSA-N -1 1 393.403 2.592 20 30 GFEDMM C=CCOc1ccc(C=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000819758905 606646904 /nfs/dbraw/zinc/64/69/04/606646904.db2.gz JEVGAPMGPQTBQG-FNORWQNLSA-N -1 1 393.403 2.592 20 30 GFEDMM CC(C)Cc1ccc(CCCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC000824281037 607835632 /nfs/dbraw/zinc/83/56/32/607835632.db2.gz YCDSDLUQWLKIAC-UHFFFAOYSA-N -1 1 378.440 2.621 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)COc2cccc(F)c2-c2nnn[n-]2)cc1C ZINC000826289467 607866127 /nfs/dbraw/zinc/86/61/27/607866127.db2.gz BCXSNDMRTOWTBO-UHFFFAOYSA-N -1 1 394.410 2.948 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)COc2cccc(F)c2-c2nn[n-]n2)cc1C ZINC000826289467 607866128 /nfs/dbraw/zinc/86/61/28/607866128.db2.gz BCXSNDMRTOWTBO-UHFFFAOYSA-N -1 1 394.410 2.948 20 30 GFEDMM Cc1cc(C)n(N=Cc2ccc(F)c(C(F)(F)F)c2)c(=O)c1-c1nn[n-]n1 ZINC000826265461 607885364 /nfs/dbraw/zinc/88/53/64/607885364.db2.gz ACGWZTRVEDPWLX-UHFFFAOYSA-N -1 1 380.305 2.685 20 30 GFEDMM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400745 608094006 /nfs/dbraw/zinc/09/40/06/608094006.db2.gz HALLNNLAYWTXGS-RQOWECAXSA-N -1 1 385.424 2.800 20 30 GFEDMM O=C(C=Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400745 608094007 /nfs/dbraw/zinc/09/40/07/608094007.db2.gz HALLNNLAYWTXGS-RQOWECAXSA-N -1 1 385.424 2.800 20 30 GFEDMM N#Cc1cccc(OC2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)c1 ZINC000826387221 608182841 /nfs/dbraw/zinc/18/28/41/608182841.db2.gz LCHYVIHSKRAIHS-UHFFFAOYSA-N -1 1 387.856 2.896 20 30 GFEDMM N#Cc1cccc(OC2CCN(c3snc(Cl)c3-c3nn[n-]n3)CC2)c1 ZINC000826387221 608182842 /nfs/dbraw/zinc/18/28/42/608182842.db2.gz LCHYVIHSKRAIHS-UHFFFAOYSA-N -1 1 387.856 2.896 20 30 GFEDMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)co1 ZINC000270024115 655031763 /nfs/dbraw/zinc/03/17/63/655031763.db2.gz FJIKWLUZXSHMPP-LLVKDONJSA-N -1 1 379.463 2.834 20 30 GFEDMM CSc1nc(C)c(CCC(=O)OC[C@@H](C#N)Cc2cccs2)c(=O)[n-]1 ZINC000180111505 655322043 /nfs/dbraw/zinc/32/20/43/655322043.db2.gz CEJZMIALNCFYQF-GFCCVEGCSA-N -1 1 377.491 2.720 20 30 GFEDMM O=c1c2ccccc2[nH]c(=S)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000725859208 655528057 /nfs/dbraw/zinc/52/80/57/655528057.db2.gz QFSBZVYPDKSBJP-UHFFFAOYSA-N -1 1 376.781 2.835 20 30 GFEDMM COc1ccc(NC(=S)NN=Cc2cccc(Br)c2[O-])cn1 ZINC000729640575 655566275 /nfs/dbraw/zinc/56/62/75/655566275.db2.gz DTKTYUJCPSMSGY-UHFFFAOYSA-N -1 1 381.255 2.879 20 30 GFEDMM COc1ccc(C=NNc2ccc(Br)cn2)c(OCC(=O)[O-])c1 ZINC000734365433 655629642 /nfs/dbraw/zinc/62/96/42/655629642.db2.gz HPIKDPITCDTLMZ-UHFFFAOYSA-N -1 1 380.198 2.762 20 30 GFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cc2n(n1)CCCO2 ZINC000763933435 656097017 /nfs/dbraw/zinc/09/70/17/656097017.db2.gz VIDMDMOIEZAQPF-JTQLQIEISA-N -1 1 379.203 2.934 20 30 GFEDMM C=CCC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000776589054 656763652 /nfs/dbraw/zinc/76/36/52/656763652.db2.gz TVEDWLJBGXQBJR-SECBINFHSA-N -1 1 383.209 2.599 20 30 GFEDMM C#CCSCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000788059348 657641175 /nfs/dbraw/zinc/64/11/75/657641175.db2.gz SARONEXFSPDBRH-UHFFFAOYSA-N -1 1 386.695 2.886 20 30 GFEDMM C=CCCCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(I)c1 ZINC000794031784 658480642 /nfs/dbraw/zinc/48/06/42/658480642.db2.gz CLZHRMATMUVSCS-UHFFFAOYSA-N -1 1 396.206 2.907 20 30 GFEDMM C=CCSCC[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000795807224 658854109 /nfs/dbraw/zinc/85/41/09/658854109.db2.gz ROEZUHHIASBRJT-UHFFFAOYSA-N -1 1 399.263 2.694 20 30 GFEDMM CCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)c(N)c1 ZINC000814865457 660097439 /nfs/dbraw/zinc/09/74/39/660097439.db2.gz SFCYSEPKYWWXST-UHFFFAOYSA-N -1 1 382.829 2.923 20 30 GFEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815043303 660106505 /nfs/dbraw/zinc/10/65/05/660106505.db2.gz SXHXDPSPQXXOMR-LKFCYVNXSA-N -1 1 378.809 2.647 20 30 GFEDMM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000859423693 662161550 /nfs/dbraw/zinc/16/15/50/662161550.db2.gz ITPANPJSRLZYJF-VIFPVBQESA-N -1 1 398.681 2.948 20 30 GFEDMM [O-]c1cc(Br)cnc1C=NN1C(=S)N=NC1[C@H]1CCCCO1 ZINC000901194738 663732207 /nfs/dbraw/zinc/73/22/07/663732207.db2.gz OUMPSDMZTVRYQN-LLVKDONJSA-N -1 1 384.259 2.554 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C#N)c1F ZINC000917249968 664479065 /nfs/dbraw/zinc/47/90/65/664479065.db2.gz GSCBCZDESAIKIJ-GXSJLCMTSA-N -1 1 391.262 2.957 20 30 GFEDMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)c(F)c1 ZINC000155086625 551491197 /nfs/dbraw/zinc/49/11/97/551491197.db2.gz PYGYMQVNVQSWTJ-OAHLLOKOSA-N -1 1 382.800 2.543 20 30 GFEDMM N#Cc1c2c(sc1[N-]C(=O)c1nc3ncc(Br)cn3n1)CCC2 ZINC000194086358 553010942 /nfs/dbraw/zinc/01/09/42/553010942.db2.gz SRRSVCFESJQGKI-UHFFFAOYSA-N -1 1 389.238 2.561 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000436993348 563687917 /nfs/dbraw/zinc/68/79/17/563687917.db2.gz BFRZDCCNOJGXNU-UHFFFAOYSA-N -1 1 397.206 2.525 20 30 GFEDMM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000416529903 563843874 /nfs/dbraw/zinc/84/38/74/563843874.db2.gz FMUSPYNORBEEIA-PHIMTYICSA-N -1 1 391.262 2.694 20 30 GFEDMM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451228842 564289299 /nfs/dbraw/zinc/28/92/99/564289299.db2.gz PGICJLJLDPQGPR-ZDUSSCGKSA-N -1 1 393.278 2.535 20 30 GFEDMM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000480742267 564485925 /nfs/dbraw/zinc/48/59/25/564485925.db2.gz VQVVVLORQMYXHX-UHFFFAOYSA-N -1 1 381.797 2.607 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc3cc(Br)ccc3[nH]2)o1 ZINC000553522675 564723929 /nfs/dbraw/zinc/72/39/29/564723929.db2.gz LAAMLWWEFROBHG-UHFFFAOYSA-N -1 1 380.223 2.874 20 30 GFEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(OC)c1 ZINC000493129878 564806777 /nfs/dbraw/zinc/80/67/77/564806777.db2.gz GKCLBBFQBWOBNC-UHFFFAOYSA-N -1 1 380.809 2.808 20 30 GFEDMM C=CCCN(C)C(=O)c1c[nH]c2ccc(I)cc2c1=O ZINC000466631423 564944182 /nfs/dbraw/zinc/94/41/82/564944182.db2.gz WMMIDEBXEYKFMX-UHFFFAOYSA-N -1 1 382.201 2.781 20 30 GFEDMM Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000614293482 565105503 /nfs/dbraw/zinc/10/55/03/565105503.db2.gz UYSGXEBHGDYRGN-UHFFFAOYSA-N -1 1 388.221 2.703 20 30 GFEDMM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000590749876 565200509 /nfs/dbraw/zinc/20/05/09/565200509.db2.gz ZZVLRQQGPAPNAM-ZJUUUORDSA-N -1 1 391.262 2.553 20 30 GFEDMM C=CC[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)cc2F)C1 ZINC000625354637 565623340 /nfs/dbraw/zinc/62/33/40/565623340.db2.gz JYUFMWVDIRWFOB-ZDUSSCGKSA-N -1 1 390.502 2.564 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3nccn3c2)c1 ZINC000610657410 566091786 /nfs/dbraw/zinc/09/17/86/566091786.db2.gz OVIZCSQHNZCTIO-UHFFFAOYSA-N -1 1 377.223 2.769 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2nccn2Cc2ccccc2)o1 ZINC000735657192 598925955 /nfs/dbraw/zinc/92/59/55/598925955.db2.gz QNDBHZYIYCMJFK-UHFFFAOYSA-N -1 1 391.439 2.843 20 30 GFEDMM C=CCn1c(C)cc(C(=O)Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)c1C ZINC000735443170 598502534 /nfs/dbraw/zinc/50/25/34/598502534.db2.gz RUBAPTGTYWQNRJ-UHFFFAOYSA-N -1 1 388.431 2.669 20 30 GFEDMM C#Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000819709849 599310862 /nfs/dbraw/zinc/31/08/62/599310862.db2.gz ROEJHMFPXJJSPD-NTEUORMPSA-N -1 1 379.426 2.847 20 30 GFEDMM C#Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)c1 ZINC000819709849 599310865 /nfs/dbraw/zinc/31/08/65/599310865.db2.gz ROEJHMFPXJJSPD-NTEUORMPSA-N -1 1 379.426 2.847 20 30 GFEDMM N#CC(C(=O)c1cccc(NC(=O)[O-])c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000739073976 600056382 /nfs/dbraw/zinc/05/63/82/600056382.db2.gz GHRVQXCOUUXKDH-CQSZACIVSA-N -1 1 389.375 2.777 20 30 GFEDMM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)c1C#N ZINC000832849706 601951705 /nfs/dbraw/zinc/95/17/05/601951705.db2.gz QEEAZPQLUDBCFZ-QFIPXVFZSA-N -1 1 394.475 2.760 20 30 GFEDMM CN(CC1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1)C(=O)[O-] ZINC000739666981 602382690 /nfs/dbraw/zinc/38/26/90/602382690.db2.gz WULVWOVZXHEUQE-MRXNPFEDSA-N -1 1 393.447 2.545 20 30 GFEDMM N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1csc(CNC(=O)[O-])n1 ZINC000740303828 602728188 /nfs/dbraw/zinc/72/81/88/602728188.db2.gz MSEJDGBJXMJLBW-MRVPVSSYSA-N -1 1 378.797 2.525 20 30 GFEDMM N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(CNC(=O)[O-])n1 ZINC000740303828 602728190 /nfs/dbraw/zinc/72/81/90/602728190.db2.gz MSEJDGBJXMJLBW-MRVPVSSYSA-N -1 1 378.797 2.525 20 30 GFEDMM C[C@@H]1CCCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H]1CNC(=O)[O-] ZINC000825926193 603729717 /nfs/dbraw/zinc/72/97/17/603729717.db2.gz UVPNJCVNXBWNHX-DDUZABMNSA-N -1 1 393.447 2.592 20 30 GFEDMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)c(C)n1-c1ccc(C#N)cc1 ZINC000833741963 605206817 /nfs/dbraw/zinc/20/68/17/605206817.db2.gz DOTMVAKVQUQQRR-INIZCTEOSA-N -1 1 394.475 2.587 20 30 GFEDMM C[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCN1CCC(=O)[O-] ZINC000833619143 605258833 /nfs/dbraw/zinc/25/88/33/605258833.db2.gz ATHOIJBKEMHQCC-INIZCTEOSA-N -1 1 393.443 2.972 20 30 GFEDMM N#CCSc1ccccc1NC(=O)CN1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1 ZINC000833966897 605450164 /nfs/dbraw/zinc/45/01/64/605450164.db2.gz FMCLXAOOXMDWHD-RRFJBIMHSA-N -1 1 388.493 2.609 20 30 GFEDMM C[C@H](C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000819877274 606113728 /nfs/dbraw/zinc/11/37/28/606113728.db2.gz SBZRIIPVUXTOHF-LURJTMIESA-N -1 1 377.195 2.510 20 30 GFEDMM Cc1c(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cnn1-c1ccccn1 ZINC000819782544 606237404 /nfs/dbraw/zinc/23/74/04/606237404.db2.gz NEJZSAUBUMYHKK-UHFFFAOYSA-N -1 1 392.427 2.703 20 30 GFEDMM N#Cc1cccc(OC2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)c1 ZINC000822837675 606465465 /nfs/dbraw/zinc/46/54/65/606465465.db2.gz RJNIQUTVKVFQCS-UHFFFAOYSA-N -1 1 381.827 2.835 20 30 GFEDMM N#Cc1cccc(OC2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)c1 ZINC000822837675 606465467 /nfs/dbraw/zinc/46/54/67/606465467.db2.gz RJNIQUTVKVFQCS-UHFFFAOYSA-N -1 1 381.827 2.835 20 30 GFEDMM C=CCOc1ccc(C=CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1OC ZINC000819758902 606647085 /nfs/dbraw/zinc/64/70/85/606647085.db2.gz JEVGAPMGPQTBQG-ALCCZGGFSA-N -1 1 393.403 2.592 20 30 GFEDMM C=CCOc1ccc(C=CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1OC ZINC000819758902 606647086 /nfs/dbraw/zinc/64/70/86/606647086.db2.gz JEVGAPMGPQTBQG-ALCCZGGFSA-N -1 1 393.403 2.592 20 30 GFEDMM C=CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccc(F)cc1 ZINC000823937372 607895330 /nfs/dbraw/zinc/89/53/30/607895330.db2.gz UYGLFCWVDHLZLM-UHFFFAOYSA-N -1 1 380.412 2.997 20 30 GFEDMM C=CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccc(F)cc1 ZINC000823937372 607895331 /nfs/dbraw/zinc/89/53/31/607895331.db2.gz UYGLFCWVDHLZLM-UHFFFAOYSA-N -1 1 380.412 2.997 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)CCSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000748613955 655792838 /nfs/dbraw/zinc/79/28/38/655792838.db2.gz NGTJWSHNLJFHPO-UHFFFAOYSA-N -1 1 389.380 2.639 20 30 GFEDMM [O-]c1c(O)cc(C=NN2C(=S)N=NC2c2ccco2)cc1Br ZINC000757564340 655913227 /nfs/dbraw/zinc/91/32/27/655913227.db2.gz RXMPBYFFHBBYNX-UHFFFAOYSA-N -1 1 381.211 2.883 20 30 GFEDMM O=S1(=O)[N-]C(=NN=Cc2cc(F)ccc2Br)c2ccccc21 ZINC000761254049 656005405 /nfs/dbraw/zinc/00/54/05/656005405.db2.gz MWUZPXOJTFVYMP-UHFFFAOYSA-N -1 1 382.214 2.661 20 30 GFEDMM O=S1(=O)[N-]/C(=N/Cc2nc(-c3ccc(Cl)s3)no2)c2ccccc21 ZINC000771325801 656346218 /nfs/dbraw/zinc/34/62/18/656346218.db2.gz UHKLLVGVQWOPIA-UHFFFAOYSA-N -1 1 380.838 2.690 20 30 GFEDMM Cc1cc(Br)c([O-])c(C=NN=C2NS(=O)(=O)c3ccccc32)c1 ZINC000781590275 657065371 /nfs/dbraw/zinc/06/53/71/657065371.db2.gz XKDKQLIBFGXHRB-UHFFFAOYSA-N -1 1 394.250 2.536 20 30 GFEDMM N#CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000785483044 657368048 /nfs/dbraw/zinc/36/80/48/657368048.db2.gz RBDDCZXPXKYSTA-UHFFFAOYSA-N -1 1 395.234 2.930 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)cc1F ZINC000793384212 658392445 /nfs/dbraw/zinc/39/24/45/658392445.db2.gz IWFLPMFWPACLDY-UHFFFAOYSA-N -1 1 377.788 2.732 20 30 GFEDMM N#Cc1ccc(NCC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)nc1 ZINC000797820204 659054590 /nfs/dbraw/zinc/05/45/90/659054590.db2.gz LCHXBKVDHLFZJJ-UHFFFAOYSA-N -1 1 389.239 2.790 20 30 GFEDMM COc1cc(Br)cc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c1 ZINC000901773791 663745572 /nfs/dbraw/zinc/74/55/72/663745572.db2.gz XMXUKEDLEPOOBK-SNVBAGLBSA-N -1 1 387.177 2.581 20 30 GFEDMM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181657 663827089 /nfs/dbraw/zinc/82/70/89/663827089.db2.gz XVPJLKGYXTVFFS-KRWDZBQOSA-N -1 1 385.247 2.633 20 30 GFEDMM Cc1csc(C(C#N)=C([O-])c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)n1 ZINC000041519230 551135902 /nfs/dbraw/zinc/13/59/02/551135902.db2.gz WHBPLTXEJYJIQV-AWEZNQCLSA-N -1 1 377.491 2.809 20 30 GFEDMM C=C(C)[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)c1ccc(F)c(F)c1 ZINC000186130624 552380079 /nfs/dbraw/zinc/38/00/79/552380079.db2.gz CYZZDSUIDFJOGC-GFCCVEGCSA-N -1 1 388.417 2.804 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1Br ZINC000432772407 563592927 /nfs/dbraw/zinc/59/29/27/563592927.db2.gz UEXLJLQOEXVAMQ-UHFFFAOYSA-N -1 1 395.238 2.612 20 30 GFEDMM N#CC1(NC(=O)c2c([O-])cnc3c(Br)cccc32)CCOCC1 ZINC000292061604 563772095 /nfs/dbraw/zinc/77/20/95/563772095.db2.gz ZJOARBLNKMWDQQ-UHFFFAOYSA-N -1 1 376.210 2.505 20 30 GFEDMM CC(C)OCCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451388499 564308382 /nfs/dbraw/zinc/30/83/82/564308382.db2.gz KPRKWYYILGLVSF-UHFFFAOYSA-N -1 1 393.278 2.943 20 30 GFEDMM CCOC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451439261 564313493 /nfs/dbraw/zinc/31/34/93/564313493.db2.gz XKRRYVZTVICABD-UHFFFAOYSA-N -1 1 379.251 2.553 20 30 GFEDMM CCSCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451505392 564320950 /nfs/dbraw/zinc/32/09/50/564320950.db2.gz UEXWNUFYHXASGY-UHFFFAOYSA-N -1 1 381.292 2.881 20 30 GFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1NC(N)=O ZINC000487398055 564686468 /nfs/dbraw/zinc/68/64/68/564686468.db2.gz PEPKTACZUIDBKV-UHFFFAOYSA-N -1 1 380.813 2.512 20 30 GFEDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1ccccc1Br ZINC000553768511 564734988 /nfs/dbraw/zinc/73/49/88/564734988.db2.gz SZOHFLWJUZFEMN-JTQLQIEISA-N -1 1 385.239 2.660 20 30 GFEDMM Cc1nc([C@@](C)([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)C2CC2)no1 ZINC000581767673 564817612 /nfs/dbraw/zinc/81/76/12/564817612.db2.gz KCBDELTXGKHAHM-INIZCTEOSA-N -1 1 380.857 2.701 20 30 GFEDMM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000592115171 565258380 /nfs/dbraw/zinc/25/83/80/565258380.db2.gz RVAFUVPEVGKHRQ-CPCISQLKSA-N -1 1 379.276 2.632 20 30 GFEDMM O=S(=O)([N-][C@H]1CC[C@](O)(C(F)(F)F)C1)c1ccc(F)cc1C(F)(F)F ZINC000644278135 565469277 /nfs/dbraw/zinc/46/92/77/565469277.db2.gz GDZKOVDQOKEOPC-GZMMTYOYSA-N -1 1 395.296 2.969 20 30 GFEDMM C=C[C@H](C)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000678304223 566006109 /nfs/dbraw/zinc/00/61/09/566006109.db2.gz LATNQZKGFJPIJH-YFKPBYRVSA-N -1 1 381.635 2.802 20 30 GFEDMM N#Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)nc1 ZINC000737710056 598836335 /nfs/dbraw/zinc/83/63/35/598836335.db2.gz QWKKNROUVAOMCU-UHFFFAOYSA-N -1 1 387.428 2.792 20 30 GFEDMM C=CCCCOC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1-c1nn[n-]n1 ZINC000735412487 599277711 /nfs/dbraw/zinc/27/77/11/599277711.db2.gz CZKIRDHCOUCHNA-UHFFFAOYSA-N -1 1 389.359 2.588 20 30 GFEDMM C[C@@H](CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000735978787 599603896 /nfs/dbraw/zinc/60/38/96/599603896.db2.gz ZJEUMVDZHNQJNV-QMMMGPOBSA-N -1 1 390.329 2.613 20 30 GFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000739105328 600564094 /nfs/dbraw/zinc/56/40/94/600564094.db2.gz KIMYGSFQIYYUQC-LJQANCHMSA-N -1 1 381.407 2.671 20 30 GFEDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000827369112 601134720 /nfs/dbraw/zinc/13/47/20/601134720.db2.gz OMGHFJBJWYSLNV-LLVKDONJSA-N -1 1 384.358 2.590 20 30 GFEDMM CCOc1cc(C(=O)[C@H](C#N)c2nc3[nH]ccc(C)c-3n2)ccc1OCC(=O)[O-] ZINC000830027139 601142997 /nfs/dbraw/zinc/14/29/97/601142997.db2.gz NPOGRLIPPDKPAL-ZDUSSCGKSA-N -1 1 394.387 2.619 20 30 GFEDMM N#Cc1cccc([C@H](NCc2cccc(NC(=O)[C@H]3CCCO3)c2)C(=O)[O-])c1 ZINC000833075587 601303720 /nfs/dbraw/zinc/30/37/20/601303720.db2.gz MLGASKGPIIOBOH-MOPGFXCFSA-N -1 1 379.416 2.591 20 30 GFEDMM N#Cc1cccc([C@@H](NCc2cc3c(cc2OC(F)F)OCO3)C(=O)[O-])c1 ZINC000833075597 601643483 /nfs/dbraw/zinc/64/34/83/601643483.db2.gz MLKYECMCXZIWQW-MRXNPFEDSA-N -1 1 376.315 2.804 20 30 GFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000740066957 602530976 /nfs/dbraw/zinc/53/09/76/602530976.db2.gz OPLBIPDLUZUQOY-ZWKOTPCHSA-N -1 1 386.496 2.870 20 30 GFEDMM C#CCOc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cc1 ZINC000823462944 603910546 /nfs/dbraw/zinc/91/05/46/603910546.db2.gz HSIYFLZRZGKOGL-UHFFFAOYSA-N -1 1 391.387 2.504 20 30 GFEDMM C#CCOc1ccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cc1 ZINC000823462944 603910547 /nfs/dbraw/zinc/91/05/47/603910547.db2.gz HSIYFLZRZGKOGL-UHFFFAOYSA-N -1 1 391.387 2.504 20 30 GFEDMM CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1 ZINC000828383307 604075897 /nfs/dbraw/zinc/07/58/97/604075897.db2.gz YCLCFYJABOXAAS-FQEVSTJZSA-N -1 1 392.459 2.647 20 30 GFEDMM CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCN(C(=O)[O-])CC1 ZINC000828091478 604169905 /nfs/dbraw/zinc/16/99/05/604169905.db2.gz YWVVQHCCQZEFEH-UHFFFAOYSA-N -1 1 378.860 2.661 20 30 GFEDMM C=CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)c1 ZINC000552650166 604860216 /nfs/dbraw/zinc/86/02/16/604860216.db2.gz JMTSYRXHBGPPOR-UHFFFAOYSA-N -1 1 393.417 2.768 20 30 GFEDMM C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)CCN1CCC(=O)[O-] ZINC000833625415 605257849 /nfs/dbraw/zinc/25/78/49/605257849.db2.gz XWMWGZGHSIXIIB-INIZCTEOSA-N -1 1 377.444 2.846 20 30 GFEDMM C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CCN1CCC(=O)[O-] ZINC000833621227 605407978 /nfs/dbraw/zinc/40/79/78/605407978.db2.gz ITLWSAZRQGVQHQ-MRXNPFEDSA-N -1 1 393.443 2.972 20 30 GFEDMM N#Cc1ccc(O)c(NC(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)c1 ZINC000833978093 605539222 /nfs/dbraw/zinc/53/92/22/605539222.db2.gz ZYGHNNYPRBBOQL-UHFFFAOYSA-N -1 1 380.404 2.827 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc([C@@H]3CCCO3)s2)o1 ZINC000824280760 607886595 /nfs/dbraw/zinc/88/65/95/607886595.db2.gz SUIAGWIVSGFBME-NSHDSACASA-N -1 1 388.457 2.807 20 30 GFEDMM N#Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)c(Cl)c([N+](=O)[O-])c1 ZINC000826384301 608163472 /nfs/dbraw/zinc/16/34/72/608163472.db2.gz PSQYDCSZCUJTJJ-UHFFFAOYSA-N -1 1 375.757 2.614 20 30 GFEDMM Cn1cc(C=C2Oc3cc([O-])ccc3C2=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826359375 609309818 /nfs/dbraw/zinc/30/98/18/609309818.db2.gz FEWKJDXVELMTSA-IUXPMGMMSA-N -1 1 386.371 2.589 20 30 GFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cc1Cl ZINC000826385861 609338845 /nfs/dbraw/zinc/33/88/45/609338845.db2.gz FHQKSFBDMOLBFM-UHFFFAOYSA-N -1 1 395.231 2.846 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCCC[C@@H]2NC(=O)OC(C)(C)C)o1 ZINC000826322980 609467915 /nfs/dbraw/zinc/46/79/15/609467915.db2.gz KMWFYHFYHABBBO-NSHDSACASA-N -1 1 390.448 2.788 20 30 GFEDMM C=CCn1c(Cc2csc(=NC(=O)c3sccc3C#N)[nH]2)n[n-]c1=S ZINC000052147667 654733623 /nfs/dbraw/zinc/73/36/23/654733623.db2.gz NWNVWKAWDUOZQG-UHFFFAOYSA-N -1 1 388.503 2.781 20 30 GFEDMM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2NC1=O ZINC000055576598 654777931 /nfs/dbraw/zinc/77/79/31/654777931.db2.gz RKARZCWKVGPMFL-VIFPVBQESA-N -1 1 377.809 2.732 20 30 GFEDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000273611102 655150927 /nfs/dbraw/zinc/15/09/27/655150927.db2.gz OLNJRJGDQLUWRB-ZETCQYMHSA-N -1 1 376.385 2.777 20 30 GFEDMM C[C@@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000576857518 655453246 /nfs/dbraw/zinc/45/32/46/655453246.db2.gz ZOWUATHTTIJHGA-LBPRGKRZSA-N -1 1 398.893 2.968 20 30 GFEDMM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000578218430 655474242 /nfs/dbraw/zinc/47/42/42/655474242.db2.gz JBHDKWYDEZFEDB-MNOVXSKESA-N -1 1 384.654 2.863 20 30 GFEDMM CC(C)(C)c1ncc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000746491883 655762661 /nfs/dbraw/zinc/76/26/61/655762661.db2.gz LGIIWHAPJACWKY-UHFFFAOYSA-N -1 1 382.467 2.802 20 30 GFEDMM N#CC1(NC(=O)COC(=O)c2ccc(Br)c([O-])c2)CCCCC1 ZINC000750557106 655815195 /nfs/dbraw/zinc/81/51/95/655815195.db2.gz ZNCNPWCLJZUDHI-UHFFFAOYSA-N -1 1 381.226 2.654 20 30 GFEDMM [O-]c1c(Br)cc(O)cc1C=NNC(=S)NCc1ccc(F)cc1 ZINC000755620405 655886391 /nfs/dbraw/zinc/88/63/91/655886391.db2.gz XXDYXLLHOXKXDO-UHFFFAOYSA-N -1 1 398.257 2.998 20 30 GFEDMM O=c1[nH]c(NN=Cc2cc(O)cc(Br)c2[O-])nc2ccccc12 ZINC000755765569 655888676 /nfs/dbraw/zinc/88/86/76/655888676.db2.gz GLEKMJDQGVFEBY-UHFFFAOYSA-N -1 1 375.182 2.955 20 30 GFEDMM O=c1cn[n-]c(=S)n1N=C(CC(F)(F)F)c1ccc(Br)cc1 ZINC000766483404 656172973 /nfs/dbraw/zinc/17/29/73/656172973.db2.gz VGCYFZQAHOAJSA-UHFFFAOYSA-N -1 1 393.188 2.894 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]N=c2[nH]cc(C(F)(F)F)cc2Cl)s1 ZINC000797815476 659053522 /nfs/dbraw/zinc/05/35/22/659053522.db2.gz RHPDIHHFQRBMLE-UHFFFAOYSA-N -1 1 382.776 2.992 20 30 GFEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815043312 660106407 /nfs/dbraw/zinc/10/64/07/660106407.db2.gz SXHXDPSPQXXOMR-YMTOWFKASA-N -1 1 378.809 2.647 20 30 GFEDMM C=CCOC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)OC ZINC000843874461 661395264 /nfs/dbraw/zinc/39/52/64/661395264.db2.gz LLDKFPFBDIONCV-NSHDSACASA-N -1 1 382.190 2.946 20 30 GFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1sccc1Br ZINC000915051049 664419801 /nfs/dbraw/zinc/41/98/01/664419801.db2.gz SADXBYKYTLHZEP-UHFFFAOYSA-N -1 1 384.280 2.973 20 30 GFEDMM N#Cc1ccc(NCC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)nc1 ZINC000917880277 664491889 /nfs/dbraw/zinc/49/18/89/664491889.db2.gz WFJOLQHBFXOADV-UHFFFAOYSA-N -1 1 377.278 2.712 20 30 GFEDMM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000063879674 551184662 /nfs/dbraw/zinc/18/46/62/551184662.db2.gz SKXUVZYKKZULGO-UHFFFAOYSA-N -1 1 384.866 2.557 20 30 GFEDMM C=CCCCCCN(C)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000151688374 551419586 /nfs/dbraw/zinc/41/95/86/551419586.db2.gz GKDFFHFLPIFKPY-UHFFFAOYSA-N -1 1 378.491 2.564 20 30 GFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ccc(Cl)c(F)c1 ZINC000155086721 551491210 /nfs/dbraw/zinc/49/12/10/551491210.db2.gz PYGYMQVNVQSWTJ-HNNXBMFYSA-N -1 1 382.800 2.543 20 30 GFEDMM COC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccco1 ZINC000155267509 551495871 /nfs/dbraw/zinc/49/58/71/551495871.db2.gz HMPGDBLKORCIAF-ZDUSSCGKSA-N -1 1 385.239 2.580 20 30 GFEDMM N#Cc1ccc(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)cc1[O-] ZINC000430119649 563534060 /nfs/dbraw/zinc/53/40/60/563534060.db2.gz GBNICTBFEFNXEQ-ZDUSSCGKSA-N -1 1 389.249 2.607 20 30 GFEDMM CN(CC(F)(F)F)C(=O)C(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000411384031 563617353 /nfs/dbraw/zinc/61/73/53/563617353.db2.gz PDHZKMJZEJRGKY-SECBINFHSA-N -1 1 378.219 2.705 20 30 GFEDMM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000435436675 563651569 /nfs/dbraw/zinc/65/15/69/563651569.db2.gz GXOYOCUVNFTQJW-UHFFFAOYSA-N -1 1 376.507 2.562 20 30 GFEDMM C[C@@H](C#N)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000539978998 564234157 /nfs/dbraw/zinc/23/41/57/564234157.db2.gz JNKWKLSZHZBBFR-JTQLQIEISA-N -1 1 379.825 2.945 20 30 GFEDMM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451334373 564301594 /nfs/dbraw/zinc/30/15/94/564301594.db2.gz AUMBQRNPQPURKL-JTQLQIEISA-N -1 1 393.278 2.535 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])cc1Cl ZINC000548548978 564558665 /nfs/dbraw/zinc/55/86/65/564558665.db2.gz OERCCWZKNDUBAU-UHFFFAOYSA-N -1 1 381.753 2.619 20 30 GFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1NS(C)(=O)=O ZINC000518841957 564563533 /nfs/dbraw/zinc/56/35/33/564563533.db2.gz SKSALPGQRPPWMU-UHFFFAOYSA-N -1 1 399.881 2.692 20 30 GFEDMM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1nc(C2CCC2)n[nH]1 ZINC000583444211 564892414 /nfs/dbraw/zinc/89/24/14/564892414.db2.gz RFPWNVGXPBWGPK-UHFFFAOYSA-N -1 1 382.243 2.507 20 30 GFEDMM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000562551540 565033575 /nfs/dbraw/zinc/03/35/75/565033575.db2.gz GEMIHDYJPZSQBV-MNOVXSKESA-N -1 1 384.654 2.863 20 30 GFEDMM Cc1[n-][nH]c(=NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1Br ZINC000597731458 565573286 /nfs/dbraw/zinc/57/32/86/565573286.db2.gz KYYGTLJEGAIAEC-CQSZACIVSA-N -1 1 377.242 2.816 20 30 GFEDMM C#CCSCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735388278 598849378 /nfs/dbraw/zinc/84/93/78/598849378.db2.gz WGYCQRLOWGTEFH-UHFFFAOYSA-N -1 1 397.435 2.894 20 30 GFEDMM C#CCSCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735388278 598849379 /nfs/dbraw/zinc/84/93/79/598849379.db2.gz WGYCQRLOWGTEFH-UHFFFAOYSA-N -1 1 397.435 2.894 20 30 GFEDMM CCC(CC)CN(CCC#N)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736337590 598239434 /nfs/dbraw/zinc/23/94/34/598239434.db2.gz LDYKIOSQNOKZIW-UHFFFAOYSA-N -1 1 399.499 2.695 20 30 GFEDMM C#Cc1ccc(C(=O)Nc2ccc(Oc3ncccc3-c3nn[n-]n3)cc2C)cn1 ZINC000735390389 598735807 /nfs/dbraw/zinc/73/58/07/598735807.db2.gz YVIMOXKEQOKDTI-UHFFFAOYSA-N -1 1 397.398 2.991 20 30 GFEDMM Cc1cc(C)n(N=Cc2c(Cl)cccc2OC(F)F)c(=O)c1-c1nn[n-]n1 ZINC000737256174 598789239 /nfs/dbraw/zinc/78/92/39/598789239.db2.gz HMUXLOAUWMQSKG-UHFFFAOYSA-N -1 1 394.769 2.782 20 30 GFEDMM S=C(NN=Cc1ccc(-c2nnn[n-]2)o1)Nc1cccc(Br)c1 ZINC000823733462 599336669 /nfs/dbraw/zinc/33/66/69/599336669.db2.gz XIXMRAXUFWIMRA-UHFFFAOYSA-N -1 1 392.242 2.543 20 30 GFEDMM S=C(NN=Cc1ccc(-c2nn[n-]n2)o1)Nc1cccc(Br)c1 ZINC000823733462 599336672 /nfs/dbraw/zinc/33/66/72/599336672.db2.gz XIXMRAXUFWIMRA-UHFFFAOYSA-N -1 1 392.242 2.543 20 30 GFEDMM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000822223622 607376679 /nfs/dbraw/zinc/37/66/79/607376679.db2.gz DMPHXFTUXITYBB-UHFFFAOYSA-N -1 1 398.448 2.635 20 30 GFEDMM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000738501628 600492972 /nfs/dbraw/zinc/49/29/72/600492972.db2.gz WRGPJKRWKDYUJA-UHFFFAOYSA-N -1 1 382.344 2.967 20 30 GFEDMM C#Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000097150742 600673216 /nfs/dbraw/zinc/67/32/16/600673216.db2.gz WDFPBPYRKQXHMY-UHFFFAOYSA-N -1 1 380.219 2.929 20 30 GFEDMM COc1cc(C#N)ccc1OCCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000737843973 600713555 /nfs/dbraw/zinc/71/35/55/600713555.db2.gz CYAUVLZFSGQKMC-MRXNPFEDSA-N -1 1 395.459 2.855 20 30 GFEDMM O=C([O-])CCC1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000833224523 601843760 /nfs/dbraw/zinc/84/37/60/601843760.db2.gz VOGXEOJLGXUSRR-UHFFFAOYSA-N -1 1 396.409 2.750 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC([C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000740131601 602450367 /nfs/dbraw/zinc/45/03/67/602450367.db2.gz XOKCEJURFHNMSR-IAGOWNOFSA-N -1 1 386.496 2.998 20 30 GFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000830004812 604182898 /nfs/dbraw/zinc/18/28/98/604182898.db2.gz SUYIOFXGLWKIEB-ROUUACIJSA-N -1 1 386.496 2.918 20 30 GFEDMM N#C[C@H](C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000831066096 604225879 /nfs/dbraw/zinc/22/58/79/604225879.db2.gz VCKHSPMAEVJLBJ-VXGBXAGGSA-N -1 1 392.362 2.767 20 30 GFEDMM C=CCn1c(CCN2CCCCC2)nn(CN2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000825710863 604977715 /nfs/dbraw/zinc/97/77/15/604977715.db2.gz FCUXNHOQTKJRMZ-MRXNPFEDSA-N -1 1 393.557 2.525 20 30 GFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833366376 605166554 /nfs/dbraw/zinc/16/65/54/605166554.db2.gz ULWQGIFGPQDBBL-UHFFFAOYSA-N -1 1 383.784 2.990 20 30 GFEDMM N#CC1(NC(=O)Cc2ccccc2NC(=O)[O-])CCN(Cc2ccccc2)CC1 ZINC000833963194 605415835 /nfs/dbraw/zinc/41/58/35/605415835.db2.gz IMGRODNLMLKJHO-UHFFFAOYSA-N -1 1 392.459 2.994 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)o1 ZINC000819782997 606370458 /nfs/dbraw/zinc/37/04/58/606370458.db2.gz SGQBBEYOGRHFLX-LBPRGKRZSA-N -1 1 390.448 2.741 20 30 GFEDMM CCOC(=O)c1[nH]c2c(c1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC000821337421 606388561 /nfs/dbraw/zinc/38/85/61/606388561.db2.gz GLNKWXQBOZAYSA-CSKARUKUSA-N -1 1 383.433 2.954 20 30 GFEDMM CCS(=O)(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821440946 606390283 /nfs/dbraw/zinc/39/02/83/606390283.db2.gz FFFQMGASJNSDTA-CLFYSBASSA-N -1 1 389.462 2.586 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc3c(cnn3C(C)C)c2)o1 ZINC000824280565 607886607 /nfs/dbraw/zinc/88/66/07/607886607.db2.gz OTZGEZBZGRDABX-UHFFFAOYSA-N -1 1 394.443 2.825 20 30 GFEDMM COC(=O)COc1c(C)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C ZINC000826138363 608091892 /nfs/dbraw/zinc/09/18/92/608091892.db2.gz REORSCMRWHEFDH-PLNGDYQASA-N -1 1 398.444 2.993 20 30 GFEDMM COC(=O)COc1c(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000826138363 608091893 /nfs/dbraw/zinc/09/18/93/608091893.db2.gz REORSCMRWHEFDH-PLNGDYQASA-N -1 1 398.444 2.993 20 30 GFEDMM COCCc1nc(C)c(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)s1 ZINC000826163402 608882313 /nfs/dbraw/zinc/88/23/13/608882313.db2.gz SMSQMIUYDKPQAF-UHFFFAOYSA-N -1 1 390.473 2.768 20 30 GFEDMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055579678 654778067 /nfs/dbraw/zinc/77/80/67/654778067.db2.gz GESGHXPFNHBIKZ-UHFFFAOYSA-N -1 1 384.866 2.806 20 30 GFEDMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000120687456 655342465 /nfs/dbraw/zinc/34/24/65/655342465.db2.gz SRPMSZBQCCTDIG-UHFFFAOYSA-N -1 1 384.866 2.806 20 30 GFEDMM C#CCN1C(=O)C(=N[N-]c2cncc(Cl)n2)c2cc(Br)ccc21 ZINC000747046693 655770724 /nfs/dbraw/zinc/77/07/24/655770724.db2.gz GIMYRKPGHJFGRZ-UHFFFAOYSA-N -1 1 390.628 2.689 20 30 GFEDMM N#Cc1ccsc1NC(=O)COC(=O)c1ccc(Br)c([O-])c1 ZINC000750549576 655814946 /nfs/dbraw/zinc/81/49/46/655814946.db2.gz BWWZFTDRBAMGHH-UHFFFAOYSA-N -1 1 381.207 2.883 20 30 GFEDMM COc1cc(C=NNc2ccc(Br)cn2)ccc1OCC(=O)[O-] ZINC000755689095 655887329 /nfs/dbraw/zinc/88/73/29/655887329.db2.gz KOHLTBINBZXXLB-UHFFFAOYSA-N -1 1 380.198 2.762 20 30 GFEDMM N#Cc1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])ccc1F ZINC000766199475 656164639 /nfs/dbraw/zinc/16/46/39/656164639.db2.gz CZBSTCOEPFOIGL-UHFFFAOYSA-N -1 1 385.214 2.644 20 30 GFEDMM COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)s1 ZINC000788063128 657642486 /nfs/dbraw/zinc/64/24/86/657642486.db2.gz QOWHSECPHOUSHQ-UHFFFAOYSA-N -1 1 399.881 2.972 20 30 GFEDMM Cc1c(Br)c(C)n([N-]C(=O)c2ccc(F)cc2F)c(=O)c1C#N ZINC000791173371 658065916 /nfs/dbraw/zinc/06/59/16/658065916.db2.gz RKWBVJMHCIIVCB-UHFFFAOYSA-N -1 1 382.164 2.761 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC000795969565 658877815 /nfs/dbraw/zinc/87/78/15/658877815.db2.gz DMWOJNBPTRFRHW-BMIGLBTASA-N -1 1 391.848 2.525 20 30 GFEDMM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccoc1CC(N)=O ZINC000796792673 658939355 /nfs/dbraw/zinc/93/93/55/658939355.db2.gz LHRRIFGHLDXSNC-LBPRGKRZSA-N -1 1 380.187 2.575 20 30 GFEDMM CO[C@@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(F)(F)F ZINC000813666095 660059458 /nfs/dbraw/zinc/05/94/58/660059458.db2.gz HLKBBLWXTPWBCF-QMMMGPOBSA-N -1 1 385.257 2.580 20 30 GFEDMM COCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000814865696 660097606 /nfs/dbraw/zinc/09/76/06/660097606.db2.gz WTLXMFJVLWFPNQ-UHFFFAOYSA-N -1 1 383.813 2.577 20 30 GFEDMM CCc1nc(SCCCC(=O)ONC(=N)c2cccs2)[n-]c(=O)c1C ZINC000849920936 661752117 /nfs/dbraw/zinc/75/21/17/661752117.db2.gz HZHWFYPUZFZVFM-UHFFFAOYSA-N -1 1 380.495 2.851 20 30 GFEDMM CCCCn1nc(C)c(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1Cl ZINC000914600111 664412676 /nfs/dbraw/zinc/41/26/76/664412676.db2.gz NYRFJPDWATTZQS-UHFFFAOYSA-N -1 1 379.873 2.718 20 30 GFEDMM N#Cc1ccccc1N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000101671679 551197353 /nfs/dbraw/zinc/19/73/53/551197353.db2.gz MLWHHIVCEFMVOG-UHFFFAOYSA-N -1 1 386.249 2.989 20 30 GFEDMM C[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H]1CCCOC1 ZINC000451383258 564307698 /nfs/dbraw/zinc/30/76/98/564307698.db2.gz KMBYDIJTDIRBFT-VHSXEESVSA-N -1 1 391.262 2.553 20 30 GFEDMM CN(CC(F)(F)F)C(=O)C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000298581155 563361145 /nfs/dbraw/zinc/36/11/45/563361145.db2.gz JOYKQGCPLXVODB-VIFPVBQESA-N -1 1 378.219 2.705 20 30 GFEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)C1CCC(C)(C)CC1 ZINC000329881929 563490118 /nfs/dbraw/zinc/49/01/18/563490118.db2.gz PELHRRTVHQASHK-UHFFFAOYSA-N -1 1 375.516 2.608 20 30 GFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1C(N)=O ZINC000432761827 563592526 /nfs/dbraw/zinc/59/25/26/563592526.db2.gz BKGLBHMJDAOVOI-UHFFFAOYSA-N -1 1 394.250 2.529 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1Br ZINC000432773618 563592839 /nfs/dbraw/zinc/59/28/39/563592839.db2.gz IDQLELNICVMLGP-UHFFFAOYSA-N -1 1 381.207 2.850 20 30 GFEDMM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccc(C)o1 ZINC000433865298 563622009 /nfs/dbraw/zinc/62/20/09/563622009.db2.gz PTVNDQYUAYCORD-AWEZNQCLSA-N -1 1 399.266 2.888 20 30 GFEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(I)ccc1[O-] ZINC000437476919 563695886 /nfs/dbraw/zinc/69/58/86/563695886.db2.gz SIMQMPQXZBZNOS-IINYFYTJSA-N -1 1 387.217 2.708 20 30 GFEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000416534266 563844661 /nfs/dbraw/zinc/84/46/61/563844661.db2.gz WEVXROUDFYKJEI-UHFFFAOYSA-N -1 1 376.232 2.575 20 30 GFEDMM COC1([C@H](C)[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1 ZINC000416615591 563853608 /nfs/dbraw/zinc/85/36/08/563853608.db2.gz KECJULJDWZPPLJ-VIFPVBQESA-N -1 1 391.262 2.696 20 30 GFEDMM C=CCCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451424060 564312470 /nfs/dbraw/zinc/31/24/70/564312470.db2.gz WSAQKLCFRHWBJA-UHFFFAOYSA-N -1 1 378.491 2.612 20 30 GFEDMM C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451472703 564317291 /nfs/dbraw/zinc/31/72/91/564317291.db2.gz LNVQTOGXMOOKAS-CQSZACIVSA-N -1 1 390.502 2.707 20 30 GFEDMM CC[C@@H](C#N)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000479145053 564427871 /nfs/dbraw/zinc/42/78/71/564427871.db2.gz BECFVNNLFVHYBR-YFKPBYRVSA-N -1 1 394.634 2.530 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000548560073 564560345 /nfs/dbraw/zinc/56/03/45/564560345.db2.gz YSYZTMZGYQIFBU-CYBMUJFWSA-N -1 1 386.763 2.594 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Br)c(F)c2)o1 ZINC000553857185 564740612 /nfs/dbraw/zinc/74/06/12/564740612.db2.gz SIOAFEVIFATOGO-GXFFZTMASA-N -1 1 385.214 2.887 20 30 GFEDMM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)[C@H](O)C(F)(F)F ZINC000553870820 564742368 /nfs/dbraw/zinc/74/23/68/564742368.db2.gz ZIGUMOWIPUKCLX-XVKPBYJWSA-N -1 1 399.284 2.704 20 30 GFEDMM N#Cc1cccc(CCNC(=O)c2ccc(I)c([O-])c2)c1 ZINC000554585095 564767795 /nfs/dbraw/zinc/76/77/95/564767795.db2.gz YDZZYRUBVWEEAG-UHFFFAOYSA-N -1 1 392.196 2.841 20 30 GFEDMM N#Cc1ccc(Cn2cnc([N-]C(=O)c3ncsc3Br)n2)cc1 ZINC000583894649 564911694 /nfs/dbraw/zinc/91/16/94/564911694.db2.gz CYSFUXUHIWCQQH-UHFFFAOYSA-N -1 1 389.238 2.669 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)c(F)cc2Br)o1 ZINC000561545321 565001056 /nfs/dbraw/zinc/00/10/56/565001056.db2.gz VNUHNWPNFJIMFS-UHFFFAOYSA-N -1 1 377.166 2.670 20 30 GFEDMM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)no1 ZINC000589308407 565160397 /nfs/dbraw/zinc/16/03/97/565160397.db2.gz YOWVIZONVZZISZ-SNVBAGLBSA-N -1 1 384.845 2.559 20 30 GFEDMM COCCN(CCC#N)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000589835941 565171374 /nfs/dbraw/zinc/17/13/74/565171374.db2.gz UBJYSGCIJCGCGR-UHFFFAOYSA-N -1 1 378.226 2.705 20 30 GFEDMM CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1O ZINC000591330486 565224461 /nfs/dbraw/zinc/22/44/61/565224461.db2.gz XOVVTONMHSCICB-HIFRSBDPSA-N -1 1 398.893 2.825 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)c1 ZINC000617626813 565249018 /nfs/dbraw/zinc/24/90/18/565249018.db2.gz ISERWRUBSMKOLY-AWEZNQCLSA-N -1 1 389.249 2.607 20 30 GFEDMM COCCOc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc1 ZINC000737011492 598419582 /nfs/dbraw/zinc/41/95/82/598419582.db2.gz UUEICKPPUKJHLA-UHFFFAOYSA-N -1 1 385.428 2.524 20 30 GFEDMM Cn1cc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)cc1C(=O)[O-] ZINC000833055497 600810122 /nfs/dbraw/zinc/81/01/22/600810122.db2.gz ICLQFQOWGQTJCI-UHFFFAOYSA-N -1 1 386.454 2.985 20 30 GFEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000833074254 601310839 /nfs/dbraw/zinc/31/08/39/601310839.db2.gz STVPSKLNNWUODW-LJQANCHMSA-N -1 1 381.407 2.671 20 30 GFEDMM COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000832618320 601841833 /nfs/dbraw/zinc/84/18/33/601841833.db2.gz RQAYCSQPKLWOJV-INIZCTEOSA-N -1 1 387.480 2.907 20 30 GFEDMM C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823724237 603627930 /nfs/dbraw/zinc/62/79/30/603627930.db2.gz PAAXNWBBDOIZKW-LLVKDONJSA-N -1 1 378.498 2.661 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1 ZINC000830342204 604257076 /nfs/dbraw/zinc/25/70/76/604257076.db2.gz WIAJHUJGWPHWNR-SQNIBIBYSA-N -1 1 386.496 2.998 20 30 GFEDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000833625439 605100769 /nfs/dbraw/zinc/10/07/69/605100769.db2.gz LRSKYXUPYCSUIF-MRXNPFEDSA-N -1 1 393.443 2.972 20 30 GFEDMM CC(N=Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1OCC(=O)[O-] ZINC000833386969 605330340 /nfs/dbraw/zinc/33/03/40/605330340.db2.gz GRUYVIJONFGLBM-UHFFFAOYSA-N -1 1 398.387 2.982 20 30 GFEDMM N#CC(C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000833961816 605488551 /nfs/dbraw/zinc/48/85/51/605488551.db2.gz VFHNLPJZSCCCLM-ZYHUDNBSSA-N -1 1 381.791 2.907 20 30 GFEDMM Cn1cc(C#N)cc1C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822665211 606257427 /nfs/dbraw/zinc/25/74/27/606257427.db2.gz KTTVVTVZAGAGEI-UHFFFAOYSA-N -1 1 389.444 2.735 20 30 GFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1c(F)cccc1N1CCOCC1 ZINC000822922988 606978050 /nfs/dbraw/zinc/97/80/50/606978050.db2.gz LXEOCISOXWPAIX-GQCTYLIASA-N -1 1 385.424 2.800 20 30 GFEDMM C=CCn1c(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)nnc1-c1ccccn1 ZINC000819765273 607036021 /nfs/dbraw/zinc/03/60/21/607036021.db2.gz NEHLBJWPJOJVBU-UHFFFAOYSA-N -1 1 397.855 2.906 20 30 GFEDMM C=CCn1c(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)nnc1-c1ccccn1 ZINC000819765273 607036023 /nfs/dbraw/zinc/03/60/23/607036023.db2.gz NEHLBJWPJOJVBU-UHFFFAOYSA-N -1 1 397.855 2.906 20 30 GFEDMM Cc1ncc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)n1-c1ccccc1 ZINC000826329878 607887091 /nfs/dbraw/zinc/88/70/91/607887091.db2.gz WDAGNJNATRUWHD-UHFFFAOYSA-N -1 1 391.439 2.993 20 30 GFEDMM C=CCn1c(Cc2ccccc2)nnc1Sc1cccc(-c2nnn[n-]2)n1 ZINC000823937184 607895984 /nfs/dbraw/zinc/89/59/84/607895984.db2.gz LMFQACHBUFHRAW-UHFFFAOYSA-N -1 1 376.449 2.781 20 30 GFEDMM C=CCn1c(Cc2ccccc2)nnc1Sc1cccc(-c2nn[n-]n2)n1 ZINC000823937184 607895985 /nfs/dbraw/zinc/89/59/85/607895985.db2.gz LMFQACHBUFHRAW-UHFFFAOYSA-N -1 1 376.449 2.781 20 30 GFEDMM CC(=O)N(c1nc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cs1)C1CC1 ZINC000823967553 608092450 /nfs/dbraw/zinc/09/24/50/608092450.db2.gz NWXOQWUNUMCRQZ-GORDUTHDSA-N -1 1 386.462 2.796 20 30 GFEDMM CC(=O)N(c1nc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cs1)C1CC1 ZINC000823967553 608092451 /nfs/dbraw/zinc/09/24/51/608092451.db2.gz NWXOQWUNUMCRQZ-GORDUTHDSA-N -1 1 386.462 2.796 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccn(-c3ccccc3)n2)o1 ZINC000824280013 608317874 /nfs/dbraw/zinc/31/78/74/608317874.db2.gz ARUGEKJNGRFXFC-UHFFFAOYSA-N -1 1 377.412 2.685 20 30 GFEDMM C[C@H]1CCC[C@H](OCCCCCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1 ZINC000824927586 608385576 /nfs/dbraw/zinc/38/55/76/608385576.db2.gz PRHOLZUHBBLQQX-STQMWFEESA-N -1 1 386.460 2.556 20 30 GFEDMM C=CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1cccc(C)c1 ZINC000823937393 608392979 /nfs/dbraw/zinc/39/29/79/608392979.db2.gz VUVCZUFXLZSLBY-UHFFFAOYSA-N -1 1 377.437 2.561 20 30 GFEDMM C=CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1cccc(C)c1 ZINC000823937393 608392981 /nfs/dbraw/zinc/39/29/81/608392981.db2.gz VUVCZUFXLZSLBY-UHFFFAOYSA-N -1 1 377.437 2.561 20 30 GFEDMM Cc1ccc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)cc1Br ZINC000826286609 608474059 /nfs/dbraw/zinc/47/40/59/608474059.db2.gz JDKPQFYDPYUOSS-UHFFFAOYSA-N -1 1 387.241 2.598 20 30 GFEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1C#N ZINC000826234052 609165311 /nfs/dbraw/zinc/16/53/11/609165311.db2.gz GLHCUSVHUYUMII-UHFFFAOYSA-N -1 1 384.403 2.793 20 30 GFEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1C#N ZINC000826234052 609165312 /nfs/dbraw/zinc/16/53/12/609165312.db2.gz GLHCUSVHUYUMII-UHFFFAOYSA-N -1 1 384.403 2.793 20 30 GFEDMM COc1ccc2[nH]c3c(c2c1)CC(N=Nc1oc(C)nc1-c1nn[n-]n1)CC3 ZINC000826212225 609449235 /nfs/dbraw/zinc/44/92/35/609449235.db2.gz KMBBJUGEYMGQKL-UHFFFAOYSA-N -1 1 378.396 2.610 20 30 GFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)N(C)C[C@@H](C)c2nn[n-]n2)s1 ZINC000819493428 660260183 /nfs/dbraw/zinc/26/01/83/660260183.db2.gz HWKHHIREFBYVOA-MRVPVSSYSA-N -1 1 386.934 2.614 20 30 GFEDMM Cc1nc2c(s1)C(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000730946716 655579472 /nfs/dbraw/zinc/57/94/72/655579472.db2.gz JYJCFYGBWFCLFY-UHFFFAOYSA-N -1 1 380.451 2.520 20 30 GFEDMM CC1=C(C(=O)C=Cc2ccc([O-])c(Br)c2)[C@H](C)N2NN=NC2=N1 ZINC000752882533 655847666 /nfs/dbraw/zinc/84/76/66/655847666.db2.gz MXDGQOJKMRSMJO-RNEXMXFGSA-N -1 1 376.214 2.957 20 30 GFEDMM COc1ccc(NC(=S)NN=Cc2cc(O)c([O-])c(Br)c2)cn1 ZINC000757575724 655913360 /nfs/dbraw/zinc/91/33/60/655913360.db2.gz PYRIOVXQKKVWRJ-UHFFFAOYSA-N -1 1 397.254 2.584 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c(F)c1 ZINC000766199864 656164599 /nfs/dbraw/zinc/16/45/99/656164599.db2.gz KHIZYFZZXVHLIJ-UHFFFAOYSA-N -1 1 385.214 2.644 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2[N+](=O)[O-])c(=O)o1 ZINC000767717561 656216772 /nfs/dbraw/zinc/21/67/72/656216772.db2.gz BDTAKYJJWUKXBP-KQIUPUNMSA-N -1 1 380.150 2.586 20 30 GFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)[C@H]1CCCO1 ZINC000773059451 656397976 /nfs/dbraw/zinc/39/79/76/656397976.db2.gz WYERPEGKIBFDKQ-JGVFFNPUSA-N -1 1 384.704 2.623 20 30 GFEDMM C=CCOCCC[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000849459718 661729503 /nfs/dbraw/zinc/72/95/03/661729503.db2.gz ZJKSFCNMCUWWFV-UHFFFAOYSA-N -1 1 379.837 2.527 20 30 GFEDMM N#CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(Br)c1)C(F)(F)F ZINC000901771446 663745486 /nfs/dbraw/zinc/74/54/86/663745486.db2.gz FABXNHCBJSRHPK-VIFPVBQESA-N -1 1 375.141 2.711 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)cc1Cl ZINC000917744619 664489825 /nfs/dbraw/zinc/48/98/25/664489825.db2.gz YLBORWFHOJESCR-UHFFFAOYSA-N -1 1 376.825 2.542 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCCCO2)cc1Br ZINC000331321629 563545762 /nfs/dbraw/zinc/54/57/62/563545762.db2.gz KYBFMVQPLUFIBR-LLVKDONJSA-N -1 1 391.262 2.697 20 30 GFEDMM N#Cc1ccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1[O-] ZINC000190737168 552507570 /nfs/dbraw/zinc/50/75/70/552507570.db2.gz WKYKNPJOLITPRZ-UHFFFAOYSA-N -1 1 377.231 2.928 20 30 GFEDMM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C ZINC000427308857 563465593 /nfs/dbraw/zinc/46/55/93/563465593.db2.gz PXYYOAMSBMNOQX-UHFFFAOYSA-N -1 1 382.438 2.519 20 30 GFEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)C(C)(C)C1CCCC1 ZINC000329880861 563489949 /nfs/dbraw/zinc/48/99/49/563489949.db2.gz NXGLWIOKETVUAV-UHFFFAOYSA-N -1 1 375.516 2.608 20 30 GFEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432769799 563592583 /nfs/dbraw/zinc/59/25/83/563592583.db2.gz PSAYJZPRBRTNIO-UHFFFAOYSA-N -1 1 395.234 2.908 20 30 GFEDMM C[C@@H](NC(=O)C(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(F)(F)F ZINC000411531916 563622319 /nfs/dbraw/zinc/62/23/19/563622319.db2.gz YPAXBEJWHQCCNZ-ANLVUFKYSA-N -1 1 378.219 2.751 20 30 GFEDMM N#Cc1ccc(C(=O)NCc2cc(Br)c3c(c2)OCCO3)cc1[O-] ZINC000442942729 563785224 /nfs/dbraw/zinc/78/52/24/563785224.db2.gz LETPGZQEQJWEON-UHFFFAOYSA-N -1 1 389.205 2.728 20 30 GFEDMM Cc1cc(Br)cn2cc(CNC(=O)c3ccc(C#N)c([O-])c3)nc12 ZINC000443106920 563792820 /nfs/dbraw/zinc/79/28/20/563792820.db2.gz FSXDVJBBJGKWFV-UHFFFAOYSA-N -1 1 385.221 2.913 20 30 GFEDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CS1 ZINC000416599936 563852053 /nfs/dbraw/zinc/85/20/53/563852053.db2.gz VASQRXJFBLLWIF-APPZFPTMSA-N -1 1 379.276 2.632 20 30 GFEDMM CCc1[n-][nH]c(=NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)c1Br ZINC000506700743 564210002 /nfs/dbraw/zinc/21/00/02/564210002.db2.gz FILPQZSRFVNRDQ-UHFFFAOYSA-N -1 1 399.252 2.775 20 30 GFEDMM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000564262287 564226437 /nfs/dbraw/zinc/22/64/37/564226437.db2.gz JLODOVKLSYKUSU-UHFFFAOYSA-N -1 1 388.218 2.543 20 30 GFEDMM N#CCc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)c(Cl)c1 ZINC000450989663 564259830 /nfs/dbraw/zinc/25/98/30/564259830.db2.gz GJWHUBAREVQLOL-UHFFFAOYSA-N -1 1 382.791 2.796 20 30 GFEDMM C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451154455 564280672 /nfs/dbraw/zinc/28/06/72/564280672.db2.gz LFORHBVOXUIEAA-ONGXEEELSA-N -1 1 391.262 2.696 20 30 GFEDMM C=CCOc1cccc([N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)c1 ZINC000451367753 564305593 /nfs/dbraw/zinc/30/55/93/564305593.db2.gz MXWZVQWLZJCLHB-CYBMUJFWSA-N -1 1 381.372 2.877 20 30 GFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(I)c1 ZINC000566909306 564348685 /nfs/dbraw/zinc/34/86/85/564348685.db2.gz XFZVFPQUOMYORI-QMMMGPOBSA-N -1 1 384.626 2.988 20 30 GFEDMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)s1 ZINC000486499195 564653858 /nfs/dbraw/zinc/65/38/58/564653858.db2.gz PCZVRAFIUUEBLI-UHFFFAOYSA-N -1 1 383.882 2.753 20 30 GFEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1NC(N)=O ZINC000487388876 564686146 /nfs/dbraw/zinc/68/61/46/564686146.db2.gz CFMBPFQUTJDTAJ-UHFFFAOYSA-N -1 1 380.813 2.512 20 30 GFEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc([S@@](C)=O)cc1 ZINC000534408218 564988257 /nfs/dbraw/zinc/98/82/57/564988257.db2.gz RHVCNWVKVAYJLB-CCGUKBGLSA-N -1 1 384.429 2.613 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)NCc2cc3c(c(Br)c2)OCO3)c1 ZINC000614297775 565105950 /nfs/dbraw/zinc/10/59/50/565105950.db2.gz ANBKFFHLGPHXFH-UHFFFAOYSA-N -1 1 375.178 2.685 20 30 GFEDMM CC(C)c1cc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)on1 ZINC000588115463 565125800 /nfs/dbraw/zinc/12/58/00/565125800.db2.gz CZSJLCOJBDWUOV-UHFFFAOYSA-N -1 1 384.255 2.911 20 30 GFEDMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1cccs1 ZINC000593541925 565339251 /nfs/dbraw/zinc/33/92/51/565339251.db2.gz QJDJRRVYPINQDS-OAHLLOKOSA-N -1 1 378.475 2.742 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594464800 565390275 /nfs/dbraw/zinc/39/02/75/565390275.db2.gz ZFFHFYZUWMMMBV-BONVTDFDSA-N -1 1 391.848 2.525 20 30 GFEDMM C[C@@H](C#N)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000609919691 566059101 /nfs/dbraw/zinc/05/91/01/566059101.db2.gz AVUUHGZPDISWMD-JTQLQIEISA-N -1 1 379.825 2.945 20 30 GFEDMM C#CCN(CC#CC)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735374400 599227421 /nfs/dbraw/zinc/22/74/21/599227421.db2.gz IDUORBPWCXIGEA-UHFFFAOYSA-N -1 1 389.390 2.897 20 30 GFEDMM C#CCN(CC#CC)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735374400 599227424 /nfs/dbraw/zinc/22/74/24/599227424.db2.gz IDUORBPWCXIGEA-UHFFFAOYSA-N -1 1 389.390 2.897 20 30 GFEDMM COC(=O)c1ccc2[nH]cc(CN=Nc3oc(C(C)C)nc3-c3nn[n-]n3)c2c1 ZINC000736949835 598638910 /nfs/dbraw/zinc/63/89/10/598638910.db2.gz UEODLDZGCDGOGH-UHFFFAOYSA-N -1 1 394.395 2.692 20 30 GFEDMM N#Cc1ccc(F)c(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)c1 ZINC000737719805 598721143 /nfs/dbraw/zinc/72/11/43/598721143.db2.gz XQFADVPGOMLIAY-UHFFFAOYSA-N -1 1 380.770 2.894 20 30 GFEDMM C#Cc1ccc(C(=O)Nc2ccc(Oc3ncccc3-c3nn[n-]n3)cc2C)nc1 ZINC000735390310 598735525 /nfs/dbraw/zinc/73/55/25/598735525.db2.gz XHCOJLCTRLDGMF-UHFFFAOYSA-N -1 1 397.398 2.991 20 30 GFEDMM COc1ccc(C#N)cc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000821769204 607379860 /nfs/dbraw/zinc/37/98/60/607379860.db2.gz FHMPXSQIFJSLSI-UHFFFAOYSA-N -1 1 392.806 2.764 20 30 GFEDMM CCOc1ccc(CN2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000737205300 600563414 /nfs/dbraw/zinc/56/34/14/600563414.db2.gz IDRBUCRYXGPTPX-OAQYLSRUSA-N -1 1 379.460 2.900 20 30 GFEDMM COc1ccc(OC)c(CN2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832436317 601309613 /nfs/dbraw/zinc/30/96/13/601309613.db2.gz SZUQVHRXLMJEKX-NRFANRHFSA-N -1 1 395.459 2.519 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC[C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 ZINC000826323053 607531167 /nfs/dbraw/zinc/53/11/67/607531167.db2.gz NTIQXKURTGBOFM-NSHDSACASA-N -1 1 378.437 2.500 20 30 GFEDMM C[C@H](NC(=O)[O-])C1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000739029732 602447753 /nfs/dbraw/zinc/44/77/53/602447753.db2.gz WYMSNJKDYDRDBB-XJKSGUPXSA-N -1 1 393.447 2.592 20 30 GFEDMM COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(CNC(=O)[O-])o2)cc1Cl ZINC000829441825 604221878 /nfs/dbraw/zinc/22/18/78/604221878.db2.gz IPKDQFKPIIJUAO-LLVKDONJSA-N -1 1 391.767 2.670 20 30 GFEDMM CC(=NN=c1nc[nH]c2sc(-c3ccccc3)cc21)c1cn(CC(=O)[O-])nn1 ZINC000825808703 604783941 /nfs/dbraw/zinc/78/39/41/604783941.db2.gz AAYFNCLNCKDQCD-UHFFFAOYSA-N -1 1 393.432 2.871 20 30 GFEDMM CC(C)Oc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1C#N ZINC000827058603 605009628 /nfs/dbraw/zinc/00/96/28/605009628.db2.gz MOTGOBRBTOLSOG-UHFFFAOYSA-N -1 1 395.824 2.893 20 30 GFEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833367140 605166683 /nfs/dbraw/zinc/16/66/83/605166683.db2.gz PXHTTWLIBBRNTK-UHFFFAOYSA-N -1 1 383.784 2.990 20 30 GFEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000779844453 605597451 /nfs/dbraw/zinc/59/74/51/605597451.db2.gz JZGSIOAIQNQIBR-SECBINFHSA-N -1 1 382.344 2.755 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2nc3cc(C(F)(F)F)ccc3n2C)o1 ZINC000822422896 607146868 /nfs/dbraw/zinc/14/68/68/607146868.db2.gz FWYMZRJZIIOVAN-UHFFFAOYSA-N -1 1 391.317 2.515 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc3ccc(Br)cc3n2)o1 ZINC000826322891 608218859 /nfs/dbraw/zinc/21/88/59/608218859.db2.gz GBCWALIOAMSKTQ-UHFFFAOYSA-N -1 1 399.212 2.920 20 30 GFEDMM C=CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccc(Cl)cc1 ZINC000823937150 608392664 /nfs/dbraw/zinc/39/26/64/608392664.db2.gz KENMUFMGAFQLNN-UHFFFAOYSA-N -1 1 397.855 2.906 20 30 GFEDMM C=CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccc(Cl)cc1 ZINC000823937150 608392666 /nfs/dbraw/zinc/39/26/66/608392666.db2.gz KENMUFMGAFQLNN-UHFFFAOYSA-N -1 1 397.855 2.906 20 30 GFEDMM C#CCCCCCC(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000823842247 609133516 /nfs/dbraw/zinc/13/35/16/609133516.db2.gz ZPUYQGUMNNXQDJ-UHFFFAOYSA-N -1 1 378.436 2.988 20 30 GFEDMM Fc1ccc(C#CCNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000826373777 609281053 /nfs/dbraw/zinc/28/10/53/609281053.db2.gz ZAAGATYEQBPJAJ-UHFFFAOYSA-N -1 1 377.358 2.794 20 30 GFEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Br)cnc2Cl)CCCC1 ZINC000845965970 661510426 /nfs/dbraw/zinc/51/04/26/661510426.db2.gz XIGYIPWFZFWBEJ-UHFFFAOYSA-N -1 1 378.679 2.860 20 30 GFEDMM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055574903 654777737 /nfs/dbraw/zinc/77/77/37/654777737.db2.gz ATMTUMUJNQEMOB-UHFFFAOYSA-N -1 1 384.866 2.724 20 30 GFEDMM CNS(=O)(=O)c1ccc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)o1 ZINC000066856168 654918503 /nfs/dbraw/zinc/91/85/03/654918503.db2.gz JRIYNVPWNMLZKC-LLVKDONJSA-N -1 1 379.463 2.834 20 30 GFEDMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc21 ZINC000117535019 655265397 /nfs/dbraw/zinc/26/53/97/655265397.db2.gz VBIIPECBJIEFNS-UHFFFAOYSA-N -1 1 375.837 2.921 20 30 GFEDMM C[C@@H](NC(=O)C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000299475436 655376449 /nfs/dbraw/zinc/37/64/49/655376449.db2.gz YXNHBXDGRNBPKJ-ANLVUFKYSA-N -1 1 378.219 2.751 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=CC2=Cc3cc(Br)ccc3OC2)c(=O)o1 ZINC000194571325 655416280 /nfs/dbraw/zinc/41/62/80/655416280.db2.gz LMCLAMAMYNMRTO-WVMJFEGXSA-N -1 1 389.201 2.996 20 30 GFEDMM COc1ccc(Br)c(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC000747753508 655783037 /nfs/dbraw/zinc/78/30/37/655783037.db2.gz QMATYLRPRMNSMU-UHFFFAOYSA-N -1 1 394.250 2.530 20 30 GFEDMM [O-]c1c(Br)cc(O)cc1C=NNC(=S)NCc1ccccc1 ZINC000755504300 655884672 /nfs/dbraw/zinc/88/46/72/655884672.db2.gz AMOQYFUAOLXYRC-UHFFFAOYSA-N -1 1 380.267 2.859 20 30 GFEDMM Cc1cc(Br)ccc1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000759193942 655950253 /nfs/dbraw/zinc/95/02/53/655950253.db2.gz WPPZLNJNXHPNFE-UHFFFAOYSA-N -1 1 378.251 2.830 20 30 GFEDMM N#Cc1c(F)ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1Cl ZINC000761809888 656021807 /nfs/dbraw/zinc/02/18/07/656021807.db2.gz KBEZCCOWRIZUBV-UHFFFAOYSA-N -1 1 382.760 2.571 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Br)cc2[N+](=O)[O-])c(=O)o1 ZINC000767717563 656216617 /nfs/dbraw/zinc/21/66/17/656216617.db2.gz BDTAKYJJWUKXBP-MFBWXBCUSA-N -1 1 380.150 2.586 20 30 GFEDMM N#Cc1cnn2c1[nH]c(COC(=O)c1ccc(Cl)c(Cl)c1[O-])cc2=O ZINC000783534183 657238050 /nfs/dbraw/zinc/23/80/50/657238050.db2.gz XDNGQBLDLLGYTJ-UHFFFAOYSA-N -1 1 379.159 2.676 20 30 GFEDMM Cc1cc(=O)[n-]c(NN=Cc2ncc(Br)cc2Br)n1 ZINC000783773859 657260207 /nfs/dbraw/zinc/26/02/07/657260207.db2.gz ZYLMRBMDQXCLDU-UHFFFAOYSA-N -1 1 387.035 2.857 20 30 GFEDMM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000841567114 661304209 /nfs/dbraw/zinc/30/42/09/661304209.db2.gz PIFSWHGUTMFWBS-CQSZACIVSA-N -1 1 398.326 2.957 20 30 GFEDMM COc1cc(Br)cc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)c1 ZINC000901773789 663745627 /nfs/dbraw/zinc/74/56/27/663745627.db2.gz XMXUKEDLEPOOBK-JTQLQIEISA-N -1 1 387.177 2.581 20 30 GFEDMM CC(C)(C#N)CS(=O)(=O)[N-]C[C@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000914150511 664379877 /nfs/dbraw/zinc/37/98/77/664379877.db2.gz VVRMTERTPUUTOO-ZDUSSCGKSA-N -1 1 384.807 2.559 20 30 GFEDMM CCc1cc(C#N)c([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)s1 ZINC000917878022 664491699 /nfs/dbraw/zinc/49/16/99/664491699.db2.gz IOCDEFSJDWJLQA-UHFFFAOYSA-N -1 1 379.463 2.812 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c1 ZINC000153972663 551464171 /nfs/dbraw/zinc/46/41/71/551464171.db2.gz XGFGNHQXRNYIKC-UHFFFAOYSA-N -1 1 394.206 2.556 20 30 GFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c(C)c1 ZINC000192129487 552552311 /nfs/dbraw/zinc/55/23/11/552552311.db2.gz LMXKTQLLBSMBJS-CQSZACIVSA-N -1 1 378.475 2.790 20 30 GFEDMM N#Cc1ccc(CNC(=O)c2cc(I)ccc2[O-])c(F)c1 ZINC000222948868 553055506 /nfs/dbraw/zinc/05/55/06/553055506.db2.gz LWUNJXGXSYREDW-UHFFFAOYSA-N -1 1 396.159 2.938 20 30 GFEDMM N#Cc1cccc(CNC(=O)c2ccc(I)c([O-])c2)c1 ZINC000230888082 553065468 /nfs/dbraw/zinc/06/54/68/553065468.db2.gz CKECOSAVIGADQL-UHFFFAOYSA-N -1 1 378.169 2.798 20 30 GFEDMM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000433611386 563616174 /nfs/dbraw/zinc/61/61/74/563616174.db2.gz BJOLANFMBLNTQT-UHFFFAOYSA-N -1 1 380.809 2.564 20 30 GFEDMM C=CC1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)cc2F)CC1 ZINC000451200656 564286603 /nfs/dbraw/zinc/28/66/03/564286603.db2.gz YSUUBIJJYLZLNX-UHFFFAOYSA-N -1 1 390.502 2.564 20 30 GFEDMM CC(C)(C)OCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000574129190 564669547 /nfs/dbraw/zinc/66/95/47/564669547.db2.gz BYWVEQBYFZRCAY-UHFFFAOYSA-N -1 1 379.251 2.553 20 30 GFEDMM CC[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)[C@@H](O)C(F)(F)F ZINC000489664209 564747632 /nfs/dbraw/zinc/74/76/32/564747632.db2.gz JDFSCLOTQYOFCE-QUBYGPBYSA-N -1 1 399.284 2.704 20 30 GFEDMM CO[C@H](CC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(F)(F)F ZINC000489800870 564753434 /nfs/dbraw/zinc/75/34/34/564753434.db2.gz YHWAWAVSBDRBGE-SECBINFHSA-N -1 1 399.284 2.970 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCCOC2)cc1Br ZINC000528452261 564786194 /nfs/dbraw/zinc/78/61/94/564786194.db2.gz UYCJSUVGWRWEKH-SNVBAGLBSA-N -1 1 391.262 2.555 20 30 GFEDMM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1cccc(Br)c1 ZINC000557823466 564878492 /nfs/dbraw/zinc/87/84/92/564878492.db2.gz GXDPIFYPCVPWFK-SNVBAGLBSA-N -1 1 385.239 2.660 20 30 GFEDMM COCC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)c1ccco1 ZINC000561529444 564999465 /nfs/dbraw/zinc/99/94/65/564999465.db2.gz AUVLGZLLLKVFIN-CYBMUJFWSA-N -1 1 399.266 2.970 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)c1 ZINC000614364147 565109808 /nfs/dbraw/zinc/10/98/08/565109808.db2.gz JFWWMNPILORDAM-UHFFFAOYSA-N -1 1 388.221 2.785 20 30 GFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000589597562 565168305 /nfs/dbraw/zinc/16/83/05/565168305.db2.gz MMEYWERUPVUVQK-AWEZNQCLSA-N -1 1 377.249 2.751 20 30 GFEDMM CCc1[n-][nH]c(=NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c1Br ZINC000619216514 565331767 /nfs/dbraw/zinc/33/17/67/565331767.db2.gz IWFDFCHIVJVXMZ-CQSZACIVSA-N -1 1 388.269 2.636 20 30 GFEDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC)C(F)(F)F ZINC000593589455 565345307 /nfs/dbraw/zinc/34/53/07/565345307.db2.gz UEIUFOGRTBKULW-RNCFNFMXSA-N -1 1 378.372 2.600 20 30 GFEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1F ZINC000594462020 565388770 /nfs/dbraw/zinc/38/87/70/565388770.db2.gz MJHXYRALGNDEFG-UHFFFAOYSA-N -1 1 388.848 2.874 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1Cl ZINC000594485677 565395005 /nfs/dbraw/zinc/39/50/05/565395005.db2.gz BNUCVCKUUYNRTH-GXFFZTMASA-N -1 1 382.791 2.990 20 30 GFEDMM C=CC[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCC)cc2F)C1 ZINC000625354636 565623404 /nfs/dbraw/zinc/62/34/04/565623404.db2.gz JYUFMWVDIRWFOB-CYBMUJFWSA-N -1 1 390.502 2.564 20 30 GFEDMM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000611113916 566114799 /nfs/dbraw/zinc/11/47/99/566114799.db2.gz QTPHOTHDVOUJSJ-JTQLQIEISA-N -1 1 376.232 2.574 20 30 GFEDMM CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736215240 598980139 /nfs/dbraw/zinc/98/01/39/598980139.db2.gz VHSCDXMWYUBWFP-UZYVYHOESA-N -1 1 393.476 2.786 20 30 GFEDMM CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736215240 598980140 /nfs/dbraw/zinc/98/01/40/598980140.db2.gz VHSCDXMWYUBWFP-UZYVYHOESA-N -1 1 393.476 2.786 20 30 GFEDMM N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)c1 ZINC000737731006 599003300 /nfs/dbraw/zinc/00/33/00/599003300.db2.gz VMCOYTICCFEXKS-UHFFFAOYSA-N -1 1 397.398 2.965 20 30 GFEDMM N#Cc1cccc(COc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)c1 ZINC000737731006 599003302 /nfs/dbraw/zinc/00/33/02/599003302.db2.gz VMCOYTICCFEXKS-UHFFFAOYSA-N -1 1 397.398 2.965 20 30 GFEDMM N#CC1(NC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CCC1 ZINC000737680215 598402572 /nfs/dbraw/zinc/40/25/72/598402572.db2.gz ZCHYUBHDBOWPEM-UHFFFAOYSA-N -1 1 378.367 2.974 20 30 GFEDMM N#CC1(NC(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)CCC1 ZINC000737680215 598402574 /nfs/dbraw/zinc/40/25/74/598402574.db2.gz ZCHYUBHDBOWPEM-UHFFFAOYSA-N -1 1 378.367 2.974 20 30 GFEDMM N#Cc1[n-]c(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)nc1-c1nn[nH]n1 ZINC000737704050 598529198 /nfs/dbraw/zinc/52/91/98/598529198.db2.gz CWOZRHOSVKEVKG-YUMQZZPRSA-N -1 1 389.206 2.510 20 30 GFEDMM Clc1ccc(CSc2nncn2N=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822573580 599335529 /nfs/dbraw/zinc/33/55/29/599335529.db2.gz BMXMTQQXSRPDDO-UHFFFAOYSA-N -1 1 386.828 2.879 20 30 GFEDMM Clc1ccc(CSc2nncn2N=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822573580 599335532 /nfs/dbraw/zinc/33/55/32/599335532.db2.gz BMXMTQQXSRPDDO-UHFFFAOYSA-N -1 1 386.828 2.879 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](CN(C)C(=O)[O-])C2)cc1 ZINC000740129350 601850711 /nfs/dbraw/zinc/85/07/11/601850711.db2.gz BZYQBVINCUQYQE-QZTJIDSGSA-N -1 1 386.496 2.952 20 30 GFEDMM CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC(C)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000823963258 607530261 /nfs/dbraw/zinc/53/02/61/607530261.db2.gz ZUFODLOQUNRQBS-UHFFFAOYSA-N -1 1 386.372 2.503 20 30 GFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000740067422 602770247 /nfs/dbraw/zinc/77/02/47/602770247.db2.gz RASICCDSJSKXGL-JENIJYKNSA-N -1 1 386.496 2.917 20 30 GFEDMM C=CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1ccncc1 ZINC000823888614 607615847 /nfs/dbraw/zinc/61/58/47/607615847.db2.gz RTZFFBQCONINLU-AWEZNQCLSA-N -1 1 390.856 2.511 20 30 GFEDMM Cc1cnn(-c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000833754368 605190989 /nfs/dbraw/zinc/19/09/89/605190989.db2.gz NEQDAGSFOZWHJQ-UHFFFAOYSA-N -1 1 382.401 2.551 20 30 GFEDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1Oc1ccccc1C#N ZINC000833626135 605302368 /nfs/dbraw/zinc/30/23/68/605302368.db2.gz OEMLUPIPTHTFOI-INIZCTEOSA-N -1 1 393.443 2.972 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cc1C(F)(F)F ZINC000435156074 606338953 /nfs/dbraw/zinc/33/89/53/606338953.db2.gz UWYWODAGCWFHTO-UHFFFAOYSA-N -1 1 394.338 2.558 20 30 GFEDMM CCOC(=O)COc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821334040 606390401 /nfs/dbraw/zinc/39/04/01/606390401.db2.gz FZBHAEOPKSYOMQ-VURMDHGXSA-N -1 1 384.417 2.766 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])o1 ZINC000826322950 607808036 /nfs/dbraw/zinc/80/80/36/607808036.db2.gz IQWQNJNMSJSJKO-NSHDSACASA-N -1 1 382.384 2.882 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc3c(cnn3C(C)C)c2)o1 ZINC000824352566 607887409 /nfs/dbraw/zinc/88/74/09/607887409.db2.gz IUPXGWSLJGOQFV-UHFFFAOYSA-N -1 1 380.416 2.750 20 30 GFEDMM COCC#CCOC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826147237 608104294 /nfs/dbraw/zinc/10/42/94/608104294.db2.gz QMDKVHQVJSQYSE-UHFFFAOYSA-N -1 1 382.351 2.605 20 30 GFEDMM COCC#CCOC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000826147237 608104295 /nfs/dbraw/zinc/10/42/95/608104295.db2.gz QMDKVHQVJSQYSE-UHFFFAOYSA-N -1 1 382.351 2.605 20 30 GFEDMM N#Cc1cccc(-c2c[nH]c(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)n2)c1 ZINC000826386824 608410140 /nfs/dbraw/zinc/41/01/40/608410140.db2.gz ULTAPUWZCGOEJN-UHFFFAOYSA-N -1 1 377.799 2.789 20 30 GFEDMM N#Cc1cccc(-c2c[nH]c(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)n2)c1 ZINC000826386824 608410142 /nfs/dbraw/zinc/41/01/42/608410142.db2.gz ULTAPUWZCGOEJN-UHFFFAOYSA-N -1 1 377.799 2.789 20 30 GFEDMM COc1ccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1C#N ZINC000826203760 609278646 /nfs/dbraw/zinc/27/86/46/609278646.db2.gz FFESDPKLZSSZKZ-UHFFFAOYSA-N -1 1 390.382 2.684 20 30 GFEDMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)N1CCCCC1 ZINC000124600753 654779108 /nfs/dbraw/zinc/77/91/08/654779108.db2.gz SXMBGFANWSTFFN-INIZCTEOSA-N -1 1 383.901 2.527 20 30 GFEDMM CSc1nnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000275577453 655242647 /nfs/dbraw/zinc/24/26/47/655242647.db2.gz HJGLJMGXJPNYFI-UHFFFAOYSA-N -1 1 394.425 2.629 20 30 GFEDMM CSc1nnc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000275653524 655245712 /nfs/dbraw/zinc/24/57/12/655245712.db2.gz UNOOFJNRCYRXJU-UHFFFAOYSA-N -1 1 394.425 2.629 20 30 GFEDMM COCC1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCCC1 ZINC000576650176 655450484 /nfs/dbraw/zinc/45/04/84/655450484.db2.gz ZFGLOTWPLCJPIQ-UHFFFAOYSA-N -1 1 391.262 2.697 20 30 GFEDMM CCc1nc(C)c(C(C)=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000735229649 655642798 /nfs/dbraw/zinc/64/27/98/655642798.db2.gz MOOQRYPIYOCDDQ-UHFFFAOYSA-N -1 1 382.467 2.766 20 30 GFEDMM O=S(=O)(CCc1ccccc1)NN=Cc1ccc([O-])c(Br)c1 ZINC000743448361 655729128 /nfs/dbraw/zinc/72/91/28/655729128.db2.gz LLBIICZVPKJWPR-UHFFFAOYSA-N -1 1 383.267 2.651 20 30 GFEDMM Cc1cc(Br)cc2c1NC(=O)C2=NN=c1[n-]c(-c2ccncc2)no1 ZINC000750947596 655819003 /nfs/dbraw/zinc/81/90/03/655819003.db2.gz AISBVSPRXIEWCO-UHFFFAOYSA-N -1 1 399.208 2.971 20 30 GFEDMM Cc1cc(Br)cc2c1NC(=O)C2=NN=c1nc(-c2ccncc2)[n-]o1 ZINC000750947596 655819004 /nfs/dbraw/zinc/81/90/04/655819004.db2.gz AISBVSPRXIEWCO-UHFFFAOYSA-N -1 1 399.208 2.971 20 30 GFEDMM N#Cc1ccc(CS(=O)(=O)NCc2cccc(Br)c2[O-])c(F)c1 ZINC000766206685 656165232 /nfs/dbraw/zinc/16/52/32/656165232.db2.gz IFLMAQPSWNWLLA-UHFFFAOYSA-N -1 1 399.241 2.785 20 30 GFEDMM C#CCCC[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000769658675 656284636 /nfs/dbraw/zinc/28/46/36/656284636.db2.gz FAHXJAADSUUKQE-UHFFFAOYSA-N -1 1 393.646 2.641 20 30 GFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1Cl ZINC000778084030 656859790 /nfs/dbraw/zinc/85/97/90/656859790.db2.gz BESULFNMTWDQCL-UHFFFAOYSA-N -1 1 377.809 2.969 20 30 GFEDMM C=C(CO)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000791295557 658077468 /nfs/dbraw/zinc/07/74/68/658077468.db2.gz WRKYSYAPBXNQOD-UHFFFAOYSA-N -1 1 380.853 2.936 20 30 GFEDMM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000849412644 661718891 /nfs/dbraw/zinc/71/88/91/661718891.db2.gz UNXFQMNJSJULCR-NWDGAFQWSA-N -1 1 376.320 2.904 20 30 GFEDMM C#CCC1(O)CCN(C(=O)c2c([O-])cnc3c(Br)cccc32)CC1 ZINC000882527954 663030510 /nfs/dbraw/zinc/03/05/10/663030510.db2.gz MMPGKAUUODQOTR-UHFFFAOYSA-N -1 1 389.249 2.693 20 30 GFEDMM CC(C)(C)OC(=O)C[C@H](NCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC000900038690 663706876 /nfs/dbraw/zinc/70/68/76/663706876.db2.gz SXNPWDXSWFIRPG-ZDUSSCGKSA-N -1 1 383.242 2.595 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@](C)(C#N)CSC)c1F ZINC000903124862 663774954 /nfs/dbraw/zinc/77/49/54/663774954.db2.gz WCPJOFKSCJMCND-LBPRGKRZSA-N -1 1 397.291 2.520 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-]CC(C)(C)CC#N)c1F ZINC000916244515 664455030 /nfs/dbraw/zinc/45/50/30/664455030.db2.gz PNJAOQUZYLIHLM-UHFFFAOYSA-N -1 1 379.251 2.815 20 30 GFEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000916486988 664462361 /nfs/dbraw/zinc/46/23/61/664462361.db2.gz AZQKMBRZULISDU-XMWNIVNYSA-N -1 1 381.401 2.560 20 30 GFEDMM Cc1nc2nc(S(=O)(=O)Cc3cccc(C#N)c3)[n-]c2cc1Br ZINC000152062301 677403703 /nfs/dbraw/zinc/40/37/03/677403703.db2.gz ZHKTUEHMLKJFFW-UHFFFAOYSA-N -1 1 391.250 2.874 20 30 GFEDMM Cc1[n-]c2nc(S(=O)(=O)Cc3cccc(C#N)c3)nc-2cc1Br ZINC000152062301 677403705 /nfs/dbraw/zinc/40/37/05/677403705.db2.gz ZHKTUEHMLKJFFW-UHFFFAOYSA-N -1 1 391.250 2.874 20 30 GFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1Br ZINC000180658322 552232580 /nfs/dbraw/zinc/23/25/80/552232580.db2.gz KHGITFLZRLIEMT-UHFFFAOYSA-N -1 1 395.234 2.908 20 30 GFEDMM C=CCn1c(C)nnc1SCC([O-])=C(C(=O)OCC)c1nc(C)cs1 ZINC000298297654 563350413 /nfs/dbraw/zinc/35/04/13/563350413.db2.gz IQICXVRUFFLKNI-CYBMUJFWSA-N -1 1 380.495 2.546 20 30 GFEDMM CC(C)([N-]S(=O)(=O)c1cccnc1C#N)c1nc(C(F)(F)F)cs1 ZINC000428425233 563492118 /nfs/dbraw/zinc/49/21/18/563492118.db2.gz UHYQELOHHYSBAQ-UHFFFAOYSA-N -1 1 376.385 2.642 20 30 GFEDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccc(C)o1 ZINC000433865299 563621948 /nfs/dbraw/zinc/62/19/48/563621948.db2.gz PTVNDQYUAYCORD-CQSZACIVSA-N -1 1 399.266 2.888 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)cc1Cl ZINC000435145696 563642947 /nfs/dbraw/zinc/64/29/47/563642947.db2.gz TVUFAIYEGPUWDE-CYBMUJFWSA-N -1 1 375.837 2.616 20 30 GFEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)ccc1C#N ZINC000435729626 563657931 /nfs/dbraw/zinc/65/79/31/563657931.db2.gz AZHQRKSLPYGIQR-UHFFFAOYSA-N -1 1 378.475 2.521 20 30 GFEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 ZINC000443422212 563804503 /nfs/dbraw/zinc/80/45/03/563804503.db2.gz HCDSKZHMJVXZDJ-UHFFFAOYSA-N -1 1 380.491 2.514 20 30 GFEDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@H](C)O1 ZINC000416590400 563850832 /nfs/dbraw/zinc/85/08/32/563850832.db2.gz BQIYMBOZHJECTA-YWVKMMECSA-N -1 1 391.262 2.552 20 30 GFEDMM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451403534 564309538 /nfs/dbraw/zinc/30/95/38/564309538.db2.gz ZVDJEYOMQYIYEP-UHFFFAOYSA-N -1 1 393.278 2.801 20 30 GFEDMM CC(C)(C#N)CCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000569698398 564475151 /nfs/dbraw/zinc/47/51/51/564475151.db2.gz PXFBTVZMYYVBCV-UHFFFAOYSA-N -1 1 380.344 2.965 20 30 GFEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cc([C@@H]3CCCOC3)n[nH]2)c(Cl)c1 ZINC000519078879 564569555 /nfs/dbraw/zinc/56/95/55/564569555.db2.gz VDNLIZGNFOHIBP-GFCCVEGCSA-N -1 1 380.857 2.824 20 30 GFEDMM COC1CC(CC[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000594788670 565419841 /nfs/dbraw/zinc/41/98/41/565419841.db2.gz GEKMUMZXQAVWFM-UHFFFAOYSA-N -1 1 391.262 2.553 20 30 GFEDMM CC(C)CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000599410847 565677479 /nfs/dbraw/zinc/67/74/79/565677479.db2.gz SRGCCCVZWZNBTI-NSHDSACASA-N -1 1 393.278 2.535 20 30 GFEDMM C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000657037183 566210847 /nfs/dbraw/zinc/21/08/47/566210847.db2.gz WNNDBNSKONYQJB-SWLSCSKDSA-N -1 1 390.502 2.610 20 30 GFEDMM N#CC1(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)CCOCC1 ZINC000737674774 598834236 /nfs/dbraw/zinc/83/42/36/598834236.db2.gz LNEDJCSSEBIDTQ-UHFFFAOYSA-N -1 1 394.460 2.532 20 30 GFEDMM C#Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000819709850 599310567 /nfs/dbraw/zinc/31/05/67/599310567.db2.gz ROEJHMFPXJJSPD-ZROIWOOFSA-N -1 1 379.426 2.847 20 30 GFEDMM C#Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)c1 ZINC000819709850 599310570 /nfs/dbraw/zinc/31/05/70/599310570.db2.gz ROEJHMFPXJJSPD-ZROIWOOFSA-N -1 1 379.426 2.847 20 30 GFEDMM Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN(C)C[C@H](C)C(=O)[O-])c1C#N ZINC000738253321 600372748 /nfs/dbraw/zinc/37/27/48/600372748.db2.gz OJUMCPBEQPGYDL-LBPRGKRZSA-N -1 1 386.427 2.696 20 30 GFEDMM Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000738320326 600693529 /nfs/dbraw/zinc/69/35/29/600693529.db2.gz RMXSEHVSBODKIY-UHFFFAOYSA-N -1 1 382.344 2.967 20 30 GFEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000825631888 601332939 /nfs/dbraw/zinc/33/29/39/601332939.db2.gz NQLFXFUVYJZKFN-BJMVGYQFSA-N -1 1 375.377 2.736 20 30 GFEDMM COc1cc(CN2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000831996061 601355622 /nfs/dbraw/zinc/35/56/22/601355622.db2.gz PYWVUVSMAIYHQS-NRFANRHFSA-N -1 1 395.459 2.519 20 30 GFEDMM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1C#N ZINC000832849362 601513518 /nfs/dbraw/zinc/51/35/18/601513518.db2.gz FGUSIISEMWFNEN-LIRRHRJNSA-N -1 1 394.475 2.616 20 30 GFEDMM C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@](F)(C(=O)[O-])C3)sc2C1 ZINC000828310838 601553798 /nfs/dbraw/zinc/55/37/98/601553798.db2.gz PIBYAUSCEJCZDG-VOJFVSQTSA-N -1 1 379.457 2.572 20 30 GFEDMM N#Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c(Cl)c1 ZINC000826385834 607580681 /nfs/dbraw/zinc/58/06/81/607580681.db2.gz CZQLIOCPLJNNLB-UHFFFAOYSA-N -1 1 396.215 2.813 20 30 GFEDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000833421482 604953501 /nfs/dbraw/zinc/95/35/01/604953501.db2.gz PHPWMNRHAGFHCG-MRXNPFEDSA-N -1 1 395.463 2.505 20 30 GFEDMM N#Cc1ccc(NC(=O)CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)cc1Cl ZINC000833975218 605447638 /nfs/dbraw/zinc/44/76/38/605447638.db2.gz LOKHXOOEQHOMNI-BJJXKVORSA-N -1 1 376.844 2.518 20 30 GFEDMM CCCCCCC[C@]1(C)NC(=O)N(N=Cc2ccc(-c3nn[n-]n3)s2)C1=O ZINC000821051026 606368645 /nfs/dbraw/zinc/36/86/45/606368645.db2.gz XCIZKXAPDUIFAK-KRWDZBQOSA-N -1 1 389.485 2.933 20 30 GFEDMM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1Br ZINC000822801671 606562648 /nfs/dbraw/zinc/56/26/48/606562648.db2.gz LVXMYIFIHLVXHZ-JTQLQIEISA-N -1 1 389.238 2.685 20 30 GFEDMM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1Br ZINC000822801671 606562650 /nfs/dbraw/zinc/56/26/50/606562650.db2.gz LVXMYIFIHLVXHZ-JTQLQIEISA-N -1 1 389.238 2.685 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc(Br)n2)o1 ZINC000824141895 609303959 /nfs/dbraw/zinc/30/39/59/609303959.db2.gz NSXCWQDJFHBNNE-UHFFFAOYSA-N -1 1 391.233 2.756 20 30 GFEDMM N#Cc1cc(Cl)ccc1-n1ccc(NCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000826383832 609447299 /nfs/dbraw/zinc/44/72/99/609447299.db2.gz SGRXVNKKCFBKQE-UHFFFAOYSA-N -1 1 377.799 2.585 20 30 GFEDMM N#Cc1cc(Cl)ccc1-n1ccc(NCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000826383832 609447300 /nfs/dbraw/zinc/44/73/00/609447300.db2.gz SGRXVNKKCFBKQE-UHFFFAOYSA-N -1 1 377.799 2.585 20 30 GFEDMM CC(C)(CC#N)CS(=O)(=O)[N-]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000830618878 660667533 /nfs/dbraw/zinc/66/75/33/660667533.db2.gz PQKSEEGTRASXRK-CQSZACIVSA-N -1 1 398.834 2.949 20 30 GFEDMM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2NC1=O ZINC000055576597 654777990 /nfs/dbraw/zinc/77/79/90/654777990.db2.gz RKARZCWKVGPMFL-SECBINFHSA-N -1 1 377.809 2.732 20 30 GFEDMM CC(C)(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000135589528 655021685 /nfs/dbraw/zinc/02/16/85/655021685.db2.gz IBPQHBMKDNLRIF-UHFFFAOYSA-N -1 1 378.475 2.931 20 30 GFEDMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000106722634 655110094 /nfs/dbraw/zinc/11/00/94/655110094.db2.gz SIRHWCWZQUNDIO-UHFFFAOYSA-N -1 1 382.438 2.519 20 30 GFEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(CS(C)(=O)=O)c1C ZINC000116711222 655251730 /nfs/dbraw/zinc/25/17/30/655251730.db2.gz VUCWSPCSTRHJSA-UHFFFAOYSA-N -1 1 378.475 2.521 20 30 GFEDMM O=C([O-])C(F)(F)Oc1ccc(C=Nn2c(C(F)(F)F)n[nH]c2=S)cc1 ZINC000730726717 655577523 /nfs/dbraw/zinc/57/75/23/655577523.db2.gz CNYGCDLZBGDJOP-UHFFFAOYSA-N -1 1 382.270 2.524 20 30 GFEDMM COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000735268457 655643369 /nfs/dbraw/zinc/64/33/69/655643369.db2.gz FGNSIRFCJXTZJR-UHFFFAOYSA-N -1 1 379.825 2.868 20 30 GFEDMM COc1cc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)ccc1SC ZINC000747610623 655780462 /nfs/dbraw/zinc/78/04/62/655780462.db2.gz FTZBDCFDBHEIDL-UHFFFAOYSA-N -1 1 375.475 2.880 20 30 GFEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)cc1 ZINC000749772363 655807398 /nfs/dbraw/zinc/80/73/98/655807398.db2.gz IQOVPBIFGLAUGE-UHFFFAOYSA-N -1 1 379.821 2.939 20 30 GFEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000795362223 658811218 /nfs/dbraw/zinc/81/12/18/658811218.db2.gz VEOKNNRVCJHCAS-UHFFFAOYSA-N -1 1 379.825 2.841 20 30 GFEDMM C#CC[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000844004819 661400141 /nfs/dbraw/zinc/40/01/41/661400141.db2.gz YVOCJBMANWEBNH-LBPRGKRZSA-N -1 1 389.304 2.534 20 30 GFEDMM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000859423692 662161628 /nfs/dbraw/zinc/16/16/28/662161628.db2.gz ITPANPJSRLZYJF-SECBINFHSA-N -1 1 398.681 2.948 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000153977870 551464354 /nfs/dbraw/zinc/46/43/54/551464354.db2.gz ZHWVZWBBJROIGO-UHFFFAOYSA-N -1 1 399.197 2.959 20 30 GFEDMM N#Cc1ccccc1N1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000155631611 551504689 /nfs/dbraw/zinc/50/46/89/551504689.db2.gz XKWMPZDKKYAITP-UHFFFAOYSA-N -1 1 386.249 2.989 20 30 GFEDMM CC(C)(C(N)=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000158228547 551548580 /nfs/dbraw/zinc/54/85/80/551548580.db2.gz MVIAUGSBPCMSKG-UHFFFAOYSA-N -1 1 377.853 2.775 20 30 GFEDMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000326951745 563456615 /nfs/dbraw/zinc/45/66/15/563456615.db2.gz YSDRJBLEAXMIPM-UHFFFAOYSA-N -1 1 380.809 2.564 20 30 GFEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000329891526 563490804 /nfs/dbraw/zinc/49/08/04/563490804.db2.gz HZTSNWOJGHRZGL-LLVKDONJSA-N -1 1 375.516 2.608 20 30 GFEDMM N#Cc1cccc(CCNC(=O)c2cc(I)ccc2[O-])c1 ZINC000436646047 563676156 /nfs/dbraw/zinc/67/61/56/563676156.db2.gz DYAORVVAEVVYRI-UHFFFAOYSA-N -1 1 392.196 2.841 20 30 GFEDMM N#C[C@@H]1CSCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000291681130 563753472 /nfs/dbraw/zinc/75/34/72/563753472.db2.gz MYDSRGSRWYRQDC-SECBINFHSA-N -1 1 378.251 2.784 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CC2CCSCC2)cc1Br ZINC000451197835 564286155 /nfs/dbraw/zinc/28/61/55/564286155.db2.gz ZKANTFZNACCCKO-UHFFFAOYSA-N -1 1 393.303 2.881 20 30 GFEDMM CCOC(=O)[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)CC(C)(C)CC#N ZINC000451417840 564311065 /nfs/dbraw/zinc/31/10/65/564311065.db2.gz LAHDDHCKUJXODE-OAHLLOKOSA-N -1 1 386.901 2.673 20 30 GFEDMM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451561254 564325713 /nfs/dbraw/zinc/32/57/13/564325713.db2.gz XRSXBSLGOVWYJY-UHFFFAOYSA-N -1 1 393.278 2.801 20 30 GFEDMM Cc1cc(NC(=O)c2ccc(I)c([O-])c2)n(CCC#N)n1 ZINC000544854397 564402297 /nfs/dbraw/zinc/40/22/97/564402297.db2.gz PCWMOJJDXMEZGJ-UHFFFAOYSA-N -1 1 396.188 2.668 20 30 GFEDMM N#Cc1cc(S(=O)(=O)[N-]c2n[nH]cc2Br)ccc1C(F)(F)F ZINC000569298518 564457239 /nfs/dbraw/zinc/45/72/39/564457239.db2.gz RTMFOLXDKYHUHD-UHFFFAOYSA-N -1 1 395.160 2.863 20 30 GFEDMM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000576591693 564716429 /nfs/dbraw/zinc/71/64/29/564716429.db2.gz SMJMVKMATBELNN-GFCCVEGCSA-N -1 1 381.292 2.902 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1 ZINC000577242613 564730852 /nfs/dbraw/zinc/73/08/52/564730852.db2.gz FXFNBDISVLLKET-LLVKDONJSA-N -1 1 383.189 2.940 20 30 GFEDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC)C(F)(F)F ZINC000593589457 565345250 /nfs/dbraw/zinc/34/52/50/565345250.db2.gz UEIUFOGRTBKULW-ZANVPECISA-N -1 1 378.372 2.600 20 30 GFEDMM Cc1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)sc1-c1ccc(F)cc1 ZINC000737239024 598358308 /nfs/dbraw/zinc/35/83/08/598358308.db2.gz YDDBIAIFLCYSPK-UHFFFAOYSA-N -1 1 394.395 2.890 20 30 GFEDMM Cc1cc(C)n(N=Cc2csc(-c3cccs3)n2)c(=O)c1-c1nn[n-]n1 ZINC000737255718 598641736 /nfs/dbraw/zinc/64/17/36/598641736.db2.gz DMZVWYOJCRGRTD-UHFFFAOYSA-N -1 1 383.462 2.712 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)cc1 ZINC000822833378 599307394 /nfs/dbraw/zinc/30/73/94/599307394.db2.gz PEERLHSXNNDVFO-UHFFFAOYSA-N -1 1 394.338 2.558 20 30 GFEDMM N#Cc1ccsc1NC(=O)CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739141838 600144976 /nfs/dbraw/zinc/14/49/76/600144976.db2.gz AABIYTRASRILDF-UHFFFAOYSA-N -1 1 393.852 2.894 20 30 GFEDMM N#Cc1ccsc1NC(=O)CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739141838 600144978 /nfs/dbraw/zinc/14/49/78/600144978.db2.gz AABIYTRASRILDF-UHFFFAOYSA-N -1 1 393.852 2.894 20 30 GFEDMM COc1ccc(C)cc1CN1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832259157 601310552 /nfs/dbraw/zinc/31/05/52/601310552.db2.gz QLCNXHFOWUZCOR-OAQYLSRUSA-N -1 1 379.460 2.819 20 30 GFEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000833074118 601310941 /nfs/dbraw/zinc/31/09/41/601310941.db2.gz PEEASULVGCGIRZ-IBGZPJMESA-N -1 1 381.407 2.671 20 30 GFEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832849315 601524892 /nfs/dbraw/zinc/52/48/92/601524892.db2.gz CNWVVPYJZLGHRJ-FZKQIMNGSA-N -1 1 380.448 2.557 20 30 GFEDMM N#Cc1cccc([C@H](NCc2cc3c(cc2OC(F)F)OCO3)C(=O)[O-])c1 ZINC000833075595 601643753 /nfs/dbraw/zinc/64/37/53/601643753.db2.gz MLKYECMCXZIWQW-INIZCTEOSA-N -1 1 376.315 2.804 20 30 GFEDMM N#CCCCOc1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000833066162 601837039 /nfs/dbraw/zinc/83/70/39/601837039.db2.gz XHSZQCFTSOEOHG-UHFFFAOYSA-N -1 1 395.824 2.917 20 30 GFEDMM Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)c1C#N ZINC000832849347 601940620 /nfs/dbraw/zinc/94/06/20/601940620.db2.gz DTJNVUNVRDDQNS-NRFANRHFSA-N -1 1 398.438 2.840 20 30 GFEDMM COc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)cc1C#N ZINC000826208267 607546221 /nfs/dbraw/zinc/54/62/21/607546221.db2.gz BWJFOGFAQIXPNV-UHFFFAOYSA-N -1 1 392.806 2.764 20 30 GFEDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2OCC#N)c1C ZINC000760361354 602118986 /nfs/dbraw/zinc/11/89/86/602118986.db2.gz UBBCJDFYDGWYEB-UHFFFAOYSA-N -1 1 378.381 2.844 20 30 GFEDMM COCCOc1ccccc1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000821693816 606341754 /nfs/dbraw/zinc/34/17/54/606341754.db2.gz OQKDNGDGIQSFQX-UHFFFAOYSA-N -1 1 385.428 2.524 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(-n3cccn3)c2)o1 ZINC000820107709 607148352 /nfs/dbraw/zinc/14/83/52/607148352.db2.gz ADXRNDDHUZNDJD-UHFFFAOYSA-N -1 1 377.412 2.685 20 30 GFEDMM Cc1nn(-c2ccccc2)c(COc2cccc(F)c2C#N)c1-c1nn[n-]n1 ZINC000826332883 607866151 /nfs/dbraw/zinc/86/61/51/607866151.db2.gz LKVNYCJKFWJONX-UHFFFAOYSA-N -1 1 375.367 2.951 20 30 GFEDMM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826104561 608092097 /nfs/dbraw/zinc/09/20/97/608092097.db2.gz ZGFZIHHTWBCGKQ-BWNDKRECSA-N -1 1 384.417 2.765 20 30 GFEDMM COC(=O)[C@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826104561 608092098 /nfs/dbraw/zinc/09/20/98/608092098.db2.gz ZGFZIHHTWBCGKQ-BWNDKRECSA-N -1 1 384.417 2.765 20 30 GFEDMM N#CC1(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CCCCC1 ZINC000826380327 609289345 /nfs/dbraw/zinc/28/93/45/609289345.db2.gz VOIDQYUKWOIODX-UHFFFAOYSA-N -1 1 380.387 2.604 20 30 GFEDMM CC(=O)Nc1ccc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC000823999947 609372228 /nfs/dbraw/zinc/37/22/28/609372228.db2.gz OFBPSOSMNLAVCX-UHFFFAOYSA-N -1 1 382.428 2.947 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCCC[C@H]2NC(=O)OC(C)(C)C)o1 ZINC000826322979 609467717 /nfs/dbraw/zinc/46/77/17/609467717.db2.gz KMWFYHFYHABBBO-LLVKDONJSA-N -1 1 390.448 2.788 20 30 GFEDMM C=CCOCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823926020 609607914 /nfs/dbraw/zinc/60/79/14/609607914.db2.gz WDAIMMDVVBYHGL-UHFFFAOYSA-N -1 1 383.383 2.731 20 30 GFEDMM C=CCOCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823926020 609607916 /nfs/dbraw/zinc/60/79/16/609607916.db2.gz WDAIMMDVVBYHGL-UHFFFAOYSA-N -1 1 383.383 2.731 20 30 GFEDMM N#C[C@@H](C(=O)[C@@H]1CSCCS1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000128423888 654846495 /nfs/dbraw/zinc/84/64/95/654846495.db2.gz ZFRCGBUSNBWTIR-JQWIXIFHSA-N -1 1 391.543 2.888 20 30 GFEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1S(C)(=O)=O ZINC000134638688 654998950 /nfs/dbraw/zinc/99/89/50/654998950.db2.gz OMGFUOGAAOUJPT-UHFFFAOYSA-N -1 1 384.866 2.724 20 30 GFEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000151735990 655053768 /nfs/dbraw/zinc/05/37/68/655053768.db2.gz VQOQAUSGRZSEQC-LBPRGKRZSA-N -1 1 389.165 2.713 20 30 GFEDMM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000579362919 655498368 /nfs/dbraw/zinc/49/83/68/655498368.db2.gz XYUHKXKFKKMJIP-NOZJJQNGSA-N -1 1 393.278 2.535 20 30 GFEDMM CC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1[O-] ZINC000727777831 655549334 /nfs/dbraw/zinc/54/93/34/655549334.db2.gz WRNFLCWJULKQSK-UHFFFAOYSA-N -1 1 387.230 2.996 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(Br)cc1 ZINC000748255460 655789082 /nfs/dbraw/zinc/78/90/82/655789082.db2.gz VNAFBCNQHHMDHL-UHFFFAOYSA-N -1 1 384.211 2.670 20 30 GFEDMM CC(SCc1nc(=O)c2c(C)c(C)sc2[nH]1)=C([O-])N=C1C[C@@H](C)ON1 ZINC000763257433 656077680 /nfs/dbraw/zinc/07/76/80/656077680.db2.gz CENSJXVISZVNRX-XCBNKYQSSA-N -1 1 380.495 2.874 20 30 GFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cc2n(n1)CCCO2 ZINC000763933436 656096957 /nfs/dbraw/zinc/09/69/57/656096957.db2.gz VIDMDMOIEZAQPF-SNVBAGLBSA-N -1 1 379.203 2.934 20 30 GFEDMM C#C[C@@H](CC)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000770378932 656317707 /nfs/dbraw/zinc/31/77/07/656317707.db2.gz MFVHGMZOLAYVJH-LURJTMIESA-N -1 1 393.646 2.639 20 30 GFEDMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000770730719 656328805 /nfs/dbraw/zinc/32/88/05/656328805.db2.gz YNIKKDVOJREMGK-LLVKDONJSA-N -1 1 392.790 2.944 20 30 GFEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(Br)c([O-])c1 ZINC000778827887 656892253 /nfs/dbraw/zinc/89/22/53/656892253.db2.gz DYOAYWOFWPIRMZ-HWPZZCPQSA-N -1 1 383.242 2.754 20 30 GFEDMM COc1ccc(N=NCc2ccc(OCC(=O)[O-])c(Br)c2)nc1 ZINC000780265510 656994283 /nfs/dbraw/zinc/99/42/83/656994283.db2.gz KFROTVLONZMTHA-UHFFFAOYSA-N -1 1 380.198 2.762 20 30 GFEDMM Cn1ncc2c1nc(N=NC1CCCc3c(Br)cccc31)[n-]c2=O ZINC000782902363 657191792 /nfs/dbraw/zinc/19/17/92/657191792.db2.gz BXDMNQGZQZSPNV-UHFFFAOYSA-N -1 1 387.241 2.984 20 30 GFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)[C@H](O)c1c(Cl)cccc1Cl ZINC000805020144 659718289 /nfs/dbraw/zinc/71/82/89/659718289.db2.gz PJFDLZCUGZKFTJ-RTHLEPHNSA-N -1 1 375.233 2.858 20 30 GFEDMM C#CCCN(CCOC)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000856391498 662031966 /nfs/dbraw/zinc/03/19/66/662031966.db2.gz JETXDYCEZGFYNP-UHFFFAOYSA-N -1 1 377.238 2.815 20 30 GFEDMM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000859425008 662161857 /nfs/dbraw/zinc/16/18/57/662161857.db2.gz XWSUNLZWGDUZQT-QMMMGPOBSA-N -1 1 386.720 2.871 20 30 GFEDMM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000153987109 551464651 /nfs/dbraw/zinc/46/46/51/551464651.db2.gz KPTNIZDZMXOFRX-NRFANRHFSA-N -1 1 399.291 2.859 20 30 GFEDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)c(F)c1 ZINC000155079656 551490805 /nfs/dbraw/zinc/49/08/05/551490805.db2.gz UZRUPNQUJAZWAK-HNNXBMFYSA-N -1 1 382.800 2.543 20 30 GFEDMM C=CCCC[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000279646833 563304833 /nfs/dbraw/zinc/30/48/33/563304833.db2.gz BGGOXSQEFXLPHE-UHFFFAOYSA-N -1 1 395.662 2.782 20 30 GFEDMM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000425176815 563407872 /nfs/dbraw/zinc/40/78/72/563407872.db2.gz CESKEUJPCIBHEC-ZANVPECISA-N -1 1 394.276 2.649 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1Br ZINC000284984309 563498181 /nfs/dbraw/zinc/49/81/81/563498181.db2.gz DYDIRAGGQBFGMJ-UHFFFAOYSA-N -1 1 382.243 2.507 20 30 GFEDMM O=S(=O)([N-][C@@]1(C(F)(F)F)CCOC1)c1ccc(C(F)(F)F)c(F)c1 ZINC000330582043 563512006 /nfs/dbraw/zinc/51/20/06/563512006.db2.gz JSJKLZXXMNIZEB-JTQLQIEISA-N -1 1 381.269 2.844 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CCOCC2)o1 ZINC000286879283 563578974 /nfs/dbraw/zinc/57/89/74/563578974.db2.gz MSSDDMDWUKCHCE-UHFFFAOYSA-N -1 1 380.853 2.831 20 30 GFEDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432782316 563593311 /nfs/dbraw/zinc/59/33/11/563593311.db2.gz WLGOSHZVQKYVRQ-UHFFFAOYSA-N -1 1 381.251 2.922 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cncc(Br)c2)C2CC2)o1 ZINC000287288292 563595090 /nfs/dbraw/zinc/59/50/90/563595090.db2.gz JAGBPSYXWFVLRV-CQSZACIVSA-N -1 1 382.239 2.738 20 30 GFEDMM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(=O)NCCC(F)(F)F ZINC000411268582 563613005 /nfs/dbraw/zinc/61/30/05/563613005.db2.gz MXQIEWASJXZEHG-SECBINFHSA-N -1 1 378.219 2.753 20 30 GFEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000443419850 563804662 /nfs/dbraw/zinc/80/46/62/563804662.db2.gz RPHCNXNNVMTISS-UHFFFAOYSA-N -1 1 380.491 2.514 20 30 GFEDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CS1 ZINC000416599953 563851784 /nfs/dbraw/zinc/85/17/84/563851784.db2.gz VASQRXJFBLLWIF-IONNQARKSA-N -1 1 379.276 2.632 20 30 GFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000416964068 563864322 /nfs/dbraw/zinc/86/43/22/563864322.db2.gz VLZXBFKCQRMELQ-INIZCTEOSA-N -1 1 384.523 2.978 20 30 GFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@](C)(C#N)CSC ZINC000508043292 564250891 /nfs/dbraw/zinc/25/08/91/564250891.db2.gz UOWZDXBXHDOOJV-CYBMUJFWSA-N -1 1 397.305 2.704 20 30 GFEDMM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000452036149 564385784 /nfs/dbraw/zinc/38/57/84/564385784.db2.gz ZWESEOOZWRNBKE-UHFFFAOYSA-N -1 1 393.278 2.535 20 30 GFEDMM N#CC1(CS(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)CCCC1 ZINC000516896646 564515271 /nfs/dbraw/zinc/51/52/71/564515271.db2.gz ORYAUFNTUKXWDP-UHFFFAOYSA-N -1 1 380.857 2.893 20 30 GFEDMM Cc1c(Br)cc(NS(=O)(=O)c2cncc(C#N)c2)cc1C(=O)[O-] ZINC000520673669 564610379 /nfs/dbraw/zinc/61/03/79/564610379.db2.gz LHRYVEWJSWCESU-UHFFFAOYSA-N -1 1 396.222 2.523 20 30 GFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1OC ZINC000523529925 564668541 /nfs/dbraw/zinc/66/85/41/564668541.db2.gz UQGPAXOHHFZURI-UHFFFAOYSA-N -1 1 380.809 2.808 20 30 GFEDMM C=CCN(C(=O)c1ccc(I)c([O-])c1)[C@H](C)COC ZINC000597953850 565585093 /nfs/dbraw/zinc/58/50/93/565585093.db2.gz BNSJGNTUXWLMPW-SNVBAGLBSA-N -1 1 375.206 2.660 20 30 GFEDMM C=CCOc1ccc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)cc1Cl ZINC000735437130 598437529 /nfs/dbraw/zinc/43/75/29/598437529.db2.gz XQNCWNTZELCUHE-UHFFFAOYSA-N -1 1 384.827 2.746 20 30 GFEDMM C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819745768 599335013 /nfs/dbraw/zinc/33/50/13/599335013.db2.gz RHGHAOILTWCFET-UHFFFAOYSA-N -1 1 395.897 2.959 20 30 GFEDMM O=C([O-])C1(NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCCC1 ZINC000739309824 600319654 /nfs/dbraw/zinc/31/96/54/600319654.db2.gz STPUDWVLHVXHPQ-UHFFFAOYSA-N -1 1 382.382 2.550 20 30 GFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000739105850 600566711 /nfs/dbraw/zinc/56/67/11/600566711.db2.gz OGANAQUJAMNZRT-JOCHJYFZSA-N -1 1 397.438 2.926 20 30 GFEDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000825966697 601132361 /nfs/dbraw/zinc/13/23/61/601132361.db2.gz KKZWADFVJAUEPB-LSDHHAIUSA-N -1 1 390.509 2.951 20 30 GFEDMM N#Cc1ccccc1N1CCCN(Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000833075586 601399319 /nfs/dbraw/zinc/39/93/19/601399319.db2.gz UCRKTZNOUXXACP-UHFFFAOYSA-N -1 1 375.432 2.776 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC([C@@H](C)NC(=O)[O-])CC2)cc1 ZINC000740131603 602450243 /nfs/dbraw/zinc/45/02/43/602450243.db2.gz XOKCEJURFHNMSR-SJORKVTESA-N -1 1 386.496 2.998 20 30 GFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000740067423 602770287 /nfs/dbraw/zinc/77/02/87/602770287.db2.gz RASICCDSJSKXGL-LNLFQRSKSA-N -1 1 386.496 2.917 20 30 GFEDMM C=CCn1c(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)nnc1-c1ccncc1 ZINC000819763796 606443956 /nfs/dbraw/zinc/44/39/56/606443956.db2.gz DAOWCRLRGZYDCW-UHFFFAOYSA-N -1 1 397.855 2.906 20 30 GFEDMM C=CCn1c(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)nnc1-c1ccncc1 ZINC000819763796 606443957 /nfs/dbraw/zinc/44/39/57/606443957.db2.gz DAOWCRLRGZYDCW-UHFFFAOYSA-N -1 1 397.855 2.906 20 30 GFEDMM C=C(C)COCCNC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819722174 606799481 /nfs/dbraw/zinc/79/94/81/606799481.db2.gz APJSIPZOFKURCG-UHFFFAOYSA-N -1 1 398.492 2.987 20 30 GFEDMM Cc1nn(-c2ccccc2)cc1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826332739 607887207 /nfs/dbraw/zinc/88/72/07/607887207.db2.gz FTUXTHGULGHUEZ-UHFFFAOYSA-N -1 1 377.412 2.918 20 30 GFEDMM C=CCCC[C@@H](C)OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000823894431 608332880 /nfs/dbraw/zinc/33/28/80/608332880.db2.gz QGMVZIOHGJBZDW-GFCCVEGCSA-N -1 1 383.456 2.747 20 30 GFEDMM C=CCCC[C@@H](C)OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000823894431 608332882 /nfs/dbraw/zinc/33/28/82/608332882.db2.gz QGMVZIOHGJBZDW-GFCCVEGCSA-N -1 1 383.456 2.747 20 30 GFEDMM C=CCN(C(C)C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000830105802 660635811 /nfs/dbraw/zinc/63/58/11/660635811.db2.gz OTAQPFNBSRBZKH-UHFFFAOYSA-N -1 1 378.491 2.563 20 30 GFEDMM N#CCC1(CS(=O)(=O)[N-]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000830618600 660667523 /nfs/dbraw/zinc/66/75/23/660667523.db2.gz DEGAJYNLTBIALD-AWEZNQCLSA-N -1 1 396.818 2.703 20 30 GFEDMM C=CCn1c(Cc2csc(NC(=O)c3cc(CC)[nH]n3)n2)n[n-]c1=S ZINC000029021135 654573800 /nfs/dbraw/zinc/57/38/00/654573800.db2.gz QGFDSMAFULLAAK-UHFFFAOYSA-N -1 1 375.483 2.712 20 30 GFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)ccc1Cl ZINC000067659698 654942735 /nfs/dbraw/zinc/94/27/35/654942735.db2.gz UJKSXRFKLMTYBG-UHFFFAOYSA-N -1 1 377.788 2.732 20 30 GFEDMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000274239240 655181069 /nfs/dbraw/zinc/18/10/69/655181069.db2.gz WVQOEPLZBNIXGM-MRVPVSSYSA-N -1 1 397.268 2.617 20 30 GFEDMM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000314006305 655380147 /nfs/dbraw/zinc/38/01/47/655380147.db2.gz FHWKXLKAQUQOHO-UHFFFAOYSA-N -1 1 380.219 2.929 20 30 GFEDMM CC(=NNc1nc2[nH][n-]cc-2c(=O)n1)c1cc2cc(Br)ccc2o1 ZINC000731154872 655582081 /nfs/dbraw/zinc/58/20/81/655582081.db2.gz HYKCKVIFNFFRCK-UHFFFAOYSA-N -1 1 387.197 2.777 20 30 GFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)ccc1C#N ZINC000766546403 656175342 /nfs/dbraw/zinc/17/53/42/656175342.db2.gz FCVXENBYFYDXFQ-UHFFFAOYSA-N -1 1 399.881 2.692 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000797842077 659059270 /nfs/dbraw/zinc/05/92/70/659059270.db2.gz USYDOYKRYVJGHM-SKDRFNHKSA-N -1 1 395.706 2.757 20 30 GFEDMM C=CCN(CC=C)[C@H](CNS(=O)(=O)c1cc(C)c(C(=O)[O-])s1)C(C)C ZINC000871945887 662744928 /nfs/dbraw/zinc/74/49/28/662744928.db2.gz BLLRXCIOOOUCNP-CQSZACIVSA-N -1 1 386.539 2.732 20 30 GFEDMM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000872459712 662769151 /nfs/dbraw/zinc/76/91/51/662769151.db2.gz VPDDRONWFBVPSW-DEOSSOPVSA-N -1 1 396.456 2.788 20 30 GFEDMM O=S(=O)([N-]C[C@@H](O)C(F)(F)C(F)(F)F)c1ccccc1C(F)(F)F ZINC000882780271 663041798 /nfs/dbraw/zinc/04/17/98/663041798.db2.gz YZWQJYRXXBAWIA-MRVPVSSYSA-N -1 1 387.248 2.542 20 30 GFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000914600598 664412740 /nfs/dbraw/zinc/41/27/40/664412740.db2.gz WXWFINZCLWVDIE-UHFFFAOYSA-N -1 1 378.797 2.711 20 30 GFEDMM CCN(CC)S(=O)(=O)c1ccc(N=NCc2ccc([O-])c(Cl)c2)nc1 ZINC000921257078 664539791 /nfs/dbraw/zinc/53/97/91/664539791.db2.gz MAMQUZCUYOPPKO-UHFFFAOYSA-N -1 1 382.873 2.917 20 30 GFEDMM C=CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000187858310 552426559 /nfs/dbraw/zinc/42/65/59/552426559.db2.gz VDYHMSOZUSGRDR-ZETCQYMHSA-N -1 1 389.098 2.971 20 30 GFEDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 ZINC000295186937 563233703 /nfs/dbraw/zinc/23/37/03/563233703.db2.gz QORYOTCEVIZMMN-ZJUUUORDSA-N -1 1 391.262 2.553 20 30 GFEDMM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471657946 564201763 /nfs/dbraw/zinc/20/17/63/564201763.db2.gz JDUMWKOFGJRGJV-MRVPVSSYSA-N -1 1 386.670 2.705 20 30 GFEDMM CCC[C@]1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCOC1 ZINC000451524602 564322738 /nfs/dbraw/zinc/32/27/38/564322738.db2.gz CVAWNZJKEZXSFN-AWEZNQCLSA-N -1 1 391.262 2.697 20 30 GFEDMM Cc1nc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)sc1SCC#N ZINC000486128398 564640249 /nfs/dbraw/zinc/64/02/49/564640249.db2.gz NVKUAGARAKLZHX-UHFFFAOYSA-N -1 1 396.519 2.999 20 30 GFEDMM N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528550219 564794046 /nfs/dbraw/zinc/79/40/46/564794046.db2.gz MDCGBGFHZOEBQE-ZDUSSCGKSA-N -1 1 398.326 2.616 20 30 GFEDMM CC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@H](O)C(F)(F)F ZINC000497982918 564883454 /nfs/dbraw/zinc/88/34/54/564883454.db2.gz LNMWCEWMJYWVLI-SCZZXKLOSA-N -1 1 383.285 2.825 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c([N+](=O)[O-])c1 ZINC000533896592 564975571 /nfs/dbraw/zinc/97/55/71/564975571.db2.gz KWUYRFSZWXCRKS-UHFFFAOYSA-N -1 1 381.753 2.649 20 30 GFEDMM CCOC(=O)c1sc([N-]C(=O)c2ccc(S(C)(=O)=O)s2)c(C#N)c1C ZINC000591505440 565232700 /nfs/dbraw/zinc/23/27/00/565232700.db2.gz FDFKGYWKWHXAGT-UHFFFAOYSA-N -1 1 398.487 2.822 20 30 GFEDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(=O)OC)C(F)(F)F ZINC000593589456 565344729 /nfs/dbraw/zinc/34/47/29/565344729.db2.gz UEIUFOGRTBKULW-TVQRCGJNSA-N -1 1 378.372 2.600 20 30 GFEDMM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)O1 ZINC000594851941 565429401 /nfs/dbraw/zinc/42/94/01/565429401.db2.gz NFAAFYHEAVYHIO-MWLCHTKSSA-N -1 1 391.262 2.696 20 30 GFEDMM C#Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)nc1 ZINC000735389769 598833847 /nfs/dbraw/zinc/83/38/47/598833847.db2.gz IWTXOPAVURAYCD-UHFFFAOYSA-N -1 1 386.440 2.902 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(Br)cn2)o1 ZINC000735657132 598860536 /nfs/dbraw/zinc/86/05/36/598860536.db2.gz PCTZLBFXYSYBQN-UHFFFAOYSA-N -1 1 391.233 2.756 20 30 GFEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000735401948 598948196 /nfs/dbraw/zinc/94/81/96/598948196.db2.gz ARJLZIYEQLONEQ-UHFFFAOYSA-N -1 1 385.449 2.931 20 30 GFEDMM N#Cc1cnc2ccccc2c1OCCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000737728800 599027336 /nfs/dbraw/zinc/02/73/36/599027336.db2.gz WAMHYWZQHPCIQE-UHFFFAOYSA-N -1 1 392.400 2.584 20 30 GFEDMM COc1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1NC(C)=O ZINC000737070718 598314224 /nfs/dbraw/zinc/31/42/24/598314224.db2.gz ASAMFQLZUWFVLZ-UHFFFAOYSA-N -1 1 398.427 2.781 20 30 GFEDMM N#Cc1[n-]c(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)nc1-c1nn[nH]n1 ZINC000737704045 598528865 /nfs/dbraw/zinc/52/88/65/598528865.db2.gz CWOZRHOSVKEVKG-SFYZADRCSA-N -1 1 389.206 2.510 20 30 GFEDMM Cc1nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)sc1SCC#N ZINC000738347444 600055952 /nfs/dbraw/zinc/05/59/52/600055952.db2.gz MNSCXMUTXQRUDM-UHFFFAOYSA-N -1 1 383.476 2.875 20 30 GFEDMM NC(=NOCC(=O)Nc1ccccc1C(=O)[O-])c1ccc(N2CCCCC2)cc1 ZINC000833078665 601056403 /nfs/dbraw/zinc/05/64/03/601056403.db2.gz NPHIJNZGDXYTQZ-UHFFFAOYSA-N -1 1 396.447 2.651 20 30 GFEDMM COc1cc(CN2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000831996064 601355323 /nfs/dbraw/zinc/35/53/23/601355323.db2.gz PYWVUVSMAIYHQS-OAQYLSRUSA-N -1 1 395.459 2.519 20 30 GFEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832849316 601524754 /nfs/dbraw/zinc/52/47/54/601524754.db2.gz CNWVVPYJZLGHRJ-SCLBCKFNSA-N -1 1 380.448 2.557 20 30 GFEDMM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826385377 607672316 /nfs/dbraw/zinc/67/23/16/607672316.db2.gz JLPHIPIYLJXVLJ-UHFFFAOYSA-N -1 1 396.215 2.813 20 30 GFEDMM N#Cc1ccccc1C=CC(=O)Nc1ccc(-c2nc(CNC(=O)[O-])n[nH]2)cc1 ZINC000831152788 605437621 /nfs/dbraw/zinc/43/76/21/605437621.db2.gz MYMIIBAPXBGAAH-JXMROGBWSA-N -1 1 388.387 2.763 20 30 GFEDMM N#Cc1ccccc1C=CC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000831152788 605437625 /nfs/dbraw/zinc/43/76/25/605437625.db2.gz MYMIIBAPXBGAAH-JXMROGBWSA-N -1 1 388.387 2.763 20 30 GFEDMM COc1nc2ccccc2cc1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826221406 607886715 /nfs/dbraw/zinc/88/67/15/607886715.db2.gz DDLGNQGBMZJYTQ-UHFFFAOYSA-N -1 1 378.396 2.981 20 30 GFEDMM CCOC(=O)[C@@H]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000825498711 608054135 /nfs/dbraw/zinc/05/41/35/608054135.db2.gz AZSRYIUTVVLGKV-WDEREUQCSA-N -1 1 375.433 2.745 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(Br)c3cccnc23)o1 ZINC000826322987 609304247 /nfs/dbraw/zinc/30/42/47/609304247.db2.gz KYPPRLKZMHLFOA-UHFFFAOYSA-N -1 1 399.212 2.920 20 30 GFEDMM N#C[C@H](C(=O)[C@@H]1CSCCS1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000128424086 654846534 /nfs/dbraw/zinc/84/65/34/654846534.db2.gz ZFRCGBUSNBWTIR-PWSUYJOCSA-N -1 1 391.543 2.888 20 30 GFEDMM CN1c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2CCC1=O ZINC000105390336 655091656 /nfs/dbraw/zinc/09/16/56/655091656.db2.gz AJKFROMCAOGTTH-UHFFFAOYSA-N -1 1 375.837 2.921 20 30 GFEDMM C[C@H](NC(=O)C(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000299475438 655376569 /nfs/dbraw/zinc/37/65/69/655376569.db2.gz YXNHBXDGRNBPKJ-CDUCUWFYSA-N -1 1 378.219 2.751 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=CC2=Cc3cc(Br)ccc3OC2)c(=O)o1 ZINC000255366187 655438498 /nfs/dbraw/zinc/43/84/98/655438498.db2.gz LMCLAMAMYNMRTO-MMTGSJLXSA-N -1 1 389.201 2.996 20 30 GFEDMM C[C@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000576857517 655453203 /nfs/dbraw/zinc/45/32/03/655453203.db2.gz ZOWUATHTTIJHGA-GFCCVEGCSA-N -1 1 398.893 2.968 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCSc2c(F)cccc21 ZINC000748253506 655789057 /nfs/dbraw/zinc/78/90/57/655789057.db2.gz OMDJZYQMOXKWAJ-UHFFFAOYSA-N -1 1 381.410 2.912 20 30 GFEDMM Cc1ccc(C)c(S(=O)(=O)NN=Cc2cc(O)c([O-])c(Br)c2)c1 ZINC000757560690 655913254 /nfs/dbraw/zinc/91/32/54/655913254.db2.gz IAFZQVLRHGVQEY-UHFFFAOYSA-N -1 1 399.266 2.790 20 30 GFEDMM Cc1c(C#N)cccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765929991 656155187 /nfs/dbraw/zinc/15/51/87/656155187.db2.gz FPPICEUEDFXMJV-UHFFFAOYSA-N -1 1 388.221 2.590 20 30 GFEDMM C#CCSCCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000769907517 656299593 /nfs/dbraw/zinc/29/95/93/656299593.db2.gz WUBSNOZQIUGTGX-UHFFFAOYSA-N -1 1 376.356 2.599 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnc3c(C)cc(Br)cn23)c(=O)o1 ZINC000783698278 657252607 /nfs/dbraw/zinc/25/26/07/657252607.db2.gz ZJDKCNQUSXUUNF-BWPKMQGJSA-N -1 1 389.205 2.633 20 30 GFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)(C)C ZINC000805147075 659751374 /nfs/dbraw/zinc/75/13/74/659751374.db2.gz RAIDNGGLGNRUIP-LBPRGKRZSA-N -1 1 375.244 2.684 20 30 GFEDMM C[S@@](=O)(=NS(=O)(=O)[N-]Cc1cc(F)c(C#N)c(F)c1)C1CCCCC1 ZINC000882329786 663024614 /nfs/dbraw/zinc/02/46/14/663024614.db2.gz PCMQJWHWNBAIJL-DEOSSOPVSA-N -1 1 391.465 2.601 20 30 GFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(=O)OCC ZINC000918544754 664500859 /nfs/dbraw/zinc/50/08/59/664500859.db2.gz UUEFOBLVICTLAM-MRXNPFEDSA-N -1 1 384.885 2.669 20 30 GFEDMM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000192128786 552552292 /nfs/dbraw/zinc/55/22/92/552552292.db2.gz NRDRPUPAWIDPES-AWEZNQCLSA-N -1 1 378.475 2.623 20 30 GFEDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(Br)ccc2C#N)s1 ZINC000416453599 563830606 /nfs/dbraw/zinc/83/06/06/563830606.db2.gz GBNDGSXGAGNJJT-SSDOTTSWSA-N -1 1 387.284 2.520 20 30 GFEDMM CN(CC(F)(F)F)C(=O)C(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000298581151 563361055 /nfs/dbraw/zinc/36/10/55/563361055.db2.gz JOYKQGCPLXVODB-SECBINFHSA-N -1 1 378.219 2.705 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)c1 ZINC000285100968 563502930 /nfs/dbraw/zinc/50/29/30/563502930.db2.gz NMEATGFUEICYLD-UHFFFAOYSA-N -1 1 382.243 2.507 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CCOCC2)o1 ZINC000286729141 563572574 /nfs/dbraw/zinc/57/25/74/563572574.db2.gz SSQYNHYBKCRPTN-UHFFFAOYSA-N -1 1 380.853 2.831 20 30 GFEDMM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)no1 ZINC000289631094 563681288 /nfs/dbraw/zinc/68/12/88/563681288.db2.gz UGIPZICKHGOHFJ-JTQLQIEISA-N -1 1 384.845 2.559 20 30 GFEDMM CC(C)(CCCO)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451380216 564306576 /nfs/dbraw/zinc/30/65/76/564306576.db2.gz RZCYMHNJNUBBLQ-UHFFFAOYSA-N -1 1 393.278 2.537 20 30 GFEDMM N#CC(Cc1ccc(C#N)cc1)=C([O-])N=c1cc2ccc(Br)cn2[nH]1 ZINC000511285902 564365449 /nfs/dbraw/zinc/36/54/49/564365449.db2.gz NMZHNDQPOPPJME-CQSZACIVSA-N -1 1 394.232 2.711 20 30 GFEDMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000514876891 564460849 /nfs/dbraw/zinc/46/08/49/564460849.db2.gz ABBMDFPRQQIMKX-UHFFFAOYSA-N -1 1 384.772 2.858 20 30 GFEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000481945583 564528812 /nfs/dbraw/zinc/52/88/12/564528812.db2.gz SEZQXBLVIHVQTA-UHFFFAOYSA-N -1 1 375.837 2.928 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)c(Cl)c2)o1 ZINC000553541300 564726172 /nfs/dbraw/zinc/72/61/72/564726172.db2.gz GYNMQQHAJWLTCH-ZDUSSCGKSA-N -1 1 375.233 2.860 20 30 GFEDMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000528543541 564792172 /nfs/dbraw/zinc/79/21/72/564792172.db2.gz AICDDMYLXKFTHH-PJPCKVBYSA-N -1 1 391.262 2.550 20 30 GFEDMM CC1CCN(S(=O)(=O)[N-]c2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000582262662 564837811 /nfs/dbraw/zinc/83/78/11/564837811.db2.gz LDWKACLRJVLEEP-UHFFFAOYSA-N -1 1 379.873 2.786 20 30 GFEDMM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000558037833 564889865 /nfs/dbraw/zinc/88/98/65/564889865.db2.gz KQECWHCHBTZWAU-UHFFFAOYSA-N -1 1 378.475 2.851 20 30 GFEDMM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000558344275 564898840 /nfs/dbraw/zinc/89/88/40/564898840.db2.gz LFWWIQIYXLQGAS-SNVBAGLBSA-N -1 1 393.278 2.535 20 30 GFEDMM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000656958865 566194155 /nfs/dbraw/zinc/19/41/55/566194155.db2.gz IVUVZLUDNVUOFU-SSDOTTSWSA-N -1 1 389.098 2.971 20 30 GFEDMM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC000736057530 598429817 /nfs/dbraw/zinc/42/98/17/598429817.db2.gz WSXFGFDYMJFMNX-SSDOTTSWSA-N -1 1 391.222 2.586 20 30 GFEDMM CC(=CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000819764562 599312927 /nfs/dbraw/zinc/31/29/27/599312927.db2.gz JRDPQDABZFEQJX-VMPITWQZSA-N -1 1 388.313 2.522 20 30 GFEDMM COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000738132395 600306738 /nfs/dbraw/zinc/30/67/38/600306738.db2.gz DMHVBYADKOZYJG-HZPDHXFCSA-N -1 1 385.464 2.517 20 30 GFEDMM Cc1cccc(C(=O)N2CCCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738681947 600563442 /nfs/dbraw/zinc/56/34/42/600563442.db2.gz KFGFOLFEUNHKSQ-FQEVSTJZSA-N -1 1 377.444 2.841 20 30 GFEDMM N#Cc1cccc([C@@H](NCc2cccc(C(=O)NCc3ccco3)c2)C(=O)[O-])c1 ZINC000833076235 601302612 /nfs/dbraw/zinc/30/26/12/601302612.db2.gz SGTBNDYDBXRNQG-HXUWFJFHSA-N -1 1 389.411 2.997 20 30 GFEDMM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)c1C#N ZINC000832849361 601512944 /nfs/dbraw/zinc/51/29/44/601512944.db2.gz FGUSIISEMWFNEN-KUHUBIRLSA-N -1 1 394.475 2.616 20 30 GFEDMM Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1C#N ZINC000832849585 601524591 /nfs/dbraw/zinc/52/45/91/601524591.db2.gz KKRDZPMUKOZDMI-SGTLLEGYSA-N -1 1 398.438 2.696 20 30 GFEDMM C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)N1C(=O)[O-] ZINC000739178989 602840766 /nfs/dbraw/zinc/84/07/66/602840766.db2.gz AOAXXLSGOZVKPP-VXGBXAGGSA-N -1 1 376.482 2.510 20 30 GFEDMM COc1ccc(N=c2scc(C)n2N=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000826209444 607634077 /nfs/dbraw/zinc/63/40/77/607634077.db2.gz BZLZGVCNJKCVTE-UHFFFAOYSA-N -1 1 381.421 2.754 20 30 GFEDMM COc1ccc(N=c2scc(C)n2N=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000826209444 607634078 /nfs/dbraw/zinc/63/40/78/607634078.db2.gz BZLZGVCNJKCVTE-UHFFFAOYSA-N -1 1 381.421 2.754 20 30 GFEDMM COc1cc(NC(C)=O)ccc1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826180633 607652776 /nfs/dbraw/zinc/65/27/76/607652776.db2.gz QHKSPXLANYFANQ-UHFFFAOYSA-N -1 1 398.427 2.781 20 30 GFEDMM N#Cc1ccc(-c2nnc(CN3CCC[C@H]([C@H]4CCCN4C(=O)[O-])C3)o2)cc1 ZINC000831117664 604038268 /nfs/dbraw/zinc/03/82/68/604038268.db2.gz CAJGHJIABQJVAB-DLBZAZTESA-N -1 1 381.436 2.963 20 30 GFEDMM C#CCCN1CCN(c2cc(C(=O)[O-])nc3ccc(Br)cc32)CC1 ZINC000833365342 605035815 /nfs/dbraw/zinc/03/58/15/605035815.db2.gz PQQJVZUNKSALAS-UHFFFAOYSA-N -1 1 388.265 2.841 20 30 GFEDMM N#Cc1ccc(NC(=O)CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)cc1Cl ZINC000833975225 605447011 /nfs/dbraw/zinc/44/70/11/605447011.db2.gz LOKHXOOEQHOMNI-NOLJZWGESA-N -1 1 376.844 2.518 20 30 GFEDMM COc1cc(C)c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1OC ZINC000821708750 606341868 /nfs/dbraw/zinc/34/18/68/606341868.db2.gz YNYCVYVMMMFSME-UHFFFAOYSA-N -1 1 385.428 2.924 20 30 GFEDMM C#CCN(CC#C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819697964 606459072 /nfs/dbraw/zinc/45/90/72/606459072.db2.gz PJJJXORHDNGUBF-UHFFFAOYSA-N -1 1 375.363 2.507 20 30 GFEDMM C#CCN(CC#C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000819697964 606459074 /nfs/dbraw/zinc/45/90/74/606459074.db2.gz PJJJXORHDNGUBF-UHFFFAOYSA-N -1 1 375.363 2.507 20 30 GFEDMM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823162017 606502436 /nfs/dbraw/zinc/50/24/36/606502436.db2.gz RRCUBPROCMUJTE-UHFFFAOYSA-N -1 1 377.351 2.729 20 30 GFEDMM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823162017 606502437 /nfs/dbraw/zinc/50/24/37/606502437.db2.gz RRCUBPROCMUJTE-UHFFFAOYSA-N -1 1 377.351 2.729 20 30 GFEDMM Cc1nn(-c2ccccc2)c(COC(=O)c2cc(C#N)cs2)c1-c1nn[n-]n1 ZINC000822486515 606569666 /nfs/dbraw/zinc/56/96/66/606569666.db2.gz MOQDXAFUSGCZJD-UHFFFAOYSA-N -1 1 391.416 2.651 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCc2ccc(C#N)cc21 ZINC000826340867 607945524 /nfs/dbraw/zinc/94/55/24/607945524.db2.gz NPVZRMZLFZSHLG-UHFFFAOYSA-N -1 1 385.387 2.633 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCc2ccc(C#N)cc21 ZINC000826340867 607945525 /nfs/dbraw/zinc/94/55/25/607945525.db2.gz NPVZRMZLFZSHLG-UHFFFAOYSA-N -1 1 385.387 2.633 20 30 GFEDMM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000882847902 663043785 /nfs/dbraw/zinc/04/37/85/663043785.db2.gz VFBGPSKLFONEIF-VIFPVBQESA-N -1 1 386.670 2.847 20 30 GFEDMM CSCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000830563891 660664499 /nfs/dbraw/zinc/66/44/99/660664499.db2.gz MXHGEBJWGRTDSD-QMMMGPOBSA-N -1 1 381.292 2.880 20 30 GFEDMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)co1 ZINC000270009961 655031057 /nfs/dbraw/zinc/03/10/57/655031057.db2.gz AMHWPKAMMHIYTQ-LLVKDONJSA-N -1 1 379.463 2.692 20 30 GFEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000172589645 655158897 /nfs/dbraw/zinc/15/88/97/655158897.db2.gz IFCKXFNPZHRLRF-UHFFFAOYSA-N -1 1 386.401 2.664 20 30 GFEDMM CC(=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc([O-])c(Cl)c1 ZINC000768763206 656250489 /nfs/dbraw/zinc/25/04/89/656250489.db2.gz CQOWWRIFGJIPAL-UHFFFAOYSA-N -1 1 383.813 2.965 20 30 GFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(Br)cc1C(F)(F)F ZINC000794538275 658559095 /nfs/dbraw/zinc/55/90/95/658559095.db2.gz PMQWLDYVTZZNAK-UHFFFAOYSA-N -1 1 379.161 2.591 20 30 GFEDMM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000814397046 660080394 /nfs/dbraw/zinc/08/03/94/660080394.db2.gz LYCGJQGRBZQFMN-UHFFFAOYSA-N -1 1 380.260 2.709 20 30 GFEDMM CCN(CC)S(=O)(=O)c1ccc(N=NCc2cccc([O-])c2Cl)nc1 ZINC000814746711 660094918 /nfs/dbraw/zinc/09/49/18/660094918.db2.gz BHERRRLSPPFRHP-UHFFFAOYSA-N -1 1 382.873 2.917 20 30 GFEDMM C=CCN(CC=C)[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])sc1C)C(C)C ZINC000871946110 662744918 /nfs/dbraw/zinc/74/49/18/662744918.db2.gz LAVNATPOIWWTKY-CQSZACIVSA-N -1 1 386.539 2.732 20 30 GFEDMM C#CCN(CC(=O)Nc1cccc([O-])c1Br)C(=O)OC(C)(C)C ZINC000908711315 664122806 /nfs/dbraw/zinc/12/28/06/664122806.db2.gz UYWFXLLPCQZDQF-UHFFFAOYSA-N -1 1 383.242 2.964 20 30 GFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Br)cc1 ZINC000914599866 664412687 /nfs/dbraw/zinc/41/26/87/664412687.db2.gz MYWHSBUDWMQZIO-UHFFFAOYSA-N -1 1 378.251 2.912 20 30 GFEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(Br)c3c(c2)OCCCO3)n1 ZINC000921251756 664539823 /nfs/dbraw/zinc/53/98/23/664539823.db2.gz BEJWHQKXUGEGTL-UHFFFAOYSA-N -1 1 379.214 2.860 20 30 GFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(I)c2)cc1 ZINC000157990515 551545795 /nfs/dbraw/zinc/54/57/95/551545795.db2.gz GOYVEJGTGHCTNV-UHFFFAOYSA-N -1 1 384.198 2.964 20 30 GFEDMM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183004923 552298592 /nfs/dbraw/zinc/29/85/92/552298592.db2.gz LKLMOXBIQPYMDJ-UHFFFAOYSA-N -1 1 388.829 2.555 20 30 GFEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000188993827 552460224 /nfs/dbraw/zinc/46/02/24/552460224.db2.gz BQFHOVWTANQYPO-CQSZACIVSA-N -1 1 376.821 2.518 20 30 GFEDMM N#CCc1ccnc(NC(=O)c2ccc(I)c([O-])c2)c1 ZINC000545458978 564423697 /nfs/dbraw/zinc/42/36/97/564423697.db2.gz ZZNSCJCWMNPCAL-UHFFFAOYSA-N -1 1 379.157 2.710 20 30 GFEDMM N#Cc1c(Br)cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000436792296 563680411 /nfs/dbraw/zinc/68/04/11/563680411.db2.gz NDCDYXXFWNKKST-UHFFFAOYSA-N -1 1 397.206 2.525 20 30 GFEDMM COC(=O)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Br)cc1 ZINC000442942246 563785081 /nfs/dbraw/zinc/78/50/81/563785081.db2.gz PGIIAGWNONDYFV-HNNXBMFYSA-N -1 1 389.205 2.670 20 30 GFEDMM C[C@H](C#N)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000446766254 563868764 /nfs/dbraw/zinc/86/87/64/563868764.db2.gz DPCHQVCTQAQHMV-GFCCVEGCSA-N -1 1 398.893 2.968 20 30 GFEDMM COc1cc(NC(=O)c2cc(C#N)ccc2Cl)ccc1[N-]S(C)(=O)=O ZINC000505415250 564182826 /nfs/dbraw/zinc/18/28/26/564182826.db2.gz NNFDNPCSOHSQHX-UHFFFAOYSA-N -1 1 379.825 2.844 20 30 GFEDMM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000508117600 564254440 /nfs/dbraw/zinc/25/44/40/564254440.db2.gz NCJXVPNGGHWBEB-LBPRGKRZSA-N -1 1 399.669 2.839 20 30 GFEDMM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000511412932 564371866 /nfs/dbraw/zinc/37/18/66/564371866.db2.gz JPQHGMDBQTUACA-UHFFFAOYSA-N -1 1 387.795 2.686 20 30 GFEDMM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CC1 ZINC000451976116 564375312 /nfs/dbraw/zinc/37/53/12/564375312.db2.gz XIWPBTUFKJGNHT-RTHLEPHNSA-N -1 1 391.262 2.552 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3cccc(Br)c3)CC2)o1 ZINC000561511706 564997704 /nfs/dbraw/zinc/99/77/04/564997704.db2.gz HGSZCJNAEGDQPB-UHFFFAOYSA-N -1 1 381.251 2.924 20 30 GFEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ncccc2I)c1 ZINC000589585131 565166936 /nfs/dbraw/zinc/16/69/36/565166936.db2.gz SIXYYYWFLZMSGK-UHFFFAOYSA-N -1 1 399.213 2.553 20 30 GFEDMM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)nc1C ZINC000593563025 565341793 /nfs/dbraw/zinc/34/17/93/565341793.db2.gz KFYCPVNKOWAMFA-SECBINFHSA-N -1 1 385.492 2.601 20 30 GFEDMM COc1cc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc(Cl)c1[O-] ZINC000597932942 565582881 /nfs/dbraw/zinc/58/28/81/565582881.db2.gz JPDHXTBQVBCCAU-UHFFFAOYSA-N -1 1 377.853 2.950 20 30 GFEDMM CCN(CCC#N)S(=O)(=O)[N-]CC(F)(F)c1ccc(Br)cc1 ZINC000598625909 565630773 /nfs/dbraw/zinc/63/07/73/565630773.db2.gz UHZWWHHTRFRLSJ-UHFFFAOYSA-N -1 1 396.257 2.611 20 30 GFEDMM C=CCN(Cc1cccs1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000735426144 598873656 /nfs/dbraw/zinc/87/36/56/598873656.db2.gz LEZHDKKARKAOAO-UHFFFAOYSA-N -1 1 395.897 2.959 20 30 GFEDMM C=CCN(Cc1cccs1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000735426144 598873657 /nfs/dbraw/zinc/87/36/57/598873657.db2.gz LEZHDKKARKAOAO-UHFFFAOYSA-N -1 1 395.897 2.959 20 30 GFEDMM Cc1ccc(-c2ccc(C(=O)Nc3nc(-c4nn[nH]n4)c(C#N)[n-]3)c(F)c2)cc1 ZINC000737288078 598408953 /nfs/dbraw/zinc/40/89/53/598408953.db2.gz LYNXBTJPYRZYRP-UHFFFAOYSA-N -1 1 388.366 2.828 20 30 GFEDMM CCCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000821128495 599304259 /nfs/dbraw/zinc/30/42/59/599304259.db2.gz VOLJUKJKZOQWIZ-UHFFFAOYSA-N -1 1 397.464 2.670 20 30 GFEDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000827379208 601085201 /nfs/dbraw/zinc/08/52/01/601085201.db2.gz DRDUQJCZALSQOD-INIZCTEOSA-N -1 1 393.443 2.972 20 30 GFEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000833074425 601326334 /nfs/dbraw/zinc/32/63/34/601326334.db2.gz XRTBSUQXNXPIHX-QFIPXVFZSA-N -1 1 391.471 2.851 20 30 GFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751142483 601484487 /nfs/dbraw/zinc/48/44/87/601484487.db2.gz LHPRFIVMVJRLPU-UHFFFAOYSA-N -1 1 385.319 2.615 20 30 GFEDMM Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832850039 601530556 /nfs/dbraw/zinc/53/05/56/601530556.db2.gz YTZZZSYJFAOTRF-KPZWWZAWSA-N -1 1 398.438 2.696 20 30 GFEDMM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c1C#N ZINC000832849704 601952089 /nfs/dbraw/zinc/95/20/89/601952089.db2.gz QEEAZPQLUDBCFZ-JOCHJYFZSA-N -1 1 394.475 2.760 20 30 GFEDMM N#CC(C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)c1ccc2ccccc2n1 ZINC000740304101 602213137 /nfs/dbraw/zinc/21/31/37/602213137.db2.gz QIGHBVJOUBKYEO-HNNXBMFYSA-N -1 1 390.403 2.631 20 30 GFEDMM Cc1csc(=NCCc2ccccn2)n1N=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826320383 607634084 /nfs/dbraw/zinc/63/40/84/607634084.db2.gz OPUDUMMQASIHQS-UHFFFAOYSA-N -1 1 396.505 2.520 20 30 GFEDMM N#Cc1cnc2ccccc2c1OCCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822842584 606177868 /nfs/dbraw/zinc/17/78/68/606177868.db2.gz OZFDEJJTGHWGAH-UHFFFAOYSA-N -1 1 392.400 2.584 20 30 GFEDMM N#Cc1cnc2ccccc2c1OCCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822842584 606177870 /nfs/dbraw/zinc/17/78/70/606177870.db2.gz OZFDEJJTGHWGAH-UHFFFAOYSA-N -1 1 392.400 2.584 20 30 GFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCC(O)CC2)cc1 ZINC000822924059 606391507 /nfs/dbraw/zinc/39/15/07/606391507.db2.gz WIPJGZVBXFLBAR-ALCCZGGFSA-N -1 1 381.461 2.785 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(O)ccc2Br)o1 ZINC000820202663 607251741 /nfs/dbraw/zinc/25/17/41/607251741.db2.gz IXTBBJGKLJAVCG-UHFFFAOYSA-N -1 1 392.217 2.892 20 30 GFEDMM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826104560 608092076 /nfs/dbraw/zinc/09/20/76/608092076.db2.gz ZGFZIHHTWBCGKQ-AYLMVEPYSA-N -1 1 384.417 2.765 20 30 GFEDMM COC(=O)[C@@H](C)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826104560 608092077 /nfs/dbraw/zinc/09/20/77/608092077.db2.gz ZGFZIHHTWBCGKQ-AYLMVEPYSA-N -1 1 384.417 2.765 20 30 GFEDMM O=C(C=Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400099 608092885 /nfs/dbraw/zinc/09/28/85/608092885.db2.gz PAQVUSIZYPQSLC-IWQZZHSRSA-N -1 1 392.400 2.943 20 30 GFEDMM O=C(C=Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400099 608092886 /nfs/dbraw/zinc/09/28/86/608092886.db2.gz PAQVUSIZYPQSLC-IWQZZHSRSA-N -1 1 392.400 2.943 20 30 GFEDMM N#Cc1cccc(COc2ccc(Nc3ccc(-c4nnn[n-]4)nn3)cc2F)c1 ZINC000826386727 608412463 /nfs/dbraw/zinc/41/24/63/608412463.db2.gz QLURDUJUCGVWSZ-UHFFFAOYSA-N -1 1 388.366 2.990 20 30 GFEDMM N#Cc1cccc(COc2ccc(Nc3ccc(-c4nn[n-]n4)nn3)cc2F)c1 ZINC000826386727 608412464 /nfs/dbraw/zinc/41/24/64/608412464.db2.gz QLURDUJUCGVWSZ-UHFFFAOYSA-N -1 1 388.366 2.990 20 30 GFEDMM C=CCC1(C[N-]S(=O)(=O)c2nc(C)n(C)c2Br)CCCC1 ZINC000832494220 660782682 /nfs/dbraw/zinc/78/26/82/660782682.db2.gz JLRINHVDFRSOPF-UHFFFAOYSA-N -1 1 376.320 2.906 20 30 GFEDMM C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Br)c([O-])c2)c1 ZINC000133189215 654955862 /nfs/dbraw/zinc/95/58/62/654955862.db2.gz PTTJBIOIDNRXEO-UHFFFAOYSA-N -1 1 387.233 2.847 20 30 GFEDMM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000178588309 655305444 /nfs/dbraw/zinc/30/54/44/655305444.db2.gz XOTCVQMMKUVIDC-UHFFFAOYSA-N -1 1 381.816 2.853 20 30 GFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=Cc2ccccc2Br)cc1 ZINC000746492564 655762543 /nfs/dbraw/zinc/76/25/43/655762543.db2.gz YOVOYAGDFXGKSM-UHFFFAOYSA-N -1 1 398.238 2.811 20 30 GFEDMM [O-]c1c(O)cc(C=NNC(=S)NCc2ccc(F)cc2)cc1Br ZINC000757567479 655913241 /nfs/dbraw/zinc/91/32/41/655913241.db2.gz ZLYAKAKMNOTTSD-UHFFFAOYSA-N -1 1 398.257 2.998 20 30 GFEDMM O=c1[nH]c(NN=Cc2cc(O)c([O-])c(Br)c2)nc2ccccc12 ZINC000757584197 655913388 /nfs/dbraw/zinc/91/33/88/655913388.db2.gz QLJMASLTXNVTID-UHFFFAOYSA-N -1 1 375.182 2.955 20 30 GFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000767385091 656201192 /nfs/dbraw/zinc/20/11/92/656201192.db2.gz LYBDJVFKWMXBTN-UHFFFAOYSA-N -1 1 394.356 2.773 20 30 GFEDMM COc1cc(Br)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c(OC)c1 ZINC000768483930 656240007 /nfs/dbraw/zinc/24/00/07/656240007.db2.gz MQNTYXAVCBNSSF-APHBUQMISA-N -1 1 395.205 2.695 20 30 GFEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@H]1CCCO1 ZINC000773051834 656397676 /nfs/dbraw/zinc/39/76/76/656397676.db2.gz BSBSADXKHOROMD-VXGBXAGGSA-N -1 1 396.665 2.701 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1Br ZINC000788479963 657727122 /nfs/dbraw/zinc/72/71/22/657727122.db2.gz FDHHYLFGHBAZCT-UHFFFAOYSA-N -1 1 397.210 2.612 20 30 GFEDMM C#CCn1ccc(CN(CCOC)Cc2cc(C)cc(Br)c2[O-])n1 ZINC000789760679 657888557 /nfs/dbraw/zinc/88/85/57/657888557.db2.gz CCPKZCCCXIPRAN-UHFFFAOYSA-N -1 1 392.297 2.941 20 30 GFEDMM C=CCCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000790450914 657983791 /nfs/dbraw/zinc/98/37/91/657983791.db2.gz NCEAIGQIZNQNBB-UHFFFAOYSA-N -1 1 380.235 2.619 20 30 GFEDMM N#CCc1cccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000795186467 658704681 /nfs/dbraw/zinc/70/46/81/658704681.db2.gz UZZCACHLVJRUMT-UHFFFAOYSA-N -1 1 381.251 2.699 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H](O)c2ccc(Cl)c(Cl)c2)o1 ZINC000805078299 659735747 /nfs/dbraw/zinc/73/57/47/659735747.db2.gz NCXHCPZJRGGCQD-ZDUSSCGKSA-N -1 1 375.233 2.860 20 30 GFEDMM C=CCC[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F ZINC000849426102 661722769 /nfs/dbraw/zinc/72/27/69/661722769.db2.gz PBUVSISULHXSEY-UHFFFAOYSA-N -1 1 380.235 2.619 20 30 GFEDMM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000859423495 662161607 /nfs/dbraw/zinc/16/16/07/662161607.db2.gz FRPVRNPGQKXZQW-SECBINFHSA-N -1 1 381.237 2.608 20 30 GFEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NNC(=S)NCC(F)(F)F)cs1 ZINC000872347125 662761284 /nfs/dbraw/zinc/76/12/84/662761284.db2.gz PQEGNVWWTJLVQU-UHFFFAOYSA-N -1 1 383.421 2.850 20 30 GFEDMM C[S@](=O)(=NS(=O)(=O)[N-]c1cc(C#N)c(F)cc1F)C1CCCCC1 ZINC000906073350 663921739 /nfs/dbraw/zinc/92/17/39/663921739.db2.gz GUPQMMFQPBBHNO-HSZRJFAPSA-N -1 1 377.438 2.924 20 30 GFEDMM CCCC(=O)C1=C(C(=O)OCC)NC(=S)N[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000921297901 664540487 /nfs/dbraw/zinc/54/04/87/664540487.db2.gz HVQRRXPMBDBCAP-CQSZACIVSA-N -1 1 382.869 2.751 20 30 GFEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000026547612 551121688 /nfs/dbraw/zinc/12/16/88/551121688.db2.gz BYZSEENTECEIQU-UHFFFAOYSA-N -1 1 378.475 2.692 20 30 GFEDMM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)no1 ZINC000186210050 552381460 /nfs/dbraw/zinc/38/14/60/552381460.db2.gz VTXHXOHOYXYYIZ-UHFFFAOYSA-N -1 1 383.857 2.993 20 30 GFEDMM N#Cc1ccc(C(=O)N(CCO)Cc2cc(Br)ccc2F)cc1[O-] ZINC000189033825 552461217 /nfs/dbraw/zinc/46/12/17/552461217.db2.gz CBXCIUXFMHEKDS-UHFFFAOYSA-N -1 1 393.212 2.800 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1Br ZINC000432777012 563593104 /nfs/dbraw/zinc/59/31/04/563593104.db2.gz SAHSBSFFKAQAPZ-UHFFFAOYSA-N -1 1 394.206 2.968 20 30 GFEDMM COC(=O)[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccc(Cl)cc1Cl ZINC000451390425 564308376 /nfs/dbraw/zinc/30/83/76/564308376.db2.gz CNVNLPILXRHERZ-CYBMUJFWSA-N -1 1 391.276 2.821 20 30 GFEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)c1 ZINC000476225151 564331155 /nfs/dbraw/zinc/33/11/55/564331155.db2.gz TWNICFXXIWYZMA-UHFFFAOYSA-N -1 1 378.475 2.908 20 30 GFEDMM C=CCC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000452138512 564396201 /nfs/dbraw/zinc/39/62/01/564396201.db2.gz JFWUENUEMNOUPD-UHFFFAOYSA-N -1 1 379.309 2.990 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2Cl)o1 ZINC000569952540 564486061 /nfs/dbraw/zinc/48/60/61/564486061.db2.gz NPJDUCBGUUDAMG-UHFFFAOYSA-N -1 1 375.233 2.953 20 30 GFEDMM Cc1c(Br)ccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000548587869 564564803 /nfs/dbraw/zinc/56/48/03/564564803.db2.gz BUHCROXBIDYELH-UHFFFAOYSA-N -1 1 396.222 2.523 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cccc(Br)c23)o1 ZINC000573141948 564624184 /nfs/dbraw/zinc/62/41/84/564624184.db2.gz XXFPPNMTYBUYBQ-UHFFFAOYSA-N -1 1 394.250 2.916 20 30 GFEDMM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Oc1ccc(Br)cc1 ZINC000573871899 564657959 /nfs/dbraw/zinc/65/79/59/564657959.db2.gz PHIIKSYVOWFAOZ-SNVBAGLBSA-N -1 1 385.239 2.660 20 30 GFEDMM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(Br)c([O-])c3)C2)nc1 ZINC000552903123 564704180 /nfs/dbraw/zinc/70/41/80/564704180.db2.gz YDFPFFYKWDNQMR-CYBMUJFWSA-N -1 1 388.221 2.715 20 30 GFEDMM Cc1c(Br)ccc(C(=O)[O-])c1NS(=O)(=O)c1cncc(C#N)c1 ZINC000555128948 564784623 /nfs/dbraw/zinc/78/46/23/564784623.db2.gz LIOQXCSRPMJYKR-UHFFFAOYSA-N -1 1 396.222 2.523 20 30 GFEDMM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)no1 ZINC000589308291 565160197 /nfs/dbraw/zinc/16/01/97/565160197.db2.gz BTDJNVLTZRGGIF-SNVBAGLBSA-N -1 1 384.845 2.559 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)c1 ZINC000617625984 565249552 /nfs/dbraw/zinc/24/95/52/565249552.db2.gz UEYCCMGACXSEDQ-AWEZNQCLSA-N -1 1 389.249 2.607 20 30 GFEDMM C=CCCSCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594818888 565425157 /nfs/dbraw/zinc/42/51/57/565425157.db2.gz UDPPWOVBBVAYCH-UHFFFAOYSA-N -1 1 381.878 2.853 20 30 GFEDMM N#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000603498336 565909024 /nfs/dbraw/zinc/90/90/24/565909024.db2.gz PSNBWTDWRAIGBG-UHFFFAOYSA-N -1 1 384.244 2.782 20 30 GFEDMM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000603976583 565920250 /nfs/dbraw/zinc/92/02/50/565920250.db2.gz HNMULMGGBYRNES-UHFFFAOYSA-N -1 1 380.809 2.564 20 30 GFEDMM COC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000609871443 566055858 /nfs/dbraw/zinc/05/58/58/566055858.db2.gz FHPWGNGNFLAKFB-UHFFFAOYSA-N -1 1 395.234 2.908 20 30 GFEDMM N#Cc1ccc([C@H](NCc2cccc(C(=O)NCc3ccco3)c2)C(=O)[O-])cc1 ZINC000739104409 600595064 /nfs/dbraw/zinc/59/50/64/600595064.db2.gz ADZJCOSIXXYJCD-FQEVSTJZSA-N -1 1 389.411 2.997 20 30 GFEDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000827379210 601084977 /nfs/dbraw/zinc/08/49/77/601084977.db2.gz DRDUQJCZALSQOD-MRXNPFEDSA-N -1 1 393.443 2.972 20 30 GFEDMM N#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833068300 602119657 /nfs/dbraw/zinc/11/96/57/602119657.db2.gz VOHAHIANYJAJIV-BAQGIRSFSA-N -1 1 376.365 2.627 20 30 GFEDMM C=CCc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c(OC)c1 ZINC000823937055 607576280 /nfs/dbraw/zinc/57/62/80/607576280.db2.gz GHCFEUOFJUWBFQ-UHFFFAOYSA-N -1 1 390.396 2.511 20 30 GFEDMM C=CCc1ccc(OS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(OC)c1 ZINC000823937055 607576282 /nfs/dbraw/zinc/57/62/82/607576282.db2.gz GHCFEUOFJUWBFQ-UHFFFAOYSA-N -1 1 390.396 2.511 20 30 GFEDMM N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1nnc2n1CCCCC2 ZINC000740303961 602670703 /nfs/dbraw/zinc/67/07/03/602670703.db2.gz OEZBGRCQUDIQAD-JKSUJKDBSA-N -1 1 381.436 2.970 20 30 GFEDMM N#Cc1cccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000826387380 607577804 /nfs/dbraw/zinc/57/78/04/607577804.db2.gz SDIYYZPMXSVOKV-UHFFFAOYSA-N -1 1 395.322 2.525 20 30 GFEDMM N#Cc1ccc(NC(=O)CN2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)cc1Cl ZINC000833975224 605447484 /nfs/dbraw/zinc/44/74/84/605447484.db2.gz LOKHXOOEQHOMNI-JGGQBBKZSA-N -1 1 376.844 2.518 20 30 GFEDMM N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])cc2)nc1 ZINC000822833871 606295688 /nfs/dbraw/zinc/29/56/88/606295688.db2.gz YMADARBOXLIUQA-UHFFFAOYSA-N -1 1 399.370 2.884 20 30 GFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(C(F)(F)F)c1 ZINC000822801267 606557233 /nfs/dbraw/zinc/55/72/33/606557233.db2.gz GSUFXTHDMYWKQA-SNVBAGLBSA-N -1 1 378.339 2.942 20 30 GFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(C(F)(F)F)c1 ZINC000822801267 606557235 /nfs/dbraw/zinc/55/72/35/606557235.db2.gz GSUFXTHDMYWKQA-SNVBAGLBSA-N -1 1 378.339 2.942 20 30 GFEDMM C#CC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000823838547 607938653 /nfs/dbraw/zinc/93/86/53/607938653.db2.gz QZNTUQXBGQYVDX-AWEZNQCLSA-N -1 1 387.852 2.563 20 30 GFEDMM C#CC[C@H](NS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000823838547 607938654 /nfs/dbraw/zinc/93/86/54/607938654.db2.gz QZNTUQXBGQYVDX-AWEZNQCLSA-N -1 1 387.852 2.563 20 30 GFEDMM CCOC(=O)[C@H]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C[C@@H]1C ZINC000825499795 607964771 /nfs/dbraw/zinc/96/47/71/607964771.db2.gz USSRIRHVLOSRCA-JQWIXIFHSA-N -1 1 375.433 2.745 20 30 GFEDMM CCOC(=O)[C@H]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C[C@H]1C ZINC000825499796 607964807 /nfs/dbraw/zinc/96/48/07/607964807.db2.gz USSRIRHVLOSRCA-PWSUYJOCSA-N -1 1 375.433 2.745 20 30 GFEDMM COc1ccc(C(C)N=Nc2oc(C)nc2-c2nn[n-]n2)c(Br)c1 ZINC000826188103 660451104 /nfs/dbraw/zinc/45/11/04/660451104.db2.gz NPTFUUQXGYBXOR-UHFFFAOYSA-N -1 1 392.217 2.770 20 30 GFEDMM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br ZINC000832169985 660760161 /nfs/dbraw/zinc/76/01/61/660760161.db2.gz BFTMAUSSQJDVBF-UHFFFAOYSA-N -1 1 394.262 2.865 20 30 GFEDMM C#CCN(CC(=O)NCc1cccc(Br)c1[O-])C(=O)OC(C)(C)C ZINC000834475700 660821880 /nfs/dbraw/zinc/82/18/80/660821880.db2.gz AUOJMRPWBBZLSE-UHFFFAOYSA-N -1 1 397.269 2.641 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1Br ZINC000579033475 655492213 /nfs/dbraw/zinc/49/22/13/655492213.db2.gz LTOIIJOHYCOILG-LLVKDONJSA-N -1 1 383.189 2.940 20 30 GFEDMM CSCC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000749446149 655805140 /nfs/dbraw/zinc/80/51/40/655805140.db2.gz AYGFSWQCEUNANE-UHFFFAOYSA-N -1 1 379.463 2.782 20 30 GFEDMM O=C1Nc2c(cccc2I)C1=N[N-]c1cncc(Cl)n1 ZINC000750937333 655818898 /nfs/dbraw/zinc/81/88/98/655818898.db2.gz JQCTYKSMBFHHPD-UHFFFAOYSA-N -1 1 399.579 2.503 20 30 GFEDMM N#Cc1ccc([O-])c(NC(=O)c2ccc(I)c(O)c2)c1 ZINC000760923387 655994717 /nfs/dbraw/zinc/99/47/17/655994717.db2.gz MYKSXYXVSYSING-UHFFFAOYSA-N -1 1 380.141 2.826 20 30 GFEDMM N#CCOc1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765732145 656149242 /nfs/dbraw/zinc/14/92/42/656149242.db2.gz QBTAOYSMBLKHNO-UHFFFAOYSA-N -1 1 375.222 2.916 20 30 GFEDMM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(Br)ccc1[O-] ZINC000783901589 657269700 /nfs/dbraw/zinc/26/97/00/657269700.db2.gz SITFNAJZCOIOOV-HNNXBMFYSA-N -1 1 384.230 2.750 20 30 GFEDMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c(F)cc1Cl ZINC000795293601 658802025 /nfs/dbraw/zinc/80/20/25/658802025.db2.gz LMCSZOGEBVKDDR-UHFFFAOYSA-N -1 1 382.800 2.616 20 30 GFEDMM CS(=O)(=O)N(Cc1ccccc1)N=Cc1cc(O)cc(Br)c1[O-] ZINC000814235784 660075144 /nfs/dbraw/zinc/07/51/44/660075144.db2.gz AENROXXNJPZKPU-UHFFFAOYSA-N -1 1 399.266 2.656 20 30 GFEDMM COCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1cccc(Cl)c1F ZINC000814798402 660096217 /nfs/dbraw/zinc/09/62/17/660096217.db2.gz DTIBFKMXJSXOHU-UHFFFAOYSA-N -1 1 381.816 2.568 20 30 GFEDMM N#Cc1cccc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)c1Br ZINC000841677667 661308632 /nfs/dbraw/zinc/30/86/32/661308632.db2.gz WOGLTNBIRXWMRO-UHFFFAOYSA-N -1 1 381.255 2.728 20 30 GFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)C1CCOCC1 ZINC000851829565 661836044 /nfs/dbraw/zinc/83/60/44/661836044.db2.gz NUNSYRWGNIZRDZ-VIFPVBQESA-N -1 1 398.731 2.871 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c1 ZINC000901771770 663745488 /nfs/dbraw/zinc/74/54/88/663745488.db2.gz IFLCPFNRQSQVIA-SNVBAGLBSA-N -1 1 387.177 2.581 20 30 GFEDMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000153988839 551465039 /nfs/dbraw/zinc/46/50/39/551465039.db2.gz WTDCGNWUYVGQFL-NRFANRHFSA-N -1 1 399.291 2.859 20 30 GFEDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000153988253 551465163 /nfs/dbraw/zinc/46/51/63/551465163.db2.gz AARGJNZQXLQPAS-UHFFFAOYSA-N -1 1 381.251 2.922 20 30 GFEDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 ZINC000295186930 563234087 /nfs/dbraw/zinc/23/40/87/563234087.db2.gz QORYOTCEVIZMMN-NXEZZACHSA-N -1 1 391.262 2.553 20 30 GFEDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H](O)C(C)C ZINC000416613142 563853779 /nfs/dbraw/zinc/85/37/79/563853779.db2.gz DHFMSVKYPQZYNH-OCCSQVGLSA-N -1 1 393.278 2.534 20 30 GFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000506817559 564211627 /nfs/dbraw/zinc/21/16/27/564211627.db2.gz GZXFLGFWGUSAFD-LLVKDONJSA-N -1 1 379.265 2.997 20 30 GFEDMM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451248535 564290877 /nfs/dbraw/zinc/29/08/77/564290877.db2.gz DEVKQJMSYREVPF-STQMWFEESA-N -1 1 391.262 2.696 20 30 GFEDMM C=CC[C@H](CC)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451490259 564318742 /nfs/dbraw/zinc/31/87/42/564318742.db2.gz LNBRZQKRUCMNNR-LBPRGKRZSA-N -1 1 378.491 2.610 20 30 GFEDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)cc1 ZINC000476227459 564331583 /nfs/dbraw/zinc/33/15/83/564331583.db2.gz ZLUXSQKTDXBQDM-UHFFFAOYSA-N -1 1 382.488 2.507 20 30 GFEDMM C=CCC[C@H]([N-]S(=O)(=O)Cc1ccccc1Br)C(=O)OCC ZINC000451996882 564378646 /nfs/dbraw/zinc/37/86/46/564378646.db2.gz QKQZGYZRUAJNAJ-AWEZNQCLSA-N -1 1 390.299 2.766 20 30 GFEDMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)[C@@H](O)C(F)(F)F ZINC000553870815 564742801 /nfs/dbraw/zinc/74/28/01/564742801.db2.gz ZIGUMOWIPUKCLX-GMSGAONNSA-N -1 1 399.284 2.704 20 30 GFEDMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000531321356 564906228 /nfs/dbraw/zinc/90/62/28/564906228.db2.gz DKCBGLXFUIYVPM-UHFFFAOYSA-N -1 1 378.475 2.688 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2Br)cc1C(F)(F)F ZINC000558628633 564910035 /nfs/dbraw/zinc/91/00/35/564910035.db2.gz OSOFDRPACVRXFO-UHFFFAOYSA-N -1 1 395.160 2.863 20 30 GFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000586753359 565112843 /nfs/dbraw/zinc/11/28/43/565112843.db2.gz URDBDJCOXMVSPA-JTQLQIEISA-N -1 1 379.265 2.997 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](CCO)c2ccccc2Br)c1 ZINC000589199588 565154597 /nfs/dbraw/zinc/15/45/97/565154597.db2.gz JEOOPWRLEPMJGF-MRXNPFEDSA-N -1 1 375.222 2.880 20 30 GFEDMM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000592115175 565258263 /nfs/dbraw/zinc/25/82/63/565258263.db2.gz RVAFUVPEVGKHRQ-WRWORJQWSA-N -1 1 379.276 2.632 20 30 GFEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N)[C@@H]1CCOC1 ZINC000594694300 565407554 /nfs/dbraw/zinc/40/75/54/565407554.db2.gz ILXLRSRZGSBUBN-IIAWOOMASA-N -1 1 384.523 2.732 20 30 GFEDMM CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594788145 565420187 /nfs/dbraw/zinc/42/01/87/565420187.db2.gz FQLSGOMKVZPPQK-LBPRGKRZSA-N -1 1 375.416 2.728 20 30 GFEDMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000611497933 566133781 /nfs/dbraw/zinc/13/37/81/566133781.db2.gz IPHWUPIELIDXRH-UHFFFAOYSA-N -1 1 377.853 2.691 20 30 GFEDMM CC(C)(C)c1ccc(CCCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)cc1 ZINC000735651386 598470943 /nfs/dbraw/zinc/47/09/43/598470943.db2.gz TWJSHSDXXXJPDE-UHFFFAOYSA-N -1 1 378.440 2.720 20 30 GFEDMM Cc1cc(-c2csc(=NC3CC3)n2N=Cc2ccc(-c3nnn[n-]3)o2)c(C)[nH]1 ZINC000737221095 599323826 /nfs/dbraw/zinc/32/38/26/599323826.db2.gz FSLNUKJQVHJDLA-UHFFFAOYSA-N -1 1 394.464 2.880 20 30 GFEDMM Cc1cc(-c2csc(=NC3CC3)n2N=Cc2ccc(-c3nn[n-]n3)o2)c(C)[nH]1 ZINC000737221095 599323828 /nfs/dbraw/zinc/32/38/28/599323828.db2.gz FSLNUKJQVHJDLA-UHFFFAOYSA-N -1 1 394.464 2.880 20 30 GFEDMM N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000833065329 601541917 /nfs/dbraw/zinc/54/19/17/601541917.db2.gz YGLQGNSPDRXDDQ-LAUBAEHRSA-N -1 1 398.422 2.908 20 30 GFEDMM N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1csc(CNC(=O)[O-])n1 ZINC000740303829 602728228 /nfs/dbraw/zinc/72/82/28/602728228.db2.gz MSEJDGBJXMJLBW-QMMMGPOBSA-N -1 1 378.797 2.525 20 30 GFEDMM N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1csc(CNC(=O)[O-])n1 ZINC000740303829 602728230 /nfs/dbraw/zinc/72/82/30/602728230.db2.gz MSEJDGBJXMJLBW-QMMMGPOBSA-N -1 1 378.797 2.525 20 30 GFEDMM COc1ccc(-c2nc(SC[C@H]3CCN(C(=O)[O-])C3)[nH]c(=O)c2C#N)cc1 ZINC000739884384 603373458 /nfs/dbraw/zinc/37/34/58/603373458.db2.gz SGTQRZBEXLGAON-NSHDSACASA-N -1 1 386.433 2.821 20 30 GFEDMM C[C@@H]1CCCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1CNC(=O)[O-] ZINC000825926195 603729436 /nfs/dbraw/zinc/72/94/36/603729436.db2.gz UVPNJCVNXBWNHX-SIIHOXLZSA-N -1 1 393.447 2.592 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)cc1C ZINC000830342248 604191981 /nfs/dbraw/zinc/19/19/81/604191981.db2.gz WWSGJAXINOJGFI-ROUUACIJSA-N -1 1 386.496 2.918 20 30 GFEDMM N#Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)[nH]1 ZINC000826384022 607741497 /nfs/dbraw/zinc/74/14/97/607741497.db2.gz CKAGRGGADRMQFY-UHFFFAOYSA-N -1 1 375.417 2.725 20 30 GFEDMM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(C(F)(F)F)c1 ZINC000822801264 606557188 /nfs/dbraw/zinc/55/71/88/606557188.db2.gz GSUFXTHDMYWKQA-JTQLQIEISA-N -1 1 378.339 2.942 20 30 GFEDMM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(C(F)(F)F)c1 ZINC000822801264 606557190 /nfs/dbraw/zinc/55/71/90/606557190.db2.gz GSUFXTHDMYWKQA-JTQLQIEISA-N -1 1 378.339 2.942 20 30 GFEDMM Cc1nc(C)c(-c2csc(=NC3CC3)n2N=Cc2ccc(-c3nnn[n-]3)o2)o1 ZINC000822427171 606987720 /nfs/dbraw/zinc/98/77/20/606987720.db2.gz DJHPXZUNOVWABZ-UHFFFAOYSA-N -1 1 396.436 2.540 20 30 GFEDMM Cc1nc(C)c(-c2csc(=NC3CC3)n2N=Cc2ccc(-c3nn[n-]n3)o2)o1 ZINC000822427171 606987721 /nfs/dbraw/zinc/98/77/21/606987721.db2.gz DJHPXZUNOVWABZ-UHFFFAOYSA-N -1 1 396.436 2.540 20 30 GFEDMM C=CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nc2sc(C)c(C)c2c1=O ZINC000823937280 607895043 /nfs/dbraw/zinc/89/50/43/607895043.db2.gz PVAKHYPINWCDTI-UHFFFAOYSA-N -1 1 397.489 2.987 20 30 GFEDMM C=CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nc2sc(C)c(C)c2c1=O ZINC000823937280 607895044 /nfs/dbraw/zinc/89/50/44/607895044.db2.gz PVAKHYPINWCDTI-UHFFFAOYSA-N -1 1 397.489 2.987 20 30 GFEDMM C=CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccccc1F ZINC000823937415 607895508 /nfs/dbraw/zinc/89/55/08/607895508.db2.gz WVZFHATWRRRBAJ-UHFFFAOYSA-N -1 1 380.412 2.997 20 30 GFEDMM C=CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccccc1F ZINC000823937415 607895509 /nfs/dbraw/zinc/89/55/09/607895509.db2.gz WVZFHATWRRRBAJ-UHFFFAOYSA-N -1 1 380.412 2.997 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cn(C)nc2-c2cccs2)o1 ZINC000824353237 608749081 /nfs/dbraw/zinc/74/90/81/608749081.db2.gz ZKAWOYSXKALSFG-UHFFFAOYSA-N -1 1 383.441 2.886 20 30 GFEDMM C=CC1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000823888773 609362178 /nfs/dbraw/zinc/36/21/78/609362178.db2.gz WFMDVQWKYADXBN-UHFFFAOYSA-N -1 1 382.403 2.621 20 30 GFEDMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)c1c[nH]c(C#N)c1 ZINC000826272139 609432878 /nfs/dbraw/zinc/43/28/78/609432878.db2.gz WCDLSHPWPNTDHM-UHFFFAOYSA-N -1 1 386.375 2.815 20 30 GFEDMM C=CCC1(O)CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000717887521 655523931 /nfs/dbraw/zinc/52/39/31/655523931.db2.gz IPSZUXOPUHOECR-UHFFFAOYSA-N -1 1 387.217 2.540 20 30 GFEDMM Cc1cc(C)n(C2N=NC(=S)N2N=Cc2ccc([O-])c(Br)c2)n1 ZINC000730567415 655576544 /nfs/dbraw/zinc/57/65/44/655576544.db2.gz ARJREJGBCHTZON-UHFFFAOYSA-N -1 1 393.270 2.720 20 30 GFEDMM CC1=C(C(=O)C=Cc2ccc([O-])c(Br)c2)[C@H](C)N2NN=NC2=N1 ZINC000752882528 655847731 /nfs/dbraw/zinc/84/77/31/655847731.db2.gz MXDGQOJKMRSMJO-DNQSNQRASA-N -1 1 376.214 2.957 20 30 GFEDMM Cn1nc(Br)c2c1ncnc2N=NCc1cccc(Cl)c1[O-] ZINC000753165948 655851159 /nfs/dbraw/zinc/85/11/59/655851159.db2.gz SKODZTFFRUUOQF-UHFFFAOYSA-N -1 1 381.621 2.931 20 30 GFEDMM CC(N=Nc1ncnc2c1c(Br)nn2C)c1cc(F)cc(F)c1[O-] ZINC000757461130 655911807 /nfs/dbraw/zinc/91/18/07/655911807.db2.gz KHLUWGOYTXIFTM-UHFFFAOYSA-N -1 1 397.183 2.946 20 30 GFEDMM O=C([O-])Cn1cc(C=NNc2c(Cl)cc(Br)cc2Cl)nn1 ZINC000768485570 656240022 /nfs/dbraw/zinc/24/00/22/656240022.db2.gz RUMGQNIPFCUJPX-UHFFFAOYSA-N -1 1 393.028 2.878 20 30 GFEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000841526646 661290158 /nfs/dbraw/zinc/29/01/58/661290158.db2.gz LGTJUVILPCIMNY-KGLIPLIRSA-N -1 1 391.848 2.668 20 30 GFEDMM CO[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000805003101 659711086 /nfs/dbraw/zinc/71/10/86/659711086.db2.gz JOVOABSSUQVXDH-MRVPVSSYSA-N -1 1 385.257 2.580 20 30 GFEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000805139535 659749087 /nfs/dbraw/zinc/74/90/87/659749087.db2.gz XHXPSNKPUTYHKQ-UHFFFAOYSA-N -1 1 390.259 2.966 20 30 GFEDMM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 ZINC000809821285 659943441 /nfs/dbraw/zinc/94/34/41/659943441.db2.gz POOUBNWMVBLJPX-UHFFFAOYSA-N -1 1 387.751 2.877 20 30 GFEDMM O=C([N-]CC1(C(F)(F)F)CC1)C(F)(F)C(=O)NCC1(C(F)(F)F)CC1 ZINC000865994107 662455702 /nfs/dbraw/zinc/45/57/02/662455702.db2.gz IHLVUHIAZVKTFT-UHFFFAOYSA-N -1 1 382.251 2.539 20 30 GFEDMM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000425179244 563407856 /nfs/dbraw/zinc/40/78/56/563407856.db2.gz PAEVYJZNNYDBMJ-UFBFGSQYSA-N -1 1 382.226 2.597 20 30 GFEDMM CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331607475 563555011 /nfs/dbraw/zinc/55/50/11/563555011.db2.gz VXZDWVPXKBDVHE-HOCLYGCPSA-N -1 1 383.832 2.667 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)c(Cl)c1 ZINC000436476058 563671413 /nfs/dbraw/zinc/67/14/13/563671413.db2.gz IQEGEFVTKVVZPO-UHFFFAOYSA-N -1 1 377.788 2.937 20 30 GFEDMM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000416623124 563854202 /nfs/dbraw/zinc/85/42/02/563854202.db2.gz LYZRNGUHIDEUMF-UHFFFAOYSA-N -1 1 393.278 2.942 20 30 GFEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000540293478 564244596 /nfs/dbraw/zinc/24/45/96/564244596.db2.gz WGFPAWPSKZTDDK-UHFFFAOYSA-N -1 1 398.893 2.866 20 30 GFEDMM COc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)ccc1[N-]S(C)(=O)=O ZINC000543633458 564357415 /nfs/dbraw/zinc/35/74/15/564357415.db2.gz KDJUMZBNOPJRLC-UHFFFAOYSA-N -1 1 379.825 2.844 20 30 GFEDMM CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)[C@H](O)C(F)(F)F ZINC000553870819 564742807 /nfs/dbraw/zinc/74/28/07/564742807.db2.gz ZIGUMOWIPUKCLX-XCBNKYQSSA-N -1 1 399.284 2.704 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)c1 ZINC000590497569 565190157 /nfs/dbraw/zinc/19/01/57/565190157.db2.gz RMSIXBXCMLIFMP-UHFFFAOYSA-N -1 1 383.205 2.886 20 30 GFEDMM CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594788141 565420479 /nfs/dbraw/zinc/42/04/79/565420479.db2.gz FQLSGOMKVZPPQK-GFCCVEGCSA-N -1 1 375.416 2.728 20 30 GFEDMM C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000735426800 598873471 /nfs/dbraw/zinc/87/34/71/598873471.db2.gz XMTNQNSBKNGGCT-UHFFFAOYSA-N -1 1 389.868 2.897 20 30 GFEDMM C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000735426800 598873473 /nfs/dbraw/zinc/87/34/73/598873473.db2.gz XMTNQNSBKNGGCT-UHFFFAOYSA-N -1 1 389.868 2.897 20 30 GFEDMM C=CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)Cc1cccc(C#N)c1 ZINC000819740110 607363849 /nfs/dbraw/zinc/36/38/49/607363849.db2.gz PHNQPJYICMFELM-UHFFFAOYSA-N -1 1 391.435 2.575 20 30 GFEDMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000822152977 607376236 /nfs/dbraw/zinc/37/62/36/607376236.db2.gz JYFNLNWIYGFODP-UHFFFAOYSA-N -1 1 398.448 2.635 20 30 GFEDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000827379262 601093845 /nfs/dbraw/zinc/09/38/45/601093845.db2.gz FEUHRGYXFGKSNF-INIZCTEOSA-N -1 1 392.459 2.923 20 30 GFEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)c1C#N ZINC000832849935 601938754 /nfs/dbraw/zinc/93/87/54/601938754.db2.gz SXFMZZYRWKUQNI-NRFANRHFSA-N -1 1 380.448 2.701 20 30 GFEDMM C[C@@H]1CCCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H]1CNC(=O)[O-] ZINC000825926194 603729794 /nfs/dbraw/zinc/72/97/94/603729794.db2.gz UVPNJCVNXBWNHX-QIIPPGSGSA-N -1 1 393.447 2.592 20 30 GFEDMM N#Cc1cccc(-c2nnc(CN3CCC[C@@H]([C@@H]4CCCN4C(=O)[O-])C3)o2)c1 ZINC000831146063 604038361 /nfs/dbraw/zinc/03/83/61/604038361.db2.gz HSSKRRXQFVUQFP-SJORKVTESA-N -1 1 381.436 2.963 20 30 GFEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000833402239 605598036 /nfs/dbraw/zinc/59/80/36/605598036.db2.gz GMOWLILZCHNPSC-ZDUSSCGKSA-N -1 1 390.417 2.632 20 30 GFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000822922345 606393051 /nfs/dbraw/zinc/39/30/51/606393051.db2.gz FSSXAJHXJOVSFD-CLTKARDFSA-N -1 1 396.400 2.821 20 30 GFEDMM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(Br)c1 ZINC000822801842 606543315 /nfs/dbraw/zinc/54/33/15/606543315.db2.gz PLQKABGEAHSXEU-JTQLQIEISA-N -1 1 389.238 2.685 20 30 GFEDMM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1cccc(Br)c1 ZINC000822801842 606543317 /nfs/dbraw/zinc/54/33/17/606543317.db2.gz PLQKABGEAHSXEU-JTQLQIEISA-N -1 1 389.238 2.685 20 30 GFEDMM N#Cc1ccc(C=C2COCC(=Cc3ccc(-c4nn[n-]n4)s3)C2=O)s1 ZINC000822825424 607098818 /nfs/dbraw/zinc/09/88/18/607098818.db2.gz FGAALPWCAGNKPV-NJWBCTSZSA-N -1 1 381.442 2.928 20 30 GFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826264167 607865422 /nfs/dbraw/zinc/86/54/22/607865422.db2.gz DVVYWMYFSZQVIX-UHFFFAOYSA-N -1 1 394.410 2.948 20 30 GFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826264167 607865423 /nfs/dbraw/zinc/86/54/23/607865423.db2.gz DVVYWMYFSZQVIX-UHFFFAOYSA-N -1 1 394.410 2.948 20 30 GFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])cc1OC ZINC000826178917 608091979 /nfs/dbraw/zinc/09/19/79/608091979.db2.gz QZBZEAIMRNKOTM-ONEGZZNKSA-N -1 1 387.377 2.750 20 30 GFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c([N+](=O)[O-])cc1OC ZINC000826178917 608091980 /nfs/dbraw/zinc/09/19/80/608091980.db2.gz QZBZEAIMRNKOTM-ONEGZZNKSA-N -1 1 387.377 2.750 20 30 GFEDMM N#Cc1ccc(Cl)cc1N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000826385614 608366434 /nfs/dbraw/zinc/36/64/34/608366434.db2.gz UHGYCWBEAOPNSX-UHFFFAOYSA-N -1 1 396.842 2.584 20 30 GFEDMM CSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000830563885 660664479 /nfs/dbraw/zinc/66/44/79/660664479.db2.gz MXHGEBJWGRTDSD-MRVPVSSYSA-N -1 1 381.292 2.880 20 30 GFEDMM O=C(Nc1nc[nH]n1)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000023141868 654536321 /nfs/dbraw/zinc/53/63/21/654536321.db2.gz BZMHBMBNESEAAB-UHFFFAOYSA-N -1 1 377.813 2.895 20 30 GFEDMM N#C[C@H](C(=O)[C@H]1CSCCS1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000128424547 654846476 /nfs/dbraw/zinc/84/64/76/654846476.db2.gz ZFRCGBUSNBWTIR-ZYHUDNBSSA-N -1 1 391.543 2.888 20 30 GFEDMM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000135379297 655014834 /nfs/dbraw/zinc/01/48/34/655014834.db2.gz NNOGIKQNJABFQW-UHFFFAOYSA-N -1 1 388.829 2.555 20 30 GFEDMM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000272876220 655123904 /nfs/dbraw/zinc/12/39/04/655123904.db2.gz ULLCFPCZHFMQNZ-UHFFFAOYSA-N -1 1 392.713 2.526 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1Br ZINC000579033476 655492183 /nfs/dbraw/zinc/49/21/83/655492183.db2.gz LTOIIJOHYCOILG-NSHDSACASA-N -1 1 383.189 2.940 20 30 GFEDMM Cc1cc(CN=Nc2ccc(S(=O)(=O)[N-]c3nncs3)cc2)c(C)[nH]1 ZINC000751135097 655821960 /nfs/dbraw/zinc/82/19/60/655821960.db2.gz SPGNTMCMEXPAKQ-UHFFFAOYSA-N -1 1 376.467 2.730 20 30 GFEDMM N#Cc1cc(F)ccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766207970 656165260 /nfs/dbraw/zinc/16/52/60/656165260.db2.gz TWARFQUKFUXZNE-UHFFFAOYSA-N -1 1 385.214 2.644 20 30 GFEDMM Cc1ccc(Nc2nc(Cl)c(C=Nn3c(=O)cn[n-]c3=S)s2)cc1 ZINC000766475702 656172535 /nfs/dbraw/zinc/17/25/35/656172535.db2.gz XHJSMMPRIOZPEP-UHFFFAOYSA-N -1 1 378.870 2.971 20 30 GFEDMM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=Nn1c(=O)cn[n-]c1=S ZINC000766478279 656172552 /nfs/dbraw/zinc/17/25/52/656172552.db2.gz ORALJCVGWUJZFL-UHFFFAOYSA-N -1 1 395.275 2.669 20 30 GFEDMM O=c1cn[n-]c(=S)n1N=Cc1csc(-c2cccc(Br)c2)n1 ZINC000766483057 656172729 /nfs/dbraw/zinc/17/27/29/656172729.db2.gz SHOLYSXXDNJOQB-UHFFFAOYSA-N -1 1 394.279 2.695 20 30 GFEDMM COc1cc(Br)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c(OC)c1 ZINC000768483940 656239987 /nfs/dbraw/zinc/23/99/87/656239987.db2.gz MQNTYXAVCBNSSF-YIEVGGLXSA-N -1 1 395.205 2.695 20 30 GFEDMM CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000768902732 656259831 /nfs/dbraw/zinc/25/98/31/656259831.db2.gz YGLCZLJBVJQBAO-UHFFFAOYSA-N -1 1 375.837 2.921 20 30 GFEDMM Cc1cc(Br)cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC000773035886 656397504 /nfs/dbraw/zinc/39/75/04/656397504.db2.gz YICQYRUWJFEVRI-UHFFFAOYSA-N -1 1 378.251 2.830 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(I)c2)c(=O)o1 ZINC000789126339 657821401 /nfs/dbraw/zinc/82/14/01/657821401.db2.gz FYGHKTZHTDGIPF-GXMNPTEKSA-N -1 1 382.153 2.519 20 30 GFEDMM COc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)ccc1O ZINC000797820486 659054675 /nfs/dbraw/zinc/05/46/75/659054675.db2.gz ZYXGUEKHRMPXBL-UHFFFAOYSA-N -1 1 383.223 2.836 20 30 GFEDMM C#CCONC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000812785371 660034700 /nfs/dbraw/zinc/03/47/00/660034700.db2.gz MXDIYIPSBQOVSH-UHFFFAOYSA-N -1 1 382.800 2.575 20 30 GFEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CCOCC1 ZINC000851827164 661835641 /nfs/dbraw/zinc/83/56/41/661835641.db2.gz GSKITYRYECZWQV-LLVKDONJSA-N -1 1 393.248 2.608 20 30 GFEDMM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000859423888 662161557 /nfs/dbraw/zinc/16/15/57/662161557.db2.gz LNNVNNLUVUTCRP-SNVBAGLBSA-N -1 1 398.681 2.948 20 30 GFEDMM O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1ccc2n[n-]c(=S)n2c1 ZINC000899094347 663675275 /nfs/dbraw/zinc/67/52/75/663675275.db2.gz MJYZEULLZPFEAH-UHFFFAOYSA-N -1 1 376.257 2.581 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C#N)c1F ZINC000914221626 664387385 /nfs/dbraw/zinc/38/73/85/664387385.db2.gz VWXUNQJIYMGING-SCZZXKLOSA-N -1 1 377.235 2.567 20 30 GFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(F)c(Br)c2)c2ccccc21 ZINC000914600384 664412696 /nfs/dbraw/zinc/41/26/96/664412696.db2.gz SLWBVWMXZVDWBN-UHFFFAOYSA-N -1 1 382.214 2.661 20 30 GFEDMM C[C@]1(c2ccccc2)NC(=O)N(N=Cc2ccc([O-])c(Br)c2)C1=O ZINC000916327564 664457547 /nfs/dbraw/zinc/45/75/47/664457547.db2.gz KOYZIJLLOIRLRJ-QGZVFWFLSA-N -1 1 388.221 2.956 20 30 GFEDMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)ccc21 ZINC000010515078 551105556 /nfs/dbraw/zinc/10/55/56/551105556.db2.gz PMOWQVOYPAXAGF-UHFFFAOYSA-N -1 1 375.837 2.921 20 30 GFEDMM CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000121607440 551238086 /nfs/dbraw/zinc/23/80/86/551238086.db2.gz LWDMRYZBXHOVIF-UHFFFAOYSA-N -1 1 377.853 2.643 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1 ZINC000175915269 552132194 /nfs/dbraw/zinc/13/21/94/552132194.db2.gz MICVVABMFPWQDF-UHFFFAOYSA-N -1 1 395.234 2.893 20 30 GFEDMM N#CC(=C([O-])c1cnn2cc(Br)cnc12)c1nc2ccccc2[nH]1 ZINC000179962909 552208178 /nfs/dbraw/zinc/20/81/78/552208178.db2.gz XMCLJAAUTUSIMY-SNVBAGLBSA-N -1 1 381.193 2.858 20 30 GFEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000376328196 563438218 /nfs/dbraw/zinc/43/82/18/563438218.db2.gz QHHOGSWFPHXLES-SECBINFHSA-N -1 1 378.797 2.894 20 30 GFEDMM CCCS(=O)(=O)N1CCC(NC(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000331266056 563543047 /nfs/dbraw/zinc/54/30/47/563543047.db2.gz HMIRMLHBLVPHFI-UHFFFAOYSA-N -1 1 390.889 2.563 20 30 GFEDMM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432766263 563592377 /nfs/dbraw/zinc/59/23/77/563592377.db2.gz GDVKTLNIONZGRP-OAQYLSRUSA-N -1 1 399.291 2.859 20 30 GFEDMM COc1ccc(Br)cc1[C@H](NCc1cc(C#N)n(C)c1)C(=O)[O-] ZINC000417568513 563884097 /nfs/dbraw/zinc/88/40/97/563884097.db2.gz TXQGDDBGWTVILL-HNNXBMFYSA-N -1 1 378.226 2.583 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCSC2)cc1Br ZINC000451277404 564294554 /nfs/dbraw/zinc/29/45/54/564294554.db2.gz RSOVQJCRONIEAX-VIFPVBQESA-N -1 1 379.276 2.634 20 30 GFEDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H]1CCCO1 ZINC000451344692 564302825 /nfs/dbraw/zinc/30/28/25/564302825.db2.gz RAGRZHMSPYIXBZ-OLZOCXBDSA-N -1 1 391.262 2.696 20 30 GFEDMM COCCC1([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1 ZINC000451484172 564318325 /nfs/dbraw/zinc/31/83/25/564318325.db2.gz GCZXTOZQZKLIQE-UHFFFAOYSA-N -1 1 391.262 2.697 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccsc2)cc1Br ZINC000571362554 564547782 /nfs/dbraw/zinc/54/77/82/564547782.db2.gz MRIPEOVYGRWIIC-UHFFFAOYSA-N -1 1 375.244 3.000 20 30 GFEDMM C=CCSc1ccccc1C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000461457596 564798123 /nfs/dbraw/zinc/79/81/23/564798123.db2.gz RSNJSMOZWCCCEW-UHFFFAOYSA-N -1 1 378.475 2.831 20 30 GFEDMM C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2ccsc2C#N)CC1 ZINC000593567178 565343013 /nfs/dbraw/zinc/34/30/13/565343013.db2.gz OGYBTHJTGLRFEM-CYBMUJFWSA-N -1 1 376.507 2.519 20 30 GFEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N)[C@@H]1CCOC1 ZINC000594695006 565408603 /nfs/dbraw/zinc/40/86/03/565408603.db2.gz PIFRHWKFZNJNMJ-SQWLQELKSA-N -1 1 384.523 2.874 20 30 GFEDMM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)O1 ZINC000594851942 565429545 /nfs/dbraw/zinc/42/95/45/565429545.db2.gz NFAAFYHEAVYHIO-ONGXEEELSA-N -1 1 391.262 2.696 20 30 GFEDMM C=CCN(C(=O)c1cc(I)ccc1[O-])[C@@H](C)COC ZINC000597953866 565585124 /nfs/dbraw/zinc/58/51/24/565585124.db2.gz CCLWIVBSXMHJMU-JTQLQIEISA-N -1 1 375.206 2.660 20 30 GFEDMM N#CCc1ccc(Oc2ccc(C(=O)N=c3cc[nH]cc3-c3nn[n-]n3)cc2)cc1 ZINC000737698008 599256108 /nfs/dbraw/zinc/25/61/08/599256108.db2.gz QPTODEAEMMBFTG-UHFFFAOYSA-N -1 1 397.398 2.794 20 30 GFEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000819835805 597645780 /nfs/dbraw/zinc/64/57/80/597645780.db2.gz YGKCSYFBSZLREX-IBGZPJMESA-N -1 1 377.872 2.673 20 30 GFEDMM COCCOc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC000737011156 598419867 /nfs/dbraw/zinc/41/98/67/598419867.db2.gz NQUOJAFEZSIXHU-UHFFFAOYSA-N -1 1 385.428 2.623 20 30 GFEDMM N#Cc1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3cc(Cl)ccc32)c(F)c1 ZINC000737717600 598721284 /nfs/dbraw/zinc/72/12/84/598721284.db2.gz HNXNAIYESDFJOY-UHFFFAOYSA-N -1 1 380.770 2.894 20 30 GFEDMM C=CCN(Cc1ccccc1F)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000819745480 599339644 /nfs/dbraw/zinc/33/96/44/599339644.db2.gz FXINGCOZWSTCLV-UHFFFAOYSA-N -1 1 391.403 2.522 20 30 GFEDMM C=CCN(Cc1ccccc1F)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000819745480 599339646 /nfs/dbraw/zinc/33/96/46/599339646.db2.gz FXINGCOZWSTCLV-UHFFFAOYSA-N -1 1 391.403 2.522 20 30 GFEDMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C1(C#N)CCC1 ZINC000737280819 599373779 /nfs/dbraw/zinc/37/37/79/599373779.db2.gz SZPYGFYSNVAOQQ-UHFFFAOYSA-N -1 1 375.392 2.995 20 30 GFEDMM COc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2OC(F)F)cc1C(=O)[O-] ZINC000556477351 600544579 /nfs/dbraw/zinc/54/45/79/600544579.db2.gz MASRZJNMSQTDPI-UHFFFAOYSA-N -1 1 398.343 2.667 20 30 GFEDMM C[C@H](NC(=O)[O-])[C@H]1CCCCN1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000739012734 602263524 /nfs/dbraw/zinc/26/35/24/602263524.db2.gz WCSXJQBIVZCYJT-YSVLISHTSA-N -1 1 393.447 2.734 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC(CN(C)C(=O)[O-])CC2)cc1 ZINC000740130312 602382627 /nfs/dbraw/zinc/38/26/27/602382627.db2.gz MTXNBLRJFKDVPP-QGZVFWFLSA-N -1 1 386.496 2.952 20 30 GFEDMM C=CCc1ccc(OS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c(OC)c1 ZINC000823937213 607576059 /nfs/dbraw/zinc/57/60/59/607576059.db2.gz MPSQPGSSQIUGSI-UHFFFAOYSA-N -1 1 386.433 2.680 20 30 GFEDMM COc1ccccc1N=c1scc(C)n1N=Cc1ccc(-c2nnn[n-]2)o1 ZINC000826220639 607634145 /nfs/dbraw/zinc/63/41/45/607634145.db2.gz UTZSYWHUFPJHKS-UHFFFAOYSA-N -1 1 381.421 2.754 20 30 GFEDMM COc1ccccc1N=c1scc(C)n1N=Cc1ccc(-c2nn[n-]n2)o1 ZINC000826220639 607634146 /nfs/dbraw/zinc/63/41/46/607634146.db2.gz UTZSYWHUFPJHKS-UHFFFAOYSA-N -1 1 381.421 2.754 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)cc1C(F)(F)F ZINC000831141023 603590675 /nfs/dbraw/zinc/59/06/75/603590675.db2.gz AULOQBKBIJILFP-UHFFFAOYSA-N -1 1 386.311 2.863 20 30 GFEDMM N#Cc1ccc(-c2nnc(CN3CCC[C@@H]([C@@H]4CCCN4C(=O)[O-])C3)o2)cc1 ZINC000831117667 604038237 /nfs/dbraw/zinc/03/82/37/604038237.db2.gz CAJGHJIABQJVAB-SJORKVTESA-N -1 1 381.436 2.963 20 30 GFEDMM COc1ccc(NC(=O)C(C#N)C(=O)c2ccc(CNC(=O)[O-])o2)cc1Cl ZINC000829441828 604221923 /nfs/dbraw/zinc/22/19/23/604221923.db2.gz IPKDQFKPIIJUAO-NSHDSACASA-N -1 1 391.767 2.670 20 30 GFEDMM Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)c1C#N ZINC000832849715 604744250 /nfs/dbraw/zinc/74/42/50/604744250.db2.gz QJWNVNDLZYYGMI-ZDUSSCGKSA-N -1 1 398.463 2.742 20 30 GFEDMM C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000833405338 605038669 /nfs/dbraw/zinc/03/86/69/605038669.db2.gz DQZZSVDHEHELRO-JTQLQIEISA-N -1 1 389.355 2.873 20 30 GFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833366044 605123812 /nfs/dbraw/zinc/12/38/12/605123812.db2.gz CMDLWICZDAWIBI-UHFFFAOYSA-N -1 1 389.404 2.755 20 30 GFEDMM C=CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000819745489 606841682 /nfs/dbraw/zinc/84/16/82/606841682.db2.gz GCXKWQJFNXGICQ-UHFFFAOYSA-N -1 1 391.403 2.522 20 30 GFEDMM N#CCSc1ccccc1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000826381938 607863851 /nfs/dbraw/zinc/86/38/51/607863851.db2.gz GYPGOFBSCHMOHI-UHFFFAOYSA-N -1 1 384.396 2.639 20 30 GFEDMM N#CCSc1ccccc1NC(=O)COc1cccc(F)c1-c1nn[n-]n1 ZINC000826381938 607863852 /nfs/dbraw/zinc/86/38/52/607863852.db2.gz GYPGOFBSCHMOHI-UHFFFAOYSA-N -1 1 384.396 2.639 20 30 GFEDMM Cc1cc(C)n(N=Cc2nc(-c3ccccc3)cs2)c(=O)c1-c1nn[n-]n1 ZINC000826265912 607885427 /nfs/dbraw/zinc/88/54/27/607885427.db2.gz SSTKIPYQHLPQBZ-UHFFFAOYSA-N -1 1 377.433 2.651 20 30 GFEDMM COc1cc2c(c(CN=Nc3oc(C(C)C)nc3-c3nn[n-]n3)c1)O[C@@H](C)C2 ZINC000826178610 607886721 /nfs/dbraw/zinc/88/67/21/607886721.db2.gz FFLPZAUUTHEBBS-JTQLQIEISA-N -1 1 383.412 2.756 20 30 GFEDMM Cc1cc(C)n(N=Cc2c(Cl)ccc3cccnc32)c(=O)c1-c1nn[n-]n1 ZINC000826265094 609276351 /nfs/dbraw/zinc/27/63/51/609276351.db2.gz LNCCOLGACRBCAQ-UHFFFAOYSA-N -1 1 379.811 2.729 20 30 GFEDMM C=C(C)[C@H](CC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)OCC ZINC000823872840 609286189 /nfs/dbraw/zinc/28/61/89/609286189.db2.gz FECNFZSETQQXQY-AWEZNQCLSA-N -1 1 385.403 2.501 20 30 GFEDMM N#CCc1cccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)c1 ZINC000826382491 609289459 /nfs/dbraw/zinc/28/94/59/609289459.db2.gz GZIDSBSPROKEHD-UHFFFAOYSA-N -1 1 388.366 2.510 20 30 GFEDMM Cn1cc(C=C2Oc3cc([O-])ccc3C2=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826359374 609309769 /nfs/dbraw/zinc/30/97/69/609309769.db2.gz FEWKJDXVELMTSA-CAOOACKPSA-N -1 1 386.371 2.589 20 30 GFEDMM Cc1cc(Br)c([O-])c(C=NNCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826256655 609374139 /nfs/dbraw/zinc/37/41/39/609374139.db2.gz UHVVOZOSJUEWAA-UHFFFAOYSA-N -1 1 387.241 2.767 20 30 GFEDMM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000116905272 655256700 /nfs/dbraw/zinc/25/67/00/655256700.db2.gz JOSUYPYJHSPEMI-QMMMGPOBSA-N -1 1 380.235 2.618 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1cccc(Br)c1 ZINC000748255245 655789077 /nfs/dbraw/zinc/78/90/77/655789077.db2.gz SMCGOAAVDFKQTI-UHFFFAOYSA-N -1 1 384.211 2.670 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(Br)s1 ZINC000748252676 655789080 /nfs/dbraw/zinc/78/90/80/655789080.db2.gz GYTWQQXRAAOMLF-UHFFFAOYSA-N -1 1 390.240 2.731 20 30 GFEDMM N#Cc1cccc(NC(=O)COC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000750553232 655815240 /nfs/dbraw/zinc/81/52/40/655815240.db2.gz YZVSZQLLMHVTTA-UHFFFAOYSA-N -1 1 375.178 2.822 20 30 GFEDMM C[C@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1O ZINC000785404775 657361759 /nfs/dbraw/zinc/36/17/59/657361759.db2.gz JOIIXYQQFJEMOH-SNVBAGLBSA-N -1 1 380.809 2.915 20 30 GFEDMM COc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cnc1Br ZINC000788351029 657700042 /nfs/dbraw/zinc/70/00/42/657700042.db2.gz WUOLTPZDFIIKHU-LLVKDONJSA-N -1 1 390.241 2.661 20 30 GFEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1Cl ZINC000788433962 657716901 /nfs/dbraw/zinc/71/69/01/657716901.db2.gz NUEIDKFLAQAZJG-UHFFFAOYSA-N -1 1 378.797 2.822 20 30 GFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1C)c1ccc(Cl)cc1F ZINC000796084517 658887499 /nfs/dbraw/zinc/88/74/99/658887499.db2.gz MDWVOPKIEYLDRD-ZDUSSCGKSA-N -1 1 385.800 2.820 20 30 GFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnn2c1OCCC2 ZINC000796744302 658936429 /nfs/dbraw/zinc/93/64/29/658936429.db2.gz HXWNXGYWYMGPAK-SNVBAGLBSA-N -1 1 379.203 2.934 20 30 GFEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)ccc1O ZINC000797820389 659054653 /nfs/dbraw/zinc/05/46/53/659054653.db2.gz VLNNJZSGTIXFNC-UHFFFAOYSA-N -1 1 383.223 2.836 20 30 GFEDMM C[S@](=O)(=NS(=O)(=O)[N-]C1(c2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000882007062 663013311 /nfs/dbraw/zinc/01/33/11/663013311.db2.gz FNTSTFWNVCOYKU-XMMPIXPASA-N -1 1 381.523 2.812 20 30 GFEDMM C=C(C)CCNS(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000907225032 664013432 /nfs/dbraw/zinc/01/34/32/664013432.db2.gz MHQNQVZLTGIVDT-UHFFFAOYSA-N -1 1 378.416 2.542 20 30 GFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)C(=O)OCC ZINC000918544753 664500861 /nfs/dbraw/zinc/50/08/61/664500861.db2.gz UUEFOBLVICTLAM-INIZCTEOSA-N -1 1 384.885 2.669 20 30 GFEDMM C#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1Cl ZINC000018837862 209173731 /nfs/dbraw/zinc/17/37/31/209173731.db2.gz XPCHILRBGOHDAQ-UHFFFAOYSA-N -1 1 392.864 2.903 20 30 GFEDMM CN1Cc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2NC1=O ZINC000187064777 552406081 /nfs/dbraw/zinc/40/60/81/552406081.db2.gz CRQFYPQVGFCAQT-UHFFFAOYSA-N -1 1 376.825 2.990 20 30 GFEDMM O=S(=O)([N-][C@]1(C(F)(F)F)CCOC1)c1ccc(C(F)(F)F)c(F)c1 ZINC000330582044 563511832 /nfs/dbraw/zinc/51/18/32/563511832.db2.gz JSJKLZXXMNIZEB-SNVBAGLBSA-N -1 1 381.269 2.844 20 30 GFEDMM C[C@H](NC(=O)C(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F)C(F)(F)F ZINC000411531917 563622228 /nfs/dbraw/zinc/62/22/28/563622228.db2.gz YPAXBEJWHQCCNZ-CDUCUWFYSA-N -1 1 378.219 2.751 20 30 GFEDMM Cc1csc([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)c1C#N ZINC000288939552 563662725 /nfs/dbraw/zinc/66/27/25/563662725.db2.gz XNCIRMADBIYWLD-UHFFFAOYSA-N -1 1 379.463 2.866 20 30 GFEDMM Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(C#N)c([O-])c3)nc12 ZINC000443116189 563792753 /nfs/dbraw/zinc/79/27/53/563792753.db2.gz JXMCVZJVGUPEFB-UHFFFAOYSA-N -1 1 399.248 2.955 20 30 GFEDMM CCN(CC)c1[nH]nc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1C#N ZINC000508232789 564259034 /nfs/dbraw/zinc/25/90/34/564259034.db2.gz AMWMPMOJHWLKKU-UHFFFAOYSA-N -1 1 381.889 2.765 20 30 GFEDMM CCN(CC)c1[nH]nc([N-]S(=O)(=O)Cc2c(F)cccc2Cl)c1C#N ZINC000451007959 564261934 /nfs/dbraw/zinc/26/19/34/564261934.db2.gz LCGFDOITGYGJAW-UHFFFAOYSA-N -1 1 385.852 2.862 20 30 GFEDMM C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451154454 564280976 /nfs/dbraw/zinc/28/09/76/564280976.db2.gz LFORHBVOXUIEAA-MWLCHTKSSA-N -1 1 391.262 2.696 20 30 GFEDMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H]1CCCO1 ZINC000451344693 564303104 /nfs/dbraw/zinc/30/31/04/564303104.db2.gz RAGRZHMSPYIXBZ-QWHCGFSZSA-N -1 1 391.262 2.696 20 30 GFEDMM CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451452820 564315011 /nfs/dbraw/zinc/31/50/11/564315011.db2.gz MTGGDRWNVZSRKA-UHFFFAOYSA-N -1 1 393.278 2.679 20 30 GFEDMM COCC1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC1 ZINC000451492271 564319130 /nfs/dbraw/zinc/31/91/30/564319130.db2.gz CRTBOHALLVJHRY-UHFFFAOYSA-N -1 1 391.262 2.555 20 30 GFEDMM CO[C@](C)(C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CC1 ZINC000451567868 564326500 /nfs/dbraw/zinc/32/65/00/564326500.db2.gz PCGGOXNBQLTJDE-CQSZACIVSA-N -1 1 391.262 2.553 20 30 GFEDMM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n1 ZINC000511396257 564370782 /nfs/dbraw/zinc/37/07/82/564370782.db2.gz IZDDPTGQUQYCPO-UHFFFAOYSA-N -1 1 387.795 2.686 20 30 GFEDMM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000452030082 564385030 /nfs/dbraw/zinc/38/50/30/564385030.db2.gz LTBMBFBYZIWGIS-QMMMGPOBSA-N -1 1 386.670 2.847 20 30 GFEDMM CC(C)(C#N)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000544617999 564390510 /nfs/dbraw/zinc/39/05/10/564390510.db2.gz RJNMEGRDSUEEFB-UHFFFAOYSA-N -1 1 394.634 2.530 20 30 GFEDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)[C@@H](O)C(F)(F)F ZINC000489664208 564747457 /nfs/dbraw/zinc/74/74/57/564747457.db2.gz JDFSCLOTQYOFCE-LHLIQPBNSA-N -1 1 399.284 2.704 20 30 GFEDMM N#Cc1ccc(C(=O)N2CCN(c3cccc(Br)c3)CC2)cc1[O-] ZINC000557187361 564857823 /nfs/dbraw/zinc/85/78/23/564857823.db2.gz YWRYGGRORURILI-UHFFFAOYSA-N -1 1 386.249 2.989 20 30 GFEDMM N#Cc1cccc(CN2CCC(NC(=O)c3s[n-]c(=O)c3Cl)CC2)c1 ZINC000593885685 565365994 /nfs/dbraw/zinc/36/59/94/565365994.db2.gz KWUPZMLXHFOAMN-UHFFFAOYSA-N -1 1 376.869 2.768 20 30 GFEDMM N#CCCCC[C@@H](N)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000594462772 565388760 /nfs/dbraw/zinc/38/87/60/565388760.db2.gz HERUYAWURNCQAT-SECBINFHSA-N -1 1 382.287 2.672 20 30 GFEDMM C=CC[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000628483209 565791440 /nfs/dbraw/zinc/79/14/40/565791440.db2.gz IXSWBZNRODXRDW-LLVKDONJSA-N -1 1 377.293 2.696 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000822534837 599522514 /nfs/dbraw/zinc/52/25/14/599522514.db2.gz AOXLPIUMZDWTRW-LBPRGKRZSA-N -1 1 387.403 2.922 20 30 GFEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000822534837 599522517 /nfs/dbraw/zinc/52/25/17/599522517.db2.gz AOXLPIUMZDWTRW-LBPRGKRZSA-N -1 1 387.403 2.922 20 30 GFEDMM C=C(C)CCOC(=O)C1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000819722259 599626672 /nfs/dbraw/zinc/62/66/72/599626672.db2.gz FNVBQJXKVGQEGK-UHFFFAOYSA-N -1 1 398.423 2.841 20 30 GFEDMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000832862167 601089277 /nfs/dbraw/zinc/08/92/77/601089277.db2.gz WNAUBRGXRRLHOO-HNNXBMFYSA-N -1 1 394.475 2.587 20 30 GFEDMM C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@](F)(C(=O)[O-])C3)sc2C1 ZINC000828310834 601553917 /nfs/dbraw/zinc/55/39/17/601553917.db2.gz PIBYAUSCEJCZDG-ADLMAVQZSA-N -1 1 379.457 2.572 20 30 GFEDMM Cc1sc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)c(C#N)c1C ZINC000830955831 603962071 /nfs/dbraw/zinc/96/20/71/603962071.db2.gz ALKFLDBGBYTJQW-UHFFFAOYSA-N -1 1 376.482 2.782 20 30 GFEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)c1 ZINC000819710101 606338813 /nfs/dbraw/zinc/33/88/13/606338813.db2.gz WDWRZJFLPRTMOD-UHFFFAOYSA-N -1 1 393.350 2.668 20 30 GFEDMM COCCOc1ccccc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000821693733 606341666 /nfs/dbraw/zinc/34/16/66/606341666.db2.gz LTRONNPBYAKBND-UHFFFAOYSA-N -1 1 385.428 2.623 20 30 GFEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000822922813 606389449 /nfs/dbraw/zinc/38/94/49/606389449.db2.gz KBCJMWWOTOLDTB-GORDUTHDSA-N -1 1 385.424 2.800 20 30 GFEDMM CCOC(=O)C(F)(F)[C@@H]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC000825492536 607782839 /nfs/dbraw/zinc/78/28/39/607782839.db2.gz GNWVCOFCRROBOD-SECBINFHSA-N -1 1 397.386 2.745 20 30 GFEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c([N+](=O)[O-])cc1OC ZINC000826178916 608092091 /nfs/dbraw/zinc/09/20/91/608092091.db2.gz QZBZEAIMRNKOTM-ARJAWSKDSA-N -1 1 387.377 2.750 20 30 GFEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c([N+](=O)[O-])cc1OC ZINC000826178916 608092092 /nfs/dbraw/zinc/09/20/92/608092092.db2.gz QZBZEAIMRNKOTM-ARJAWSKDSA-N -1 1 387.377 2.750 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cn(C)nc2-c2ccccc2)o1 ZINC000824281081 608217708 /nfs/dbraw/zinc/21/77/08/608217708.db2.gz YWEJULRDKSERPW-UHFFFAOYSA-N -1 1 391.439 2.900 20 30 GFEDMM C#CCOc1ccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000823856355 609319882 /nfs/dbraw/zinc/31/98/82/609319882.db2.gz PIHGFJPEYVLUTR-UHFFFAOYSA-N -1 1 389.394 2.816 20 30 GFEDMM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC000819892526 660272705 /nfs/dbraw/zinc/27/27/05/660272705.db2.gz FFHWIQXNSYQPGS-HZMBPMFUSA-N -1 1 391.848 2.525 20 30 GFEDMM C=C(C)CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F ZINC000832130468 660756651 /nfs/dbraw/zinc/75/66/51/660756651.db2.gz YHUXGTXSNIEDFB-UHFFFAOYSA-N -1 1 380.235 2.619 20 30 GFEDMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2C1=O ZINC000122831576 654744195 /nfs/dbraw/zinc/74/41/95/654744195.db2.gz CDHXUADZCVBZKS-UHFFFAOYSA-N -1 1 375.837 2.641 20 30 GFEDMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055586682 654778617 /nfs/dbraw/zinc/77/86/17/654778617.db2.gz KXLSJEZODPGRJO-UHFFFAOYSA-N -1 1 380.809 2.564 20 30 GFEDMM C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1F ZINC000111668358 655175957 /nfs/dbraw/zinc/17/59/57/655175957.db2.gz DXWMPLLSFDQITF-UHFFFAOYSA-N -1 1 384.816 2.901 20 30 GFEDMM C#CCOc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000734150692 655627062 /nfs/dbraw/zinc/62/70/62/655627062.db2.gz NHCLFFDZUMFZSK-UHFFFAOYSA-N -1 1 380.809 2.739 20 30 GFEDMM N#CCN(C(=O)COC(=O)c1ccc(Br)c([O-])c1)c1ccccc1 ZINC000750553209 655815256 /nfs/dbraw/zinc/81/52/56/655815256.db2.gz YEFZEBLJPGHXQO-UHFFFAOYSA-N -1 1 389.205 2.868 20 30 GFEDMM C#CCNC(=S)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000758181621 655925613 /nfs/dbraw/zinc/92/56/13/655925613.db2.gz RZMPXFOWURFBAG-UHFFFAOYSA-N -1 1 381.429 2.685 20 30 GFEDMM C#CCCc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1 ZINC000762002008 656027593 /nfs/dbraw/zinc/02/75/93/656027593.db2.gz WIHUOFMUPFVPTG-UHFFFAOYSA-N -1 1 375.431 2.870 20 30 GFEDMM C=CCC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000776589055 656763762 /nfs/dbraw/zinc/76/37/62/656763762.db2.gz TVEDWLJBGXQBJR-VIFPVBQESA-N -1 1 383.209 2.599 20 30 GFEDMM C=C(CO)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000791294522 658077520 /nfs/dbraw/zinc/07/75/20/658077520.db2.gz JLOSHGWAHJSWBV-UHFFFAOYSA-N -1 1 380.853 2.936 20 30 GFEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809842908 659948365 /nfs/dbraw/zinc/94/83/65/659948365.db2.gz IZRYVFCHALKRAE-LKFCYVNXSA-N -1 1 378.809 2.647 20 30 GFEDMM C=CCN(CC(=O)OCC)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000813499673 660055828 /nfs/dbraw/zinc/05/58/28/660055828.db2.gz YHXJKCBUUPXYEE-UHFFFAOYSA-N -1 1 393.237 2.894 20 30 GFEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CCOCC1 ZINC000851827168 661835690 /nfs/dbraw/zinc/83/56/90/661835690.db2.gz GSKITYRYECZWQV-NSHDSACASA-N -1 1 393.248 2.608 20 30 GFEDMM N#CC1(NC(=O)c2ccc(I)cc2[O-])CCSCC1 ZINC000866974465 662513677 /nfs/dbraw/zinc/51/36/77/662513677.db2.gz WOZCTTCZOXTQEA-UHFFFAOYSA-N -1 1 388.230 2.516 20 30 GFEDMM O=S(=O)([N-]CCOC(F)(F)C(F)(F)F)c1cccnc1C(F)(F)F ZINC000872560382 662776881 /nfs/dbraw/zinc/77/68/81/662776881.db2.gz HULZKBYKXJYPFM-UHFFFAOYSA-N -1 1 388.236 2.550 20 30 GFEDMM CC(C)(C)OC(=O)C[C@@H](NCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC000900032744 663706790 /nfs/dbraw/zinc/70/67/90/663706790.db2.gz SXNPWDXSWFIRPG-CYBMUJFWSA-N -1 1 383.242 2.595 20 30 GFEDMM C[N-]S(=O)(=O)c1ccc(C(=O)N(O)Cc2cc(Cl)cc(Cl)c2)o1 ZINC000901380611 663735017 /nfs/dbraw/zinc/73/50/17/663735017.db2.gz ZHQFFIDSFNIQEA-UHFFFAOYSA-N -1 1 379.221 2.526 20 30 GFEDMM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000916042453 664447749 /nfs/dbraw/zinc/44/77/49/664447749.db2.gz MGNOVGYSEQXKAR-BGBYCUJFSA-N -1 1 395.428 2.950 20 30 GFEDMM COCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000917735437 664489427 /nfs/dbraw/zinc/48/94/27/664489427.db2.gz QEQJVOVPMDJPQC-UHFFFAOYSA-N -1 1 379.825 2.597 20 30 GFEDMM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000917923813 664492886 /nfs/dbraw/zinc/49/28/86/664492886.db2.gz FZDDWJVDRKWIGF-UHFFFAOYSA-N -1 1 389.285 2.953 20 30 GFEDMM N#CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000126890562 551333787 /nfs/dbraw/zinc/33/37/87/551333787.db2.gz DWHPSLBNAAZYJV-UHFFFAOYSA-N -1 1 394.250 2.503 20 30 GFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c(C)c1 ZINC000192129483 552552330 /nfs/dbraw/zinc/55/23/30/552552330.db2.gz LMXKTQLLBSMBJS-AWEZNQCLSA-N -1 1 378.475 2.790 20 30 GFEDMM CC(=O)N1Cc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2C1 ZINC000378045864 563494747 /nfs/dbraw/zinc/49/47/47/563494747.db2.gz YZXPQXUBXZYFBZ-UHFFFAOYSA-N -1 1 375.837 2.875 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(I)ccc1[O-] ZINC000437476921 563695877 /nfs/dbraw/zinc/69/58/77/563695877.db2.gz SIMQMPQXZBZNOS-YGRLFVJLSA-N -1 1 387.217 2.708 20 30 GFEDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)o1 ZINC000292042045 563771270 /nfs/dbraw/zinc/77/12/70/563771270.db2.gz ZMJXKSWUWLCRDM-UHFFFAOYSA-N -1 1 384.255 2.658 20 30 GFEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1I ZINC000416958703 563864120 /nfs/dbraw/zinc/86/41/20/563864120.db2.gz MCWNVEGQXDYKNH-MRVPVSSYSA-N -1 1 384.626 2.988 20 30 GFEDMM C[C@@H]1CCCN(S(=O)(=O)[N-]c2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542050359 564299636 /nfs/dbraw/zinc/29/96/36/564299636.db2.gz JOVQFIOEYPXYER-GFCCVEGCSA-N -1 1 379.873 2.786 20 30 GFEDMM N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3sccc3Cl)C2=O)cc1 ZINC000451379321 564306605 /nfs/dbraw/zinc/30/66/05/564306605.db2.gz ACPNXWZXHQXJGL-AWEZNQCLSA-N -1 1 395.893 2.747 20 30 GFEDMM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CC1 ZINC000451976114 564374873 /nfs/dbraw/zinc/37/48/73/564374873.db2.gz XIWPBTUFKJGNHT-RMLUDKJBSA-N -1 1 391.262 2.552 20 30 GFEDMM CO[C@@H](c1ccc(Br)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557841386 564880606 /nfs/dbraw/zinc/88/06/06/564880606.db2.gz SAIVBSAAEHMPSM-ZUZCIYMTSA-N -1 1 399.266 2.968 20 30 GFEDMM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000464410841 564905662 /nfs/dbraw/zinc/90/56/62/564905662.db2.gz KJTYLTXNMYFKEM-ZDUSSCGKSA-N -1 1 390.259 2.964 20 30 GFEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000559139580 564924350 /nfs/dbraw/zinc/92/43/50/564924350.db2.gz FBBCYJVUQFLSDT-LLVKDONJSA-N -1 1 377.369 2.605 20 30 GFEDMM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)no1 ZINC000589308406 565159976 /nfs/dbraw/zinc/15/99/76/565159976.db2.gz YOWVIZONVZZISZ-JTQLQIEISA-N -1 1 384.845 2.559 20 30 GFEDMM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000592115174 565258093 /nfs/dbraw/zinc/25/80/93/565258093.db2.gz RVAFUVPEVGKHRQ-RDDDGLTNSA-N -1 1 379.276 2.632 20 30 GFEDMM CCOC(=O)c1sc([N-]C(=O)c2cc(S(C)(=O)=O)cs2)c(C#N)c1C ZINC000611249100 566124499 /nfs/dbraw/zinc/12/44/99/566124499.db2.gz HQCAFNZCINWELY-UHFFFAOYSA-N -1 1 398.487 2.822 20 30 GFEDMM C[C@H](C#N)CN(C)C(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735505248 598907639 /nfs/dbraw/zinc/90/76/39/598907639.db2.gz PTCGAECTLXICRI-GFCCVEGCSA-N -1 1 381.465 2.896 20 30 GFEDMM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000737223718 598949030 /nfs/dbraw/zinc/94/90/30/598949030.db2.gz CUELFQSLDXUGDV-UHFFFAOYSA-N -1 1 398.448 2.659 20 30 GFEDMM C#CCOc1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)c1 ZINC000735381759 598494308 /nfs/dbraw/zinc/49/43/08/598494308.db2.gz ZKQDTDYGBRIATP-UHFFFAOYSA-N -1 1 388.387 2.823 20 30 GFEDMM C#CCOc1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)c1 ZINC000735381759 598494311 /nfs/dbraw/zinc/49/43/11/598494311.db2.gz ZKQDTDYGBRIATP-UHFFFAOYSA-N -1 1 388.387 2.823 20 30 GFEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1C(F)(F)F ZINC000822833896 599307400 /nfs/dbraw/zinc/30/74/00/599307400.db2.gz ZQQARTAQEQBAEW-UHFFFAOYSA-N -1 1 394.338 2.558 20 30 GFEDMM C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819746000 599334888 /nfs/dbraw/zinc/33/48/88/599334888.db2.gz XSODWTCIOSAAPL-UHFFFAOYSA-N -1 1 389.868 2.897 20 30 GFEDMM CCOc1ccc(N(CCC#N)C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000737203440 600295814 /nfs/dbraw/zinc/29/58/14/600295814.db2.gz MTFGPGGWFWKKOJ-GOSISDBHSA-N -1 1 385.464 2.519 20 30 GFEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000739106533 600564320 /nfs/dbraw/zinc/56/43/20/600564320.db2.gz SZOKMWXKCLERTB-LJQANCHMSA-N -1 1 381.407 2.671 20 30 GFEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000833073499 601323996 /nfs/dbraw/zinc/32/39/96/601323996.db2.gz CMAOCVOPEHYIDL-OAQYLSRUSA-N -1 1 395.434 2.600 20 30 GFEDMM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832849358 601513009 /nfs/dbraw/zinc/51/30/09/601513009.db2.gz FGUSIISEMWFNEN-IFXJQAMLSA-N -1 1 394.475 2.616 20 30 GFEDMM Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832849356 601513271 /nfs/dbraw/zinc/51/32/71/601513271.db2.gz FGUSIISEMWFNEN-AUUYWEPGSA-N -1 1 394.475 2.616 20 30 GFEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1csnc1C(=O)[O-] ZINC000833069048 602201878 /nfs/dbraw/zinc/20/18/78/602201878.db2.gz SMNOPACASLVTHV-UHFFFAOYSA-N -1 1 377.325 2.533 20 30 GFEDMM C[C@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000739089417 602446350 /nfs/dbraw/zinc/44/63/50/602446350.db2.gz LFMZJMUWJGFHKN-FZTQNYJHSA-N -1 1 378.517 2.674 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC([C@H](C)NC(=O)[O-])CC2)cc1 ZINC000740131602 602450185 /nfs/dbraw/zinc/45/01/85/602450185.db2.gz XOKCEJURFHNMSR-IRXDYDNUSA-N -1 1 386.496 2.998 20 30 GFEDMM N#Cc1ccsc1NC(=O)CCN1CCN(C(=O)[O-])CC12CCCCC2 ZINC000831156763 605482193 /nfs/dbraw/zinc/48/21/93/605482193.db2.gz JXTOXSRDBVACPH-UHFFFAOYSA-N -1 1 376.482 2.947 20 30 GFEDMM C=CCc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc(OC)c1OC ZINC000819759542 606540722 /nfs/dbraw/zinc/54/07/22/606540722.db2.gz ZKTBXNLKXOMKNN-UHFFFAOYSA-N -1 1 385.449 2.604 20 30 GFEDMM C=CCc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000819759542 606540724 /nfs/dbraw/zinc/54/07/24/606540724.db2.gz ZKTBXNLKXOMKNN-UHFFFAOYSA-N -1 1 385.449 2.604 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc([C@H]3CCCO3)s2)o1 ZINC000824141437 607887496 /nfs/dbraw/zinc/88/74/96/607887496.db2.gz HEQPYMRTRVEDSE-SNVBAGLBSA-N -1 1 388.457 2.906 20 30 GFEDMM CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958572 608094802 /nfs/dbraw/zinc/09/48/02/608094802.db2.gz RDWAELOPQDLYDX-UHFFFAOYSA-N -1 1 398.420 2.761 20 30 GFEDMM C=CCCC[C@H](C)OC(=O)CCc1c(C)nc2c(-c3nnn[n-]3)cnn2c1C ZINC000823894432 608332800 /nfs/dbraw/zinc/33/28/00/608332800.db2.gz QGMVZIOHGJBZDW-LBPRGKRZSA-N -1 1 383.456 2.747 20 30 GFEDMM C=CCCC[C@H](C)OC(=O)CCc1c(C)nc2c(-c3nn[n-]n3)cnn2c1C ZINC000823894432 608332801 /nfs/dbraw/zinc/33/28/01/608332801.db2.gz QGMVZIOHGJBZDW-LBPRGKRZSA-N -1 1 383.456 2.747 20 30 GFEDMM C=CCOC[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)OC ZINC000817600692 660202217 /nfs/dbraw/zinc/20/22/17/660202217.db2.gz SJMSTBUDPCDSMW-LBPRGKRZSA-N -1 1 382.190 2.946 20 30 GFEDMM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc2cn[nH]c21 ZINC000048423984 654706729 /nfs/dbraw/zinc/70/67/29/654706729.db2.gz OOUJPVDSZXDWQK-UHFFFAOYSA-N -1 1 380.769 2.818 20 30 GFEDMM CS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000058496199 654818795 /nfs/dbraw/zinc/81/87/95/654818795.db2.gz NODIHOLTLGNPQB-UHFFFAOYSA-N -1 1 384.866 2.557 20 30 GFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000271226002 655071449 /nfs/dbraw/zinc/07/14/49/655071449.db2.gz RBHSCFYTIVDMBJ-ZCFIWIBFSA-N -1 1 395.662 2.780 20 30 GFEDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000273611101 655150659 /nfs/dbraw/zinc/15/06/59/655150659.db2.gz OLNJRJGDQLUWRB-SSDOTTSWSA-N -1 1 376.385 2.777 20 30 GFEDMM CSc1nc(C)c(CCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000113179090 655204682 /nfs/dbraw/zinc/20/46/82/655204682.db2.gz VJFMAJXGTPGKSH-AWEZNQCLSA-N -1 1 376.869 2.767 20 30 GFEDMM C=C[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000579180944 655495393 /nfs/dbraw/zinc/49/53/93/655495393.db2.gz KKQCFZZYVLOLLU-LLVKDONJSA-N -1 1 377.293 2.839 20 30 GFEDMM Cc1cc2c(c(Br)c1)NC(=O)C2=NN=c1[n-]c(-c2ccncc2)no1 ZINC000735613572 655649744 /nfs/dbraw/zinc/64/97/44/655649744.db2.gz BQKCRSLNYWWJQI-UHFFFAOYSA-N -1 1 399.208 2.971 20 30 GFEDMM Cc1cc2c(c(Br)c1)NC(=O)C2=NN=c1nc(-c2ccncc2)[n-]o1 ZINC000735613572 655649746 /nfs/dbraw/zinc/64/97/46/655649746.db2.gz BQKCRSLNYWWJQI-UHFFFAOYSA-N -1 1 399.208 2.971 20 30 GFEDMM C=C(Cl)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000736245088 655660574 /nfs/dbraw/zinc/66/05/74/655660574.db2.gz HBIVOILCPFBXCR-UHFFFAOYSA-N -1 1 380.853 2.978 20 30 GFEDMM O=C1Nc2cc(Br)ccc2C1=NN=c1[n-]c(-c2ccncc2)no1 ZINC000750948738 655819007 /nfs/dbraw/zinc/81/90/07/655819007.db2.gz LXOJENGKEYMNAN-UHFFFAOYSA-N -1 1 385.181 2.662 20 30 GFEDMM O=C1Nc2cc(Br)ccc2C1=NN=c1nc(-c2ccncc2)[n-]o1 ZINC000750948738 655819008 /nfs/dbraw/zinc/81/90/08/655819008.db2.gz LXOJENGKEYMNAN-UHFFFAOYSA-N -1 1 385.181 2.662 20 30 GFEDMM N#Cc1cccc(S(=O)(=O)CCSc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000753939865 655861142 /nfs/dbraw/zinc/86/11/42/655861142.db2.gz ODQZPZTVSNQORP-UHFFFAOYSA-N -1 1 389.380 2.639 20 30 GFEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 ZINC000757476759 655911949 /nfs/dbraw/zinc/91/19/49/655911949.db2.gz KMEURTVEZZCNSC-UHFFFAOYSA-N -1 1 379.821 2.939 20 30 GFEDMM O=c1nc(NN=C2CCc3c2cc(Br)cc3Cl)nc2[nH][n-]cc1-2 ZINC000758110329 655923249 /nfs/dbraw/zinc/92/32/49/655923249.db2.gz NOUNQWXMLFTXTL-UHFFFAOYSA-N -1 1 393.632 2.610 20 30 GFEDMM CS(=O)(=O)N(Cc1ccccc1)N=Cc1cc(O)c([O-])c(Br)c1 ZINC000814236484 660075172 /nfs/dbraw/zinc/07/51/72/660075172.db2.gz ZFOQLEUFLBWUOQ-UHFFFAOYSA-N -1 1 399.266 2.656 20 30 GFEDMM Cn1nc(Br)c2c1ncnc2N=NCc1cccc([O-])c1Cl ZINC000814829241 660096988 /nfs/dbraw/zinc/09/69/88/660096988.db2.gz NDJMKMGMQBIDKX-UHFFFAOYSA-N -1 1 381.621 2.931 20 30 GFEDMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000180175626 552216203 /nfs/dbraw/zinc/21/62/03/552216203.db2.gz JSJQYXINQPFCHR-UHFFFAOYSA-N -1 1 384.866 2.557 20 30 GFEDMM N#Cc1cccc(CNC(=O)c2cc(I)ccc2[O-])c1 ZINC000220962825 553055188 /nfs/dbraw/zinc/05/51/88/553055188.db2.gz XNIVWFUCQUTNLI-UHFFFAOYSA-N -1 1 378.169 2.798 20 30 GFEDMM N#Cc1ccsc1NC(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000298285673 563350282 /nfs/dbraw/zinc/35/02/82/563350282.db2.gz VHBXFOZMUMARMW-UHFFFAOYSA-N -1 1 376.463 2.728 20 30 GFEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc[nH]3)c2)ccc1Cl ZINC000436479766 563671660 /nfs/dbraw/zinc/67/16/60/563671660.db2.gz VKDCVJGIBPCOEX-UHFFFAOYSA-N -1 1 377.788 2.937 20 30 GFEDMM CCOc1cc(-c2noc(-c3cnn(C)c3C#N)n2)cc(Br)c1[O-] ZINC000350614903 563675211 /nfs/dbraw/zinc/67/52/11/563675211.db2.gz YQKIAPMHVTYPCO-UHFFFAOYSA-N -1 1 390.197 2.876 20 30 GFEDMM COc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1[N-]S(C)(=O)=O ZINC000539749658 564226883 /nfs/dbraw/zinc/22/68/83/564226883.db2.gz MCLYBQRAHKRYLF-UHFFFAOYSA-N -1 1 379.825 2.844 20 30 GFEDMM CNC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1F ZINC000507622896 564235355 /nfs/dbraw/zinc/23/53/55/564235355.db2.gz WEGDPARYCXNPKW-UHFFFAOYSA-N -1 1 382.804 2.903 20 30 GFEDMM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451373967 564305403 /nfs/dbraw/zinc/30/54/03/564305403.db2.gz IPGISGNNHQIRHP-RNCFNFMXSA-N -1 1 391.262 2.553 20 30 GFEDMM COC1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCCC1 ZINC000451618760 564332299 /nfs/dbraw/zinc/33/22/99/564332299.db2.gz WLISXLYVVUJUPY-UHFFFAOYSA-N -1 1 391.262 2.697 20 30 GFEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)ccc1OC ZINC000476286262 564333434 /nfs/dbraw/zinc/33/34/34/564333434.db2.gz MKOCISSUKYJIGE-UHFFFAOYSA-N -1 1 380.809 2.808 20 30 GFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C[S@@](C)=O)c2)n1 ZINC000518670845 564559773 /nfs/dbraw/zinc/55/97/73/564559773.db2.gz LWARRIHNOOVLSN-ZJWNCGCPSA-N -1 1 376.459 2.688 20 30 GFEDMM Cc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1cncc(C#N)c1 ZINC000519616298 564584199 /nfs/dbraw/zinc/58/41/99/564584199.db2.gz SISAMOADAQVXQJ-UHFFFAOYSA-N -1 1 396.222 2.523 20 30 GFEDMM N#Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1Cl ZINC000484546322 564590264 /nfs/dbraw/zinc/59/02/64/564590264.db2.gz OJKFANPKIFPYIS-UHFFFAOYSA-N -1 1 381.753 2.619 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 ZINC000553856454 564740327 /nfs/dbraw/zinc/74/03/27/564740327.db2.gz SLYHOUWZLHVRHY-UHFFFAOYSA-N -1 1 375.284 2.557 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCSC2)cc1Br ZINC000556291704 564817262 /nfs/dbraw/zinc/81/72/62/564817262.db2.gz QNWWMCCXLZZRBI-SECBINFHSA-N -1 1 393.303 2.881 20 30 GFEDMM COc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c(Br)c1 ZINC000582144935 564832586 /nfs/dbraw/zinc/83/25/86/564832586.db2.gz ILJACEAEQROQPY-UHFFFAOYSA-N -1 1 398.238 2.534 20 30 GFEDMM Cc1nc(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)sc1C ZINC000557823789 564878532 /nfs/dbraw/zinc/87/85/32/564878532.db2.gz MELQNQBEUBQJTN-UHFFFAOYSA-N -1 1 386.296 2.873 20 30 GFEDMM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000558344272 564898873 /nfs/dbraw/zinc/89/88/73/564898873.db2.gz LFWWIQIYXLQGAS-JTQLQIEISA-N -1 1 393.278 2.535 20 30 GFEDMM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000464410840 564905772 /nfs/dbraw/zinc/90/57/72/564905772.db2.gz KJTYLTXNMYFKEM-CYBMUJFWSA-N -1 1 390.259 2.964 20 30 GFEDMM Cc1nc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1I ZINC000589215429 565156616 /nfs/dbraw/zinc/15/66/16/565156616.db2.gz YRUXNBFMTOCWTA-UHFFFAOYSA-N -1 1 379.157 2.824 20 30 GFEDMM C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000590749873 565201140 /nfs/dbraw/zinc/20/11/40/565201140.db2.gz ZZVLRQQGPAPNAM-NXEZZACHSA-N -1 1 391.262 2.553 20 30 GFEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594464802 565390076 /nfs/dbraw/zinc/39/00/76/565390076.db2.gz ZFFHFYZUWMMMBV-ZUZCIYMTSA-N -1 1 391.848 2.525 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)o1 ZINC000594728409 565412082 /nfs/dbraw/zinc/41/20/82/565412082.db2.gz FLYAIKODCNULIP-QGZVFWFLSA-N -1 1 380.853 2.875 20 30 GFEDMM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000595393962 565472851 /nfs/dbraw/zinc/47/28/51/565472851.db2.gz ZIHTWSRCLXUEMZ-JTQLQIEISA-N -1 1 391.262 2.553 20 30 GFEDMM CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736330822 599151355 /nfs/dbraw/zinc/15/13/55/599151355.db2.gz ZMZFDYFCUFZOGV-WBMJQRKESA-N -1 1 389.419 2.736 20 30 GFEDMM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1 ZINC000736057531 598430088 /nfs/dbraw/zinc/43/00/88/598430088.db2.gz WSXFGFDYMJFMNX-ZETCQYMHSA-N -1 1 391.222 2.586 20 30 GFEDMM C#CCOc1ccc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc1 ZINC000735381667 598819678 /nfs/dbraw/zinc/81/96/78/598819678.db2.gz YGWOTUKKLJTTMB-UHFFFAOYSA-N -1 1 379.424 2.901 20 30 GFEDMM C[C@H](CC(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccccc1C(F)(F)F ZINC000820226034 599313823 /nfs/dbraw/zinc/31/38/23/599313823.db2.gz SLENGCFCXJIJRG-MRVPVSSYSA-N -1 1 390.329 2.613 20 30 GFEDMM N#Cc1ccc([C@@H](NCc2cccc(C(=O)NCc3ccco3)c2)C(=O)[O-])cc1 ZINC000739104411 600595267 /nfs/dbraw/zinc/59/52/67/600595267.db2.gz ADZJCOSIXXYJCD-HXUWFJFHSA-N -1 1 389.411 2.997 20 30 GFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000825966695 601132637 /nfs/dbraw/zinc/13/26/37/601132637.db2.gz KKZWADFVJAUEPB-GJZGRUSLSA-N -1 1 390.509 2.951 20 30 GFEDMM CCN1CCN(c2ccc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)CC1 ZINC000829780839 601354760 /nfs/dbraw/zinc/35/47/60/601354760.db2.gz MABHHSRLEQRJQC-FQEVSTJZSA-N -1 1 393.443 2.683 20 30 GFEDMM N#C[C@@H](C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000831066092 604226114 /nfs/dbraw/zinc/22/61/14/604226114.db2.gz VCKHSPMAEVJLBJ-RYUDHWBXSA-N -1 1 392.362 2.767 20 30 GFEDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000833625435 605100239 /nfs/dbraw/zinc/10/02/39/605100239.db2.gz LRSKYXUPYCSUIF-INIZCTEOSA-N -1 1 393.443 2.972 20 30 GFEDMM N#CC(C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000833961814 605488272 /nfs/dbraw/zinc/48/82/72/605488272.db2.gz VFHNLPJZSCCCLM-PWSUYJOCSA-N -1 1 381.791 2.907 20 30 GFEDMM N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822815292 606132772 /nfs/dbraw/zinc/13/27/72/606132772.db2.gz OLRASECZNWZCNG-UHFFFAOYSA-N -1 1 375.797 2.841 20 30 GFEDMM N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822815292 606132773 /nfs/dbraw/zinc/13/27/73/606132773.db2.gz OLRASECZNWZCNG-UHFFFAOYSA-N -1 1 375.797 2.841 20 30 GFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000822800998 606557334 /nfs/dbraw/zinc/55/73/34/606557334.db2.gz CYBWJXUBFZGBTC-SNVBAGLBSA-N -1 1 394.338 2.821 20 30 GFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000822800998 606557335 /nfs/dbraw/zinc/55/73/35/606557335.db2.gz CYBWJXUBFZGBTC-SNVBAGLBSA-N -1 1 394.338 2.821 20 30 GFEDMM C=CCn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1-c1ccccn1 ZINC000819765841 607036206 /nfs/dbraw/zinc/03/62/06/607036206.db2.gz SLOYHSUVDPKYKG-UHFFFAOYSA-N -1 1 380.412 2.997 20 30 GFEDMM C=CCn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1-c1ccccn1 ZINC000819765841 607036208 /nfs/dbraw/zinc/03/62/08/607036208.db2.gz SLOYHSUVDPKYKG-UHFFFAOYSA-N -1 1 380.412 2.997 20 30 GFEDMM COc1cc(Cl)c(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)cc1Cl ZINC000826179788 607816345 /nfs/dbraw/zinc/81/63/45/607816345.db2.gz DPDHFXYOLZOFRK-UHFFFAOYSA-N -1 1 393.234 2.843 20 30 GFEDMM COc1cc2c(c(CN=Nc3oc(C(C)C)nc3-c3nn[n-]n3)c1)O[C@H](C)C2 ZINC000826178611 607886859 /nfs/dbraw/zinc/88/68/59/607886859.db2.gz FFLPZAUUTHEBBS-SNVBAGLBSA-N -1 1 383.412 2.756 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cn(-c3ccc(Cl)cc3)nc2C)o1 ZINC000826322968 607887145 /nfs/dbraw/zinc/88/71/45/607887145.db2.gz JQPHQXNDRUEOEG-UHFFFAOYSA-N -1 1 383.803 2.757 20 30 GFEDMM COc1cc2c(c(CN=Nc3oc(C(C)(C)C)nc3-c3nn[n-]n3)c1)O[C@H](C)C2 ZINC000826178756 607887710 /nfs/dbraw/zinc/88/77/10/607887710.db2.gz KVXXLQIVHOCYOJ-SNVBAGLBSA-N -1 1 397.439 2.930 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cn(C)nc2-c2ccccc2)o1 ZINC000824352460 608217842 /nfs/dbraw/zinc/21/78/42/608217842.db2.gz DYUUYUKGDMOBJV-UHFFFAOYSA-N -1 1 377.412 2.825 20 30 GFEDMM C=C(Cl)CSc1nc(C)c(CC(=O)NC2(c3nn[n-]n3)CCCC2)s1 ZINC000819297304 660253944 /nfs/dbraw/zinc/25/39/44/660253944.db2.gz PBHAIYPGAUWTJD-UHFFFAOYSA-N -1 1 398.945 2.937 20 30 GFEDMM N#C[C@@H](C(=O)[C@H]1CSCCS1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000128424298 654846512 /nfs/dbraw/zinc/84/65/12/654846512.db2.gz ZFRCGBUSNBWTIR-CMPLNLGQSA-N -1 1 391.543 2.888 20 30 GFEDMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000069422979 654981410 /nfs/dbraw/zinc/98/14/10/654981410.db2.gz TVPJLFIPRDHOBV-SFYZADRCSA-N -1 1 375.237 2.907 20 30 GFEDMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000069422979 654981414 /nfs/dbraw/zinc/98/14/14/654981414.db2.gz TVPJLFIPRDHOBV-SFYZADRCSA-N -1 1 375.237 2.907 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1nc2ccc(F)cc2s1 ZINC000761811964 656022038 /nfs/dbraw/zinc/02/20/38/656022038.db2.gz WZAURJWQPVBYMJ-UHFFFAOYSA-N -1 1 380.382 2.656 20 30 GFEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1Cl ZINC000782903845 657191845 /nfs/dbraw/zinc/19/18/45/657191845.db2.gz LRKBZUXAVRQJSJ-UHFFFAOYSA-N -1 1 382.829 2.674 20 30 GFEDMM O=S1(=O)[N-]C(=NN=C2CCc3cc(Br)ccc32)c2ccccc21 ZINC000814798826 660096182 /nfs/dbraw/zinc/09/61/82/660096182.db2.gz NQYUPQSOJCDVEG-UHFFFAOYSA-N -1 1 390.262 2.838 20 30 GFEDMM O=C1Nc2cc(Br)ccc2C1=NN=c1[n-]c(-c2cccnc2)no1 ZINC000814949631 660099194 /nfs/dbraw/zinc/09/91/94/660099194.db2.gz OBNLUKVYACDNKZ-UHFFFAOYSA-N -1 1 385.181 2.662 20 30 GFEDMM O=C1Nc2cc(Br)ccc2C1=NN=c1nc(-c2cccnc2)[n-]o1 ZINC000814949631 660099197 /nfs/dbraw/zinc/09/91/97/660099197.db2.gz OBNLUKVYACDNKZ-UHFFFAOYSA-N -1 1 385.181 2.662 20 30 GFEDMM C=CCCS(=O)(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000867734810 662570936 /nfs/dbraw/zinc/57/09/36/662570936.db2.gz FTHNRWVGTXZMQS-GFCCVEGCSA-N -1 1 376.400 2.565 20 30 GFEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Br)s1 ZINC000914600226 664412763 /nfs/dbraw/zinc/41/27/63/664412763.db2.gz SDYNYYXOKBWKIA-UHFFFAOYSA-N -1 1 384.280 2.973 20 30 GFEDMM N#Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000161769401 551598233 /nfs/dbraw/zinc/59/82/33/551598233.db2.gz ZQVGRGHUCAIFFE-UHFFFAOYSA-N -1 1 399.197 2.959 20 30 GFEDMM C=CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000186663541 552394079 /nfs/dbraw/zinc/39/40/79/552394079.db2.gz VOZXWYQQXMMTSJ-QMMMGPOBSA-N -1 1 389.098 2.971 20 30 GFEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000416674361 563859964 /nfs/dbraw/zinc/85/99/64/563859964.db2.gz VSSDQAIAMXMUQR-UHFFFAOYSA-N -1 1 377.249 2.752 20 30 GFEDMM N#Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)ccc1F ZINC000320319379 563446242 /nfs/dbraw/zinc/44/62/42/563446242.db2.gz WCSCRLCBBUIZCX-UHFFFAOYSA-N -1 1 399.197 2.959 20 30 GFEDMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000329888877 563490938 /nfs/dbraw/zinc/49/09/38/563490938.db2.gz ZMZJSSJXWZHLKT-CHWSQXEVSA-N -1 1 387.527 2.608 20 30 GFEDMM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451248534 564291504 /nfs/dbraw/zinc/29/15/04/564291504.db2.gz DEVKQJMSYREVPF-QWHCGFSZSA-N -1 1 391.262 2.696 20 30 GFEDMM CS(=O)(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000477184161 564368663 /nfs/dbraw/zinc/36/86/63/564368663.db2.gz CZBZWOORAKVUMZ-UHFFFAOYSA-N -1 1 384.866 2.557 20 30 GFEDMM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C ZINC000479290221 564434791 /nfs/dbraw/zinc/43/47/91/564434791.db2.gz XXZVASVNYZRIOP-UHFFFAOYSA-N -1 1 378.475 2.688 20 30 GFEDMM Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c(SCCC(=O)[O-])c1 ZINC000484496045 564589211 /nfs/dbraw/zinc/58/92/11/564589211.db2.gz CXKUVZDCTMQCJC-UHFFFAOYSA-N -1 1 377.447 2.629 20 30 GFEDMM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000581331641 564798235 /nfs/dbraw/zinc/79/82/35/564798235.db2.gz BEUPGVOOGMUHIN-UHFFFAOYSA-N -1 1 378.475 2.737 20 30 GFEDMM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000497944181 564880667 /nfs/dbraw/zinc/88/06/67/564880667.db2.gz LIBBRCMJIGXIFE-WPRPVWTQSA-N -1 1 383.285 2.825 20 30 GFEDMM Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589175789 565155248 /nfs/dbraw/zinc/15/52/48/565155248.db2.gz XOVCMCGATIBPNR-UHFFFAOYSA-N -1 1 388.221 2.703 20 30 GFEDMM O=S(=O)([N-][C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc(C(F)(F)F)ccc1F ZINC000644275678 565469425 /nfs/dbraw/zinc/46/94/25/565469425.db2.gz RDHWODHUIMRFNR-KCJUWKMLSA-N -1 1 395.296 2.969 20 30 GFEDMM N#Cc1[n-]c(NC(=O)c2ccc(-c3ccc(F)cc3)cc2F)nc1-c1nn[nH]n1 ZINC000737704092 598371918 /nfs/dbraw/zinc/37/19/18/598371918.db2.gz DADFFXXZHWYIOA-UHFFFAOYSA-N -1 1 392.329 2.659 20 30 GFEDMM C#Cc1cccc(N(CC)C(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)c1 ZINC000735391588 598659664 /nfs/dbraw/zinc/65/96/64/598659664.db2.gz UBSAEZYORYLYCT-UHFFFAOYSA-N -1 1 390.447 2.551 20 30 GFEDMM C=CCNC(=O)[C@@H](C)Sc1nc2c(c(-c3ccco3)c1-c1nn[n-]n1)CCC2 ZINC000735431834 598772441 /nfs/dbraw/zinc/77/24/41/598772441.db2.gz JEWUBMNBYRUGDS-LLVKDONJSA-N -1 1 396.476 2.793 20 30 GFEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)C[C@H]2CCCN2C(=O)OC(C)(C)C)o1 ZINC000820234760 607370439 /nfs/dbraw/zinc/37/04/39/607370439.db2.gz PIEOXOMDICJDFT-GFCCVEGCSA-N -1 1 390.448 2.741 20 30 GFEDMM Cc1cccc(S(=O)(=O)Nc2cc(C#N)ccc2OC(F)F)c1C(=O)[O-] ZINC000738744078 599801694 /nfs/dbraw/zinc/80/16/94/599801694.db2.gz IRGDFQFTQJTUNG-UHFFFAOYSA-N -1 1 382.344 2.967 20 30 GFEDMM C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000264525996 600815206 /nfs/dbraw/zinc/81/52/06/600815206.db2.gz LWEUTTCNOYPRBP-LLVKDONJSA-N -1 1 379.463 2.776 20 30 GFEDMM Cc1nnc(SCC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)[nH]1 ZINC000832991385 600880086 /nfs/dbraw/zinc/88/00/86/600880086.db2.gz VAZCYJSJXUZFGJ-UHFFFAOYSA-N -1 1 392.440 2.942 20 30 GFEDMM Cc1n[nH]c(SCC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC000832991385 600880089 /nfs/dbraw/zinc/88/00/89/600880089.db2.gz VAZCYJSJXUZFGJ-UHFFFAOYSA-N -1 1 392.440 2.942 20 30 GFEDMM Cc1cccc(C(=O)N2CCCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832963928 601310370 /nfs/dbraw/zinc/31/03/70/601310370.db2.gz YDLUTNKHJGLELT-HXUWFJFHSA-N -1 1 377.444 2.841 20 30 GFEDMM Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)c1C#N ZINC000832850042 601530467 /nfs/dbraw/zinc/53/04/67/601530467.db2.gz YTZZZSYJFAOTRF-XIKOKIGWSA-N -1 1 398.438 2.696 20 30 GFEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(CNC(=O)[O-])o1 ZINC000831064539 604222918 /nfs/dbraw/zinc/22/29/18/604222918.db2.gz IGMAWQXIRHCVPA-SNVBAGLBSA-N -1 1 379.731 2.801 20 30 GFEDMM Cc1cnn(-c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000833754513 605191254 /nfs/dbraw/zinc/19/12/54/605191254.db2.gz SHZVUJRNACSTMG-UHFFFAOYSA-N -1 1 382.401 2.551 20 30 GFEDMM CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2ccc(-c3nn[n-]n3)s2)C1=O ZINC000821051027 606368679 /nfs/dbraw/zinc/36/86/79/606368679.db2.gz XCIZKXAPDUIFAK-QGZVFWFLSA-N -1 1 389.485 2.933 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c3ccc(C#N)cc23)o1 ZINC000819965439 607148303 /nfs/dbraw/zinc/14/83/03/607148303.db2.gz HBCFFNIKIAHCMH-UHFFFAOYSA-N -1 1 375.396 2.951 20 30 GFEDMM C=C[C@H](CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC000823882951 607980778 /nfs/dbraw/zinc/98/07/78/607980778.db2.gz GWXPJTKKOONGER-CQSZACIVSA-N -1 1 395.419 2.918 20 30 GFEDMM C=CCOc1ccc(C=CC(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1OC ZINC000823932412 607997796 /nfs/dbraw/zinc/99/77/96/607997796.db2.gz XKOHJIAOTDKHOG-UITAMQMPSA-N -1 1 393.403 2.798 20 30 GFEDMM Cn1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c(-c2ccccc2)n1 ZINC000826360774 608218634 /nfs/dbraw/zinc/21/86/34/608218634.db2.gz XONNCTVHHMRHTJ-UHFFFAOYSA-N -1 1 391.439 2.999 20 30 GFEDMM C[C@@H]1CCC[C@H](OCCCCCC(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)C1 ZINC000824927584 608385825 /nfs/dbraw/zinc/38/58/25/608385825.db2.gz PRHOLZUHBBLQQX-OLZOCXBDSA-N -1 1 386.460 2.556 20 30 GFEDMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000116158751 655245135 /nfs/dbraw/zinc/24/51/35/655245135.db2.gz QKBCQOAZTSCJMV-UHFFFAOYSA-N -1 1 384.866 2.557 20 30 GFEDMM O=S1(=O)[N-]C(=NN=C2CCCOc3ccc(Cl)cc32)c2ccccc21 ZINC000733744914 655620669 /nfs/dbraw/zinc/62/06/69/655620669.db2.gz WFUMVTZZVCLKEC-UHFFFAOYSA-N -1 1 375.837 2.955 20 30 GFEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CSCc3ccccc32)cc1 ZINC000746491910 655762640 /nfs/dbraw/zinc/76/26/40/655762640.db2.gz LROMXOVKOCIOOK-UHFFFAOYSA-N -1 1 377.447 2.665 20 30 GFEDMM CC1=C(C(=O)C=Cc2ccc([O-])c(Br)c2)[C@@H](C)N2NN=NC2=N1 ZINC000752882532 655847711 /nfs/dbraw/zinc/84/77/11/655847711.db2.gz MXDGQOJKMRSMJO-OTQAPUNGSA-N -1 1 376.214 2.957 20 30 GFEDMM CCN(CC)S(=O)(=O)c1ccc(N=NCc2cccc(Cl)c2[O-])nc1 ZINC000753159778 655851041 /nfs/dbraw/zinc/85/10/41/655851041.db2.gz ACPSIPNZQMQBAY-UHFFFAOYSA-N -1 1 382.873 2.917 20 30 GFEDMM Cc1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000753710619 655857490 /nfs/dbraw/zinc/85/74/90/655857490.db2.gz YJUNVHJLFDKNOS-UHFFFAOYSA-N -1 1 398.238 2.978 20 30 GFEDMM Cn1c(=O)c2ccccc2nc1NN=Cc1cc(O)c([O-])c(Br)c1 ZINC000757569809 655913234 /nfs/dbraw/zinc/91/32/34/655913234.db2.gz SWEDVFUJJFKOSK-UHFFFAOYSA-N -1 1 389.209 2.553 20 30 GFEDMM CC(SCc1nc(=O)c2c(C)c(C)sc2[nH]1)=C([O-])N=C1C[C@H](C)ON1 ZINC000763257423 656077733 /nfs/dbraw/zinc/07/77/33/656077733.db2.gz CENSJXVISZVNRX-OIBJUYFYSA-N -1 1 380.495 2.874 20 30 GFEDMM COc1ccc(Nc2nc(Cl)c(C=Nn3c(=O)cn[n-]c3=S)s2)cc1 ZINC000766473844 656172567 /nfs/dbraw/zinc/17/25/67/656172567.db2.gz IGHYAXMIPUDYJS-UHFFFAOYSA-N -1 1 394.869 2.671 20 30 GFEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(F)cc2Br)c2ccccc21 ZINC000767769623 656219074 /nfs/dbraw/zinc/21/90/74/656219074.db2.gz CAINVNMWDDDMRG-UHFFFAOYSA-N -1 1 382.214 2.661 20 30 GFEDMM Cc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1Br ZINC000767900211 656226086 /nfs/dbraw/zinc/22/60/86/656226086.db2.gz SSCQODZNOBBHKQ-UHFFFAOYSA-N -1 1 378.251 2.830 20 30 GFEDMM COc1cc(Br)c(C=CC(=O)c2c([O-])cc(C)oc2=O)c(OC)c1 ZINC000768483937 656239999 /nfs/dbraw/zinc/23/99/99/656239999.db2.gz MQNTYXAVCBNSSF-DWTRPJMMSA-N -1 1 395.205 2.695 20 30 GFEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc(Cl)c(C#N)s2)o1 ZINC000841225647 661245809 /nfs/dbraw/zinc/24/58/09/661245809.db2.gz UKECUGXAIYRVTH-UHFFFAOYSA-N -1 1 388.858 2.590 20 30 GFEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@H]1CCCO1 ZINC000773051831 656397701 /nfs/dbraw/zinc/39/77/01/656397701.db2.gz BSBSADXKHOROMD-NWDGAFQWSA-N -1 1 396.665 2.701 20 30 GFEDMM CCC(N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cn[nH]c1 ZINC000789024332 657811060 /nfs/dbraw/zinc/81/10/60/657811060.db2.gz VEJVQVXMHMZBNJ-UHFFFAOYSA-N -1 1 376.467 2.893 20 30 GFEDMM Cc1c(Br)c(C)n(N=Cc2c(F)ccc([O-])c2F)c(=O)c1C#N ZINC000794538216 658559057 /nfs/dbraw/zinc/55/90/57/658559057.db2.gz OKALEJJEUGDYDH-UHFFFAOYSA-N -1 1 382.164 2.965 20 30 GFEDMM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3nc(Cl)ccc3F)sc2C1 ZINC000857679121 662086521 /nfs/dbraw/zinc/08/65/21/662086521.db2.gz XZBFQDVHJCJWBM-UHFFFAOYSA-N -1 1 378.816 2.964 20 30 GFEDMM C=C(Cl)C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)OCC ZINC000870032822 662672039 /nfs/dbraw/zinc/67/20/39/662672039.db2.gz OCIOTQNQZCBZKC-NSHDSACASA-N -1 1 376.634 2.959 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)c1F ZINC000903102814 663773804 /nfs/dbraw/zinc/77/38/04/663773804.db2.gz UOOUMOQYLWTASZ-SECBINFHSA-N -1 1 379.251 2.813 20 30 GFEDMM CC[C@@]([N-]S(=O)(=O)Cc1csc(C#N)c1)(C(=O)OC)c1ccccc1 ZINC000914076775 664374900 /nfs/dbraw/zinc/37/49/00/664374900.db2.gz KSGXYSVOVMQICH-KRWDZBQOSA-N -1 1 378.475 2.518 20 30 GFEDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccc(Cl)cc1 ZINC000915089628 664420873 /nfs/dbraw/zinc/42/08/73/664420873.db2.gz GOBJBHWCMXOSHU-HNNXBMFYSA-N -1 1 398.893 2.997 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCOCC2)cc1 ZINC000014097835 221298615 /nfs/dbraw/zinc/29/86/15/221298615.db2.gz NOJQKJWJRNEKDE-UHFFFAOYSA-N -1 1 377.853 2.849 20 30 GFEDMM Cc1csc([C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C2CC2)n1 ZINC000122272140 551296609 /nfs/dbraw/zinc/29/66/09/551296609.db2.gz CYJKGDPWUXWHSS-CQSZACIVSA-N -1 1 378.435 2.661 20 30 GFEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000153969220 551463997 /nfs/dbraw/zinc/46/39/97/551463997.db2.gz GOFIBGPHHWDOKT-UHFFFAOYSA-N -1 1 395.234 2.908 20 30 GFEDMM COC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccc(C)o1 ZINC000155267384 551495630 /nfs/dbraw/zinc/49/56/30/551495630.db2.gz IGRALJGDNXEXSF-AWEZNQCLSA-N -1 1 399.266 2.888 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1Br ZINC000432761408 563592599 /nfs/dbraw/zinc/59/25/99/563592599.db2.gz TXNSRDWPPWVVNH-UHFFFAOYSA-N -1 1 377.223 2.998 20 30 GFEDMM N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(Br)cc3[O-])C2)nc1 ZINC000436874055 563684463 /nfs/dbraw/zinc/68/44/63/563684463.db2.gz YUECMFIOWQZTBV-ZDUSSCGKSA-N -1 1 388.221 2.715 20 30 GFEDMM C=CCSCCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000508842009 564274241 /nfs/dbraw/zinc/27/42/41/564274241.db2.gz ABBWGOYWCPZYFG-UHFFFAOYSA-N -1 1 385.461 2.914 20 30 GFEDMM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451226642 564289147 /nfs/dbraw/zinc/28/91/47/564289147.db2.gz JLDUYGVQYONJOA-OTYXRUKQSA-N -1 1 393.278 2.535 20 30 GFEDMM CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451263506 564292903 /nfs/dbraw/zinc/29/29/03/564292903.db2.gz RBASPRHBBMKTIC-GXSJLCMTSA-N -1 1 393.278 2.535 20 30 GFEDMM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000511355840 564369265 /nfs/dbraw/zinc/36/92/65/564369265.db2.gz AOLDAMUPPLCICW-UHFFFAOYSA-N -1 1 387.795 2.686 20 30 GFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1C(N)=O ZINC000553312501 564715902 /nfs/dbraw/zinc/71/59/02/564715902.db2.gz KPZIZINDCSIERO-UHFFFAOYSA-N -1 1 375.475 2.901 20 30 GFEDMM COCC1(CC[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC000584050694 564917983 /nfs/dbraw/zinc/91/79/83/564917983.db2.gz JEIPVFYZGYOWCZ-UHFFFAOYSA-N -1 1 391.262 2.555 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)c(Cl)c1 ZINC000504688253 565042851 /nfs/dbraw/zinc/04/28/51/565042851.db2.gz XPNXMIHKISUPMR-UHFFFAOYSA-N -1 1 380.809 2.866 20 30 GFEDMM CC(C)OCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)no1 ZINC000589308290 565160108 /nfs/dbraw/zinc/16/01/08/565160108.db2.gz BTDJNVLTZRGGIF-JTQLQIEISA-N -1 1 384.845 2.559 20 30 GFEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594464801 565390017 /nfs/dbraw/zinc/39/00/17/565390017.db2.gz ZFFHFYZUWMMMBV-MEBBXXQBSA-N -1 1 391.848 2.525 20 30 GFEDMM O=S(=O)([N-][C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1ccc(F)cc1C(F)(F)F ZINC000644278136 565469121 /nfs/dbraw/zinc/46/91/21/565469121.db2.gz GDZKOVDQOKEOPC-KCJUWKMLSA-N -1 1 395.296 2.969 20 30 GFEDMM N#Cc1cccc(COc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2)c1 ZINC000737730006 598993197 /nfs/dbraw/zinc/99/31/97/598993197.db2.gz CNFDLKAKSLADOL-UHFFFAOYSA-N -1 1 397.398 2.965 20 30 GFEDMM N#Cc1cccc(COc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)c2)c1 ZINC000737730006 598993200 /nfs/dbraw/zinc/99/32/00/598993200.db2.gz CNFDLKAKSLADOL-UHFFFAOYSA-N -1 1 397.398 2.965 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(O[C@@H](C)C#N)cc2)o1 ZINC000735851370 598496161 /nfs/dbraw/zinc/49/61/61/598496161.db2.gz RPLRQBBMBVJZKN-LBPRGKRZSA-N -1 1 380.412 2.790 20 30 GFEDMM COc1ccc(OC)c(CN2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738047688 600562525 /nfs/dbraw/zinc/56/25/25/600562525.db2.gz IZWOYHWXBLFSLE-NRFANRHFSA-N -1 1 395.459 2.519 20 30 GFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000739104490 600567767 /nfs/dbraw/zinc/56/77/67/600567767.db2.gz GTWSWIROIQYUIH-IBGZPJMESA-N -1 1 379.416 2.891 20 30 GFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000825966696 601132618 /nfs/dbraw/zinc/13/26/18/601132618.db2.gz KKZWADFVJAUEPB-HUUCEWRRSA-N -1 1 390.509 2.951 20 30 GFEDMM Cc1cccc(C(=O)N2CCCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)c1 ZINC000832963927 601310361 /nfs/dbraw/zinc/31/03/61/601310361.db2.gz YDLUTNKHJGLELT-FQEVSTJZSA-N -1 1 377.444 2.841 20 30 GFEDMM Cc1sc(C(=O)[O-])cc1CON=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000833031874 601640606 /nfs/dbraw/zinc/64/06/06/601640606.db2.gz UWIUYHZTMBTACO-UHFFFAOYSA-N -1 1 389.477 2.553 20 30 GFEDMM N#Cc1c(NC(=O)CCN2CC[C@@H](NC(=O)[O-])C2)sc2c1CCCCC2 ZINC000740311178 604381978 /nfs/dbraw/zinc/38/19/78/604381978.db2.gz ODKSHVRHLSEGGQ-GFCCVEGCSA-N -1 1 376.482 2.559 20 30 GFEDMM C#CCOc1ccc(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000743263377 604990779 /nfs/dbraw/zinc/99/07/79/604990779.db2.gz CQBKBKNLVQEOIC-UHFFFAOYSA-N -1 1 383.784 2.990 20 30 GFEDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1-c1ccccc1C#N ZINC000833625175 605156070 /nfs/dbraw/zinc/15/60/70/605156070.db2.gz JYZQMIOIKKYKSO-MRXNPFEDSA-N -1 1 377.444 2.846 20 30 GFEDMM COc1ccc(S(=O)(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1C(=O)[O-] ZINC000833734532 605302488 /nfs/dbraw/zinc/30/24/88/605302488.db2.gz LFRGSNFMCJWYHO-UHFFFAOYSA-N -1 1 396.808 2.728 20 30 GFEDMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000822010226 606358728 /nfs/dbraw/zinc/35/87/28/606358728.db2.gz TWOVGZPFVDJDJI-CYBMUJFWSA-N -1 1 392.419 2.693 20 30 GFEDMM COc1nc(Cl)c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)s1 ZINC000826221375 607887917 /nfs/dbraw/zinc/88/79/17/607887917.db2.gz BPHGBRGDZDFNDR-UHFFFAOYSA-N -1 1 382.837 2.717 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(Br)nc2)o1 ZINC000824352605 607930967 /nfs/dbraw/zinc/93/09/67/607930967.db2.gz KAWLEHKYUQUAIC-UHFFFAOYSA-N -1 1 377.206 2.582 20 30 GFEDMM CCOC(=O)[C@@H]1CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)[C@H](C)C1 ZINC000825498708 608054111 /nfs/dbraw/zinc/05/41/11/608054111.db2.gz AZSRYIUTVVLGKV-GHMZBOCLSA-N -1 1 375.433 2.745 20 30 GFEDMM Cc1cc(C)n(N=Cc2c(Cl)cccc2N2CCCC2)c(=O)c1-c1nn[n-]n1 ZINC000826265200 608110576 /nfs/dbraw/zinc/11/05/76/608110576.db2.gz PKPCTPQXHRLKKL-UHFFFAOYSA-N -1 1 397.870 2.781 20 30 GFEDMM C=CCn1c(Sc2ccc(-c3nnn[n-]3)nn2)nnc1-c1ccc(C)cc1 ZINC000823937458 608434115 /nfs/dbraw/zinc/43/41/15/608434115.db2.gz YQOHTYSYGGBTED-UHFFFAOYSA-N -1 1 377.437 2.561 20 30 GFEDMM C=CCn1c(Sc2ccc(-c3nn[n-]n3)nn2)nnc1-c1ccc(C)cc1 ZINC000823937458 608434117 /nfs/dbraw/zinc/43/41/17/608434117.db2.gz YQOHTYSYGGBTED-UHFFFAOYSA-N -1 1 377.437 2.561 20 30 GFEDMM C=CC[C@@H](CO)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823888669 608561655 /nfs/dbraw/zinc/56/16/55/608561655.db2.gz SWMDJCQFKXXSSU-CYBMUJFWSA-N -1 1 397.410 2.713 20 30 GFEDMM C=CC[C@@H](CO)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823888669 608561656 /nfs/dbraw/zinc/56/16/56/608561656.db2.gz SWMDJCQFKXXSSU-CYBMUJFWSA-N -1 1 397.410 2.713 20 30 GFEDMM Cn1cc(C=CC(=O)c2cc(O)ccc2[O-])c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826359450 609309448 /nfs/dbraw/zinc/30/94/48/609309448.db2.gz HTFBYPPXLFAUSU-VURMDHGXSA-N -1 1 388.387 2.575 20 30 GFEDMM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000819892652 660272693 /nfs/dbraw/zinc/27/26/93/660272693.db2.gz IWZWKYQVCZYBFU-KWQFWETISA-N -1 1 381.237 2.771 20 30 GFEDMM N#Cc1ccc(F)c(CNC(=O)c2ccc(I)c([O-])c2)c1 ZINC000760896020 655994289 /nfs/dbraw/zinc/99/42/89/655994289.db2.gz CFUGGQSGWPSHGY-UHFFFAOYSA-N -1 1 396.159 2.938 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=Cc1ccc(C(F)(F)F)s1 ZINC000761812350 656022090 /nfs/dbraw/zinc/02/20/90/656022090.db2.gz ZXGOPTHBNKKMDF-UHFFFAOYSA-N -1 1 379.341 2.988 20 30 GFEDMM Cc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1C#N ZINC000765925661 656154909 /nfs/dbraw/zinc/15/49/09/656154909.db2.gz JNNWPYCEIJLQPV-UHFFFAOYSA-N -1 1 388.221 2.590 20 30 GFEDMM Cn1cnc(S(=O)(=O)[N-][C@@H](C#N)c2cccc(C(F)(F)F)c2)c1Cl ZINC000770730151 656328699 /nfs/dbraw/zinc/32/86/99/656328699.db2.gz SEFBMEGCQZARQY-JTQLQIEISA-N -1 1 378.763 2.635 20 30 GFEDMM Cc1cc(Br)c([O-])c(CN(CCC#N)CCN2CCOCC2)c1 ZINC000781901984 657087415 /nfs/dbraw/zinc/08/74/15/657087415.db2.gz XKRIJEVXZDRJMD-UHFFFAOYSA-N -1 1 382.302 2.511 20 30 GFEDMM N#Cc1ccc([O-])c(NC(=O)c2cc(I)ccc2O)c1 ZINC000790822866 658029614 /nfs/dbraw/zinc/02/96/14/658029614.db2.gz WLUPMZSNUFNPCI-UHFFFAOYSA-N -1 1 380.141 2.826 20 30 GFEDMM CC1(C)CC(=NNc2nc3[nH][n-]cc-3c(=O)n2)c2cc(Br)ccc21 ZINC000794507311 658553449 /nfs/dbraw/zinc/55/34/49/658553449.db2.gz IFGAORIHUKHBMZ-UHFFFAOYSA-N -1 1 387.241 2.692 20 30 GFEDMM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000849412643 661718882 /nfs/dbraw/zinc/71/88/82/661718882.db2.gz UNXFQMNJSJULCR-NEPJUHHUSA-N -1 1 376.320 2.904 20 30 GFEDMM Cc1nc(S(=O)(=O)[N-]C2CCN(c3ccccc3C#N)CC2)sc1C ZINC000867612125 662562717 /nfs/dbraw/zinc/56/27/17/662562717.db2.gz SKUMEAXAMOFXSO-UHFFFAOYSA-N -1 1 376.507 2.579 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)cc1 ZINC000055639409 551173674 /nfs/dbraw/zinc/17/36/74/551173674.db2.gz DBIXJRLURILYGS-UHFFFAOYSA-N -1 1 375.837 2.905 20 30 GFEDMM N#Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)cc1 ZINC000314300156 563438623 /nfs/dbraw/zinc/43/86/23/563438623.db2.gz DTILPDJOJGYNHW-UHFFFAOYSA-N -1 1 381.207 2.820 20 30 GFEDMM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(=O)NCCC(F)(F)F ZINC000411266655 563613064 /nfs/dbraw/zinc/61/30/64/563613064.db2.gz KEBPFCXAGRCVMT-SECBINFHSA-N -1 1 378.219 2.753 20 30 GFEDMM C[C@@H](NC(=O)C(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(F)(F)F ZINC000411531918 563622288 /nfs/dbraw/zinc/62/22/88/563622288.db2.gz YPAXBEJWHQCCNZ-MLUIRONXSA-N -1 1 378.219 2.751 20 30 GFEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(I)c([O-])c1 ZINC000437503619 563695971 /nfs/dbraw/zinc/69/59/71/563695971.db2.gz XZKUAANOEJMRBZ-SMDDNHRTSA-N -1 1 387.217 2.708 20 30 GFEDMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H](O)C(C)C ZINC000416613140 563853881 /nfs/dbraw/zinc/85/38/81/563853881.db2.gz DHFMSVKYPQZYNH-GXTWGEPZSA-N -1 1 393.278 2.534 20 30 GFEDMM CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000540338153 564246013 /nfs/dbraw/zinc/24/60/13/564246013.db2.gz QXBUKCVNWOAGDY-UHFFFAOYSA-N -1 1 384.866 2.557 20 30 GFEDMM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451243811 564291298 /nfs/dbraw/zinc/29/12/98/564291298.db2.gz CUXYCTZZHVSVMA-VIFPVBQESA-N -1 1 393.278 2.942 20 30 GFEDMM C=CCOC[C@@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)OC ZINC000451488218 564319138 /nfs/dbraw/zinc/31/91/38/564319138.db2.gz CTOSAOVFNQEGME-LLVKDONJSA-N -1 1 389.882 2.577 20 30 GFEDMM CCC[C@@H](C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)OC ZINC000451639380 564334070 /nfs/dbraw/zinc/33/40/70/564334070.db2.gz LQGYKDZGFWODOU-JTQLQIEISA-N -1 1 379.251 2.553 20 30 GFEDMM CC#CCC[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000476524095 564343182 /nfs/dbraw/zinc/34/31/82/564343182.db2.gz VISYOOZYNDWERV-UHFFFAOYSA-N -1 1 393.646 2.641 20 30 GFEDMM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000452030081 564385086 /nfs/dbraw/zinc/38/50/86/564385086.db2.gz LTBMBFBYZIWGIS-MRVPVSSYSA-N -1 1 386.670 2.847 20 30 GFEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C[S@](C)=O)c2)n1 ZINC000518670806 564559745 /nfs/dbraw/zinc/55/97/45/564559745.db2.gz LWARRIHNOOVLSN-SHZVTRLKSA-N -1 1 376.459 2.688 20 30 GFEDMM COc1cc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c(Cl)cc1C(=O)[O-] ZINC000485267508 564611459 /nfs/dbraw/zinc/61/14/59/564611459.db2.gz POHRFSAZUQNTIE-UHFFFAOYSA-N -1 1 384.772 2.858 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3Br)CC2)o1 ZINC000490511977 564775144 /nfs/dbraw/zinc/77/51/44/564775144.db2.gz JMGAVZKSKMVQSW-UHFFFAOYSA-N -1 1 381.251 2.967 20 30 GFEDMM N#Cc1c(Br)cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000555530704 564797045 /nfs/dbraw/zinc/79/70/45/564797045.db2.gz SBSPOBBUVTZBPY-UHFFFAOYSA-N -1 1 381.207 2.820 20 30 GFEDMM N#CCC1(CS(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC(F)(F)F)CC1 ZINC000581611015 564809661 /nfs/dbraw/zinc/80/96/61/564809661.db2.gz KUIDLIFJPGVYGG-UHFFFAOYSA-N -1 1 378.328 2.719 20 30 GFEDMM COC(=O)C(C)(C)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593569603 565342851 /nfs/dbraw/zinc/34/28/51/565342851.db2.gz YCVYSVIBPLLWDH-HNNXBMFYSA-N -1 1 378.475 2.839 20 30 GFEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)ccc1Cl ZINC000603974581 565921153 /nfs/dbraw/zinc/92/11/53/565921153.db2.gz UAAPVQCSSIKCJO-UHFFFAOYSA-N -1 1 375.837 2.905 20 30 GFEDMM CCCS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000609984852 566060335 /nfs/dbraw/zinc/06/03/35/566060335.db2.gz IPZMMMYFAABCOF-UHFFFAOYSA-N -1 1 379.463 2.511 20 30 GFEDMM N#C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C1CC1 ZINC000737676116 598536758 /nfs/dbraw/zinc/53/67/58/598536758.db2.gz UXLCHPRVYSQTBV-HNNXBMFYSA-N -1 1 378.367 2.830 20 30 GFEDMM N#C[C@H](NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C1CC1 ZINC000737676116 598536759 /nfs/dbraw/zinc/53/67/59/598536759.db2.gz UXLCHPRVYSQTBV-HNNXBMFYSA-N -1 1 378.367 2.830 20 30 GFEDMM Cc1cc(C(=O)Nc2nc(-c3nn[nH]n3)c(C#N)[n-]2)c(C)n1C1CCCCC1 ZINC000737237959 598556057 /nfs/dbraw/zinc/55/60/57/598556057.db2.gz FSRFULCZRGHMPA-UHFFFAOYSA-N -1 1 379.428 2.637 20 30 GFEDMM N#Cc1[n-]c(NC(=O)C[C@@H](Cc2ccccc2)c2ccccc2)nc1-c1nn[nH]n1 ZINC000822814896 599314276 /nfs/dbraw/zinc/31/42/76/599314276.db2.gz KTJCLTRKDMQPPI-MRXNPFEDSA-N -1 1 398.430 2.817 20 30 GFEDMM FC(F)(F)c1ccccc1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000822729177 599332759 /nfs/dbraw/zinc/33/27/59/599332759.db2.gz VJGOBBOXCPMXIS-UHFFFAOYSA-N -1 1 381.343 2.799 20 30 GFEDMM FC(F)(F)c1ccccc1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)o1 ZINC000822729177 599332762 /nfs/dbraw/zinc/33/27/62/599332762.db2.gz VJGOBBOXCPMXIS-UHFFFAOYSA-N -1 1 381.343 2.799 20 30 GFEDMM Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(C)C[C@@H](C)C(=O)[O-])c1C#N ZINC000738252390 600366781 /nfs/dbraw/zinc/36/67/81/600366781.db2.gz AZWBWUCVKULULB-GFCCVEGCSA-N -1 1 386.427 2.696 20 30 GFEDMM N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cn2)c1 ZINC000604571220 600675908 /nfs/dbraw/zinc/67/59/08/600675908.db2.gz FVAQUWPUYVXDBI-UHFFFAOYSA-N -1 1 384.373 2.573 20 30 GFEDMM COc1cc(C#N)ccc1OCCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000737843970 600713465 /nfs/dbraw/zinc/71/34/65/600713465.db2.gz CYAUVLZFSGQKMC-INIZCTEOSA-N -1 1 395.459 2.855 20 30 GFEDMM Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832849584 601524901 /nfs/dbraw/zinc/52/49/01/601524901.db2.gz KKRDZPMUKOZDMI-KZULUSFZSA-N -1 1 398.438 2.696 20 30 GFEDMM C=CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccccc1 ZINC000823937465 607537237 /nfs/dbraw/zinc/53/72/37/607537237.db2.gz YWCXQWXRCOHREI-UHFFFAOYSA-N -1 1 376.449 2.999 20 30 GFEDMM C=CCn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccccc1 ZINC000823937465 607537239 /nfs/dbraw/zinc/53/72/39/607537239.db2.gz YWCXQWXRCOHREI-UHFFFAOYSA-N -1 1 376.449 2.999 20 30 GFEDMM C[C@@H](NC(=O)[O-])C1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000739089420 602446260 /nfs/dbraw/zinc/44/62/60/602446260.db2.gz LFMZJMUWJGFHKN-SIRSKZSMSA-N -1 1 378.517 2.674 20 30 GFEDMM N#Cc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000826386195 607572158 /nfs/dbraw/zinc/57/21/58/607572158.db2.gz TVEAJRMLNAQJOS-UHFFFAOYSA-N -1 1 395.322 2.525 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000824280850 607652833 /nfs/dbraw/zinc/65/28/33/607652833.db2.gz WSIOFKFGXHCFPU-UHFFFAOYSA-N -1 1 395.383 2.889 20 30 GFEDMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000833421481 604953575 /nfs/dbraw/zinc/95/35/75/604953575.db2.gz PHPWMNRHAGFHCG-INIZCTEOSA-N -1 1 395.463 2.505 20 30 GFEDMM C[C@H](C(=O)[O-])n1cccc1CN=Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000833405340 605038764 /nfs/dbraw/zinc/03/87/64/605038764.db2.gz DQZZSVDHEHELRO-SNVBAGLBSA-N -1 1 389.355 2.873 20 30 GFEDMM C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CCN1CCC(=O)[O-] ZINC000833621225 605407788 /nfs/dbraw/zinc/40/77/88/605407788.db2.gz ITLWSAZRQGVQHQ-INIZCTEOSA-N -1 1 393.443 2.972 20 30 GFEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000779844454 605597117 /nfs/dbraw/zinc/59/71/17/605597117.db2.gz JZGSIOAIQNQIBR-VIFPVBQESA-N -1 1 382.344 2.755 20 30 GFEDMM CC(=O)N1CCC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c2ccccc2C1 ZINC000823975181 609409797 /nfs/dbraw/zinc/40/97/97/609409797.db2.gz VNKXBSRVZIJBGN-UHFFFAOYSA-N -1 1 394.439 2.547 20 30 GFEDMM O=C([O-])c1ccc2c(C=NNc3ccc(-c4nn[nH]n4)c(Cl)c3)n[nH]c2c1 ZINC000826461822 609472627 /nfs/dbraw/zinc/47/26/27/609472627.db2.gz HOQKQWROXITZSJ-UHFFFAOYSA-N -1 1 382.771 2.541 20 30 GFEDMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)ccc1Cl ZINC000821172895 660317832 /nfs/dbraw/zinc/31/78/32/660317832.db2.gz ICXISYONEBXXOA-UHFFFAOYSA-N -1 1 388.829 2.555 20 30 GFEDMM C=CCOC(=O)c1sc2[n-]c(CS(=O)(=O)CCCC)nc(=O)c2c1C ZINC000276518451 655277917 /nfs/dbraw/zinc/27/79/17/655277917.db2.gz AGDXJMFXGNDAOR-UHFFFAOYSA-N -1 1 384.479 2.763 20 30 GFEDMM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)cn1 ZINC000576915012 655454578 /nfs/dbraw/zinc/45/45/78/655454578.db2.gz PJGBEDCIRKWJSN-UHFFFAOYSA-N -1 1 381.255 2.583 20 30 GFEDMM C=CCC1(O)CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000717889798 655523971 /nfs/dbraw/zinc/52/39/71/655523971.db2.gz ZRPIYWPDDZSNFG-UHFFFAOYSA-N -1 1 387.217 2.540 20 30 GFEDMM O=c1nc(C=N[O-])ccn1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000736301910 655661523 /nfs/dbraw/zinc/66/15/23/655661523.db2.gz CWFRYNLRFSJMST-UHFFFAOYSA-N -1 1 375.182 2.517 20 30 GFEDMM COc1cc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1SC ZINC000748248140 655789066 /nfs/dbraw/zinc/78/90/66/655789066.db2.gz HRUPCMBZYMFXNI-UHFFFAOYSA-N -1 1 381.435 2.638 20 30 GFEDMM O=C([N-][C@H]1CCC[C@@H](CNC(=O)C(F)(F)C(F)F)C1)C(F)(F)C(F)F ZINC000749388518 655804025 /nfs/dbraw/zinc/80/40/25/655804025.db2.gz YBVYXNYBTXVGGE-RQJHMYQMSA-N -1 1 384.267 2.578 20 30 GFEDMM Cc1cc(Cl)cc2c1OCCC2=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000750937266 655818855 /nfs/dbraw/zinc/81/88/55/655818855.db2.gz ITVJTEUBARBIRB-UHFFFAOYSA-N -1 1 375.837 2.874 20 30 GFEDMM Cc1cc(Br)ccc1C=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000759204241 655950633 /nfs/dbraw/zinc/95/06/33/655950633.db2.gz BZFUSJZIWOHSCO-UHFFFAOYSA-N -1 1 398.238 2.978 20 30 GFEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000766473223 656172586 /nfs/dbraw/zinc/17/25/86/656172586.db2.gz ADJOQCHAWOYHMA-UHFFFAOYSA-N -1 1 377.223 2.832 20 30 GFEDMM CC(N=Nc1ccc(S(=O)(=O)NC2CC2)cn1)c1ccc([O-])c(Cl)c1 ZINC000768774711 656250958 /nfs/dbraw/zinc/25/09/58/656250958.db2.gz ZQUNAPWRVJIBFW-UHFFFAOYSA-N -1 1 380.857 2.717 20 30 GFEDMM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CCC2 ZINC000779944542 656969402 /nfs/dbraw/zinc/96/94/02/656969402.db2.gz QKSIMNQBQIMYGZ-LBPRGKRZSA-N -1 1 378.435 2.587 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnc3c(C)cc(Br)cn23)c(=O)o1 ZINC000783698283 657252696 /nfs/dbraw/zinc/25/26/96/657252696.db2.gz ZJDKCNQUSXUUNF-NHZBNJEXSA-N -1 1 389.205 2.633 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(I)c2)c(=O)o1 ZINC000789126336 657821200 /nfs/dbraw/zinc/82/12/00/657821200.db2.gz FYGHKTZHTDGIPF-GEXIGZQTSA-N -1 1 382.153 2.519 20 30 GFEDMM O=[N+]([O-])c1c(Cl)cc(Cl)cc1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000811638184 660013878 /nfs/dbraw/zinc/01/38/78/660013878.db2.gz JOAGZUUZFCMRDI-UHFFFAOYSA-N -1 1 399.215 2.974 20 30 GFEDMM C=CCCCCC[N-]S(=O)(=O)c1cc(C(=O)OC)oc1Br ZINC000848475007 661652885 /nfs/dbraw/zinc/65/28/85/661652885.db2.gz KPNGMKSDJJLTAD-UHFFFAOYSA-N -1 1 380.260 2.853 20 30 GFEDMM C#CC[C@H](COC)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000859430521 662162299 /nfs/dbraw/zinc/16/22/99/662162299.db2.gz RZBHJKCQFRGDCK-MRVPVSSYSA-N -1 1 384.654 2.558 20 30 GFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl)C(=O)OCC ZINC000867589884 662561316 /nfs/dbraw/zinc/56/13/16/662561316.db2.gz RHDHBKGYPARYBL-GXSJLCMTSA-N -1 1 378.705 2.564 20 30 GFEDMM N#CC(=C([O-])c1cc(Br)cn2ccnc12)c1nnc2n1CCCCC2 ZINC000870163316 662677352 /nfs/dbraw/zinc/67/73/52/662677352.db2.gz XKVVATGRHILKBN-CYBMUJFWSA-N -1 1 399.252 2.905 20 30 GFEDMM C=CC(C)(C)NS(=O)(=O)c1ccc(CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000908466085 664108969 /nfs/dbraw/zinc/10/89/69/664108969.db2.gz DRUFCNSDDPYXKE-UHFFFAOYSA-N -1 1 378.416 2.541 20 30 GFEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000008294883 221035214 /nfs/dbraw/zinc/03/52/14/221035214.db2.gz UVWZJYCUCMZYSP-UHFFFAOYSA-N -1 1 375.406 2.620 20 30 GFEDMM CCc1c(C)sc([N-]C(=O)c2nc3ncc(Br)cn3n2)c1C#N ZINC000068677084 551193069 /nfs/dbraw/zinc/19/30/69/551193069.db2.gz UTUIDBFPDGCMQJ-UHFFFAOYSA-N -1 1 391.254 2.943 20 30 GFEDMM Cc1nc2nc(S(=O)(=O)Cc3ccc(C#N)cc3)[n-]c2cc1Br ZINC000152023214 551424878 /nfs/dbraw/zinc/42/48/78/551424878.db2.gz JTPSCRMWQMJLRK-UHFFFAOYSA-N -1 1 391.250 2.874 20 30 GFEDMM Cc1[n-]c2nc(S(=O)(=O)Cc3ccc(C#N)cc3)nc-2cc1Br ZINC000152023214 551424881 /nfs/dbraw/zinc/42/48/81/551424881.db2.gz JTPSCRMWQMJLRK-UHFFFAOYSA-N -1 1 391.250 2.874 20 30 GFEDMM N#CC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CC1 ZINC000160868682 551586265 /nfs/dbraw/zinc/58/62/65/551586265.db2.gz WIGPSUBFUOYAPA-UHFFFAOYSA-N -1 1 375.837 2.927 20 30 GFEDMM CSc1nc(C)c(CCC(=O)N[C@H](C#N)c2ccccc2Cl)c(=O)[n-]1 ZINC000172033529 551669222 /nfs/dbraw/zinc/66/92/22/551669222.db2.gz JKENRSLXYRXFPB-CQSZACIVSA-N -1 1 376.869 2.767 20 30 GFEDMM N#CC1(NC(=O)c2cc(I)ccc2[O-])CCSCC1 ZINC000189768633 552479944 /nfs/dbraw/zinc/47/99/44/552479944.db2.gz JMDZKJSRAPEHCB-UHFFFAOYSA-N -1 1 388.230 2.516 20 30 GFEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1C ZINC000192130059 552552366 /nfs/dbraw/zinc/55/23/66/552552366.db2.gz PHJDSGZTYXZRNU-CQSZACIVSA-N -1 1 378.475 2.790 20 30 GFEDMM COc1ccc(-c2nnc(S(=O)(=O)CCCCC#N)[n-]2)cc1Br ZINC000195223927 553041335 /nfs/dbraw/zinc/04/13/35/553041335.db2.gz FTBWEVHHLKGYBO-UHFFFAOYSA-N -1 1 399.270 2.710 20 30 GFEDMM COc1ccc(-c2nc(S(=O)(=O)CCCCC#N)n[n-]2)cc1Br ZINC000195223927 553041336 /nfs/dbraw/zinc/04/13/36/553041336.db2.gz FTBWEVHHLKGYBO-UHFFFAOYSA-N -1 1 399.270 2.710 20 30 GFEDMM C[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C1CCOCC1 ZINC000296060668 563272740 /nfs/dbraw/zinc/27/27/40/563272740.db2.gz BJWMYCOXLYCYLR-SECBINFHSA-N -1 1 391.262 2.553 20 30 GFEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(S(C)(=O)=O)c2)ccc1C#N ZINC000435713910 563657177 /nfs/dbraw/zinc/65/71/77/563657177.db2.gz HNTUVQJPTKUEEZ-UHFFFAOYSA-N -1 1 384.866 2.724 20 30 GFEDMM N=C(NOC(=O)CCCSc1nc(C(F)F)cc(=O)[n-]1)c1cccs1 ZINC000289544360 563678110 /nfs/dbraw/zinc/67/81/10/563678110.db2.gz OJLXZGYHZUMVPL-UHFFFAOYSA-N -1 1 388.421 2.917 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(I)c([O-])c1 ZINC000437503616 563695880 /nfs/dbraw/zinc/69/58/80/563695880.db2.gz XZKUAANOEJMRBZ-RISCZKNCSA-N -1 1 387.217 2.708 20 30 GFEDMM N#Cc1ccc(C(=O)N[C@@H](CCO)c2ccccc2Br)cc1[O-] ZINC000443119950 563792677 /nfs/dbraw/zinc/79/26/77/563792677.db2.gz UCZONORIJUJBOK-HNNXBMFYSA-N -1 1 375.222 2.880 20 30 GFEDMM CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2Br)c1C ZINC000416942296 563863711 /nfs/dbraw/zinc/86/37/11/563863711.db2.gz DBCQOVKVIFQZLD-UHFFFAOYSA-N -1 1 383.271 2.955 20 30 GFEDMM CCN(CC)c1[nH]nc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c1C#N ZINC000446762484 563868576 /nfs/dbraw/zinc/86/85/76/563868576.db2.gz PWJVBXVNCRBUCC-UHFFFAOYSA-N -1 1 385.852 2.862 20 30 GFEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000540294483 564244619 /nfs/dbraw/zinc/24/46/19/564244619.db2.gz LEJPLPWGSOLKGV-UHFFFAOYSA-N -1 1 398.893 2.866 20 30 GFEDMM C=C(C)CN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000450967451 564257045 /nfs/dbraw/zinc/25/70/45/564257045.db2.gz HXTKAOWPQOYHBJ-UHFFFAOYSA-N -1 1 378.491 2.564 20 30 GFEDMM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451228719 564289085 /nfs/dbraw/zinc/28/90/85/564289085.db2.gz NWEODRUHEQGXKI-CYBMUJFWSA-N -1 1 393.278 2.535 20 30 GFEDMM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451373966 564305883 /nfs/dbraw/zinc/30/58/83/564305883.db2.gz IPGISGNNHQIRHP-NOZJJQNGSA-N -1 1 391.262 2.553 20 30 GFEDMM COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000511349620 564369153 /nfs/dbraw/zinc/36/91/53/564369153.db2.gz FVMFHEQIDVBXLV-UHFFFAOYSA-N -1 1 387.795 2.686 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CCOCC2CCC2)cc1Br ZINC000570160229 564494105 /nfs/dbraw/zinc/49/41/05/564494105.db2.gz HSZBUFVRKFZMFL-UHFFFAOYSA-N -1 1 391.262 2.555 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000485222548 564611042 /nfs/dbraw/zinc/61/10/42/564611042.db2.gz KTCCOXCXICPADK-UHFFFAOYSA-N -1 1 381.753 2.619 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c1 ZINC000577242614 564731008 /nfs/dbraw/zinc/73/10/08/564731008.db2.gz FXFNBDISVLLKET-NSHDSACASA-N -1 1 383.189 2.940 20 30 GFEDMM C=C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000581868941 564820890 /nfs/dbraw/zinc/82/08/90/564820890.db2.gz JDGAVLNFFMYWEN-MRVPVSSYSA-N -1 1 383.209 2.599 20 30 GFEDMM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(SC)cc1 ZINC000593544027 565339488 /nfs/dbraw/zinc/33/94/88/565339488.db2.gz SYDAHYNXSGLMOZ-ZDUSSCGKSA-N -1 1 396.515 2.924 20 30 GFEDMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1Cl ZINC000619461773 565342844 /nfs/dbraw/zinc/34/28/44/565342844.db2.gz FLVPTBBUKQESRM-UHFFFAOYSA-N -1 1 377.853 2.909 20 30 GFEDMM CC(C)(C)OCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000594849632 565429177 /nfs/dbraw/zinc/42/91/77/565429177.db2.gz QNGBUXKJSFTNII-UHFFFAOYSA-N -1 1 393.278 2.943 20 30 GFEDMM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737280273 598991522 /nfs/dbraw/zinc/99/15/22/598991522.db2.gz OZBZRWIKKUYBSN-UHFFFAOYSA-N -1 1 398.386 2.881 20 30 GFEDMM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737280273 598991524 /nfs/dbraw/zinc/99/15/24/598991524.db2.gz OZBZRWIKKUYBSN-UHFFFAOYSA-N -1 1 398.386 2.881 20 30 GFEDMM CN1CC[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000820620331 597606385 /nfs/dbraw/zinc/60/63/85/597606385.db2.gz JYQWTSINOKVDMG-NJAPINKUSA-N -1 1 381.835 2.593 20 30 GFEDMM N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)cc1 ZINC000135327028 599923918 /nfs/dbraw/zinc/92/39/18/599923918.db2.gz LIWPWGPGERGRAN-UHFFFAOYSA-N -1 1 399.197 2.959 20 30 GFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000739106528 600564304 /nfs/dbraw/zinc/56/43/04/600564304.db2.gz SZOKMWXKCLERTB-IBGZPJMESA-N -1 1 381.407 2.671 20 30 GFEDMM C#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000736075742 600899538 /nfs/dbraw/zinc/89/95/38/600899538.db2.gz FRTAFZBERDZZBT-UHFFFAOYSA-N -1 1 383.784 2.990 20 30 GFEDMM COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(CCC(=O)[O-])CC1 ZINC000832618321 601841953 /nfs/dbraw/zinc/84/19/53/601841953.db2.gz RQAYCSQPKLWOJV-MRXNPFEDSA-N -1 1 387.480 2.907 20 30 GFEDMM N#Cc1ccc(NC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)cc1Cl ZINC000740314717 601934896 /nfs/dbraw/zinc/93/48/96/601934896.db2.gz AQAGDLIWXQOYPG-UHFFFAOYSA-N -1 1 376.844 2.757 20 30 GFEDMM C=CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1ccncc1 ZINC000823888615 607616087 /nfs/dbraw/zinc/61/60/87/607616087.db2.gz RTZFFBQCONINLU-CQSZACIVSA-N -1 1 390.856 2.511 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000824352786 607652551 /nfs/dbraw/zinc/65/25/51/607652551.db2.gz NPWBIALFPTXBDT-UHFFFAOYSA-N -1 1 381.356 2.814 20 30 GFEDMM O=C([O-])N1CCCc2cccc(C=Nn3c(=O)c4ccccc4[nH]c3=S)c21 ZINC000832018779 604828471 /nfs/dbraw/zinc/82/84/71/604828471.db2.gz QQJXVMZTNZRLLY-UHFFFAOYSA-N -1 1 380.429 2.998 20 30 GFEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)cc1 ZINC000822832780 606339601 /nfs/dbraw/zinc/33/96/01/606339601.db2.gz GJYVHNKALSNZOP-UHFFFAOYSA-N -1 1 394.338 2.558 20 30 GFEDMM N#Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC(F)F)c1 ZINC000822825772 606561495 /nfs/dbraw/zinc/56/14/95/606561495.db2.gz OICVJCZJFJDJDL-UHFFFAOYSA-N -1 1 377.332 2.758 20 30 GFEDMM N#Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC(F)F)c1 ZINC000822825772 606561496 /nfs/dbraw/zinc/56/14/96/606561496.db2.gz OICVJCZJFJDJDL-UHFFFAOYSA-N -1 1 377.332 2.758 20 30 GFEDMM Cc1nn(-c2ccccc2)c(COc2cccc(F)c2-c2nnn[n-]2)c1C#N ZINC000826332906 607866311 /nfs/dbraw/zinc/86/63/11/607866311.db2.gz MJOILHWGJQBDRY-UHFFFAOYSA-N -1 1 375.367 2.951 20 30 GFEDMM Cc1nn(-c2ccccc2)c(COc2cccc(F)c2-c2nn[n-]n2)c1C#N ZINC000826332906 607866312 /nfs/dbraw/zinc/86/63/12/607866312.db2.gz MJOILHWGJQBDRY-UHFFFAOYSA-N -1 1 375.367 2.951 20 30 GFEDMM N#Cc1cccc([C@H]2CN(c3cc(-c4nnn[n-]4)nc4ccccc43)CCO2)c1 ZINC000826386466 608052682 /nfs/dbraw/zinc/05/26/82/608052682.db2.gz GOANCPHAVCNEKD-HXUWFJFHSA-N -1 1 383.415 2.864 20 30 GFEDMM N#Cc1cccc([C@H]2CN(c3cc(-c4nn[n-]n4)nc4ccccc43)CCO2)c1 ZINC000826386466 608052683 /nfs/dbraw/zinc/05/26/83/608052683.db2.gz GOANCPHAVCNEKD-HXUWFJFHSA-N -1 1 383.415 2.864 20 30 GFEDMM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000041868305 654632689 /nfs/dbraw/zinc/63/26/89/654632689.db2.gz DMHWCFSCXURADH-UHFFFAOYSA-N -1 1 383.256 2.892 20 30 GFEDMM [O-]c1ccc(C=NNC(=S)NCCc2ccccn2)cc1Br ZINC000726419823 655534038 /nfs/dbraw/zinc/53/40/38/655534038.db2.gz RVCVLARYTSGVLF-UHFFFAOYSA-N -1 1 379.283 2.590 20 30 GFEDMM N#Cc1ccc(O)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)c1 ZINC000751214645 655823132 /nfs/dbraw/zinc/82/31/32/655823132.db2.gz ANSRRJLNZCTWDY-UHFFFAOYSA-N -1 1 397.206 2.525 20 30 GFEDMM Cc1nc2ccc(C=N[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2s1 ZINC000754951568 655876856 /nfs/dbraw/zinc/87/68/56/655876856.db2.gz YKKYFPOTOKXYNH-UHFFFAOYSA-N -1 1 376.419 2.825 20 30 GFEDMM Cc1ccc(C)c(S(=O)(=O)NN=Cc2cc(O)cc(Br)c2[O-])c1 ZINC000755486928 655884036 /nfs/dbraw/zinc/88/40/36/655884036.db2.gz CLSPCCDYTOXBSD-UHFFFAOYSA-N -1 1 399.266 2.790 20 30 GFEDMM CC(N=Nc1ccc(S(N)(=O)=O)cn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766010198 656157695 /nfs/dbraw/zinc/15/76/95/656157695.db2.gz LCPUXOZJNAUEHU-UHFFFAOYSA-N -1 1 375.237 2.578 20 30 GFEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767733685 656217688 /nfs/dbraw/zinc/21/76/88/656217688.db2.gz WDOGIFMYSDVBFH-UHFFFAOYSA-N -1 1 384.772 2.858 20 30 GFEDMM Cc1ccc(C=N[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Br ZINC000767899980 656226128 /nfs/dbraw/zinc/22/61/28/656226128.db2.gz BQWIRGDHDLCWGS-UHFFFAOYSA-N -1 1 398.238 2.978 20 30 GFEDMM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)[C@@H]1CCCO1 ZINC000773059454 656397922 /nfs/dbraw/zinc/39/79/22/656397922.db2.gz WYERPEGKIBFDKQ-YUMQZZPRSA-N -1 1 384.704 2.623 20 30 GFEDMM C[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1O ZINC000785404774 657361592 /nfs/dbraw/zinc/36/15/92/657361592.db2.gz JOIIXYQQFJEMOH-JTQLQIEISA-N -1 1 380.809 2.915 20 30 GFEDMM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F ZINC000795882487 658867342 /nfs/dbraw/zinc/86/73/42/658867342.db2.gz QZLSFIBNQFUZSV-MRVPVSSYSA-N -1 1 380.235 2.618 20 30 GFEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CCOc2c(Cl)cccc21 ZINC000814865246 660097470 /nfs/dbraw/zinc/09/74/70/660097470.db2.gz PFWGDAWFHLMMAH-UHFFFAOYSA-N -1 1 381.797 2.713 20 30 GFEDMM COCC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000814864522 660097499 /nfs/dbraw/zinc/09/74/99/660097499.db2.gz FNAIHQAJKJWYHY-UHFFFAOYSA-N -1 1 383.813 2.577 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815043306 660106447 /nfs/dbraw/zinc/10/64/47/660106447.db2.gz SXHXDPSPQXXOMR-OTYXRUKQSA-N -1 1 378.809 2.647 20 30 GFEDMM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000859424611 662161796 /nfs/dbraw/zinc/16/17/96/662161796.db2.gz IOIQRBQBSSVSHC-SECBINFHSA-N -1 1 381.237 2.608 20 30 GFEDMM C=C(Cl)C[C@H]([N-]S(=O)(=O)C[C@]1(C)CC1(Cl)Cl)C(=O)OCC ZINC000867589887 662561334 /nfs/dbraw/zinc/56/13/34/662561334.db2.gz RHDHBKGYPARYBL-ONGXEEELSA-N -1 1 378.705 2.564 20 30 GFEDMM CC#CC[C@@H](NCc1cc(Cl)ccc1I)C(=O)[O-] ZINC000904057560 663821210 /nfs/dbraw/zinc/82/12/10/663821210.db2.gz VMEBNMYBDPGZMS-GFCCVEGCSA-N -1 1 377.609 2.901 20 30 GFEDMM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181659 663827123 /nfs/dbraw/zinc/82/71/23/663827123.db2.gz XVPJLKGYXTVFFS-QGZVFWFLSA-N -1 1 385.247 2.633 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)cc1Cl ZINC000917737112 664489603 /nfs/dbraw/zinc/48/96/03/664489603.db2.gz ITMLCCUAWLCUNM-UHFFFAOYSA-N -1 1 377.809 2.969 20 30 GFEDMM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157359303 551536955 /nfs/dbraw/zinc/53/69/55/551536955.db2.gz HMEDKPMTXBDQLN-UHFFFAOYSA-N -1 1 381.797 2.607 20 30 GFEDMM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000185116435 552354710 /nfs/dbraw/zinc/35/47/10/552354710.db2.gz UTZXOTNBNRNZRR-ZETCQYMHSA-N -1 1 389.098 2.971 20 30 GFEDMM CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)no1 ZINC000186209802 552381829 /nfs/dbraw/zinc/38/18/29/552381829.db2.gz QZSDNLPIUGZGKH-UHFFFAOYSA-N -1 1 383.857 2.993 20 30 GFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000376328197 563437968 /nfs/dbraw/zinc/43/79/68/563437968.db2.gz QHHOGSWFPHXLES-VIFPVBQESA-N -1 1 378.797 2.894 20 30 GFEDMM N#Cc1ccc(C(=O)N(CCO)Cc2cc(Br)cs2)cc1[O-] ZINC000427582601 563469863 /nfs/dbraw/zinc/46/98/63/563469863.db2.gz HPOHTCBDSOGGTE-UHFFFAOYSA-N -1 1 381.251 2.723 20 30 GFEDMM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(Br)ccc1[O-] ZINC000436600675 563675100 /nfs/dbraw/zinc/67/51/00/563675100.db2.gz APSUUXKOODZMTK-UHFFFAOYSA-N -1 1 398.220 2.590 20 30 GFEDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H](O)C(C)C ZINC000416613143 563853616 /nfs/dbraw/zinc/85/36/16/563853616.db2.gz DHFMSVKYPQZYNH-TZMCWYRMSA-N -1 1 393.278 2.534 20 30 GFEDMM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000452021252 564383743 /nfs/dbraw/zinc/38/37/43/564383743.db2.gz IJDYOOYXVWLDAW-VIFPVBQESA-N -1 1 386.670 2.847 20 30 GFEDMM N#CC1(NC(=O)c2ccc(I)c([O-])c2)CCSCC1 ZINC000545503511 564426327 /nfs/dbraw/zinc/42/63/27/564426327.db2.gz ZVUFDCRYYDYSJR-UHFFFAOYSA-N -1 1 388.230 2.516 20 30 GFEDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1 ZINC000485999077 564634107 /nfs/dbraw/zinc/63/41/07/564634107.db2.gz DGNWDIGAPGUXOM-CYBMUJFWSA-N -1 1 378.475 2.736 20 30 GFEDMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000462682803 564854432 /nfs/dbraw/zinc/85/44/32/564854432.db2.gz MUYRDNVVKXVUKN-MRVPVSSYSA-N -1 1 397.268 2.617 20 30 GFEDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000497944179 564880684 /nfs/dbraw/zinc/88/06/84/564880684.db2.gz LIBBRCMJIGXIFE-SCZZXKLOSA-N -1 1 383.285 2.825 20 30 GFEDMM CC(C)(COc1ncc(Cl)cc1Cl)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561538203 565000360 /nfs/dbraw/zinc/00/03/60/565000360.db2.gz JPBDYZOXZWBUPZ-UHFFFAOYSA-N -1 1 390.248 2.989 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc3cccnc3cc2Br)o1 ZINC000588120510 565125949 /nfs/dbraw/zinc/12/59/49/565125949.db2.gz MMGUDPXCRJGXPI-UHFFFAOYSA-N -1 1 392.234 2.940 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@H](CO)Cc2ccc(Br)cc2)c1 ZINC000617625985 565248880 /nfs/dbraw/zinc/24/88/80/565248880.db2.gz UEYCCMGACXSEDQ-CQSZACIVSA-N -1 1 389.249 2.607 20 30 GFEDMM N#Cc1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)ccc1Cl ZINC000594488559 565395641 /nfs/dbraw/zinc/39/56/41/565395641.db2.gz SPYGIJMSEWLHLC-ZWNOBZJWSA-N -1 1 382.791 2.990 20 30 GFEDMM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)O1 ZINC000594851939 565429650 /nfs/dbraw/zinc/42/96/50/565429650.db2.gz NFAAFYHEAVYHIO-GXSJLCMTSA-N -1 1 391.262 2.696 20 30 GFEDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1(F)F ZINC000594859376 565431915 /nfs/dbraw/zinc/43/19/15/565431915.db2.gz ZSXDAIZRAAYOGY-NSHDSACASA-N -1 1 383.189 2.783 20 30 GFEDMM CN1CC[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000820620332 597606550 /nfs/dbraw/zinc/60/65/50/597606550.db2.gz JYQWTSINOKVDMG-PUECVXPYSA-N -1 1 381.835 2.593 20 30 GFEDMM C=CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)Cc1ccc(OC)cc1 ZINC000819739964 607363829 /nfs/dbraw/zinc/36/38/29/607363829.db2.gz LXBWGHBEXLNJKX-UHFFFAOYSA-N -1 1 396.451 2.712 20 30 GFEDMM C=CCN(CC1CCCCC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000819739849 599343985 /nfs/dbraw/zinc/34/39/85/599343985.db2.gz JGSIGUKXVPALDA-UHFFFAOYSA-N -1 1 379.461 2.763 20 30 GFEDMM C=CCN(CC1CCCCC1)S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000819739849 599343989 /nfs/dbraw/zinc/34/39/89/599343989.db2.gz JGSIGUKXVPALDA-UHFFFAOYSA-N -1 1 379.461 2.763 20 30 GFEDMM Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832849583 601524874 /nfs/dbraw/zinc/52/48/74/601524874.db2.gz KKRDZPMUKOZDMI-KPZWWZAWSA-N -1 1 398.438 2.696 20 30 GFEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751145908 601837572 /nfs/dbraw/zinc/83/75/72/601837572.db2.gz LSXISJXCMMKGBC-UHFFFAOYSA-N -1 1 382.344 2.734 20 30 GFEDMM N#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833067994 602119880 /nfs/dbraw/zinc/11/98/80/602119880.db2.gz MFUDQAAJLUTKFV-UHFFFAOYSA-N -1 1 384.772 2.880 20 30 GFEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000740066953 602530947 /nfs/dbraw/zinc/53/09/47/602530947.db2.gz OPLBIPDLUZUQOY-QZTJIDSGSA-N -1 1 386.496 2.870 20 30 GFEDMM Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)cc1C ZINC000830342245 604191992 /nfs/dbraw/zinc/19/19/92/604191992.db2.gz WWSGJAXINOJGFI-MSOLQXFVSA-N -1 1 386.496 2.918 20 30 GFEDMM Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1C ZINC000830505585 604227158 /nfs/dbraw/zinc/22/71/58/604227158.db2.gz KXOCZHVGNJHFRF-ROUUACIJSA-N -1 1 386.496 2.918 20 30 GFEDMM C#CC[C@H](NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccccc1 ZINC000833360134 605133034 /nfs/dbraw/zinc/13/30/34/605133034.db2.gz DJZXTMYKPSPSMH-PZJWPPBQSA-N -1 1 389.455 2.634 20 30 GFEDMM C[C@H]1C[C@H](CNC(=O)[O-])CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000833833137 605905458 /nfs/dbraw/zinc/90/54/58/605905458.db2.gz WJZIKUYHUGHTCC-UONOGXRCSA-N -1 1 378.860 2.565 20 30 GFEDMM Cc1nn(-c2ccccc2)c(COc2ccc(C#N)cc2F)c1-c1nn[n-]n1 ZINC000822486892 607171365 /nfs/dbraw/zinc/17/13/65/607171365.db2.gz UTNMCMRUJHNDTC-UHFFFAOYSA-N -1 1 375.367 2.951 20 30 GFEDMM COc1cc(C#N)ccc1Cn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000826177109 608265115 /nfs/dbraw/zinc/26/51/15/608265115.db2.gz RRMIYDBCSLSPRC-UHFFFAOYSA-N -1 1 392.806 2.764 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccn(-c3ccccc3)n2)o1 ZINC000824141934 608317309 /nfs/dbraw/zinc/31/73/09/608317309.db2.gz OSKOQXRGVHTFKG-UHFFFAOYSA-N -1 1 377.412 2.784 20 30 GFEDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000273607707 655150666 /nfs/dbraw/zinc/15/06/66/655150666.db2.gz NJIUGZMGZRLKFE-SSDOTTSWSA-N -1 1 376.385 2.777 20 30 GFEDMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)cc21 ZINC000115311953 655234226 /nfs/dbraw/zinc/23/42/26/655234226.db2.gz KXEULXMRFHCNNJ-UHFFFAOYSA-N -1 1 375.837 2.921 20 30 GFEDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C#N ZINC000746680305 655766478 /nfs/dbraw/zinc/76/64/78/655766478.db2.gz JOXPVTRPKVYSCS-UHFFFAOYSA-N -1 1 381.797 2.607 20 30 GFEDMM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000755442604 655883488 /nfs/dbraw/zinc/88/34/88/655883488.db2.gz LCMPGVQOGQQLAY-JTQLQIEISA-N -1 1 376.232 2.574 20 30 GFEDMM COc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766201770 656164922 /nfs/dbraw/zinc/16/49/22/656164922.db2.gz UWHVXVXSTCHACU-UHFFFAOYSA-N -1 1 397.250 2.513 20 30 GFEDMM C#C[C@@H](C)[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000770362577 656317194 /nfs/dbraw/zinc/31/71/94/656317194.db2.gz XTQBYQLHNKKKFA-ZCFIWIBFSA-N -1 1 385.052 2.651 20 30 GFEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000797842074 659059315 /nfs/dbraw/zinc/05/93/15/659059315.db2.gz USYDOYKRYVJGHM-BXKDBHETSA-N -1 1 395.706 2.757 20 30 GFEDMM C=CCN(CC=C)[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])sc1C)C(C)C ZINC000871946109 662744909 /nfs/dbraw/zinc/74/49/09/662744909.db2.gz LAVNATPOIWWTKY-AWEZNQCLSA-N -1 1 386.539 2.732 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)cc1Cl ZINC000918167147 664496066 /nfs/dbraw/zinc/49/60/66/664496066.db2.gz CMXIWJPHBNMBKU-UHFFFAOYSA-N -1 1 377.809 2.969 20 30 GFEDMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1F ZINC000176691619 552144286 /nfs/dbraw/zinc/14/42/86/552144286.db2.gz SUSJRHZNBCWFFV-UHFFFAOYSA-N -1 1 381.816 2.853 20 30 GFEDMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000180177006 552216035 /nfs/dbraw/zinc/21/60/35/552216035.db2.gz SPAMZJGIBJJPDD-UHFFFAOYSA-N -1 1 384.866 2.724 20 30 GFEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1Br ZINC000180658524 552232414 /nfs/dbraw/zinc/23/24/14/552232414.db2.gz ZXRPXWYWLZCUAS-UHFFFAOYSA-N -1 1 395.234 2.908 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)cn1 ZINC000182873835 552295183 /nfs/dbraw/zinc/29/51/83/552295183.db2.gz BHDWLOBNJLMEFB-ZDUSSCGKSA-N -1 1 377.294 2.813 20 30 GFEDMM Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000189862170 552481248 /nfs/dbraw/zinc/48/12/48/552481248.db2.gz RLJOXQVAYADPBU-UHFFFAOYSA-N -1 1 388.221 2.703 20 30 GFEDMM CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331607485 563555316 /nfs/dbraw/zinc/55/53/16/563555316.db2.gz VXZDWVPXKBDVHE-ZBFHGGJFSA-N -1 1 383.832 2.667 20 30 GFEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)ccc1C(N)=O ZINC000432762417 563592207 /nfs/dbraw/zinc/59/22/07/563592207.db2.gz GIVGWUVOXJEAEQ-UHFFFAOYSA-N -1 1 394.250 2.529 20 30 GFEDMM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443023918 563787903 /nfs/dbraw/zinc/78/79/03/563787903.db2.gz YUOVEXZFEFUSPW-UHFFFAOYSA-N -1 1 381.797 2.607 20 30 GFEDMM COCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)c1ccco1 ZINC000416461053 563832174 /nfs/dbraw/zinc/83/21/74/563832174.db2.gz XAXRKALOQVCWBJ-CYBMUJFWSA-N -1 1 399.266 2.970 20 30 GFEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(-c2ccc(F)cc2)no1 ZINC000367186704 563835554 /nfs/dbraw/zinc/83/55/54/563835554.db2.gz MUGNQBSGSCBIJP-VIFPVBQESA-N -1 1 378.410 2.848 20 30 GFEDMM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451228841 564289061 /nfs/dbraw/zinc/28/90/61/564289061.db2.gz PGICJLJLDPQGPR-CYBMUJFWSA-N -1 1 393.278 2.535 20 30 GFEDMM COc1cc(S(=O)(=O)Nc2ccccc2CC#N)c(Cl)cc1C(=O)[O-] ZINC000509379637 564295546 /nfs/dbraw/zinc/29/55/46/564295546.db2.gz REXRIZMVEGQVRY-UHFFFAOYSA-N -1 1 380.809 2.914 20 30 GFEDMM C=CCOC[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)OC ZINC000451488221 564318800 /nfs/dbraw/zinc/31/88/00/564318800.db2.gz CTOSAOVFNQEGME-NSHDSACASA-N -1 1 389.882 2.577 20 30 GFEDMM N#Cc1cncc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000566826602 564345144 /nfs/dbraw/zinc/34/51/44/564345144.db2.gz QWYOROIIBQFYBW-CYBMUJFWSA-N -1 1 377.294 2.813 20 30 GFEDMM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000479260807 564433928 /nfs/dbraw/zinc/43/39/28/564433928.db2.gz SLAWUBDMVVPMIR-UHFFFAOYSA-N -1 1 378.475 2.688 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1 ZINC000484499578 564589406 /nfs/dbraw/zinc/58/94/06/564589406.db2.gz GRQNSFLBFOTPNP-UHFFFAOYSA-N -1 1 397.206 2.525 20 30 GFEDMM CO[C@H](c1ccc(Br)cc1)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557841384 564880835 /nfs/dbraw/zinc/88/08/35/564880835.db2.gz SAIVBSAAEHMPSM-BONVTDFDSA-N -1 1 399.266 2.968 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ncc(C(F)(F)F)cc2Cl)o1 ZINC000561518749 564998617 /nfs/dbraw/zinc/99/86/17/564998617.db2.gz CAQULKLEIPMLJN-UHFFFAOYSA-N -1 1 395.746 2.576 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)N(CCO)Cc2cc(Br)ccc2F)c1 ZINC000589175788 565155216 /nfs/dbraw/zinc/15/52/16/565155216.db2.gz XKVVXLLOFXIOKJ-UHFFFAOYSA-N -1 1 393.212 2.800 20 30 GFEDMM C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2ccsc2C#N)CC1 ZINC000593567185 565342791 /nfs/dbraw/zinc/34/27/91/565342791.db2.gz OGYBTHJTGLRFEM-ZDUSSCGKSA-N -1 1 376.507 2.519 20 30 GFEDMM N#Cc1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1Cl ZINC000594488556 565396168 /nfs/dbraw/zinc/39/61/68/565396168.db2.gz SPYGIJMSEWLHLC-GWCFXTLKSA-N -1 1 382.791 2.990 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)s1 ZINC000599384955 565674704 /nfs/dbraw/zinc/67/47/04/565674704.db2.gz DUFUPQREFZHJTF-BXUZGUMPSA-N -1 1 388.392 2.833 20 30 GFEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000735940093 598824870 /nfs/dbraw/zinc/82/48/70/598824870.db2.gz VWWLVMZAQKOSIS-UHFFFAOYSA-N -1 1 376.764 2.986 20 30 GFEDMM N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000602093031 598184258 /nfs/dbraw/zinc/18/42/58/598184258.db2.gz DXCTWTQLHSNUED-UHFFFAOYSA-N -1 1 392.459 2.674 20 30 GFEDMM N#Cc1ccc(CN2CCCN(C(=O)NCc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000602093031 598184259 /nfs/dbraw/zinc/18/42/59/598184259.db2.gz DXCTWTQLHSNUED-UHFFFAOYSA-N -1 1 392.459 2.674 20 30 GFEDMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)c1ccc(C#N)cn1 ZINC000737279027 598443444 /nfs/dbraw/zinc/44/34/44/598443444.db2.gz GXJBTKBHMPBWHE-UHFFFAOYSA-N -1 1 398.386 2.881 20 30 GFEDMM N#Cc1ccccc1OCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Cl)ccc21 ZINC000737727370 598721195 /nfs/dbraw/zinc/72/11/95/598721195.db2.gz JQIQHVFIJGYZCY-UHFFFAOYSA-N -1 1 392.806 2.786 20 30 GFEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C ZINC000821127246 599303195 /nfs/dbraw/zinc/30/31/95/599303195.db2.gz DLYCXFPVNWEFAM-UHFFFAOYSA-N -1 1 397.464 2.670 20 30 GFEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000739105326 600564138 /nfs/dbraw/zinc/56/41/38/600564138.db2.gz KIMYGSFQIYYUQC-IBGZPJMESA-N -1 1 381.407 2.671 20 30 GFEDMM C=C(C)Cn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccncc1 ZINC000823877592 607538457 /nfs/dbraw/zinc/53/84/57/607538457.db2.gz AEMBBQZWLIISRZ-UHFFFAOYSA-N -1 1 391.464 2.784 20 30 GFEDMM C=C(C)Cn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccncc1 ZINC000823877592 607538460 /nfs/dbraw/zinc/53/84/60/607538460.db2.gz AEMBBQZWLIISRZ-UHFFFAOYSA-N -1 1 391.464 2.784 20 30 GFEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(CNC(=O)[O-])n1 ZINC000740302864 602728196 /nfs/dbraw/zinc/72/81/96/602728196.db2.gz FBBFSHCSMDHWIR-JTQLQIEISA-N -1 1 378.797 2.525 20 30 GFEDMM N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1csc(CNC(=O)[O-])n1 ZINC000740302864 602728197 /nfs/dbraw/zinc/72/81/97/602728197.db2.gz FBBFSHCSMDHWIR-JTQLQIEISA-N -1 1 378.797 2.525 20 30 GFEDMM COc1cccc(N=c2scc(C)n2N=Cc2ccc(-c3nnn[n-]3)o2)c1 ZINC000826216537 607634199 /nfs/dbraw/zinc/63/41/99/607634199.db2.gz CTFHOMNVKCDZHE-UHFFFAOYSA-N -1 1 381.421 2.754 20 30 GFEDMM COc1cccc(N=c2scc(C)n2N=Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000826216537 607634202 /nfs/dbraw/zinc/63/42/02/607634202.db2.gz CTFHOMNVKCDZHE-UHFFFAOYSA-N -1 1 381.421 2.754 20 30 GFEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000823646322 603982229 /nfs/dbraw/zinc/98/22/29/603982229.db2.gz ADCQMLRFDXFJKM-AWEZNQCLSA-N -1 1 390.509 2.951 20 30 GFEDMM CCc1[nH]c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000833667017 605305094 /nfs/dbraw/zinc/30/50/94/605305094.db2.gz CHLZFLCZXCVDPZ-UHFFFAOYSA-N -1 1 394.475 2.872 20 30 GFEDMM N#CCc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)cc1 ZINC000833968919 605479667 /nfs/dbraw/zinc/47/96/67/605479667.db2.gz YHKBGMWPPXGLCX-UHFFFAOYSA-N -1 1 376.376 2.558 20 30 GFEDMM N#CCc1ccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cc1 ZINC000833968919 605479671 /nfs/dbraw/zinc/47/96/71/605479671.db2.gz YHKBGMWPPXGLCX-UHFFFAOYSA-N -1 1 376.376 2.558 20 30 GFEDMM Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(C#N)s2)c1-c1nn[n-]n1 ZINC000822486505 606139396 /nfs/dbraw/zinc/13/93/96/606139396.db2.gz MHPDDVYJUFHWMH-UHFFFAOYSA-N -1 1 391.416 2.651 20 30 GFEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)nnn1-c1ccc(F)cc1 ZINC000822015501 606390774 /nfs/dbraw/zinc/39/07/74/606390774.db2.gz LCHIREMMXFNXRV-VURMDHGXSA-N -1 1 381.396 2.853 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc([C@H]3CCCO3)s2)o1 ZINC000824280759 607886400 /nfs/dbraw/zinc/88/64/00/607886400.db2.gz SUIAGWIVSGFBME-LLVKDONJSA-N -1 1 388.457 2.807 20 30 GFEDMM N#Cc1ccc(OC2CCC(Nc3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)nc1 ZINC000826386067 608558310 /nfs/dbraw/zinc/55/83/10/608558310.db2.gz NSKONCXEWGWOSK-UHFFFAOYSA-N -1 1 396.842 2.984 20 30 GFEDMM N#Cc1ccc(OC2CCC(Nc3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)nc1 ZINC000826386067 608558311 /nfs/dbraw/zinc/55/83/11/608558311.db2.gz NSKONCXEWGWOSK-UHFFFAOYSA-N -1 1 396.842 2.984 20 30 GFEDMM C=C(C)CC[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br ZINC000832129975 660756545 /nfs/dbraw/zinc/75/65/45/660756545.db2.gz GRUKXXZZMFTTPG-UHFFFAOYSA-N -1 1 380.235 2.619 20 30 GFEDMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000055578635 654777922 /nfs/dbraw/zinc/77/79/22/654777922.db2.gz MWHUJDWHXDAIAV-UHFFFAOYSA-N -1 1 384.866 2.724 20 30 GFEDMM C[C@@H](NC(=O)C(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000299475440 655376600 /nfs/dbraw/zinc/37/66/00/655376600.db2.gz YXNHBXDGRNBPKJ-MLUIRONXSA-N -1 1 378.219 2.751 20 30 GFEDMM [O-]c1c(O)cc(C=NN2C(=S)N=NC2[C@@H]2CCCCO2)cc1Br ZINC000757585256 655913384 /nfs/dbraw/zinc/91/33/84/655913384.db2.gz ZKMCSFZFXDARJS-NSHDSACASA-N -1 1 399.270 2.864 20 30 GFEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)nc1 ZINC000780887999 657035069 /nfs/dbraw/zinc/03/50/69/657035069.db2.gz PGJPPAWARBLZHK-UHFFFAOYSA-N -1 1 392.687 2.909 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnc3c(C)cc(Br)cn23)c(=O)o1 ZINC000783698268 657252429 /nfs/dbraw/zinc/25/24/29/657252429.db2.gz ZJDKCNQUSXUUNF-ABCZVMIZSA-N -1 1 389.205 2.633 20 30 GFEDMM N#Cc1ccc(CNC(=O)c2c([O-])cnc3c(Br)cccc32)nc1 ZINC000811317933 660006095 /nfs/dbraw/zinc/00/60/95/660006095.db2.gz DVMSNNIJSFSQDS-UHFFFAOYSA-N -1 1 383.205 2.900 20 30 GFEDMM Cc1cc(Br)cc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1O ZINC000814798851 660096190 /nfs/dbraw/zinc/09/61/90/660096190.db2.gz OJQJDKSBFZEOPN-UHFFFAOYSA-N -1 1 394.250 2.536 20 30 GFEDMM C#CC[C@@H](COC)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000859430522 662162327 /nfs/dbraw/zinc/16/23/27/662162327.db2.gz RZBHJKCQFRGDCK-QMMMGPOBSA-N -1 1 384.654 2.558 20 30 GFEDMM C=C(Cl)C[C@@H]([N-]S(=O)(=O)Cc1cccc2cccnc21)C(=O)OCC ZINC000867591869 662561567 /nfs/dbraw/zinc/56/15/67/662561567.db2.gz HTIGLWNSWBJNQZ-OAHLLOKOSA-N -1 1 382.869 2.729 20 30 GFEDMM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1 ZINC000916042454 664447760 /nfs/dbraw/zinc/44/77/60/664447760.db2.gz MGNOVGYSEQXKAR-CTRJTCCGSA-N -1 1 395.428 2.950 20 30 GFEDMM CC(C)CN(CCC#N)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000917363944 664481805 /nfs/dbraw/zinc/48/18/05/664481805.db2.gz IUYVOQCRZASUIN-UHFFFAOYSA-N -1 1 392.308 2.670 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1 ZINC000153967933 551464184 /nfs/dbraw/zinc/46/41/84/551464184.db2.gz XZPYGYYKWUYMAN-UHFFFAOYSA-N -1 1 377.223 2.998 20 30 GFEDMM Cc1oc(C(=O)[N-]c2sc3c(c2C#N)CCC3)cc1S(=O)(=O)N(C)C ZINC000176673504 552143608 /nfs/dbraw/zinc/14/36/08/552143608.db2.gz KGJVSTQIRMQEHY-UHFFFAOYSA-N -1 1 379.463 2.513 20 30 GFEDMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)c2=O ZINC000181982689 552272106 /nfs/dbraw/zinc/27/21/06/552272106.db2.gz XQMBFEIWSRSHQP-ZDUSSCGKSA-N -1 1 376.203 2.975 20 30 GFEDMM N#Cc1ccc(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)cc1[O-] ZINC000187987012 552430166 /nfs/dbraw/zinc/43/01/66/552430166.db2.gz QTFQLQJECUKWTI-UHFFFAOYSA-N -1 1 398.220 2.741 20 30 GFEDMM CCCc1ncc(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)o1 ZINC000416499548 563839020 /nfs/dbraw/zinc/83/90/20/563839020.db2.gz ZCFNKQDRRFHRCL-UHFFFAOYSA-N -1 1 384.255 2.740 20 30 GFEDMM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000295686924 563257835 /nfs/dbraw/zinc/25/78/35/563257835.db2.gz IQYJZBMWKVIHAK-ONGXEEELSA-N -1 1 388.243 2.718 20 30 GFEDMM CC(C)(C)S(=O)(=O)N1CCC(NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000330896386 563526087 /nfs/dbraw/zinc/52/60/87/563526087.db2.gz SQDWKXBJLBZHRM-UHFFFAOYSA-N -1 1 376.425 2.568 20 30 GFEDMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432948965 563597950 /nfs/dbraw/zinc/59/79/50/563597950.db2.gz KBXOJYKKASEEPJ-UHFFFAOYSA-N -1 1 395.282 2.578 20 30 GFEDMM C[C@H](NC(=O)C(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(F)(F)F ZINC000411531919 563622261 /nfs/dbraw/zinc/62/22/61/563622261.db2.gz YPAXBEJWHQCCNZ-SSDLBLMSSA-N -1 1 378.219 2.751 20 30 GFEDMM N#CCN1CCC(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000435419914 563649404 /nfs/dbraw/zinc/64/94/04/563649404.db2.gz AKDCRCAZJPHLMX-UHFFFAOYSA-N -1 1 380.272 2.646 20 30 GFEDMM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000289064116 563666465 /nfs/dbraw/zinc/66/64/65/563666465.db2.gz GLDPGSMZJMJOBW-VIFPVBQESA-N -1 1 393.278 2.535 20 30 GFEDMM CC(C)OCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)no1 ZINC000289631096 563681477 /nfs/dbraw/zinc/68/14/77/563681477.db2.gz UGIPZICKHGOHFJ-SNVBAGLBSA-N -1 1 384.845 2.559 20 30 GFEDMM CC[C@H]([N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H](O)C(C)C ZINC000416613141 563853827 /nfs/dbraw/zinc/85/38/27/563853827.db2.gz DHFMSVKYPQZYNH-JSGCOSHPSA-N -1 1 393.278 2.534 20 30 GFEDMM C=CCSCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000508725879 564271418 /nfs/dbraw/zinc/27/14/18/564271418.db2.gz OYXOYWWPTGEEBH-UHFFFAOYSA-N -1 1 384.306 2.978 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCSC2)cc1Br ZINC000451277403 564295076 /nfs/dbraw/zinc/29/50/76/564295076.db2.gz RSOVQJCRONIEAX-SECBINFHSA-N -1 1 379.276 2.634 20 30 GFEDMM CC[C@@]([N-]S(=O)(=O)CC1(CC#N)CC1)(C(=O)OC)c1ccc(Cl)cc1 ZINC000451533320 564323693 /nfs/dbraw/zinc/32/36/93/564323693.db2.gz VZPHYHWMUWEHDA-KRWDZBQOSA-N -1 1 384.885 2.732 20 30 GFEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CCOc2ccccc2)cc1Br ZINC000567024599 564353653 /nfs/dbraw/zinc/35/36/53/564353653.db2.gz SSPHUWSVJKMADR-UHFFFAOYSA-N -1 1 399.241 2.817 20 30 GFEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000462069456 564815380 /nfs/dbraw/zinc/81/53/80/564815380.db2.gz HFCZGWWMEXBWTC-LBPRGKRZSA-N -1 1 377.388 2.586 20 30 GFEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCc2ccc(Br)cc2F)o1 ZINC000557821559 564878980 /nfs/dbraw/zinc/87/89/80/564878980.db2.gz VFDPCGFSAOGQCG-UHFFFAOYSA-N -1 1 387.230 2.964 20 30 GFEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000614298191 565105672 /nfs/dbraw/zinc/10/56/72/565105672.db2.gz OWKAWLVNMCYZKA-CYBMUJFWSA-N -1 1 381.215 2.740 20 30 GFEDMM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC000594464799 565390195 /nfs/dbraw/zinc/39/01/95/565390195.db2.gz ZFFHFYZUWMMMBV-BMIGLBTASA-N -1 1 391.848 2.525 20 30 GFEDMM C=CC[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000628483210 565791545 /nfs/dbraw/zinc/79/15/45/565791545.db2.gz IXSWBZNRODXRDW-NSHDSACASA-N -1 1 377.293 2.696 20 30 GFEDMM N#CCN1CCC([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000610084808 566065887 /nfs/dbraw/zinc/06/58/87/566065887.db2.gz NIUUSUSGOLUQHR-UHFFFAOYSA-N -1 1 381.807 2.625 20 30 GFEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2nccn2Cc2ccccc2)o1 ZINC000735850265 598924327 /nfs/dbraw/zinc/92/43/27/598924327.db2.gz ACMWBQSCJIVCGS-UHFFFAOYSA-N -1 1 391.439 2.744 20 30 GFEDMM CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736330820 599151397 /nfs/dbraw/zinc/15/13/97/599151397.db2.gz ZMZFDYFCUFZOGV-LRDDRELGSA-N -1 1 389.419 2.736 20 30 GFEDMM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000819835809 597645696 /nfs/dbraw/zinc/64/56/96/597645696.db2.gz YGKCSYFBSZLREX-LJQANCHMSA-N -1 1 377.872 2.673 20 30 GFEDMM CCCNc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000821127081 599303200 /nfs/dbraw/zinc/30/32/00/599303200.db2.gz AUGVGJKMKLRISR-UHFFFAOYSA-N -1 1 397.464 2.670 20 30 GFEDMM N#Cc1ccc(CN2CCCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000739118811 600061018 /nfs/dbraw/zinc/06/10/18/600061018.db2.gz VMMJFCVSOXKDQW-UHFFFAOYSA-N -1 1 391.471 2.924 20 30 GFEDMM N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cn2)cc1 ZINC000604571335 600675817 /nfs/dbraw/zinc/67/58/17/600675817.db2.gz RSFNYRDWKYCSPF-UHFFFAOYSA-N -1 1 384.373 2.573 20 30 GFEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1C#N ZINC000832849317 601524671 /nfs/dbraw/zinc/52/46/71/601524671.db2.gz CNWVVPYJZLGHRJ-UGSOOPFHSA-N -1 1 380.448 2.557 20 30 GFEDMM C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCCN(C(=O)[O-])CC3)sc2C1 ZINC000739112396 602822074 /nfs/dbraw/zinc/82/20/74/602822074.db2.gz DPUUIHGTULXTSG-CYBMUJFWSA-N -1 1 390.509 2.759 20 30 GFEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000823646323 603982361 /nfs/dbraw/zinc/98/23/61/603982361.db2.gz ADCQMLRFDXFJKM-CQSZACIVSA-N -1 1 390.509 2.951 20 30 GFEDMM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256719 604209155 /nfs/dbraw/zinc/20/91/55/604209155.db2.gz ZXENQUKHULSALB-ARFHVFGLSA-N -1 1 390.459 2.829 20 30 GFEDMM CN1CC(=Cc2ccc(C#N)s2)C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC000821620790 606386812 /nfs/dbraw/zinc/38/68/12/606386812.db2.gz VYLYVCIECOQKRI-GNXRPPCSSA-N -1 1 394.485 2.843 20 30 GFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccccc1Br ZINC000822801672 606562600 /nfs/dbraw/zinc/56/26/00/606562600.db2.gz LVXMYIFIHLVXHZ-SNVBAGLBSA-N -1 1 389.238 2.685 20 30 GFEDMM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccccc1Br ZINC000822801672 606562602 /nfs/dbraw/zinc/56/26/02/606562602.db2.gz LVXMYIFIHLVXHZ-SNVBAGLBSA-N -1 1 389.238 2.685 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(N3CCCC3)nc2)o1 ZINC000819965845 606916456 /nfs/dbraw/zinc/91/64/56/606916456.db2.gz PFADMORASXKGEA-UHFFFAOYSA-N -1 1 381.444 2.593 20 30 GFEDMM Cc1ccc(C=Nn2c(C)cc(C)c(-c3nn[n-]n3)c2=O)c(Br)c1 ZINC000826286694 607807941 /nfs/dbraw/zinc/80/79/41/607807941.db2.gz MOPXVJFTTFDWJF-UHFFFAOYSA-N -1 1 387.241 2.598 20 30 GFEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCCCc2ccc3c(c2)OCCO3)o1 ZINC000824142028 608387815 /nfs/dbraw/zinc/38/78/15/608387815.db2.gz RFJIPJPDYNRRCU-UHFFFAOYSA-N -1 1 397.439 2.954 20 30 GFEDMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)co1 ZINC000270024117 655031742 /nfs/dbraw/zinc/03/17/42/655031742.db2.gz FJIKWLUZXSHMPP-NSHDSACASA-N -1 1 379.463 2.834 20 30 GFEDMM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(Br)ccc1[O-] ZINC000121541918 655349965 /nfs/dbraw/zinc/34/99/65/655349965.db2.gz NWKFKLWJSQXYSF-UHFFFAOYSA-N -1 1 392.257 2.848 20 30 GFEDMM CC1CCN(S(=O)(=O)[N-]c2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000575898855 655439582 /nfs/dbraw/zinc/43/95/82/655439582.db2.gz HOKDNPZLCBVHAT-UHFFFAOYSA-N -1 1 379.873 2.786 20 30 GFEDMM O=C([N-][C@@H]1CCC[C@H](CNC(=O)C(F)(F)C(F)F)C1)C(F)(F)C(F)F ZINC000749388516 655804008 /nfs/dbraw/zinc/80/40/08/655804008.db2.gz YBVYXNYBTXVGGE-NKWVEPMBSA-N -1 1 384.267 2.578 20 30 GFEDMM [O-]c1c(O)cc(C=NN2C(=S)N=NC2[C@H]2CCCCO2)cc1Br ZINC000757585253 655913392 /nfs/dbraw/zinc/91/33/92/655913392.db2.gz ZKMCSFZFXDARJS-LLVKDONJSA-N -1 1 399.270 2.864 20 30 GFEDMM Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=Nn1c(=O)cn[n-]c1=S ZINC000766485124 656172945 /nfs/dbraw/zinc/17/29/45/656172945.db2.gz SUDNTABEXOXGEN-UHFFFAOYSA-N -1 1 395.275 2.669 20 30 GFEDMM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000767734870 656217653 /nfs/dbraw/zinc/21/76/53/656217653.db2.gz PCLCNIYBSXMAAU-UHFFFAOYSA-N -1 1 386.216 2.847 20 30 GFEDMM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br ZINC000770249454 656311969 /nfs/dbraw/zinc/31/19/69/656311969.db2.gz YSBHOVCMZIJRPI-MRVPVSSYSA-N -1 1 380.235 2.618 20 30 GFEDMM CC(C)Cc1ncc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000772841831 656391453 /nfs/dbraw/zinc/39/14/53/656391453.db2.gz WJKPBMDMPMNEEB-UHFFFAOYSA-N -1 1 382.467 2.703 20 30 GFEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)[C@@H]1CCCO1 ZINC000773051829 656397653 /nfs/dbraw/zinc/39/76/53/656397653.db2.gz BSBSADXKHOROMD-NEPJUHHUSA-N -1 1 396.665 2.701 20 30 GFEDMM C#CCOCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000780836753 657032388 /nfs/dbraw/zinc/03/23/88/657032388.db2.gz GUFRPVCNJRRVIA-UHFFFAOYSA-N -1 1 387.082 2.684 20 30 GFEDMM Cc1cc([O-])c(C(=O)C=Cc2cnc3c(C)cc(Br)cn23)c(=O)o1 ZINC000783698281 657252552 /nfs/dbraw/zinc/25/25/52/657252552.db2.gz ZJDKCNQUSXUUNF-JZIMQPMSSA-N -1 1 389.205 2.633 20 30 GFEDMM CNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000795361009 658811248 /nfs/dbraw/zinc/81/12/48/658811248.db2.gz FXZQQOZEZKQDCZ-UHFFFAOYSA-N -1 1 383.788 2.891 20 30 GFEDMM CO[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000805003102 659711033 /nfs/dbraw/zinc/71/10/33/659711033.db2.gz JOVOABSSUQVXDH-QMMMGPOBSA-N -1 1 385.257 2.580 20 30 GFEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)OC3)c1 ZINC000808125569 659879259 /nfs/dbraw/zinc/87/92/59/659879259.db2.gz FHDYITBEEWHVPO-UHFFFAOYSA-N -1 1 393.218 2.792 20 30 GFEDMM O=S(=O)(c1ccc(N=NCc2cccc([O-])c2Cl)nc1)N1CCCC1 ZINC000814800418 660096399 /nfs/dbraw/zinc/09/63/99/660096399.db2.gz WYLZZHAFBYRAOT-UHFFFAOYSA-N -1 1 380.857 2.671 20 30 GFEDMM N#CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Br)c1)C(F)(F)F ZINC000901771445 663745465 /nfs/dbraw/zinc/74/54/65/663745465.db2.gz FABXNHCBJSRHPK-SECBINFHSA-N -1 1 375.141 2.711 20 30 GFEDMM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C#N)c1F ZINC000917249971 664479295 /nfs/dbraw/zinc/47/92/95/664479295.db2.gz GSCBCZDESAIKIJ-ONGXEEELSA-N -1 1 391.262 2.957 20 30 GFEDMM O=S(=O)(c1ccc(N=NCc2ccc([O-])c(Cl)c2)nc1)N1CCCC1 ZINC000921257450 664539737 /nfs/dbraw/zinc/53/97/37/664539737.db2.gz AXIGKJTXRSPVDG-UHFFFAOYSA-N -1 1 380.857 2.671 20 30 GFEDMM