smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nc(C(=O)[O-])cc1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001594571936 955894804 /nfs/dbraw/zinc/89/48/04/955894804.db2.gz OBKVMHLJNDXSHL-UHFFFAOYSA-N 0 2 378.407 3.331 20 30 GGEDLN Cn1nc(C(=O)[O-])cc1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001594571936 955894819 /nfs/dbraw/zinc/89/48/19/955894819.db2.gz OBKVMHLJNDXSHL-UHFFFAOYSA-N 0 2 378.407 3.331 20 30 GGEDLN N#Cc1ccc([C@H]2C[N@H+](Cc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)CCO2)cc1 ZINC001594618177 956261532 /nfs/dbraw/zinc/26/15/32/956261532.db2.gz HNICGGKJWQRCGD-AZUAARDMSA-N 0 2 395.459 3.026 20 30 GGEDLN N#Cc1ccc([C@H]2C[N@@H+](Cc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)CCO2)cc1 ZINC001594618177 956261551 /nfs/dbraw/zinc/26/15/51/956261551.db2.gz HNICGGKJWQRCGD-AZUAARDMSA-N 0 2 395.459 3.026 20 30 GGEDLN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]([C@H](C)C(=O)[O-])C2CC2)c1C#N ZINC001594252652 959624219 /nfs/dbraw/zinc/62/42/19/959624219.db2.gz DZTXOTFCASGTQC-OAHLLOKOSA-N 0 2 386.496 3.358 20 30 GGEDLN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]([C@H](C)C(=O)[O-])C2CC2)c1C#N ZINC001594252652 959624225 /nfs/dbraw/zinc/62/42/25/959624225.db2.gz DZTXOTFCASGTQC-OAHLLOKOSA-N 0 2 386.496 3.358 20 30 GGEDLN CC(=[NH+]Nc1ccc(C(=O)[O-])cc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000835011585 979245472 /nfs/dbraw/zinc/24/54/72/979245472.db2.gz HNYZVLVWMYYIER-UHFFFAOYSA-N 0 2 375.375 3.336 20 30 GGEDLN C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001592929998 979964145 /nfs/dbraw/zinc/96/41/45/979964145.db2.gz GVLBLRTYPLCZFG-INIZCTEOSA-N 0 2 388.427 3.191 20 30 GGEDLN C=CCOc1ccc(-c2nn(C[N@H+]3CC[C@@H](C(=O)[O-])[C@H]3C)c(=S)o2)cc1 ZINC001588869686 984440250 /nfs/dbraw/zinc/44/02/50/984440250.db2.gz VDVJGRFHSNAMNL-IUODEOHRSA-N 0 2 375.450 3.190 20 30 GGEDLN C=CCOc1ccc(-c2nn(C[N@@H+]3CC[C@@H](C(=O)[O-])[C@H]3C)c(=S)o2)cc1 ZINC001588869686 984440253 /nfs/dbraw/zinc/44/02/53/984440253.db2.gz VDVJGRFHSNAMNL-IUODEOHRSA-N 0 2 375.450 3.190 20 30 GGEDLN C=CCOc1ccc(-c2nn(C[N@H+]3CC[C@H](C(=O)[O-])[C@@H]3C)c(=S)o2)cc1 ZINC001588869688 984440420 /nfs/dbraw/zinc/44/04/20/984440420.db2.gz VDVJGRFHSNAMNL-WFASDCNBSA-N 0 2 375.450 3.190 20 30 GGEDLN C=CCOc1ccc(-c2nn(C[N@@H+]3CC[C@H](C(=O)[O-])[C@@H]3C)c(=S)o2)cc1 ZINC001588869688 984440421 /nfs/dbraw/zinc/44/04/21/984440421.db2.gz VDVJGRFHSNAMNL-WFASDCNBSA-N 0 2 375.450 3.190 20 30 GGEDLN C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001588879495 984457801 /nfs/dbraw/zinc/45/78/01/984457801.db2.gz AKXBVTXIXPPFMO-NSHDSACASA-N 0 2 377.491 3.409 20 30 GGEDLN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])c1C#N ZINC001599974044 986059243 /nfs/dbraw/zinc/05/92/43/986059243.db2.gz IXEWXTOOLNIITG-SFHVURJKSA-N 0 2 388.512 3.461 20 30 GGEDLN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])c1C#N ZINC001599974044 986059255 /nfs/dbraw/zinc/05/92/55/986059255.db2.gz IXEWXTOOLNIITG-SFHVURJKSA-N 0 2 388.512 3.461 20 30 GGEDLN C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccccc1 ZINC001589331803 986192040 /nfs/dbraw/zinc/19/20/40/986192040.db2.gz PMJCOTCQOAKVDB-VFNWGFHPSA-N 0 2 397.500 3.466 20 30 GGEDLN C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589331802 986192439 /nfs/dbraw/zinc/19/24/39/986192439.db2.gz PMJCOTCQOAKVDB-QVKFZJNVSA-N 0 2 397.500 3.466 20 30 GGEDLN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC001589331906 986193672 /nfs/dbraw/zinc/19/36/72/986193672.db2.gz SRKKMAIBAAPVFK-GOEBONIOSA-N 0 2 375.494 3.206 20 30 GGEDLN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC001589331906 986193677 /nfs/dbraw/zinc/19/36/77/986193677.db2.gz SRKKMAIBAAPVFK-GOEBONIOSA-N 0 2 375.494 3.206 20 30 GGEDLN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001589431646 986730732 /nfs/dbraw/zinc/73/07/32/986730732.db2.gz IUUMBIKTUSFVSU-GFCCVEGCSA-N 0 2 383.835 3.295 20 30 GGEDLN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001589431646 986730743 /nfs/dbraw/zinc/73/07/43/986730743.db2.gz IUUMBIKTUSFVSU-GFCCVEGCSA-N 0 2 383.835 3.295 20 30 GGEDLN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589448451 986823656 /nfs/dbraw/zinc/82/36/56/986823656.db2.gz KSIDXRHUHQXABC-SJCJKPOMSA-N 0 2 395.484 3.119 20 30 GGEDLN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589448451 986823667 /nfs/dbraw/zinc/82/36/67/986823667.db2.gz KSIDXRHUHQXABC-SJCJKPOMSA-N 0 2 395.484 3.119 20 30 GGEDLN C[C@@H](C(=O)[O-])[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC001589486987 987040444 /nfs/dbraw/zinc/04/04/44/987040444.db2.gz WVHOMWIBRMHTAG-LBPRGKRZSA-N 0 2 375.494 3.155 20 30 GGEDLN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC001589486987 987040455 /nfs/dbraw/zinc/04/04/55/987040455.db2.gz WVHOMWIBRMHTAG-LBPRGKRZSA-N 0 2 375.494 3.155 20 30 GGEDLN COc1cccc(C2([NH2+]Cc3cccc(C(=O)[O-])c3C#N)CCOCC2)c1F ZINC001599665673 994726358 /nfs/dbraw/zinc/72/63/58/994726358.db2.gz NWIHZYWMCFSRST-UHFFFAOYSA-N 0 2 384.407 3.200 20 30 GGEDLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001598712440 995364111 /nfs/dbraw/zinc/36/41/11/995364111.db2.gz LRDZBNVYVLXTNZ-HXUWFJFHSA-N 0 2 378.428 3.350 20 30 GGEDLN C[C@H](Oc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1)C(=O)[O-] ZINC001593615787 995839403 /nfs/dbraw/zinc/83/94/03/995839403.db2.gz QHQGQRJZFHSADV-HNNXBMFYSA-N 0 2 399.878 3.386 20 30 GGEDLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1cccc(C#N)c1F)CC2 ZINC001599465495 998353015 /nfs/dbraw/zinc/35/30/15/998353015.db2.gz JWJHSODNAWVWDQ-QGZVFWFLSA-N 0 2 384.407 3.289 20 30 GGEDLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cccc(C#N)c1F)CC2 ZINC001599465495 998353029 /nfs/dbraw/zinc/35/30/29/998353029.db2.gz JWJHSODNAWVWDQ-QGZVFWFLSA-N 0 2 384.407 3.289 20 30 GGEDLN COc1cc2ccccc2cc1-c1nnc(C[NH+]2CCC(C#N)(C(=O)[O-])CC2)o1 ZINC001599466496 998371016 /nfs/dbraw/zinc/37/10/16/998371016.db2.gz HEFWEPVFELZVOZ-UHFFFAOYSA-N 0 2 392.415 3.089 20 30 GGEDLN COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2cccc(C(=O)[O-])c2C#N)n1C ZINC001598972889 998550359 /nfs/dbraw/zinc/55/03/59/998550359.db2.gz FRSCTATUHDBELK-SFHVURJKSA-N 0 2 381.432 3.109 20 30 GGEDLN COC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2cccc(C(=O)[O-])c2C#N)n1C ZINC001598972889 998550371 /nfs/dbraw/zinc/55/03/71/998550371.db2.gz FRSCTATUHDBELK-SFHVURJKSA-N 0 2 381.432 3.109 20 30 GGEDLN CC(C)C/N=C1\NC(=O)C(CC(=O)Nc2ccccc2Br)S1 ZINC000007883479 204254369 /nfs/dbraw/zinc/25/43/69/204254369.db2.gz ZHPSHXRGPFBDHI-LBPRGKRZSA-N 0 2 384.299 3.021 20 30 GGEDLN CC(C)C/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2Br)S1 ZINC000007883479 204254374 /nfs/dbraw/zinc/25/43/74/204254374.db2.gz ZHPSHXRGPFBDHI-LBPRGKRZSA-N 0 2 384.299 3.021 20 30 GGEDLN O=C(CC1S/C(=N\CCc2ccccc2)NC1=O)Nc1ccccc1Cl ZINC000003539575 527144323 /nfs/dbraw/zinc/14/43/23/527144323.db2.gz YLCOWAOMIZTYSO-INIZCTEOSA-N 0 2 387.892 3.499 20 30 GGEDLN O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1ccccc1Cl ZINC000003539575 527144334 /nfs/dbraw/zinc/14/43/34/527144334.db2.gz YLCOWAOMIZTYSO-INIZCTEOSA-N 0 2 387.892 3.499 20 30 GGEDLN O=C(CC1S/C(=N\Cc2ccccc2)NC1=O)Nc1ccc(F)cc1F ZINC000002630883 527144642 /nfs/dbraw/zinc/14/46/42/527144642.db2.gz YJENIHZMGNFWDH-HNNXBMFYSA-N 0 2 375.400 3.081 20 30 GGEDLN O=C(C[C@@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1ccc(F)cc1F ZINC000002630883 527144650 /nfs/dbraw/zinc/14/46/50/527144650.db2.gz YJENIHZMGNFWDH-HNNXBMFYSA-N 0 2 375.400 3.081 20 30 GGEDLN CC(C)(C)/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2Br)S1 ZINC000022452027 564317377 /nfs/dbraw/zinc/31/73/77/564317377.db2.gz OQQJGOWSHYYVEN-NSHDSACASA-N 0 2 384.299 3.164 20 30 GGEDLN N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N2CCCCC2)cn1 ZINC000116601738 564213351 /nfs/dbraw/zinc/21/33/51/564213351.db2.gz MLEVPEFHNRCVJR-UHFFFAOYSA-N 0 2 376.869 3.398 20 30 GGEDLN CC[C@@H](C)/N=C1\NC(=O)C(CC(=O)Nc2cc(C)c(Cl)cc2OC)S1 ZINC000007850443 564242059 /nfs/dbraw/zinc/24/20/59/564242059.db2.gz DIEMZDUOWHOGJQ-YGRLFVJLSA-N 0 2 383.901 3.372 20 30 GGEDLN CC[C@@H](C)/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)S1 ZINC000007850443 564242065 /nfs/dbraw/zinc/24/20/65/564242065.db2.gz DIEMZDUOWHOGJQ-YGRLFVJLSA-N 0 2 383.901 3.372 20 30 GGEDLN N#C[C@H](C(=O)c1sccc1-n1cnnn1)c1nc2cc(Cl)ccc2s1 ZINC000120055939 564302230 /nfs/dbraw/zinc/30/22/30/564302230.db2.gz CYRZSFYNSWEJOO-SECBINFHSA-N 0 2 386.849 3.477 20 30 GGEDLN N#CC(C(=O)c1sccc1-n1cnnn1)c1nc2cc(Cl)ccc2s1 ZINC000120055939 564302231 /nfs/dbraw/zinc/30/22/31/564302231.db2.gz CYRZSFYNSWEJOO-SECBINFHSA-N 0 2 386.849 3.477 20 30 GGEDLN N#Cc1nc(NC(=O)CCSc2ccc(Br)cc2)[nH]c1C#N ZINC000120354249 564317001 /nfs/dbraw/zinc/31/70/01/564317001.db2.gz UCENADFVBDRNPR-UHFFFAOYSA-N 0 2 376.239 3.036 20 30 GGEDLN CC(C)(C)/N=C1\NC(=O)C(CC(=O)Nc2ccccc2Br)S1 ZINC000022452027 564317371 /nfs/dbraw/zinc/31/73/71/564317371.db2.gz OQQJGOWSHYYVEN-NSHDSACASA-N 0 2 384.299 3.164 20 30 GGEDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)ccc1Br ZINC000120544062 564325254 /nfs/dbraw/zinc/32/52/54/564325254.db2.gz CYADESZKWKBEOQ-UHFFFAOYSA-N 0 2 396.222 3.338 20 30 GGEDLN Cc1c(Br)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000121256328 564361795 /nfs/dbraw/zinc/36/17/95/564361795.db2.gz GVCDWAVJDISHAG-UHFFFAOYSA-N 0 2 396.222 3.338 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)cc1Cl ZINC000123870978 564464369 /nfs/dbraw/zinc/46/43/69/564464369.db2.gz KTYXCUNQBFUHOW-UHFFFAOYSA-N 0 2 376.800 3.337 20 30 GGEDLN C=C(C)CN(CC)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000123990984 564468844 /nfs/dbraw/zinc/46/88/44/564468844.db2.gz UASOIMPFZSQKJD-UHFFFAOYSA-N 0 2 380.491 3.293 20 30 GGEDLN COc1ccc(S(=O)(=O)Nc2ccc(F)cc2C#N)cc1Br ZINC000124599128 564487425 /nfs/dbraw/zinc/48/74/25/564487425.db2.gz MKBLDRPDEGBQEW-UHFFFAOYSA-N 0 2 385.214 3.269 20 30 GGEDLN N#Cc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)nc1 ZINC000126219177 564540595 /nfs/dbraw/zinc/54/05/95/564540595.db2.gz HBMSQCPCKDYIAU-UHFFFAOYSA-N 0 2 390.621 3.309 20 30 GGEDLN N#Cc1ccccc1S(=O)(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000129686708 564657444 /nfs/dbraw/zinc/65/74/44/564657444.db2.gz WXIINONSRZKUGK-UHFFFAOYSA-N 0 2 394.243 3.247 20 30 GGEDLN Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130311897 564677245 /nfs/dbraw/zinc/67/72/45/564677245.db2.gz VVVASLHUIHHGQL-UHFFFAOYSA-N 0 2 396.222 3.338 20 30 GGEDLN CSc1[nH]c(=O)c(C(=O)NCc2sccc2Br)cc1C#N ZINC000060473426 564699537 /nfs/dbraw/zinc/69/95/37/564699537.db2.gz XUMXQERCVWJWCT-UHFFFAOYSA-N 0 2 384.280 3.135 20 30 GGEDLN CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1ccccc1C#N ZINC000062930409 564713293 /nfs/dbraw/zinc/71/32/93/564713293.db2.gz CDDSZSIKPJOTKY-UHFFFAOYSA-N 0 2 380.853 3.428 20 30 GGEDLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC2(C#N)CCCCC2)c(F)c1Cl ZINC000132384067 564741912 /nfs/dbraw/zinc/74/19/12/564741912.db2.gz KXLFKSZBYGYSJE-UHFFFAOYSA-N 0 2 391.827 3.081 20 30 GGEDLN Cc1cc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n(CCC#N)n1 ZINC000066248066 564758960 /nfs/dbraw/zinc/75/89/60/564758960.db2.gz REQZKMGUCSWAMG-UHFFFAOYSA-N 0 2 390.799 3.161 20 30 GGEDLN Cc1nc(NS(=O)(=O)c2ccccc2OC(F)F)sc1SCC#N ZINC000066253730 564760152 /nfs/dbraw/zinc/76/01/52/564760152.db2.gz ATKFEESQWWMLGM-UHFFFAOYSA-N 0 2 391.446 3.469 20 30 GGEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000067895670 564801332 /nfs/dbraw/zinc/80/13/32/564801332.db2.gz YYALCUZZJUNHSF-SNVBAGLBSA-N 0 2 379.781 3.371 20 30 GGEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000067895670 564801336 /nfs/dbraw/zinc/80/13/36/564801336.db2.gz YYALCUZZJUNHSF-SNVBAGLBSA-N 0 2 379.781 3.371 20 30 GGEDLN CC(C)Oc1ccc(Br)cc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000135382883 564829871 /nfs/dbraw/zinc/82/98/71/564829871.db2.gz NXYOFSNSRQOTPB-UHFFFAOYSA-N 0 2 396.266 3.304 20 30 GGEDLN COc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)sc1Br ZINC000137089011 564858449 /nfs/dbraw/zinc/85/84/49/564858449.db2.gz AMRWGHVSOWRJHG-VIFPVBQESA-N 0 2 395.282 3.327 20 30 GGEDLN COc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)sc1Br ZINC000137089011 564858451 /nfs/dbraw/zinc/85/84/51/564858451.db2.gz AMRWGHVSOWRJHG-VIFPVBQESA-N 0 2 395.282 3.327 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N/[C@@H](C)c2cccs2)N(Cc2ccco2)C1=O ZINC000102199846 564926553 /nfs/dbraw/zinc/92/65/53/564926553.db2.gz GIRGFAJLDQTDBM-CRVFQNIYSA-N 0 2 377.491 3.038 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2ccco2)C1=O ZINC000102199843 564926828 /nfs/dbraw/zinc/92/68/28/564926828.db2.gz GIRGFAJLDQTDBM-HZFOHNAASA-N 0 2 377.491 3.038 20 30 GGEDLN N#Cc1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000102749010 564933921 /nfs/dbraw/zinc/93/39/21/564933921.db2.gz FZUYDFJPRYJYLZ-UHFFFAOYSA-N 0 2 378.278 3.378 20 30 GGEDLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(C#N)c2)cc1Cl ZINC000105388617 564965920 /nfs/dbraw/zinc/96/59/20/564965920.db2.gz ILVJALSDRSOJCV-UHFFFAOYSA-N 0 2 385.779 3.249 20 30 GGEDLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(C#N)ccc2C)cc1Cl ZINC000105387906 564966149 /nfs/dbraw/zinc/96/61/49/564966149.db2.gz QJYVNUPUZMESGU-UHFFFAOYSA-N 0 2 381.816 3.418 20 30 GGEDLN Cn1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)cn1 ZINC000108252259 565008715 /nfs/dbraw/zinc/00/87/15/565008715.db2.gz CIESSICQACJRHE-UHFFFAOYSA-N 0 2 390.412 3.245 20 30 GGEDLN COC(=O)c1sccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000154300421 565033240 /nfs/dbraw/zinc/03/32/40/565033240.db2.gz RYYIBXOCMYRKFL-UHFFFAOYSA-N 0 2 390.364 3.226 20 30 GGEDLN O=C(C[C@H]1S/C(=N\c2ccccc2Cl)N(CC(F)F)C1=O)NC1CC1 ZINC000267581911 565122939 /nfs/dbraw/zinc/12/29/39/565122939.db2.gz BPOILGCABLYCTB-IGUAEOCPSA-N 0 2 387.839 3.205 20 30 GGEDLN O=C(CC1S/C(=N\c2ccccc2Cl)N(CC(F)F)C1=O)NC1CC1 ZINC000267581911 565122943 /nfs/dbraw/zinc/12/29/43/565122943.db2.gz BPOILGCABLYCTB-IGUAEOCPSA-N 0 2 387.839 3.205 20 30 GGEDLN O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1cnn(CC(F)(F)F)c1 ZINC000186973283 565299201 /nfs/dbraw/zinc/29/92/01/565299201.db2.gz CYVIEOPEZKLJAF-UHFFFAOYSA-N 0 2 391.268 3.404 20 30 GGEDLN C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)cn1 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GGEDLN CNC(=O)C[C@@H]1S/C(=N/c2ccc(Cl)cc2)N(CCCCC#N)C1=O ZINC000171417049 565430799 /nfs/dbraw/zinc/43/07/99/565430799.db2.gz UZSXAAUCBMQDBM-HGNXGAGXSA-N 0 2 378.885 3.101 20 30 GGEDLN COC(=O)c1csc(S(=O)(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000299542026 565454458 /nfs/dbraw/zinc/45/44/58/565454458.db2.gz WUKAPJGIAPOTTC-UHFFFAOYSA-N 0 2 380.447 3.018 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N\c2cccc(Cl)c2)N(C2CC(F)(F)C2)C1=O ZINC000277183662 565481788 /nfs/dbraw/zinc/48/17/88/565481788.db2.gz HDBHROVXMAMKBV-OBZJLHOISA-N 0 2 387.839 3.205 20 30 GGEDLN CNC(=O)CC1S/C(=N\c2cccc(Cl)c2)N(C2CC(F)(F)C2)C1=O ZINC000277183662 565481792 /nfs/dbraw/zinc/48/17/92/565481792.db2.gz HDBHROVXMAMKBV-OBZJLHOISA-N 0 2 387.839 3.205 20 30 GGEDLN Cc1c(C)c(C)c(S(=O)(=O)Nc2nc3n(c2C#N)CCS3)c(C)c1C ZINC000408467355 565610741 /nfs/dbraw/zinc/61/07/41/565610741.db2.gz KZGNEUAKTJJWOW-UHFFFAOYSA-N 0 2 376.507 3.203 20 30 GGEDLN CN(Cc1nc(=O)c2sccc2[nH]1)Cc1cc(C#N)ccc1Br ZINC000191839369 565637196 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C=CCCC[C@H](C)NC(=O)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000411355628 565726478 /nfs/dbraw/zinc/72/64/78/565726478.db2.gz POBIOMPCMJVXTL-NSHDSACASA-N 0 2 378.885 3.080 20 30 GGEDLN C=CCCC[C@@H](C)NC(=O)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000411355627 565726557 /nfs/dbraw/zinc/72/65/57/565726557.db2.gz POBIOMPCMJVXTL-LLVKDONJSA-N 0 2 378.885 3.080 20 30 GGEDLN N#CCc1ccccc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193358658 565747249 /nfs/dbraw/zinc/74/72/49/565747249.db2.gz FYHFYBICACOYTK-UHFFFAOYSA-N 0 2 396.222 3.224 20 30 GGEDLN C=CCSCCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000194484120 565818094 /nfs/dbraw/zinc/81/80/94/565818094.db2.gz KTBQSJFYSALGDZ-UHFFFAOYSA-N 0 2 396.559 3.127 20 30 GGEDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)o2)s1 ZINC000194839262 565842260 /nfs/dbraw/zinc/84/22/60/565842260.db2.gz HZPWIROBAUIYFM-UHFFFAOYSA-N 0 2 380.838 3.432 20 30 GGEDLN CC(C)CCc1nnc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)o1 ZINC000194873561 565844164 /nfs/dbraw/zinc/84/41/64/565844164.db2.gz 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391.758 3.349 20 30 GGEDLN COCCOc1ccc(F)cc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183045096 566236748 /nfs/dbraw/zinc/23/67/48/566236748.db2.gz BGMRNXLUDLCBIN-UHFFFAOYSA-N 0 2 384.816 3.177 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)c(Cl)c1 ZINC000183086127 566237378 /nfs/dbraw/zinc/23/73/78/566237378.db2.gz VFGKGXODMRMOBE-UHFFFAOYSA-N 0 2 376.800 3.337 20 30 GGEDLN C[C@H](NC(=O)CCCC#N)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000462263786 566270931 /nfs/dbraw/zinc/27/09/31/566270931.db2.gz PWVWWRDHSLSPMT-ZDUSSCGKSA-N 0 2 377.491 3.420 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(SCc3ccc(F)cc3)s2)o1 ZINC000575832172 566291120 /nfs/dbraw/zinc/29/11/20/566291120.db2.gz VMMDCJOSRYCTCX-UHFFFAOYSA-N 0 2 396.450 3.235 20 30 GGEDLN COc1cc(Br)cc(NS(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000535744193 566323839 /nfs/dbraw/zinc/32/38/39/566323839.db2.gz MLHCHAKHJYUVGM-UHFFFAOYSA-N 0 2 385.214 3.269 20 30 GGEDLN Cc1cc(N2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)c(C#N)c[nH+]1 ZINC000600678746 566359774 /nfs/dbraw/zinc/35/97/74/566359774.db2.gz UIIMOXSWTQQITK-JKSUJKDBSA-N 0 2 386.249 3.329 20 30 GGEDLN C=CCOc1ccccc1CNS(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000510243060 566371714 /nfs/dbraw/zinc/37/17/14/566371714.db2.gz PYXAWQIYQNWKJX-UHFFFAOYSA-N 0 2 375.343 3.286 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(Cc3ccsc3)o2)c(Cl)c1 ZINC000446964354 566374929 /nfs/dbraw/zinc/37/49/29/566374929.db2.gz HXJKTGQDHCSUNX-UHFFFAOYSA-N 0 2 380.838 3.048 20 30 GGEDLN Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446994481 566376808 /nfs/dbraw/zinc/37/68/08/566376808.db2.gz SUJCAXSZUGBDCP-UHFFFAOYSA-N 0 2 396.222 3.338 20 30 GGEDLN CC(C)(C#N)CNC(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000483415630 566382927 /nfs/dbraw/zinc/38/29/27/566382927.db2.gz JWOPTMYKOUIEAQ-UHFFFAOYSA-N 0 2 380.271 3.061 20 30 GGEDLN CCN1CCc2nc(NS(=O)(=O)c3ccc(CC#N)cc3Cl)sc2C1 ZINC000576912401 566389903 /nfs/dbraw/zinc/38/99/03/566389903.db2.gz WQPQFDVBZOWCSQ-UHFFFAOYSA-N 0 2 396.925 3.041 20 30 GGEDLN C=CCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000447278843 566400277 /nfs/dbraw/zinc/40/02/77/566400277.db2.gz OMLFKFPIUGSCHI-UHFFFAOYSA-N 0 2 380.853 3.065 20 30 GGEDLN COC(=O)c1nscc1S(=O)(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000447335808 566404470 /nfs/dbraw/zinc/40/44/70/566404470.db2.gz ZEEDMCRLPSTSBW-JTQLQIEISA-N 0 2 397.503 3.125 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)o1 ZINC000577095879 566404704 /nfs/dbraw/zinc/40/47/04/566404704.db2.gz HPPMTQLQIHLDNV-UHFFFAOYSA-N 0 2 384.801 3.263 20 30 GGEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000447775714 566428312 /nfs/dbraw/zinc/42/83/12/566428312.db2.gz FWYSUJKTBYIWNV-UHFFFAOYSA-N 0 2 382.825 3.038 20 30 GGEDLN CO[C@H]1CCOc2c(NS(=O)(=O)c3ccc(C#N)cc3Cl)cccc21 ZINC000447781190 566429124 /nfs/dbraw/zinc/42/91/24/566429124.db2.gz ZZLKUZZWRTWCFO-HNNXBMFYSA-N 0 2 378.837 3.482 20 30 GGEDLN Cn1cc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)n1 ZINC000447789413 566430768 /nfs/dbraw/zinc/43/07/68/566430768.db2.gz SGDBTQMNNPMVDF-UHFFFAOYSA-N 0 2 391.268 3.398 20 30 GGEDLN C=CCOCCCC(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000484578486 566437504 /nfs/dbraw/zinc/43/75/04/566437504.db2.gz XPZAVAHYRCRWJD-UHFFFAOYSA-N 0 2 382.283 3.311 20 30 GGEDLN CCC(=O)c1cccc(S(=O)(=O)Nc2nc(C)c(SCC#N)s2)c1 ZINC000448117434 566458373 /nfs/dbraw/zinc/45/83/73/566458373.db2.gz YFMZWUXMHCXLAP-UHFFFAOYSA-N 0 2 381.504 3.461 20 30 GGEDLN Cc1cc(Br)cc2c1[nH]cc(-c1noc([C@]3(C#N)C[C@H]3C)n1)c2=O ZINC000577698936 566458560 /nfs/dbraw/zinc/45/85/60/566458560.db2.gz QRWSCSQRDYWUFB-XLFHBGCDSA-N 0 2 385.221 3.450 20 30 GGEDLN N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000537755036 566467981 /nfs/dbraw/zinc/46/79/81/566467981.db2.gz GXTYKRKOKDOPFY-UHFFFAOYSA-N 0 2 399.255 3.124 20 30 GGEDLN CCN(C[C@H](C)C#N)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000485221430 566485066 /nfs/dbraw/zinc/48/50/66/566485066.db2.gz FNBFTOUDSDIQMH-CYBMUJFWSA-N 0 2 377.491 3.171 20 30 GGEDLN CC(C)Oc1cc(Br)cc(C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)c1 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1434357115 /nfs/dbraw/zinc/35/71/15/1434357115.db2.gz ROTHOVIFESDQTC-WKUDHBJBSA-N 0 2 397.928 3.079 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N/c2cccc(Cl)c2)N(C[C@@H](OC)C(C)C)C1=O ZINC000266635755 1434357117 /nfs/dbraw/zinc/35/71/17/1434357117.db2.gz ROTHOVIFESDQTC-WKUDHBJBSA-N 0 2 397.928 3.079 20 30 GGEDLN Cc1cccc(/N=C2\SC(CC(=O)NC3CC3)C(=O)N2Cc2ccn(C)c2)c1 ZINC000267105134 1434407630 /nfs/dbraw/zinc/40/76/30/1434407630.db2.gz PYDFFKYALFIDKL-GLEDVZQVSA-N 0 2 396.516 3.134 20 30 GGEDLN Cc1cccc(/N=C2\S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccn(C)c2)c1 ZINC000267105134 1434407632 /nfs/dbraw/zinc/40/76/32/1434407632.db2.gz PYDFFKYALFIDKL-GLEDVZQVSA-N 0 2 396.516 3.134 20 30 GGEDLN C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000269709761 1434671069 /nfs/dbraw/zinc/67/10/69/1434671069.db2.gz PXFROJAESZBSEN-KGLIPLIRSA-N 0 2 392.506 3.040 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)N3CC=C(C(F)(F)F)CC3)cc2[nH]c1=S ZINC000270535527 1434742471 /nfs/dbraw/zinc/74/24/71/1434742471.db2.gz WIFLSPFNMMELCY-UHFFFAOYSA-N 0 2 395.406 3.206 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N\c2cccc(C)c2)N(CC[C@@H]2CCCCO2)C1=O ZINC000272462937 1434897896 /nfs/dbraw/zinc/89/78/96/1434897896.db2.gz OIARNAHQAMSLPE-NFNQWWKFSA-N 0 2 389.521 3.022 20 30 GGEDLN Cc1ccc(F)c(/N=C2\SC(CC(=O)NC3CC3)C(=O)N2CCCC#N)c1 ZINC000273041692 1434953794 /nfs/dbraw/zinc/95/37/94/1434953794.db2.gz PDIIOQJEDGJCRP-LTUQMTLXSA-N 0 2 388.468 3.038 20 30 GGEDLN Cc1ccc(F)c(/N=C2\S[C@H](CC(=O)NC3CC3)C(=O)N2CCCC#N)c1 ZINC000273041692 1434953798 /nfs/dbraw/zinc/95/37/98/1434953798.db2.gz PDIIOQJEDGJCRP-LTUQMTLXSA-N 0 2 388.468 3.038 20 30 GGEDLN C[C@@H](/N=C1\S[C@@H](CC(=O)NC2CC2)C(=O)N1CCCC#N)c1cccs1 ZINC000273086036 1434959201 /nfs/dbraw/zinc/95/92/01/1434959201.db2.gz YVJFABLHTWPGGE-HVOWOZMZSA-N 0 2 390.534 3.082 20 30 GGEDLN N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(F)c(O)c(F)c3)CC2)c1 ZINC000273931269 1435029678 /nfs/dbraw/zinc/02/96/78/1435029678.db2.gz HYMLLRBUWOILTD-UHFFFAOYSA-N 0 2 385.370 3.033 20 30 GGEDLN CNC(=O)CC1S/C(=N\c2ccc(C)cc2C)N(C[C@@H]2CCSC2)C1=O ZINC000279050259 1435455714 /nfs/dbraw/zinc/45/57/14/1435455714.db2.gz ABYTZGPTDIHNGG-SVWZZKGWSA-N 0 2 391.562 3.124 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N\c2ccc(C)cc2C)N(C[C@@H]2CCSC2)C1=O ZINC000279050259 1435455715 /nfs/dbraw/zinc/45/57/15/1435455715.db2.gz ABYTZGPTDIHNGG-SVWZZKGWSA-N 0 2 391.562 3.124 20 30 GGEDLN CCc1cccc(/N=C2\S[C@H](CC(=O)NC)C(=O)N2C[C@@H]2CCSC2)c1 ZINC000279366179 1435491550 /nfs/dbraw/zinc/49/15/50/1435491550.db2.gz GNFAEHLFHLAWFA-SVWZZKGWSA-N 0 2 391.562 3.070 20 30 GGEDLN CNC(=O)CC1S/C(=N\c2c(C)cccc2C)N(C[C@@H]2CCSC2)C1=O ZINC000279434145 1435498873 /nfs/dbraw/zinc/49/88/73/1435498873.db2.gz LBZPVPBTSOTSIH-XXJQKADDSA-N 0 2 391.562 3.124 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N\c2c(C)cccc2C)N(C[C@@H]2CCSC2)C1=O ZINC000279434145 1435498874 /nfs/dbraw/zinc/49/88/74/1435498874.db2.gz LBZPVPBTSOTSIH-XXJQKADDSA-N 0 2 391.562 3.124 20 30 GGEDLN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2nc3cccnc3s2)C1=O ZINC000283767461 1435919454 /nfs/dbraw/zinc/91/94/54/1435919454.db2.gz LGZORWKVENHSNM-SFHVURJKSA-N 0 2 389.481 3.007 20 30 GGEDLN COc1ccc(C=CC(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc1-c1nnn[n-]1 ZINC000821787128 1441525363 /nfs/dbraw/zinc/52/53/63/1441525363.db2.gz OOAATIDYVUMTOZ-OQFOIZHKSA-N 0 2 386.415 3.266 20 30 GGEDLN Cc1nn(-c2ccccc2)c(C[N@H+](CCC#N)CC(C)(C)C)c1-c1nnn[n-]1 ZINC000826332072 1443362519 /nfs/dbraw/zinc/36/25/19/1443362519.db2.gz IWVJNKBXPYRMBU-UHFFFAOYSA-N 0 2 378.484 3.123 20 30 GGEDLN Cc1nn(-c2ccccc2)c(C[N@@H+](CCC#N)CC(C)(C)C)c1-c1nnn[n-]1 ZINC000826332072 1443362523 /nfs/dbraw/zinc/36/25/23/1443362523.db2.gz IWVJNKBXPYRMBU-UHFFFAOYSA-N 0 2 378.484 3.123 20 30 GGEDLN COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821712105 1443835125 /nfs/dbraw/zinc/83/51/25/1443835125.db2.gz CPRWOOBBGALMHH-HNNXBMFYSA-N 0 2 392.463 3.188 20 30 GGEDLN COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821712105 1443835129 /nfs/dbraw/zinc/83/51/29/1443835129.db2.gz CPRWOOBBGALMHH-HNNXBMFYSA-N 0 2 392.463 3.188 20 30 GGEDLN N#Cc1cccc(-c2c[nH]c(CNc3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)n2)c1 ZINC000826386570 1449209106 /nfs/dbraw/zinc/20/91/06/1449209106.db2.gz KENUTWIPCLXYHU-UHFFFAOYSA-N 0 2 397.446 3.014 20 30 GGEDLN C=CC[N@@H+](CC(=O)c1cc(C)n(CC)c1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819740097 1450340885 /nfs/dbraw/zinc/34/08/85/1450340885.db2.gz OMPVEXVWEVEDBT-UHFFFAOYSA-N 0 2 378.480 3.176 20 30 GGEDLN C=CC[N@H+](CC(=O)c1cc(C)n(CC)c1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819740097 1450340886 /nfs/dbraw/zinc/34/08/86/1450340886.db2.gz OMPVEXVWEVEDBT-UHFFFAOYSA-N 0 2 378.480 3.176 20 30 GGEDLN COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000873640489 956068963 /nfs/dbraw/zinc/06/89/63/956068963.db2.gz FMUAKTVJBYLZQO-HXUWFJFHSA-N 0 2 378.428 3.350 20 30 GGEDLN COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001604271704 972829037 /nfs/dbraw/zinc/82/90/37/972829037.db2.gz MUZKAYITBJQQHU-HXUWFJFHSA-N 0 2 378.428 3.350 20 30 GGEDLN C=CCn1c(COc2ccccc2)nn(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000825711022 978940846 /nfs/dbraw/zinc/94/08/46/978940846.db2.gz LRXSPEQKRKMIJR-OAHLLOKOSA-N 0 2 388.493 3.076 20 30 GGEDLN C=CCn1c(COc2ccccc2)nn(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000825711022 978940849 /nfs/dbraw/zinc/94/08/49/978940849.db2.gz LRXSPEQKRKMIJR-OAHLLOKOSA-N 0 2 388.493 3.076 20 30 GGEDLN CC[C@]([NH2+]CC(=O)Nc1sccc1C#N)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595286589 980363931 /nfs/dbraw/zinc/36/39/31/980363931.db2.gz GVOGUXTZZQJCIX-QGZVFWFLSA-N 0 2 377.853 3.191 20 30 GGEDLN C=CCCC[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)C(=O)[O-] ZINC000910915972 982163246 /nfs/dbraw/zinc/16/32/46/982163246.db2.gz RYBOJJBTHGWFMT-LJQANCHMSA-N 0 2 381.476 3.152 20 30 GGEDLN C=CCCC[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)C(=O)[O-] ZINC000910915972 982163248 /nfs/dbraw/zinc/16/32/48/982163248.db2.gz RYBOJJBTHGWFMT-LJQANCHMSA-N 0 2 381.476 3.152 20 30 GGEDLN CCCCOc1ccc(-c2nnc(C[NH+]3CCC(C#N)(C(=O)[O-])CC3)o2)cc1 ZINC001595774075 982527643 /nfs/dbraw/zinc/52/76/43/982527643.db2.gz GZRBCSQZIGGNCI-UHFFFAOYSA-N 0 2 384.436 3.106 20 30 GGEDLN C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588592432 983677542 /nfs/dbraw/zinc/67/75/42/983677542.db2.gz YFOZYZZEDRQYKA-IAGOWNOFSA-N 0 2 375.517 3.092 20 30 GGEDLN C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588592432 983677546 /nfs/dbraw/zinc/67/75/46/983677546.db2.gz YFOZYZZEDRQYKA-IAGOWNOFSA-N 0 2 375.517 3.092 20 30 GGEDLN C=CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)[C@@H](C)COC ZINC001588824153 984297306 /nfs/dbraw/zinc/29/73/06/984297306.db2.gz VYWSSLYYCJXLLS-OLZOCXBDSA-N 0 2 380.510 3.033 20 30 GGEDLN C=CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)[C@@H](C)COC ZINC001588824153 984297315 /nfs/dbraw/zinc/29/73/15/984297315.db2.gz VYWSSLYYCJXLLS-OLZOCXBDSA-N 0 2 380.510 3.033 20 30 GGEDLN C=CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)[C@H](C)COC ZINC001588824152 984297420 /nfs/dbraw/zinc/29/74/20/984297420.db2.gz VYWSSLYYCJXLLS-CHWSQXEVSA-N 0 2 380.510 3.033 20 30 GGEDLN C=CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)[C@H](C)COC ZINC001588824152 984297428 /nfs/dbraw/zinc/29/74/28/984297428.db2.gz VYWSSLYYCJXLLS-CHWSQXEVSA-N 0 2 380.510 3.033 20 30 GGEDLN C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c1=S ZINC001588889303 984478341 /nfs/dbraw/zinc/47/83/41/984478341.db2.gz PHZCDUFTOPRQJK-IUODEOHRSA-N 0 2 376.457 3.159 20 30 GGEDLN C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c1=S ZINC001588889303 984478345 /nfs/dbraw/zinc/47/83/45/984478345.db2.gz PHZCDUFTOPRQJK-IUODEOHRSA-N 0 2 376.457 3.159 20 30 GGEDLN CC(=O)[C@@](C#N)(CC[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC001589021685 985012274 /nfs/dbraw/zinc/01/22/74/985012274.db2.gz SICWPUDTQZJELY-QFIPXVFZSA-N 0 2 378.428 3.020 20 30 GGEDLN CC(=O)[C@@](C#N)(CC[N@H+]1CCOc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC001589021685 985012288 /nfs/dbraw/zinc/01/22/88/985012288.db2.gz SICWPUDTQZJELY-QFIPXVFZSA-N 0 2 378.428 3.020 20 30 GGEDLN CC(=O)[C@](C#N)(CC[N@@H+]1CCOc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001589021636 985012982 /nfs/dbraw/zinc/01/29/82/985012982.db2.gz RFRQHTZKQAOHJF-JOCHJYFZSA-N 0 2 378.428 3.020 20 30 GGEDLN CC(=O)[C@](C#N)(CC[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001589021636 985012992 /nfs/dbraw/zinc/01/29/92/985012992.db2.gz RFRQHTZKQAOHJF-JOCHJYFZSA-N 0 2 378.428 3.020 20 30 GGEDLN C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccccc1 ZINC001589331801 986192592 /nfs/dbraw/zinc/19/25/92/986192592.db2.gz PMJCOTCQOAKVDB-BTYIYWSLSA-N 0 2 397.500 3.466 20 30 GGEDLN C[C@@H](c1ncc(C(=O)[O-])s1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001593731703 996304307 /nfs/dbraw/zinc/30/43/07/996304307.db2.gz HWUURKXHNVXANK-NSHDSACASA-N 0 2 375.425 3.456 20 30 GGEDLN COc1cc(C#N)ccc1C[NH+]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001599348022 998044563 /nfs/dbraw/zinc/04/45/63/998044563.db2.gz QGZWAPFFKMPQOY-HXUWFJFHSA-N 0 2 399.878 3.164 20 30 GGEDLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1cc(C#N)ccc1F)CC2 ZINC001599463528 998317624 /nfs/dbraw/zinc/31/76/24/998317624.db2.gz HPHNZYNDEQRSJB-GOSISDBHSA-N 0 2 384.407 3.289 20 30 GGEDLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cc(C#N)ccc1F)CC2 ZINC001599463528 998317636 /nfs/dbraw/zinc/31/76/36/998317636.db2.gz HPHNZYNDEQRSJB-GOSISDBHSA-N 0 2 384.407 3.289 20 30 GGEDLN C=CCn1c(=O)c2ccccc2nc1SCc1nc(=O)c2sccc2[nH]1 ZINC000006595630 209129264 /nfs/dbraw/zinc/12/92/64/209129264.db2.gz FJFAZWHCOMUWIS-UHFFFAOYSA-N 0 2 382.470 3.173 20 30 GGEDLN C/N=C1\SC(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N1C ZINC000021850503 207239177 /nfs/dbraw/zinc/23/91/77/207239177.db2.gz SGCMMDDVGOTUHJ-ICHPLGEASA-N 0 2 379.791 3.247 20 30 GGEDLN C/N=C1\S[C@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N1C ZINC000021850503 207239183 /nfs/dbraw/zinc/23/91/83/207239183.db2.gz SGCMMDDVGOTUHJ-ICHPLGEASA-N 0 2 379.791 3.247 20 30 GGEDLN CC(C)(C)[C@H](C#N)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000079022877 518954784 /nfs/dbraw/zinc/95/47/84/518954784.db2.gz QIYLDFBRPOJWRG-AWEZNQCLSA-N 0 2 377.491 3.217 20 30 GGEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000114850010 564183055 /nfs/dbraw/zinc/18/30/55/564183055.db2.gz OOUUSDJMLIIJEX-UHFFFAOYSA-N 0 2 375.475 3.279 20 30 GGEDLN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1cc(C(F)(F)F)ccc1F ZINC000118301164 564238635 /nfs/dbraw/zinc/23/86/35/564238635.db2.gz OGFTYKRBBYIVLD-UHFFFAOYSA-N 0 2 391.268 3.404 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCS[C@H](C)[C@H]3C)cc2[nH]c1=S ZINC000118530013 564241362 /nfs/dbraw/zinc/24/13/62/564241362.db2.gz WHHBVJVFDZQFQO-VXGBXAGGSA-N 0 2 375.519 3.211 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCS[C@H](C)[C@@H]3C)cc2[nH]c1=S ZINC000118530014 564241643 /nfs/dbraw/zinc/24/16/43/564241643.db2.gz WHHBVJVFDZQFQO-NWDGAFQWSA-N 0 2 375.519 3.211 20 30 GGEDLN COc1ccc(NC(=O)CC2S/C(=N\CCC(C)C)NC2=O)cc1Cl ZINC000007883055 564242402 /nfs/dbraw/zinc/24/24/02/564242402.db2.gz KXSNWDBSRFVEPZ-CQSZACIVSA-N 0 2 383.901 3.311 20 30 GGEDLN COc1ccc(NC(=O)C[C@H]2S/C(=N\CCC(C)C)NC2=O)cc1Cl ZINC000007883055 564242405 /nfs/dbraw/zinc/24/24/05/564242405.db2.gz KXSNWDBSRFVEPZ-CQSZACIVSA-N 0 2 383.901 3.311 20 30 GGEDLN CCCC/N=C1\NC(=O)C(CC(=O)Nc2ccccc2Br)S1 ZINC000007883090 564242715 /nfs/dbraw/zinc/24/27/15/564242715.db2.gz RTSLJGUADRVVNH-LBPRGKRZSA-N 0 2 384.299 3.165 20 30 GGEDLN CCCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2Br)S1 ZINC000007883090 564242720 /nfs/dbraw/zinc/24/27/20/564242720.db2.gz RTSLJGUADRVVNH-LBPRGKRZSA-N 0 2 384.299 3.165 20 30 GGEDLN CCCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1 ZINC000007883079 564242820 /nfs/dbraw/zinc/24/28/20/564242820.db2.gz GBMQGORDIMHNBO-GFCCVEGCSA-N 0 2 384.299 3.165 20 30 GGEDLN CCCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1 ZINC000007883079 564242824 /nfs/dbraw/zinc/24/28/24/564242824.db2.gz GBMQGORDIMHNBO-GFCCVEGCSA-N 0 2 384.299 3.165 20 30 GGEDLN CCCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1 ZINC000007883078 564243102 /nfs/dbraw/zinc/24/31/02/564243102.db2.gz GBMQGORDIMHNBO-LBPRGKRZSA-N 0 2 384.299 3.165 20 30 GGEDLN CCCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1 ZINC000007883078 564243105 /nfs/dbraw/zinc/24/31/05/564243105.db2.gz GBMQGORDIMHNBO-LBPRGKRZSA-N 0 2 384.299 3.165 20 30 GGEDLN COc1cc(Cl)c(C)cc1NC(=O)CC1S/C(=N\CC(C)C)NC1=O ZINC000008491122 564249771 /nfs/dbraw/zinc/24/97/71/564249771.db2.gz HYDJPLKDFUBVAF-CQSZACIVSA-N 0 2 383.901 3.229 20 30 GGEDLN COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1S/C(=N\CC(C)C)NC1=O ZINC000008491122 564249777 /nfs/dbraw/zinc/24/97/77/564249777.db2.gz HYDJPLKDFUBVAF-CQSZACIVSA-N 0 2 383.901 3.229 20 30 GGEDLN COc1cc(Cl)c(C)cc1NC(=O)CC1S/C(=N\C(C)(C)C)NC1=O ZINC000022452062 564317508 /nfs/dbraw/zinc/31/75/08/564317508.db2.gz NHUZCBGCCXTQND-CYBMUJFWSA-N 0 2 383.901 3.372 20 30 GGEDLN COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1S/C(=N\C(C)(C)C)NC1=O ZINC000022452062 564317510 /nfs/dbraw/zinc/31/75/10/564317510.db2.gz NHUZCBGCCXTQND-CYBMUJFWSA-N 0 2 383.901 3.372 20 30 GGEDLN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(Br)c1 ZINC000120492383 564322565 /nfs/dbraw/zinc/32/25/65/564322565.db2.gz OPTXUNRLFKIGJL-UHFFFAOYSA-N 0 2 382.195 3.030 20 30 GGEDLN COc1ccc(Cl)cc1CN(C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000025459098 564338824 /nfs/dbraw/zinc/33/88/24/564338824.db2.gz PROWLJOXHLYDAQ-UHFFFAOYSA-N 0 2 377.853 3.315 20 30 GGEDLN COc1ccsc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000120884155 564341213 /nfs/dbraw/zinc/34/12/13/564341213.db2.gz CJUDCFKHCRAVSB-UHFFFAOYSA-N 0 2 392.380 3.370 20 30 GGEDLN Cc1ccc(Br)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120914335 564343401 /nfs/dbraw/zinc/34/34/01/564343401.db2.gz XJMLMPXSGKGMRE-UHFFFAOYSA-N 0 2 396.222 3.338 20 30 GGEDLN CSc1[nH]c(=O)c(C(=O)N(C)Cc2ccc(Br)cc2)cc1C#N ZINC000120980159 564347216 /nfs/dbraw/zinc/34/72/16/564347216.db2.gz TZEFKNJWPRGAEE-UHFFFAOYSA-N 0 2 392.278 3.003 20 30 GGEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1C#N ZINC000121071835 564351479 /nfs/dbraw/zinc/35/14/79/564351479.db2.gz QMOLCAIKFSDGQK-ZDUSSCGKSA-N 0 2 375.450 3.074 20 30 GGEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1C#N ZINC000121087558 564352430 /nfs/dbraw/zinc/35/24/30/564352430.db2.gz QIKOULKFGSKERJ-UHFFFAOYSA-N 0 2 385.779 3.476 20 30 GGEDLN CC(C)(C)[C@H](C#N)NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000122342434 564409897 /nfs/dbraw/zinc/40/98/97/564409897.db2.gz BZXDFICHBPVEDL-AWEZNQCLSA-N 0 2 377.491 3.217 20 30 GGEDLN Cc1nc(NS(=O)(=O)c2cc(F)c(C)cc2F)sc1SCC#N ZINC000122911917 564431640 /nfs/dbraw/zinc/43/16/40/564431640.db2.gz XSAOFQQRHJMAKU-UHFFFAOYSA-N 0 2 375.447 3.455 20 30 GGEDLN CCN(C[C@@H](C)C#N)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000047533873 564522436 /nfs/dbraw/zinc/52/24/36/564522436.db2.gz UACLXRQQEPOVEU-ZDUSSCGKSA-N 0 2 377.491 3.171 20 30 GGEDLN CCN(C[C@H](C)C#N)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000047533874 564522970 /nfs/dbraw/zinc/52/29/70/564522970.db2.gz UACLXRQQEPOVEU-CYBMUJFWSA-N 0 2 377.491 3.171 20 30 GGEDLN COC(=O)c1sccc1S(=O)(=O)Nc1cccc(OCCCC#N)c1 ZINC000055639971 564627237 /nfs/dbraw/zinc/62/72/37/564627237.db2.gz HODDFKPZGZAKEH-UHFFFAOYSA-N 0 2 380.447 3.018 20 30 GGEDLN Cc1cc(Br)cnc1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000129588838 564653074 /nfs/dbraw/zinc/65/30/74/564653074.db2.gz GRHMCHPLTQGAPF-UHFFFAOYSA-N 0 2 386.658 3.478 20 30 GGEDLN Cc1c(Br)cccc1NS(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130380773 564679001 /nfs/dbraw/zinc/67/90/01/564679001.db2.gz PFFPLBCNIDVWMU-UHFFFAOYSA-N 0 2 396.222 3.338 20 30 GGEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C)cc1Br ZINC000064479047 564730810 /nfs/dbraw/zinc/73/08/10/564730810.db2.gz CQEVKJOYKFDTCF-UHFFFAOYSA-N 0 2 381.251 3.439 20 30 GGEDLN CSc1[nH]c(=O)c(C(=O)NCC(C)(C)c2ccc(Cl)cc2)cc1C#N ZINC000132587899 564747900 /nfs/dbraw/zinc/74/79/00/564747900.db2.gz STYFKUZAHMGOLR-UHFFFAOYSA-N 0 2 375.881 3.329 20 30 GGEDLN CSc1[nH]c(=O)c(C(=O)NCCOc2cccc(Cl)c2Cl)cc1C#N ZINC000065753957 564748472 /nfs/dbraw/zinc/74/84/72/564748472.db2.gz LOUOTWHKQVHCKH-UHFFFAOYSA-N 0 2 398.271 3.496 20 30 GGEDLN COc1ccc(F)cc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000132680469 564749730 /nfs/dbraw/zinc/74/97/30/564749730.db2.gz VVKHYPFKZYJXBP-UHFFFAOYSA-N 0 2 385.214 3.269 20 30 GGEDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C)c(SCC#N)s1 ZINC000066253700 564758915 /nfs/dbraw/zinc/75/89/15/564758915.db2.gz SJXQCXDELUXEPX-UHFFFAOYSA-N 0 2 398.491 3.339 20 30 GGEDLN Cc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)sc1SCC#N ZINC000066253699 564759034 /nfs/dbraw/zinc/75/90/34/564759034.db2.gz XNIBTZMGFARUBC-UHFFFAOYSA-N 0 2 384.464 3.085 20 30 GGEDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)sc1SCC#N ZINC000066253698 564759244 /nfs/dbraw/zinc/75/92/44/564759244.db2.gz ADNVFVJYQVPSIG-UHFFFAOYSA-N 0 2 384.464 3.085 20 30 GGEDLN COc1cc(C)c(S(=O)(=O)Nc2nc(C)c(SCC#N)s2)cc1OC ZINC000066253713 564759860 /nfs/dbraw/zinc/75/98/60/564759860.db2.gz VXOSNCXWZOQUAS-UHFFFAOYSA-N 0 2 399.519 3.194 20 30 GGEDLN Cc1nc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)sc1SCC#N ZINC000066253728 564760124 /nfs/dbraw/zinc/76/01/24/564760124.db2.gz OUSHLINVNQURSV-UHFFFAOYSA-N 0 2 391.503 3.054 20 30 GGEDLN N#CCCCOc1cccnc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000069677466 564842989 /nfs/dbraw/zinc/84/29/89/564842989.db2.gz BVCUCESFQYUTSL-UHFFFAOYSA-N 0 2 396.266 3.327 20 30 GGEDLN CC/N=C1\SC(CC(=O)Nc2cc(C)c(Cl)cc2OC)C(=O)N1CC ZINC000102420670 564929695 /nfs/dbraw/zinc/92/96/95/564929695.db2.gz VLSFVWSBNYAQMT-RMYFCYLKSA-N 0 2 383.901 3.325 20 30 GGEDLN CC/N=C1\S[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)C(=O)N1CC ZINC000102420670 564929698 /nfs/dbraw/zinc/92/96/98/564929698.db2.gz VLSFVWSBNYAQMT-RMYFCYLKSA-N 0 2 383.901 3.325 20 30 GGEDLN CCOCCOc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1C#N ZINC000102862376 564937929 /nfs/dbraw/zinc/93/79/29/564937929.db2.gz OBHUOXFKGFNQHC-UHFFFAOYSA-N 0 2 380.853 3.428 20 30 GGEDLN CCOc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000152628985 564966224 /nfs/dbraw/zinc/96/62/24/564966224.db2.gz YHUHISDJFHKTGA-UHFFFAOYSA-N 0 2 381.797 3.319 20 30 GGEDLN N#Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1Cl ZINC000152766952 564970763 /nfs/dbraw/zinc/97/07/63/564970763.db2.gz XSUQZGKFWVNKDK-UHFFFAOYSA-N 0 2 376.800 3.337 20 30 GGEDLN CC(C)(C)c1ncc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)cn1 ZINC000153978144 565020047 /nfs/dbraw/zinc/02/00/47/565020047.db2.gz DCZKMQRPFBSMPG-UHFFFAOYSA-N 0 2 395.282 3.209 20 30 GGEDLN N#Cc1cc(Br)cc(S(=O)(=O)Nc2nc(C3CC3)cs2)c1 ZINC000154007081 565021843 /nfs/dbraw/zinc/02/18/43/565021843.db2.gz ITYXPUNKNQNHJK-UHFFFAOYSA-N 0 2 384.280 3.455 20 30 GGEDLN N#Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000114053989 565072278 /nfs/dbraw/zinc/07/22/78/565072278.db2.gz VEHGSPIDRFKVLB-UHFFFAOYSA-N 0 2 396.925 3.455 20 30 GGEDLN C=CCCCS(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 ZINC000291879974 565083588 /nfs/dbraw/zinc/08/35/88/565083588.db2.gz MVEKVVABDSKQGL-UHFFFAOYSA-N 0 2 385.536 3.216 20 30 GGEDLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000185960496 565231684 /nfs/dbraw/zinc/23/16/84/565231684.db2.gz MIVWYSGBLSSXER-UHFFFAOYSA-N 0 2 378.763 3.073 20 30 GGEDLN COc1ccc(S(=O)(=O)Nc2cc(C)n(CCC#N)n2)c(Cl)c1Cl ZINC000271102955 565238423 /nfs/dbraw/zinc/23/84/23/565238423.db2.gz YSYPUKZCVDINBL-UHFFFAOYSA-N 0 2 389.264 3.221 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)cc1C(F)(F)F ZINC000160471565 565247255 /nfs/dbraw/zinc/24/72/55/565247255.db2.gz ZXFAJPWQBDJKNR-UHFFFAOYSA-N 0 2 384.311 3.167 20 30 GGEDLN C=CCN(C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1CC1 ZINC000271537707 565258234 /nfs/dbraw/zinc/25/82/34/565258234.db2.gz MZRSYEAPZNTBFX-UHFFFAOYSA-N 0 2 378.479 3.126 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cn2)c(Cl)c1 ZINC000186590900 565271418 /nfs/dbraw/zinc/27/14/18/565271418.db2.gz HCUBGHTWCKQNBJ-UHFFFAOYSA-N 0 2 376.869 3.398 20 30 GGEDLN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)c1 ZINC000186946178 565298054 /nfs/dbraw/zinc/29/80/54/565298054.db2.gz WCHKOBDMSBJFRR-UHFFFAOYSA-N 0 2 391.758 3.349 20 30 GGEDLN COCCCOc1ccccc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186966818 565298675 /nfs/dbraw/zinc/29/86/75/565298675.db2.gz FBVIPEQBTRVDGN-UHFFFAOYSA-N 0 2 380.853 3.428 20 30 GGEDLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1Br ZINC000187016686 565302368 /nfs/dbraw/zinc/30/23/68/565302368.db2.gz BVAKDDUZMCEWSO-UHFFFAOYSA-N 0 2 394.250 3.080 20 30 GGEDLN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)c1 ZINC000187024319 565302703 /nfs/dbraw/zinc/30/27/03/565302703.db2.gz YPTUJRZUWUJXEL-ZDUSSCGKSA-N 0 2 378.837 3.180 20 30 GGEDLN CSc1ccccc1S(=O)(=O)Nc1cc(C#N)c(Br)cn1 ZINC000187030119 565303886 /nfs/dbraw/zinc/30/38/86/565303886.db2.gz RWQJYTUWCPTCCQ-UHFFFAOYSA-N 0 2 384.280 3.238 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N\c2cccc(Cl)c2C)N(CCCC#N)C1=O ZINC000273060968 565306099 /nfs/dbraw/zinc/30/60/99/565306099.db2.gz STANNWFKOTVIAN-GICLCMKGSA-N 0 2 378.885 3.020 20 30 GGEDLN C[C@H](C1CC1)n1cc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)cn1 ZINC000187733204 565351463 /nfs/dbraw/zinc/35/14/63/565351463.db2.gz HZGBHSDOGFKRMX-SNVBAGLBSA-N 0 2 395.282 3.289 20 30 GGEDLN CC(C)CCn1ccc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)n1 ZINC000164539475 565361265 /nfs/dbraw/zinc/36/12/65/565361265.db2.gz PNUHKGLJSCCNMO-UHFFFAOYSA-N 0 2 397.298 3.364 20 30 GGEDLN C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000164761821 565362389 /nfs/dbraw/zinc/36/23/89/565362389.db2.gz WRZCNQIORPFPFO-SNVBAGLBSA-N 0 2 382.898 3.370 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2O)c(Cl)c1 ZINC000169255349 565381737 /nfs/dbraw/zinc/38/17/37/565381737.db2.gz WOKBXXQLUVTSQB-UHFFFAOYSA-N 0 2 387.642 3.481 20 30 GGEDLN O=C(C[C@H]1S/C(=N/c2ccc(F)c(Cl)c2)N(C2CC2)C1=O)NC1CC1 ZINC000298296822 565408772 /nfs/dbraw/zinc/40/87/72/565408772.db2.gz JINQTYILDUSOIO-LQFHHUIYSA-N 0 2 381.860 3.242 20 30 GGEDLN O=C(CC1S/C(=N/c2ccc(F)c(Cl)c2)N(C2CC2)C1=O)NC1CC1 ZINC000298296822 565408774 /nfs/dbraw/zinc/40/87/74/565408774.db2.gz JINQTYILDUSOIO-LQFHHUIYSA-N 0 2 381.860 3.242 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2ncc(Cc3ccccc3Cl)s2)cn1 ZINC000171152130 565414355 /nfs/dbraw/zinc/41/43/55/565414355.db2.gz IQAFZHCTZYOFML-UHFFFAOYSA-N 0 2 390.877 3.455 20 30 GGEDLN Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000171264294 565422463 /nfs/dbraw/zinc/42/24/63/565422463.db2.gz JXYCPNGFKJGAAX-UHFFFAOYSA-N 0 2 396.222 3.338 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N\c2ccccc2Cl)N(CCCCC#N)C1=O ZINC000171417035 565430567 /nfs/dbraw/zinc/43/05/67/565430567.db2.gz YWPSEPNUYNJEOS-GICLCMKGSA-N 0 2 378.885 3.101 20 30 GGEDLN CNC(=O)CC1S/C(=N\c2ccccc2Cl)N(CCCCC#N)C1=O ZINC000171417035 565430573 /nfs/dbraw/zinc/43/05/73/565430573.db2.gz YWPSEPNUYNJEOS-GICLCMKGSA-N 0 2 378.885 3.101 20 30 GGEDLN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1C#N ZINC000189076215 565442801 /nfs/dbraw/zinc/44/28/01/565442801.db2.gz ONOWBWNHALFOIU-LBPRGKRZSA-N 0 2 380.853 3.426 20 30 GGEDLN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)CC#N)cc2)s1 ZINC000276403366 565447961 /nfs/dbraw/zinc/44/79/61/565447961.db2.gz CNTNWXDTMYBPRG-UHFFFAOYSA-N 0 2 398.531 3.144 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N\c2cccc(Cl)c2)N(C2CC(F)(F)C2)C1=O ZINC000277183654 565481736 /nfs/dbraw/zinc/48/17/36/565481736.db2.gz HDBHROVXMAMKBV-DMJQWXIHSA-N 0 2 387.839 3.205 20 30 GGEDLN CNC(=O)CC1S/C(=N\c2cccc(Cl)c2)N(C2CC(F)(F)C2)C1=O ZINC000277183654 565481743 /nfs/dbraw/zinc/48/17/43/565481743.db2.gz HDBHROVXMAMKBV-DMJQWXIHSA-N 0 2 387.839 3.205 20 30 GGEDLN N#Cc1ncn(-c2ccccc2NS(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000378019868 565509374 /nfs/dbraw/zinc/50/93/74/565509374.db2.gz SNWIZWPSFHITOY-UHFFFAOYSA-N 0 2 394.243 3.247 20 30 GGEDLN N#CCCn1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000191159341 565585178 /nfs/dbraw/zinc/58/51/78/565585178.db2.gz HKQLPXYKTAOGBU-UHFFFAOYSA-N 0 2 389.662 3.013 20 30 GGEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(Br)cc1C#N ZINC000317653360 565595164 /nfs/dbraw/zinc/59/51/64/565595164.db2.gz CZQUOZRVHNWDLP-UHFFFAOYSA-N 0 2 376.235 3.302 20 30 GGEDLN N#Cc1cncc(S(=O)(=O)Nc2cccc3cc(Br)cnc32)c1 ZINC000324349157 565618274 /nfs/dbraw/zinc/61/82/74/565618274.db2.gz FXDFBYMQBMCCHN-UHFFFAOYSA-N 0 2 389.234 3.065 20 30 GGEDLN Cc1nc(NS(=O)(=O)c2cccc(Cl)c2C#N)ccc1Br ZINC000174327086 565629862 /nfs/dbraw/zinc/62/98/62/565629862.db2.gz VTLRXKGABFNBSP-UHFFFAOYSA-N 0 2 386.658 3.478 20 30 GGEDLN Cn1nccc1[C@@H]1[C@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC(=O)N1C ZINC000328948190 565648715 /nfs/dbraw/zinc/64/87/15/565648715.db2.gz MWBJENSVWGZCBU-OTYXRUKQSA-N 0 2 383.235 3.240 20 30 GGEDLN COc1ccc(Br)c(CS(=O)(=O)Nc2ccc(F)cc2C#N)c1 ZINC000410335724 565678383 /nfs/dbraw/zinc/67/83/83/565678383.db2.gz WLZVJFDGXCVSHT-UHFFFAOYSA-N 0 2 399.241 3.410 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N/c2ccc(SC(F)F)cc2)N(CCF)C1=O ZINC000280577143 565681728 /nfs/dbraw/zinc/68/17/28/565681728.db2.gz MIIKQZJBYGTVOJ-PDYGYHTQSA-N 0 2 391.440 3.038 20 30 GGEDLN CNC(=O)CC1S/C(=N/c2ccc(SC(F)F)cc2)N(CCF)C1=O ZINC000280577143 565681729 /nfs/dbraw/zinc/68/17/29/565681729.db2.gz MIIKQZJBYGTVOJ-PDYGYHTQSA-N 0 2 391.440 3.038 20 30 GGEDLN CCn1ncc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1C(F)(F)F ZINC000410405518 565683054 /nfs/dbraw/zinc/68/30/54/565683054.db2.gz RACMYMREEKYNAB-UHFFFAOYSA-N 0 2 378.763 3.248 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N/c2cc(Cl)cc(Cl)c2)N(CCF)C1=O ZINC000280628672 565684714 /nfs/dbraw/zinc/68/47/14/565684714.db2.gz SQVMHHMHAJJNCD-NUSFMGPTSA-N 0 2 378.256 3.031 20 30 GGEDLN CNC(=O)CC1S/C(=N/c2cc(Cl)cc(Cl)c2)N(CCF)C1=O ZINC000280628672 565684723 /nfs/dbraw/zinc/68/47/23/565684723.db2.gz SQVMHHMHAJJNCD-NUSFMGPTSA-N 0 2 378.256 3.031 20 30 GGEDLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccccc2CC#N)cc1Cl ZINC000193357243 565747101 /nfs/dbraw/zinc/74/71/01/565747101.db2.gz ARWLNMHFWWBSIH-UHFFFAOYSA-N 0 2 381.816 3.304 20 30 GGEDLN CCOC1CC(C/N=C/c2cc(Cl)cc(Cl)c2O)(N2CCOCC2)C1 ZINC000193738583 565772868 /nfs/dbraw/zinc/77/28/68/565772868.db2.gz GZHIUVVNZRAKNV-SRZZPIQSSA-N 0 2 387.307 3.388 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCSC(C)(C)C3)cc2[nH]c1=S ZINC000176461542 565775176 /nfs/dbraw/zinc/77/51/76/565775176.db2.gz ASOGEJBUCVMYQO-UHFFFAOYSA-N 0 2 375.519 3.213 20 30 GGEDLN Cc1nsc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3O)CC2)c1C#N ZINC000332488359 565840143 /nfs/dbraw/zinc/84/01/43/565840143.db2.gz YPCHYTDMYIIHSM-UHFFFAOYSA-N 0 2 397.287 3.298 20 30 GGEDLN C=CCOc1ccc(Br)cc1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000414386627 565920506 /nfs/dbraw/zinc/92/05/06/565920506.db2.gz HJOLWURRGQBTDZ-ZDUSSCGKSA-N 0 2 390.299 3.325 20 30 GGEDLN N#Cc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)ncc1Br ZINC000180758935 566086564 /nfs/dbraw/zinc/08/65/64/566086564.db2.gz KPUIZCPLRREWAA-UHFFFAOYSA-N 0 2 390.621 3.309 20 30 GGEDLN N#Cc1cc(NS(=O)(=O)c2cccc3cccnc32)ncc1Br ZINC000180759503 566087355 /nfs/dbraw/zinc/08/73/55/566087355.db2.gz RTFOCXOEENRIDE-UHFFFAOYSA-N 0 2 389.234 3.065 20 30 GGEDLN Cc1ccc(S(=O)(=O)Nc2cc(C#N)c(Br)cn2)cc1Cl ZINC000180759597 566087369 /nfs/dbraw/zinc/08/73/69/566087369.db2.gz JNWJQWTWKCEJCI-UHFFFAOYSA-N 0 2 386.658 3.478 20 30 GGEDLN CC(C)S(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000180978354 566103937 /nfs/dbraw/zinc/10/39/37/566103937.db2.gz BKOCEEMSAZQMFI-UHFFFAOYSA-N 0 2 398.893 3.195 20 30 GGEDLN Cc1csc([C@@H](C#N)C(=O)c2cc(S(C)(=O)=O)ccc2OC(C)C)n1 ZINC000180993143 566104658 /nfs/dbraw/zinc/10/46/58/566104658.db2.gz ZCZMPNIMSVLIKU-AWEZNQCLSA-N 0 2 378.475 3.132 20 30 GGEDLN Cc1csc([C@H](C#N)C(=O)c2cc(S(C)(=O)=O)ccc2OC(C)C)n1 ZINC000180993164 566104854 /nfs/dbraw/zinc/10/48/54/566104854.db2.gz ZCZMPNIMSVLIKU-CQSZACIVSA-N 0 2 378.475 3.132 20 30 GGEDLN O=C([C@@H](F)C(F)(F)F)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000365616045 566111266 /nfs/dbraw/zinc/11/12/66/566111266.db2.gz IYBXEHDNONKCQY-WDEREUQCSA-N 0 2 375.240 3.386 20 30 GGEDLN O=C(C(F)C(F)(F)F)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000365616045 566111272 /nfs/dbraw/zinc/11/12/72/566111272.db2.gz IYBXEHDNONKCQY-WDEREUQCSA-N 0 2 375.240 3.386 20 30 GGEDLN Cc1nc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)sc1SCC#N ZINC000182529241 566209616 /nfs/dbraw/zinc/20/96/16/566209616.db2.gz VVMJEPWDMJGEJZ-UHFFFAOYSA-N 0 2 399.567 3.337 20 30 GGEDLN Cn1nccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000264493170 566217114 /nfs/dbraw/zinc/21/71/14/566217114.db2.gz DXUNBHPLXAERDG-UHFFFAOYSA-N 0 2 390.412 3.245 20 30 GGEDLN COCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183013534 566234896 /nfs/dbraw/zinc/23/48/96/566234896.db2.gz FVWGYMFCYSRCRM-UHFFFAOYSA-N 0 2 380.853 3.346 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)c(Cl)c1 ZINC000183089471 566237947 /nfs/dbraw/zinc/23/79/47/566237947.db2.gz XXJYTGDXKWTZRT-CYBMUJFWSA-N 0 2 378.837 3.180 20 30 GGEDLN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccsc1C(=O)OC ZINC000266208595 566247218 /nfs/dbraw/zinc/24/72/18/566247218.db2.gz PRNAOIIHKWHWPP-UHFFFAOYSA-N 0 2 379.463 3.029 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cn1 ZINC000481866036 566258339 /nfs/dbraw/zinc/25/83/39/566258339.db2.gz RFNSCFJNZQQFHB-UHFFFAOYSA-N 0 2 395.828 3.065 20 30 GGEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2csc([C@H]3CCCO3)n2)n1 ZINC000535199413 566286636 /nfs/dbraw/zinc/28/66/36/566286636.db2.gz DNQPBVZQHZVKDJ-JOYOIKCWSA-N 0 2 377.447 3.118 20 30 GGEDLN CC(=O)Nc1ccc(Br)cc1NS(=O)(=O)c1ccccc1C#N ZINC000509588060 566317058 /nfs/dbraw/zinc/31/70/58/566317058.db2.gz ULKLACPUZGFYLG-UHFFFAOYSA-N 0 2 394.250 3.080 20 30 GGEDLN C=CCOc1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1 ZINC000509602240 566319663 /nfs/dbraw/zinc/31/96/63/566319663.db2.gz PVVVTWYGDKUWJI-UHFFFAOYSA-N 0 2 375.343 3.286 20 30 GGEDLN Cc1nc(NS(=O)(=O)c2ccc(C#N)o2)sc1Cc1ccc(F)cc1 ZINC000576308177 566333764 /nfs/dbraw/zinc/33/37/64/566333764.db2.gz HKXBTFLKONFPQN-UHFFFAOYSA-N 0 2 377.422 3.447 20 30 GGEDLN N#Cc1cncc(S(=O)(=O)Nc2nc3c(cccc3Br)s2)c1 ZINC000576381841 566339709 /nfs/dbraw/zinc/33/97/09/566339709.db2.gz CXLUXBDHDIIPFJ-UHFFFAOYSA-N 0 2 395.263 3.126 20 30 GGEDLN CCOC(=O)c1sc(NS(=O)(=O)c2cccc(C#N)c2)nc1C(C)C ZINC000535991289 566343535 /nfs/dbraw/zinc/34/35/35/566343535.db2.gz VHMUOOSRKOYXSR-UHFFFAOYSA-N 0 2 379.463 3.116 20 30 GGEDLN N#Cc1ccccc1S(=O)(=O)Nc1cc(Br)cc(Cl)c1O ZINC000536412222 566370900 /nfs/dbraw/zinc/37/09/00/566370900.db2.gz HBBLKDWUYKVBAW-UHFFFAOYSA-N 0 2 387.642 3.481 20 30 GGEDLN COc1cc(OC)c(NS(=O)(=O)c2ccc(C#N)cc2OC)cc1Cl ZINC000463515364 566415849 /nfs/dbraw/zinc/41/58/49/566415849.db2.gz KLDGYWIKFUIQCS-UHFFFAOYSA-N 0 2 382.825 3.038 20 30 GGEDLN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447775182 566428013 /nfs/dbraw/zinc/42/80/13/566428013.db2.gz CDYDUQFXFKFUTO-UHFFFAOYSA-N 0 2 391.268 3.404 20 30 GGEDLN CC[C@H](C#N)S(=O)(=O)Nc1ccc(Cl)cc1SCCC(=O)OC ZINC000601978458 566436567 /nfs/dbraw/zinc/43/65/67/566436567.db2.gz VEZBDAKONKZCCP-LLVKDONJSA-N 0 2 376.887 3.039 20 30 GGEDLN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(Cl)cc1SCCC(=O)OC ZINC000601978459 566436712 /nfs/dbraw/zinc/43/67/12/566436712.db2.gz VEZBDAKONKZCCP-NSHDSACASA-N 0 2 376.887 3.039 20 30 GGEDLN COc1ccc(S(=O)(=O)Nc2cc(C)c(N(C)C)cc2C#N)c(Cl)c1 ZINC000558595559 566490467 /nfs/dbraw/zinc/49/04/67/566490467.db2.gz AFUSPHXEQXSHAN-UHFFFAOYSA-N 0 2 379.869 3.396 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc3cccc(Br)c3n2)cn1 ZINC000538454936 566514342 /nfs/dbraw/zinc/51/43/42/566514342.db2.gz WGMCILJPVFXRLE-UHFFFAOYSA-N 0 2 389.234 3.065 20 30 GGEDLN C[C@@H](C#N)CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000603893901 566543872 /nfs/dbraw/zinc/54/38/72/566543872.db2.gz MANAYXNEZGGTBD-NSHDSACASA-N 0 2 397.909 3.434 20 30 GGEDLN C[C@H](C#N)CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000603893900 566543926 /nfs/dbraw/zinc/54/39/26/566543926.db2.gz MANAYXNEZGGTBD-LLVKDONJSA-N 0 2 397.909 3.434 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2ncc(C3CCOCC3)s2)c(Cl)c1 ZINC000578844602 566559313 /nfs/dbraw/zinc/55/93/13/566559313.db2.gz CDFLOURXCZDKNG-UHFFFAOYSA-N 0 2 383.882 3.363 20 30 GGEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2nc(C(C)C)c(C)s2)c1 ZINC000578883828 566562935 /nfs/dbraw/zinc/56/29/35/566562935.db2.gz GBPGFQQQCKIWHM-UHFFFAOYSA-N 0 2 379.507 3.292 20 30 GGEDLN C[C@H](CC#N)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000604575183 566571937 /nfs/dbraw/zinc/57/19/37/566571937.db2.gz QTECHVHEUVKIIV-SNVBAGLBSA-N 0 2 383.882 3.234 20 30 GGEDLN O=S(=O)(Nc1nc(C(F)(F)F)c[nH]1)c1ccc(F)c(C(F)(F)F)c1 ZINC000559841213 566573098 /nfs/dbraw/zinc/57/30/98/566573098.db2.gz NLOQCGSCPMYCBB-UHFFFAOYSA-N 0 2 377.241 3.387 20 30 GGEDLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)C[C@H](C)C#N)cc1 ZINC000513186239 566586602 /nfs/dbraw/zinc/58/66/02/566586602.db2.gz DWLJZSCMSSTNJF-CYBMUJFWSA-N 0 2 377.491 3.089 20 30 GGEDLN CC1(C)CCc2nc(NS(=O)(=O)c3ccc(C#N)cc3Cl)ncc2C1 ZINC000486577450 566600973 /nfs/dbraw/zinc/60/09/73/566600973.db2.gz VEQGPBYMZGEUQP-UHFFFAOYSA-N 0 2 376.869 3.317 20 30 GGEDLN Cn1nc(-c2ccc(Cl)s2)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000486578824 566601147 /nfs/dbraw/zinc/60/11/47/566601147.db2.gz WPUUUEHVQATFAH-UHFFFAOYSA-N 0 2 378.866 3.474 20 30 GGEDLN N#CCCCOc1cccnc1NC(=O)c1cccc(Br)c1O ZINC000539889563 566612378 /nfs/dbraw/zinc/61/23/78/566612378.db2.gz FIUXEQFEDJGZSE-UHFFFAOYSA-N 0 2 376.210 3.485 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2cc3c(cn2)CCCC3)cc1Br ZINC000580178916 566671370 /nfs/dbraw/zinc/67/13/70/566671370.db2.gz PSTZJBKNRPWXSC-UHFFFAOYSA-N 0 2 392.278 3.395 20 30 GGEDLN N#Cc1ccc(-n2ccc(NS(=O)(=O)c3ccc(F)cc3)n2)c(Cl)c1 ZINC000541123224 566697365 /nfs/dbraw/zinc/69/73/65/566697365.db2.gz FWWCJWYMDXSEGN-UHFFFAOYSA-N 0 2 376.800 3.337 20 30 GGEDLN N#CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccs3)ccc21 ZINC000468379140 566698705 /nfs/dbraw/zinc/69/87/05/566698705.db2.gz JQLMBPHZPRJPMA-UHFFFAOYSA-N 0 2 375.475 3.132 20 30 GGEDLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(CC#N)cc2Cl)n1 ZINC000451016347 566735502 /nfs/dbraw/zinc/73/55/02/566735502.db2.gz RBPLKPFNYLPJRD-UHFFFAOYSA-N 0 2 376.869 3.437 20 30 GGEDLN CC(C)C[C@@H](C#N)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000608825734 566737394 /nfs/dbraw/zinc/73/73/94/566737394.db2.gz RSHSYEWAAAKGTE-HNNXBMFYSA-N 0 2 377.491 3.217 20 30 GGEDLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1CC#N ZINC000451052083 566743865 /nfs/dbraw/zinc/74/38/65/566743865.db2.gz DKPWXLOASKIQKY-UHFFFAOYSA-N 0 2 382.825 3.149 20 30 GGEDLN N#Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000609027259 566746899 /nfs/dbraw/zinc/74/68/99/566746899.db2.gz GHZAOCYBIUNSPB-UHFFFAOYSA-N 0 2 382.195 3.030 20 30 GGEDLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C#N)cc2C)nc1C(C)C ZINC000451093022 566754102 /nfs/dbraw/zinc/75/41/02/566754102.db2.gz DSZAXFASCRVZTG-UHFFFAOYSA-N 0 2 379.463 3.034 20 30 GGEDLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C#N)cc2Cl)nc1C(C)C ZINC000451096211 566755214 /nfs/dbraw/zinc/75/52/14/566755214.db2.gz LKZGZONRGLHIQZ-UHFFFAOYSA-N 0 2 399.881 3.379 20 30 GGEDLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C#N)c(C)c2)nc1C(C)C ZINC000451099458 566756994 /nfs/dbraw/zinc/75/69/94/566756994.db2.gz XLRNRGYSNFXLRF-UHFFFAOYSA-N 0 2 379.463 3.034 20 30 GGEDLN C[C@H](C#N)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000609524413 566768443 /nfs/dbraw/zinc/76/84/43/566768443.db2.gz KMKLITIOMLEITM-SNVBAGLBSA-N 0 2 383.882 3.092 20 30 GGEDLN N#CC1CCN(C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)CC1 ZINC000581347908 566770128 /nfs/dbraw/zinc/77/01/28/566770128.db2.gz CNGXKORATWGZAO-UHFFFAOYSA-N 0 2 392.282 3.157 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)o1 ZINC000516807996 566785480 /nfs/dbraw/zinc/78/54/80/566785480.db2.gz HFUSIMTTXPZJCZ-UHFFFAOYSA-N 0 2 384.801 3.263 20 30 GGEDLN 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GGEDLN CNC(=O)C[C@@H]1S/C(=N/c2cccc(C)c2)N(CCCC(F)(F)F)C1=O ZINC000266549677 1434348858 /nfs/dbraw/zinc/34/88/58/1434348858.db2.gz MTJAFBQHCNHDRE-UAHGDZPKSA-N 0 2 387.427 3.405 20 30 GGEDLN CNC(=O)CC1S/C(=N/c2ccc(Cl)cc2)N(C[C@@H](OC)C(C)C)C1=O ZINC000266596731 1434352721 /nfs/dbraw/zinc/35/27/21/1434352721.db2.gz BQSMWIIFRFVPEL-PDVRKFODSA-N 0 2 397.928 3.079 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N/c2ccc(Cl)cc2)N(C[C@@H](OC)C(C)C)C1=O ZINC000266596731 1434352724 /nfs/dbraw/zinc/35/27/24/1434352724.db2.gz BQSMWIIFRFVPEL-PDVRKFODSA-N 0 2 397.928 3.079 20 30 GGEDLN O=C(C[C@@H]1S/C(=N\c2cccc(Oc3ccccc3)c2)NC1=O)NC1CC1 ZINC000267102323 1434407592 /nfs/dbraw/zinc/40/75/92/1434407592.db2.gz UERQAFMUMFQWBO-KRWDZBQOSA-N 0 2 381.457 3.367 20 30 GGEDLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)o1 ZINC000269930305 1434687765 /nfs/dbraw/zinc/68/77/65/1434687765.db2.gz CVKGIMGWEDJUNE-LLVKDONJSA-N 0 2 394.474 3.427 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N\c2cccc(C)c2)N(CC[C@@H]2CCCCO2)C1=O ZINC000272462932 1434897999 /nfs/dbraw/zinc/89/79/99/1434897999.db2.gz OIARNAHQAMSLPE-HCYZZJFPSA-N 0 2 389.521 3.022 20 30 GGEDLN Cc1cccc(C)c1/N=C1\SC(CC(=O)NC2CC2)C(=O)N1CCCC#N ZINC000272982300 1434946528 /nfs/dbraw/zinc/94/65/28/1434946528.db2.gz DHOWBNPRAGCKRU-LTRAUPRXSA-N 0 2 384.505 3.207 20 30 GGEDLN Cc1cccc(C)c1/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1CCCC#N ZINC000272982300 1434946531 /nfs/dbraw/zinc/94/65/31/1434946531.db2.gz DHOWBNPRAGCKRU-LTRAUPRXSA-N 0 2 384.505 3.207 20 30 GGEDLN C[C@@H](/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1CCCC#N)c1cccs1 ZINC000273086042 1434959297 /nfs/dbraw/zinc/95/92/97/1434959297.db2.gz YVJFABLHTWPGGE-RTPTYXIXSA-N 0 2 390.534 3.082 20 30 GGEDLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(OCCCC#N)c1 ZINC000276072413 1435189413 /nfs/dbraw/zinc/18/94/13/1435189413.db2.gz RBKFJYDLOASUMY-UHFFFAOYSA-N 0 2 394.474 3.327 20 30 GGEDLN CNC(=O)CC1S/C(=N\c2cc(C)ccc2C)N(C2CC(F)(F)C2)C1=O ZINC000277149489 1435269228 /nfs/dbraw/zinc/26/92/28/1435269228.db2.gz DAWBDWLIYFZCMN-CHOFAJOMSA-N 0 2 381.448 3.169 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N\c2cc(C)ccc2C)N(C2CC(F)(F)C2)C1=O ZINC000277149489 1435269234 /nfs/dbraw/zinc/26/92/34/1435269234.db2.gz DAWBDWLIYFZCMN-CHOFAJOMSA-N 0 2 381.448 3.169 20 30 GGEDLN Cc1cccc(/N=C2\SC(CC(=O)NC3CC3)C(=O)N2C2CC(F)(F)C2)c1 ZINC000277274688 1435287951 /nfs/dbraw/zinc/28/79/51/1435287951.db2.gz SOYBFQCRKOTRHI-VKWHMPGMSA-N 0 2 393.459 3.393 20 30 GGEDLN Cc1cccc(/N=C2\S[C@H](CC(=O)NC3CC3)C(=O)N2C2CC(F)(F)C2)c1 ZINC000277274688 1435287957 /nfs/dbraw/zinc/28/79/57/1435287957.db2.gz SOYBFQCRKOTRHI-VKWHMPGMSA-N 0 2 393.459 3.393 20 30 GGEDLN O=C(CC1S/C(=N/c2ccccc2)N(C2CCC2)C1=O)NCC(F)(F)F ZINC000278346910 1435382241 /nfs/dbraw/zinc/38/22/41/1435382241.db2.gz ZCCSFWLYAOXQCY-GHOZOMOVSA-N 0 2 385.411 3.239 20 30 GGEDLN O=C(C[C@H]1S/C(=N/c2ccccc2)N(C2CCC2)C1=O)NCC(F)(F)F ZINC000278346910 1435382242 /nfs/dbraw/zinc/38/22/42/1435382242.db2.gz ZCCSFWLYAOXQCY-GHOZOMOVSA-N 0 2 385.411 3.239 20 30 GGEDLN CNC(=O)CC1S/C(=N\c2ccccc2F)N(CC2(SC)CCC2)C1=O ZINC000278673964 1435412845 /nfs/dbraw/zinc/41/28/45/1435412845.db2.gz LJPANQXPXPWNEV-NNLSSIJJSA-N 0 2 395.525 3.179 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N\c2ccccc2F)N(CC2(SC)CCC2)C1=O ZINC000278673964 1435412848 /nfs/dbraw/zinc/41/28/48/1435412848.db2.gz LJPANQXPXPWNEV-NNLSSIJJSA-N 0 2 395.525 3.179 20 30 GGEDLN CNC(=O)CC1S/C(=N\c2ccc(C)cc2C)N(C[C@@H]2CCSC2)C1=O ZINC000279050262 1435455665 /nfs/dbraw/zinc/45/56/65/1435455665.db2.gz ABYTZGPTDIHNGG-XBOAPZAJSA-N 0 2 391.562 3.124 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N\c2ccc(C)cc2C)N(C[C@@H]2CCSC2)C1=O ZINC000279050262 1435455666 /nfs/dbraw/zinc/45/56/66/1435455666.db2.gz ABYTZGPTDIHNGG-XBOAPZAJSA-N 0 2 391.562 3.124 20 30 GGEDLN CCc1cccc(/N=C2\S[C@H](CC(=O)NC)C(=O)N2C[C@H]2CCSC2)c1 ZINC000279366170 1435491444 /nfs/dbraw/zinc/49/14/44/1435491444.db2.gz GNFAEHLFHLAWFA-KPGMTAFASA-N 0 2 391.562 3.070 20 30 GGEDLN O=C(CC1S/C(=N/c2ccccc2)N(C[C@@H]2CCSC2)C1=O)NC1CC1 ZINC000279366143 1435491570 /nfs/dbraw/zinc/49/15/70/1435491570.db2.gz GNBCXYIOMDVURQ-XDZPDYPGSA-N 0 2 389.546 3.040 20 30 GGEDLN O=C(C[C@H]1S/C(=N/c2ccccc2)N(C[C@@H]2CCSC2)C1=O)NC1CC1 ZINC000279366143 1435491573 /nfs/dbraw/zinc/49/15/73/1435491573.db2.gz GNBCXYIOMDVURQ-XDZPDYPGSA-N 0 2 389.546 3.040 20 30 GGEDLN Cc1cccc(/N=C2\SC(CC(=O)NC3CC3)C(=O)N2[C@@H]2CCSC2)c1 ZINC000279939985 1435566595 /nfs/dbraw/zinc/56/65/95/1435566595.db2.gz MDKJEUHOPGXWET-GAVQXBFOSA-N 0 2 389.546 3.101 20 30 GGEDLN Cc1cccc(/N=C2\S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H]2CCSC2)c1 ZINC000279939985 1435566601 /nfs/dbraw/zinc/56/66/01/1435566601.db2.gz MDKJEUHOPGXWET-GAVQXBFOSA-N 0 2 389.546 3.101 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCC(F)(F)C3)cc2[nH]c1=S ZINC000281710198 1435819140 /nfs/dbraw/zinc/81/91/40/1435819140.db2.gz HSWZVCUJWRHAFZ-LLVKDONJSA-N 0 2 379.432 3.036 20 30 GGEDLN COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821712106 1442024380 /nfs/dbraw/zinc/02/43/80/1442024380.db2.gz CPRWOOBBGALMHH-OAHLLOKOSA-N 0 2 392.463 3.188 20 30 GGEDLN COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821712106 1442024385 /nfs/dbraw/zinc/02/43/85/1442024385.db2.gz CPRWOOBBGALMHH-OAHLLOKOSA-N 0 2 392.463 3.188 20 30 GGEDLN N#Cc1cc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)ccn1 ZINC000826383928 1442252434 /nfs/dbraw/zinc/25/24/34/1442252434.db2.gz XUFWDLFFUGIZQR-UHFFFAOYSA-N 0 2 399.433 3.475 20 30 GGEDLN N#Cc1cc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)ccn1 ZINC000826383928 1442252436 /nfs/dbraw/zinc/25/24/36/1442252436.db2.gz XUFWDLFFUGIZQR-UHFFFAOYSA-N 0 2 399.433 3.475 20 30 GGEDLN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000819745730 1443692289 /nfs/dbraw/zinc/69/22/89/1443692289.db2.gz QLPPBJBMCSJTMG-JXFKEZNVSA-N 0 2 388.475 3.032 20 30 GGEDLN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000819745730 1443692291 /nfs/dbraw/zinc/69/22/91/1443692291.db2.gz QLPPBJBMCSJTMG-JXFKEZNVSA-N 0 2 388.475 3.032 20 30 GGEDLN CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[N@H+](Cc3ccccc3)CC[C@H]2C)o1 ZINC000824962259 947008511 /nfs/dbraw/zinc/00/85/11/947008511.db2.gz RAHBZEIEBVBZJC-CQSZACIVSA-N 0 2 394.483 3.288 20 30 GGEDLN CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[N@@H+](Cc3ccccc3)CC[C@H]2C)o1 ZINC000824962259 947008518 /nfs/dbraw/zinc/00/85/18/947008518.db2.gz RAHBZEIEBVBZJC-CQSZACIVSA-N 0 2 394.483 3.288 20 30 GGEDLN N#Cc1ccc([C@@H]2C[N@H+](Cc3ccc(N4CCC(C(=O)[O-])CC4)o3)CCO2)cc1 ZINC000904263446 956950914 /nfs/dbraw/zinc/95/09/14/956950914.db2.gz YNPMFBZRZWEOJP-FQEVSTJZSA-N 0 2 395.459 3.026 20 30 GGEDLN N#Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(N4CCC(C(=O)[O-])CC4)o3)CCO2)cc1 ZINC000904263446 956950921 /nfs/dbraw/zinc/95/09/21/956950921.db2.gz YNPMFBZRZWEOJP-FQEVSTJZSA-N 0 2 395.459 3.026 20 30 GGEDLN Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC001594404772 958893896 /nfs/dbraw/zinc/89/38/96/958893896.db2.gz HVKDKZSSBGNUMP-FQEVSTJZSA-N 0 2 383.423 3.105 20 30 GGEDLN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](CC(=O)[O-])C2CCC2)c1C#N ZINC001594252581 959621797 /nfs/dbraw/zinc/62/17/97/959621797.db2.gz BOPOHHBWNQKVBM-UHFFFAOYSA-N 0 2 386.496 3.359 20 30 GGEDLN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](CC(=O)[O-])C2CCC2)c1C#N ZINC001594252581 959621809 /nfs/dbraw/zinc/62/18/09/959621809.db2.gz BOPOHHBWNQKVBM-UHFFFAOYSA-N 0 2 386.496 3.359 20 30 GGEDLN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1C#N ZINC001574298545 960712954 /nfs/dbraw/zinc/71/29/54/960712954.db2.gz FYXXRXSSWJDNJD-VLIAUNLRSA-N 0 2 394.475 3.089 20 30 GGEDLN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1C#N ZINC001574298545 960712966 /nfs/dbraw/zinc/71/29/66/960712966.db2.gz FYXXRXSSWJDNJD-VLIAUNLRSA-N 0 2 394.475 3.089 20 30 GGEDLN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1C#N ZINC001574298542 960712987 /nfs/dbraw/zinc/71/29/87/960712987.db2.gz FYXXRXSSWJDNJD-JLTOFOAXSA-N 0 2 394.475 3.089 20 30 GGEDLN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1C#N ZINC001574298542 960712993 /nfs/dbraw/zinc/71/29/93/960712993.db2.gz FYXXRXSSWJDNJD-JLTOFOAXSA-N 0 2 394.475 3.089 20 30 GGEDLN Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])ccc1Cl ZINC001574332540 960893221 /nfs/dbraw/zinc/89/32/21/960893221.db2.gz AIBNVQKORZPHAN-SCLBCKFNSA-N 0 2 377.872 3.080 20 30 GGEDLN Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])ccc1Cl ZINC001574332540 960893239 /nfs/dbraw/zinc/89/32/39/960893239.db2.gz AIBNVQKORZPHAN-SCLBCKFNSA-N 0 2 377.872 3.080 20 30 GGEDLN Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]Nc1ccccc1C(=O)[O-] ZINC000812446185 978869884 /nfs/dbraw/zinc/86/98/84/978869884.db2.gz QZLYMPYHZUNHLX-UHFFFAOYSA-N 0 2 385.383 3.105 20 30 GGEDLN C[C@@](Cc1ccc(Cl)cc1)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(=O)[O-] ZINC001592840411 979606421 /nfs/dbraw/zinc/60/64/21/979606421.db2.gz ZZFWBCIVJHJHQL-FQEVSTJZSA-N 0 2 396.834 3.437 20 30 GGEDLN CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1 ZINC001595360576 980753273 /nfs/dbraw/zinc/75/32/73/980753273.db2.gz ZNFVJFLZKNYXOE-SFHVURJKSA-N 0 2 386.402 3.203 20 30 GGEDLN C=C(C)C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC001588553306 983627751 /nfs/dbraw/zinc/62/77/51/983627751.db2.gz JZBIFSSERCJACH-LLVKDONJSA-N 0 2 393.075 3.426 20 30 GGEDLN C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588567576 983647462 /nfs/dbraw/zinc/64/74/62/983647462.db2.gz NRBQWHRRYKTNFO-QGZVFWFLSA-N 0 2 398.507 3.245 20 30 GGEDLN C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588567576 983647463 /nfs/dbraw/zinc/64/74/63/983647463.db2.gz NRBQWHRRYKTNFO-QGZVFWFLSA-N 0 2 398.507 3.245 20 30 GGEDLN C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588879703 984458290 /nfs/dbraw/zinc/45/82/90/984458290.db2.gz JXWWEDNEZCMZID-MRXNPFEDSA-N 0 2 388.411 3.242 20 30 GGEDLN C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588879703 984458291 /nfs/dbraw/zinc/45/82/91/984458291.db2.gz JXWWEDNEZCMZID-MRXNPFEDSA-N 0 2 388.411 3.242 20 30 GGEDLN C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c1=S ZINC001588889304 984478145 /nfs/dbraw/zinc/47/81/45/984478145.db2.gz PHZCDUFTOPRQJK-SWLSCSKDSA-N 0 2 376.457 3.159 20 30 GGEDLN C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)c1=S ZINC001588889304 984478150 /nfs/dbraw/zinc/47/81/50/984478150.db2.gz PHZCDUFTOPRQJK-SWLSCSKDSA-N 0 2 376.457 3.159 20 30 GGEDLN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1C(=O)[O-] ZINC001589331907 986193558 /nfs/dbraw/zinc/19/35/58/986193558.db2.gz SRKKMAIBAAPVFK-HOCLYGCPSA-N 0 2 375.494 3.206 20 30 GGEDLN C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC001589331907 986193561 /nfs/dbraw/zinc/19/35/61/986193561.db2.gz SRKKMAIBAAPVFK-HOCLYGCPSA-N 0 2 375.494 3.206 20 30 GGEDLN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1C(=O)[O-] ZINC001589331908 986193731 /nfs/dbraw/zinc/19/37/31/986193731.db2.gz SRKKMAIBAAPVFK-ZBFHGGJFSA-N 0 2 375.494 3.206 20 30 GGEDLN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC001589331908 986193743 /nfs/dbraw/zinc/19/37/43/986193743.db2.gz SRKKMAIBAAPVFK-ZBFHGGJFSA-N 0 2 375.494 3.206 20 30 GGEDLN C[C@H](C(=O)[O-])[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC001589486986 987040377 /nfs/dbraw/zinc/04/03/77/987040377.db2.gz WVHOMWIBRMHTAG-GFCCVEGCSA-N 0 2 375.494 3.155 20 30 GGEDLN C[C@H](C(=O)[O-])[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC001589486986 987040389 /nfs/dbraw/zinc/04/03/89/987040389.db2.gz WVHOMWIBRMHTAG-GFCCVEGCSA-N 0 2 375.494 3.155 20 30 GGEDLN CC(C)(C)C[C@@H](NC(=O)C[NH+]1CCC(C#N)(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC001589745617 988041534 /nfs/dbraw/zinc/04/15/34/988041534.db2.gz QQTLOJWGXRKWTI-QGZVFWFLSA-N 0 2 389.471 3.110 20 30 GGEDLN COc1cccc([C@H]([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])c1 ZINC001599686803 991000356 /nfs/dbraw/zinc/00/03/56/991000356.db2.gz MLYINDNDMUXXCK-KRWDZBQOSA-N 0 2 379.334 3.361 20 30 GGEDLN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(C#N)ccc1Br ZINC001598524102 992696785 /nfs/dbraw/zinc/69/67/85/992696785.db2.gz WSLNWSVDLLFJTP-UHFFFAOYSA-N 0 2 389.249 3.416 20 30 GGEDLN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(C#N)ccc1Br ZINC001598524102 992696792 /nfs/dbraw/zinc/69/67/92/992696792.db2.gz WSLNWSVDLLFJTP-UHFFFAOYSA-N 0 2 389.249 3.416 20 30 GGEDLN COc1ccc(C[N@H+](C)Cc2cccc(C(=O)[O-])c2C#N)cc1OC(F)F ZINC001599557932 998127652 /nfs/dbraw/zinc/12/76/52/998127652.db2.gz HMHRHSFGOLQOQX-UHFFFAOYSA-N 0 2 376.359 3.498 20 30 GGEDLN COc1ccc(C[N@@H+](C)Cc2cccc(C(=O)[O-])c2C#N)cc1OC(F)F ZINC001599557932 998127658 /nfs/dbraw/zinc/12/76/58/998127658.db2.gz HMHRHSFGOLQOQX-UHFFFAOYSA-N 0 2 376.359 3.498 20 30 GGEDLN COc1ccc(C[NH+]2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)cc1C#N ZINC001599560725 998187811 /nfs/dbraw/zinc/18/78/11/998187811.db2.gz QZZBNITUNNJJHF-HXUWFJFHSA-N 0 2 399.878 3.164 20 30 GGEDLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1cc(C#N)ccc1F)CC2 ZINC001599463529 998316777 /nfs/dbraw/zinc/31/67/77/998316777.db2.gz HPHNZYNDEQRSJB-SFHVURJKSA-N 0 2 384.407 3.289 20 30 GGEDLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cc(C#N)ccc1F)CC2 ZINC001599463529 998316787 /nfs/dbraw/zinc/31/67/87/998316787.db2.gz HPHNZYNDEQRSJB-SFHVURJKSA-N 0 2 384.407 3.289 20 30 GGEDLN COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)c1C#N ZINC001598996027 998780591 /nfs/dbraw/zinc/78/05/91/998780591.db2.gz NVMVFATVTGSLAN-SFHVURJKSA-N 0 2 381.432 3.109 20 30 GGEDLN COC(=O)c1cccc(C[N@H+]2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)c1C#N ZINC001598996027 998780592 /nfs/dbraw/zinc/78/05/92/998780592.db2.gz NVMVFATVTGSLAN-SFHVURJKSA-N 0 2 381.432 3.109 20 30 GGEDLN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCC[C@@H](CC#N)C3)c2C(=O)[O-])C1 ZINC001594443778 999631788 /nfs/dbraw/zinc/63/17/88/999631788.db2.gz IRYQDWHSOFOERK-OLZOCXBDSA-N 0 2 375.494 3.135 20 30 GGEDLN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCC[C@@H](CC#N)C3)c2C(=O)[O-])C1 ZINC001594443778 999631789 /nfs/dbraw/zinc/63/17/89/999631789.db2.gz IRYQDWHSOFOERK-OLZOCXBDSA-N 0 2 375.494 3.135 20 30 GGEDLN C/N=C1\SC(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N1C ZINC000021850501 210395514 /nfs/dbraw/zinc/39/55/14/210395514.db2.gz SGCMMDDVGOTUHJ-XEVDPLJKSA-N 0 2 379.791 3.247 20 30 GGEDLN C/N=C1\S[C@@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N1C ZINC000021850501 210395522 /nfs/dbraw/zinc/39/55/22/210395522.db2.gz SGCMMDDVGOTUHJ-XEVDPLJKSA-N 0 2 379.791 3.247 20 30 GGEDLN CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000079022874 518913351 /nfs/dbraw/zinc/91/33/51/518913351.db2.gz QIYLDFBRPOJWRG-CQSZACIVSA-N 0 2 377.491 3.217 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(NC(C)=O)c3)cc2[nH]c1=S ZINC000012607398 519161135 /nfs/dbraw/zinc/16/11/35/519161135.db2.gz SGQOIUCJQFUCKE-UHFFFAOYSA-N 0 2 394.456 3.456 20 30 GGEDLN Cc1csc(C(C#N)C(=O)CSc2nnc(Cc3csc(C)n3)o2)n1 ZINC000007836750 526402109 /nfs/dbraw/zinc/40/21/09/526402109.db2.gz QIOZLHBAAPXBRG-NSHDSACASA-N 0 2 391.503 3.159 20 30 GGEDLN Cc1csc([C@@H](C#N)C(=O)CSc2nnc(Cc3csc(C)n3)o2)n1 ZINC000007836750 526402121 /nfs/dbraw/zinc/40/21/21/526402121.db2.gz QIOZLHBAAPXBRG-NSHDSACASA-N 0 2 391.503 3.159 20 30 GGEDLN O=C(CC1S/C(=N\C2CCCC2)NC1=O)Nc1ccccc1Br ZINC000007850530 564241410 /nfs/dbraw/zinc/24/14/10/564241410.db2.gz YRUSONOSHVFKPY-ZDUSSCGKSA-N 0 2 396.310 3.308 20 30 GGEDLN O=C(C[C@@H]1S/C(=N\C2CCCC2)NC1=O)Nc1ccccc1Br ZINC000007850530 564241413 /nfs/dbraw/zinc/24/14/13/564241413.db2.gz YRUSONOSHVFKPY-ZDUSSCGKSA-N 0 2 396.310 3.308 20 30 GGEDLN CC[C@H](C)/N=C1\NC(=O)C(CC(=O)Nc2ccccc2Br)S1 ZINC000007850392 564241576 /nfs/dbraw/zinc/24/15/76/564241576.db2.gz RODCAOJCCMFTBH-JOYOIKCWSA-N 0 2 384.299 3.164 20 30 GGEDLN CC[C@H](C)/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2Br)S1 ZINC000007850392 564241582 /nfs/dbraw/zinc/24/15/82/564241582.db2.gz RODCAOJCCMFTBH-JOYOIKCWSA-N 0 2 384.299 3.164 20 30 GGEDLN CC[C@H](C)/N=C1\NC(=O)C(CC(=O)Nc2ccccc2Br)S1 ZINC000007850386 564241826 /nfs/dbraw/zinc/24/18/26/564241826.db2.gz RODCAOJCCMFTBH-CABZTGNLSA-N 0 2 384.299 3.164 20 30 GGEDLN CC[C@H](C)/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2Br)S1 ZINC000007850386 564241828 /nfs/dbraw/zinc/24/18/28/564241828.db2.gz RODCAOJCCMFTBH-CABZTGNLSA-N 0 2 384.299 3.164 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCS[C@@H](C)[C@H]3C)cc2[nH]c1=S ZINC000118530009 564241959 /nfs/dbraw/zinc/24/19/59/564241959.db2.gz WHHBVJVFDZQFQO-NEPJUHHUSA-N 0 2 375.519 3.211 20 30 GGEDLN CCCC/N=C1\NC(=O)C(CC(=O)Nc2ccccc2Br)S1 ZINC000007883091 564242497 /nfs/dbraw/zinc/24/24/97/564242497.db2.gz RTSLJGUADRVVNH-GFCCVEGCSA-N 0 2 384.299 3.165 20 30 GGEDLN CCCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2Br)S1 ZINC000007883091 564242501 /nfs/dbraw/zinc/24/25/01/564242501.db2.gz RTSLJGUADRVVNH-GFCCVEGCSA-N 0 2 384.299 3.165 20 30 GGEDLN CC[C@@H](C)/N=C1\NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1 ZINC000021131868 564309115 /nfs/dbraw/zinc/30/91/15/564309115.db2.gz CTGCWYLASJUDRR-BXKDBHETSA-N 0 2 384.299 3.164 20 30 GGEDLN CC[C@@H](C)/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1 ZINC000021131868 564309116 /nfs/dbraw/zinc/30/91/16/564309116.db2.gz CTGCWYLASJUDRR-BXKDBHETSA-N 0 2 384.299 3.164 20 30 GGEDLN CC[C@@H](C)/N=C1\NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1 ZINC000021131872 564309158 /nfs/dbraw/zinc/30/91/58/564309158.db2.gz CTGCWYLASJUDRR-SKDRFNHKSA-N 0 2 384.299 3.164 20 30 GGEDLN CC[C@@H](C)/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1 ZINC000021131872 564309161 /nfs/dbraw/zinc/30/91/61/564309161.db2.gz CTGCWYLASJUDRR-SKDRFNHKSA-N 0 2 384.299 3.164 20 30 GGEDLN COc1cc(Cl)c(C)cc1NC(=O)CC1S/C(=N\C(C)(C)C)NC1=O ZINC000022452058 564317303 /nfs/dbraw/zinc/31/73/03/564317303.db2.gz NHUZCBGCCXTQND-ZDUSSCGKSA-N 0 2 383.901 3.372 20 30 GGEDLN COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1S/C(=N\C(C)(C)C)NC1=O ZINC000022452058 564317308 /nfs/dbraw/zinc/31/73/08/564317308.db2.gz NHUZCBGCCXTQND-ZDUSSCGKSA-N 0 2 383.901 3.372 20 30 GGEDLN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000120492059 564322683 /nfs/dbraw/zinc/32/26/83/564322683.db2.gz AEYKGUIKBKKKTD-UHFFFAOYSA-N 0 2 382.195 3.030 20 30 GGEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)cc1C#N ZINC000027610571 564355718 /nfs/dbraw/zinc/35/57/18/564355718.db2.gz SBZJTDOQRHODTL-UHFFFAOYSA-N 0 2 376.825 3.245 20 30 GGEDLN COC(=O)c1csc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000122077193 564399483 /nfs/dbraw/zinc/39/94/83/564399483.db2.gz ZKQIYQWMPJXGFS-UHFFFAOYSA-N 0 2 390.364 3.226 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)c(F)c1 ZINC000125481335 564515603 /nfs/dbraw/zinc/51/56/03/564515603.db2.gz YKPVJMHKTYVDKM-UHFFFAOYSA-N 0 2 376.800 3.337 20 30 GGEDLN Cc1noc(C2CC2)c1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000126890602 564566892 /nfs/dbraw/zinc/56/68/92/564566892.db2.gz IMDJMXGAKHYPPH-UHFFFAOYSA-N 0 2 382.239 3.295 20 30 GGEDLN N#Cc1ccsc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000127972089 564602493 /nfs/dbraw/zinc/60/24/93/564602493.db2.gz ZOMZYMPQKVXZSE-UHFFFAOYSA-N 0 2 390.471 3.129 20 30 GGEDLN COC(=O)c1sccc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055573025 564624522 /nfs/dbraw/zinc/62/45/22/564624522.db2.gz FIYAWFUCUGTYJX-UHFFFAOYSA-N 0 2 390.364 3.226 20 30 GGEDLN Cc1ccc(Br)cc1NS(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130346116 564678026 /nfs/dbraw/zinc/67/80/26/564678026.db2.gz DYHACABAFMDEPN-UHFFFAOYSA-N 0 2 396.222 3.338 20 30 GGEDLN CSc1[nH]c(=O)c(C(=O)NCCc2ccccc2Br)cc1C#N ZINC000061634555 564707788 /nfs/dbraw/zinc/70/77/88/564707788.db2.gz UADINDVMAKQITH-UHFFFAOYSA-N 0 2 392.278 3.116 20 30 GGEDLN Cc1nc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])sc1SCC#N ZINC000066253697 564758938 /nfs/dbraw/zinc/75/89/38/564758938.db2.gz YUPJOSIGURUHID-UHFFFAOYSA-N 0 2 384.464 3.085 20 30 GGEDLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(SCC#N)s2)cc1 ZINC000066253636 564759064 /nfs/dbraw/zinc/75/90/64/564759064.db2.gz SCKCJZDMWWMZPT-UHFFFAOYSA-N 0 2 397.503 3.045 20 30 GGEDLN Cc1nc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)sc1SCC#N ZINC000066253710 564760142 /nfs/dbraw/zinc/76/01/42/564760142.db2.gz XBEOXYWDRHKRQU-UHFFFAOYSA-N 0 2 384.895 3.393 20 30 GGEDLN N#Cc1nc(NC(=O)CCCCOc2ccc(Br)cc2)[nH]c1C#N ZINC000066620479 564771042 /nfs/dbraw/zinc/77/10/42/564771042.db2.gz WFMGOCOYEPAZPB-UHFFFAOYSA-N 0 2 388.225 3.103 20 30 GGEDLN COCCOc1c(Cl)cccc1NS(=O)(=O)c1cccc(C)c1C#N ZINC000137326948 564861258 /nfs/dbraw/zinc/86/12/58/564861258.db2.gz GLYIPZXDFYTSDK-UHFFFAOYSA-N 0 2 380.853 3.346 20 30 GGEDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000093930989 564894834 /nfs/dbraw/zinc/89/48/34/564894834.db2.gz JVJICYRIRFUDTH-UHFFFAOYSA-N 0 2 381.797 3.067 20 30 GGEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1C#N ZINC000097669519 564910405 /nfs/dbraw/zinc/91/04/05/564910405.db2.gz CVSSHPVECMLIDB-ZDUSSCGKSA-N 0 2 375.837 3.288 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N/[C@H](C)c2cccs2)N(Cc2ccco2)C1=O ZINC000102199848 564926853 /nfs/dbraw/zinc/92/68/53/564926853.db2.gz GIRGFAJLDQTDBM-ADEIDGNJSA-N 0 2 377.491 3.038 20 30 GGEDLN CC(C)Oc1ncccc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000153976492 565020188 /nfs/dbraw/zinc/02/01/88/565020188.db2.gz IQJCYJCSUKTAKS-UHFFFAOYSA-N 0 2 396.266 3.304 20 30 GGEDLN N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000154701869 565049830 /nfs/dbraw/zinc/04/98/30/565049830.db2.gz YTULENCKIWTRCF-UHFFFAOYSA-N 0 2 399.255 3.124 20 30 GGEDLN CC1(C)Cc2nc(NS(=O)(=O)c3ccc(C#N)c(F)c3)sc2C(=O)C1 ZINC000291838676 565079809 /nfs/dbraw/zinc/07/98/09/565079809.db2.gz HBBRRWNVQVYZML-UHFFFAOYSA-N 0 2 379.438 3.110 20 30 GGEDLN COCCCCc1cccnc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000292546082 565122662 /nfs/dbraw/zinc/12/26/62/565122662.db2.gz MTUBZVCVAMPSGY-UHFFFAOYSA-N 0 2 379.869 3.377 20 30 GGEDLN CCCc1nnc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000267601530 565124675 /nfs/dbraw/zinc/12/46/75/565124675.db2.gz AUYDTRIOUXAICM-UHFFFAOYSA-N 0 2 376.385 3.182 20 30 GGEDLN C[C@H](/N=C1/S[C@@H](CC(=O)NC2CC2)C(=O)N1CC(F)F)c1cccs1 ZINC000267720320 565128965 /nfs/dbraw/zinc/12/89/65/565128965.db2.gz URRNMKFKACHJGD-HKWVNKCLSA-N 0 2 387.477 3.043 20 30 GGEDLN 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565117469 /nfs/dbraw/zinc/11/74/69/565117469.db2.gz JIMMVAYMAWKSGJ-UHFFFAOYSA-N 0 2 378.523 3.351 20 30 GGEDLN O=C(C[C@@H]1S/C(=N/c2cccc(Cl)c2)N(CC(F)F)C1=O)NC1CC1 ZINC000267580226 565123501 /nfs/dbraw/zinc/12/35/01/565123501.db2.gz BHLGUIXSANYBSE-UGVXJAHZSA-N 0 2 387.839 3.205 20 30 GGEDLN O=C(CC1S/C(=N/c2cccc(Cl)c2)N(CC(F)F)C1=O)NC1CC1 ZINC000267580226 565123505 /nfs/dbraw/zinc/12/35/05/565123505.db2.gz BHLGUIXSANYBSE-UGVXJAHZSA-N 0 2 387.839 3.205 20 30 GGEDLN O=C(C[C@@H]1S/C(=N\c2ccccc2Cl)N(CC(F)F)C1=O)NC1CC1 ZINC000267581914 565123616 /nfs/dbraw/zinc/12/36/16/565123616.db2.gz BPOILGCABLYCTB-SOFNNGJSSA-N 0 2 387.839 3.205 20 30 GGEDLN O=C(CC1S/C(=N\c2ccccc2Cl)N(CC(F)F)C1=O)NC1CC1 ZINC000267581914 565123619 /nfs/dbraw/zinc/12/36/19/565123619.db2.gz BPOILGCABLYCTB-SOFNNGJSSA-N 0 2 387.839 3.205 20 30 GGEDLN C[C@H](/N=C1/S[C@H](CC(=O)NC2CC2)C(=O)N1CC(F)F)c1cccs1 ZINC000267720322 565129008 /nfs/dbraw/zinc/12/90/08/565129008.db2.gz URRNMKFKACHJGD-ZOFICPRRSA-N 0 2 387.477 3.043 20 30 GGEDLN O=C(C[C@H]1S/C(=N/c2ccc(Cl)cc2)N(CC(F)F)C1=O)NC1CC1 ZINC000267766062 565129961 /nfs/dbraw/zinc/12/99/61/565129961.db2.gz ZIKZFKUPWMHNSP-HFPIQRBFSA-N 0 2 387.839 3.205 20 30 GGEDLN O=C(CC1S/C(=N/c2ccc(Cl)cc2)N(CC(F)F)C1=O)NC1CC1 ZINC000267766062 565129964 /nfs/dbraw/zinc/12/99/64/565129964.db2.gz ZIKZFKUPWMHNSP-HFPIQRBFSA-N 0 2 387.839 3.205 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N/c2ccccc2)N(C[C@]2(C)CCCS2)C1=O ZINC000268338884 565148496 /nfs/dbraw/zinc/14/84/96/565148496.db2.gz XUXJQIOBZNYCML-OMWDOIHDSA-N 0 2 377.535 3.040 20 30 GGEDLN CNC(=O)CC1S/C(=N/c2ccccc2)N(C[C@]2(C)CCCS2)C1=O ZINC000268338884 565148501 /nfs/dbraw/zinc/14/85/01/565148501.db2.gz XUXJQIOBZNYCML-OMWDOIHDSA-N 0 2 377.535 3.040 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)c(F)c1 ZINC000158064320 565154347 /nfs/dbraw/zinc/15/43/47/565154347.db2.gz GELOCHFREWKRSW-UHFFFAOYSA-N 0 2 376.800 3.337 20 30 GGEDLN N#C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(Br)c1 ZINC000184895155 565163329 /nfs/dbraw/zinc/16/33/29/565163329.db2.gz HAGZBCZZDFEWCL-ZDUSSCGKSA-N 0 2 376.166 3.058 20 30 GGEDLN COc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C#N)cc1F ZINC000185155174 565181767 /nfs/dbraw/zinc/18/17/67/565181767.db2.gz BSBBDCDOOOBFJE-UHFFFAOYSA-N 0 2 385.214 3.269 20 30 GGEDLN Cc1cc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)nn1CCC#N ZINC000271036295 565235789 /nfs/dbraw/zinc/23/57/89/565235789.db2.gz JHAHJKCURMAYKV-UHFFFAOYSA-N 0 2 376.335 3.064 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2nc(CN3CCCCC3)cs2)c(Cl)c1 ZINC000186570378 565268551 /nfs/dbraw/zinc/26/85/51/565268551.db2.gz ROPJBGRBIBYTCO-UHFFFAOYSA-N 0 2 396.925 3.455 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cn1 ZINC000186623235 565273412 /nfs/dbraw/zinc/27/34/12/565273412.db2.gz PGYYHJAYEHICAA-UHFFFAOYSA-N 0 2 395.828 3.065 20 30 GGEDLN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186978086 565298815 /nfs/dbraw/zinc/29/88/15/565298815.db2.gz BGEWRNZXGCMYPL-UHFFFAOYSA-N 0 2 385.779 3.249 20 30 GGEDLN N#CCCSc1ccccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186988781 565300583 /nfs/dbraw/zinc/30/05/83/565300583.db2.gz UUOVPQPKMXEZGV-UHFFFAOYSA-N 0 2 390.412 3.252 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N\c2ccc(Cl)cc2Cl)N(CCCC#N)C1=O ZINC000273053055 565306156 /nfs/dbraw/zinc/30/61/56/565306156.db2.gz RHLRPHCHIGBQCH-QIAIEURZSA-N 0 2 399.303 3.365 20 30 GGEDLN CNC(=O)CC1S/C(=N\c2ccc(Cl)cc2Cl)N(CCCC#N)C1=O ZINC000273053055 565306158 /nfs/dbraw/zinc/30/61/58/565306158.db2.gz RHLRPHCHIGBQCH-QIAIEURZSA-N 0 2 399.303 3.365 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N/c2ccc(Cl)c(Cl)c2)N(CCCC#N)C1=O ZINC000273070788 565306732 /nfs/dbraw/zinc/30/67/32/565306732.db2.gz VKPOKVMSYPUYAG-IQQDNESTSA-N 0 2 399.303 3.365 20 30 GGEDLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(C#N)cc3Cl)o2)c(C)o1 ZINC000163252843 565341629 /nfs/dbraw/zinc/34/16/29/565341629.db2.gz CLCMVUIIAFPIIJ-UHFFFAOYSA-N 0 2 378.797 3.272 20 30 GGEDLN C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000164761926 565363220 /nfs/dbraw/zinc/36/32/20/565363220.db2.gz WRZCNQIORPFPFO-JTQLQIEISA-N 0 2 382.898 3.370 20 30 GGEDLN O=C(C[C@@H]1S/C(=N/c2ccc(F)c(Cl)c2)N(C2CC2)C1=O)NC1CC1 ZINC000298296820 565408207 /nfs/dbraw/zinc/40/82/07/565408207.db2.gz JINQTYILDUSOIO-HGNXGAGXSA-N 0 2 381.860 3.242 20 30 GGEDLN O=C(CC1S/C(=N/c2ccc(F)c(Cl)c2)N(C2CC2)C1=O)NC1CC1 ZINC000298296820 565408217 /nfs/dbraw/zinc/40/82/17/565408217.db2.gz JINQTYILDUSOIO-HGNXGAGXSA-N 0 2 381.860 3.242 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N/c2ccc(Cl)cc2)N(CCCCC#N)C1=O ZINC000171417044 565430588 /nfs/dbraw/zinc/43/05/88/565430588.db2.gz UZSXAAUCBMQDBM-LQFHHUIYSA-N 0 2 378.885 3.101 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(Cc2ccco2)C1=O ZINC000171408198 565430919 /nfs/dbraw/zinc/43/09/19/565430919.db2.gz GIRGFAJLDQTDBM-FYEHZRRHSA-N 0 2 377.491 3.038 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N\[C@@H](C)c2cccs2)N(C2CC(F)(F)C2)C1=O ZINC000277214416 565483261 /nfs/dbraw/zinc/48/32/61/565483261.db2.gz KVEAQLUXCHMAGW-YVAXDQRLSA-N 0 2 387.477 3.043 20 30 GGEDLN Cc1cc(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)sc1Cl ZINC000190230909 565517325 /nfs/dbraw/zinc/51/73/25/565517325.db2.gz FBUKUWRNXCOWIL-UHFFFAOYSA-N 0 2 393.881 3.150 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(CC2(SC)CC2)C1=O ZINC000278777602 565577446 /nfs/dbraw/zinc/57/74/46/565577446.db2.gz TYWGFEDRMAAGER-GJPJBWTNSA-N 0 2 397.591 3.141 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N\[C@@H](C)c2cccs2)N(CC2(SC)CC2)C1=O ZINC000278777611 565577794 /nfs/dbraw/zinc/57/77/94/565577794.db2.gz TYWGFEDRMAAGER-WCCPVJRLSA-N 0 2 397.591 3.141 20 30 GGEDLN CC(C)CCc1nnc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)o1 ZINC000278860496 565582119 /nfs/dbraw/zinc/58/21/19/565582119.db2.gz MQCLDEJUDBVMSZ-UHFFFAOYSA-N 0 2 399.270 3.093 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N/c2ccc(Cl)c(Cl)c2)N(CC(F)F)C1=O ZINC000174068247 565610766 /nfs/dbraw/zinc/61/07/66/565610766.db2.gz ZUSXKYWUMJCSHN-GODZOQJBSA-N 0 2 396.246 3.326 20 30 GGEDLN CNC(=O)CC1S/C(=N/c2ccc(Cl)c(Cl)c2)N(CC(F)F)C1=O ZINC000174068247 565610773 /nfs/dbraw/zinc/61/07/73/565610773.db2.gz ZUSXKYWUMJCSHN-GODZOQJBSA-N 0 2 396.246 3.326 20 30 GGEDLN N#Cc1ccc(Br)c(CS(=O)(=O)c2nc3ccccc3[nH]2)c1 ZINC000191722278 565625451 /nfs/dbraw/zinc/62/54/51/565625451.db2.gz RBNXJUUSIRCBMK-UHFFFAOYSA-N 0 2 376.235 3.171 20 30 GGEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000329327482 565663040 /nfs/dbraw/zinc/66/30/40/565663040.db2.gz XEASSAQAMVJLTP-KXBFYZLASA-N 0 2 397.276 3.186 20 30 GGEDLN N#Cc1cc(S(=O)(=O)Nc2nnc(C(F)F)s2)ccc1C(F)(F)F ZINC000410327249 565676873 /nfs/dbraw/zinc/67/68/73/565676873.db2.gz IPTFDFOJQZVZRO-UHFFFAOYSA-N 0 2 384.311 3.167 20 30 GGEDLN COc1ccc(Br)c(CS(=O)(=O)Nc2ccccc2C#N)c1 ZINC000410341476 565677931 /nfs/dbraw/zinc/67/79/31/565677931.db2.gz VGRBFMGBZMTNHY-UHFFFAOYSA-N 0 2 381.251 3.271 20 30 GGEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1cccc(Br)c1F ZINC000410371854 565679289 /nfs/dbraw/zinc/67/92/89/565679289.db2.gz FWAQOCBAZSEHBP-UHFFFAOYSA-N 0 2 385.214 3.269 20 30 GGEDLN N#Cc1nc(NC(=O)CCc2cc(Cl)ccc2Br)[nH]c1C#N ZINC000175192020 565683950 /nfs/dbraw/zinc/68/39/50/565683950.db2.gz ZQVSOMCRUOWYPC-UHFFFAOYSA-N 0 2 378.617 3.140 20 30 GGEDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000410410796 565684190 /nfs/dbraw/zinc/68/41/90/565684190.db2.gz YTFVKPBRHGUWBS-UHFFFAOYSA-N 0 2 381.797 3.319 20 30 GGEDLN N#Cc1cc(Br)cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000175917391 565733524 /nfs/dbraw/zinc/73/35/24/565733524.db2.gz IIAJNKWMMKSYSK-UHFFFAOYSA-N 0 2 398.307 3.457 20 30 GGEDLN N#Cc1csc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000176037321 565742539 /nfs/dbraw/zinc/74/25/39/565742539.db2.gz RDRWYXIYSCMOLG-UHFFFAOYSA-N 0 2 390.471 3.129 20 30 GGEDLN N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)cc(Br)c2O)c1 ZINC000176471914 565775904 /nfs/dbraw/zinc/77/59/04/565775904.db2.gz IFIHWVOSBBWMSK-UHFFFAOYSA-N 0 2 387.642 3.481 20 30 GGEDLN CCCCCCCS(=O)(=O)Nc1nc(C(=O)OCC)c(C(C)=O)s1 ZINC000284194518 565845550 /nfs/dbraw/zinc/84/55/50/565845550.db2.gz UXQFUCVAQUBSGI-UHFFFAOYSA-N 0 2 376.500 3.235 20 30 GGEDLN CC(C)(C#N)CCCS(=O)(=O)c1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000195117150 565859404 /nfs/dbraw/zinc/85/94/04/565859404.db2.gz SBYRGUYXEXHWKU-UHFFFAOYSA-N 0 2 382.873 3.141 20 30 GGEDLN CC(C)(C#N)CCCS(=O)(=O)c1n[nH]c(-c2ccccc2Br)n1 ZINC000195110440 565859426 /nfs/dbraw/zinc/85/94/26/565859426.db2.gz LENVPUHLBPSMIQ-UHFFFAOYSA-N 0 2 397.298 3.338 20 30 GGEDLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000195440550 565883855 /nfs/dbraw/zinc/88/38/55/565883855.db2.gz CVOCTELNRJHCAF-UHFFFAOYSA-N 0 2 385.228 3.452 20 30 GGEDLN Cc1noc(C2CC2)c1NS(=O)(=O)c1cccc(Br)c1C#N ZINC000414381131 565919860 /nfs/dbraw/zinc/91/98/60/565919860.db2.gz LCDYVIJUIZHZNB-UHFFFAOYSA-N 0 2 382.239 3.295 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)s1 ZINC000414388397 565921961 /nfs/dbraw/zinc/92/19/61/565921961.db2.gz LTOCQDVNJALJDP-UHFFFAOYSA-N 0 2 387.408 3.298 20 30 GGEDLN C=CCOc1ccc(Br)cc1NS(=O)(=O)CCOC(C)C ZINC000414389040 565922558 /nfs/dbraw/zinc/92/25/58/565922558.db2.gz OLSDCLHQOVSUBJ-UHFFFAOYSA-N 0 2 378.288 3.181 20 30 GGEDLN COc1cc(S(=O)(=O)Nc2c(C#N)cnn2C2CCCC2)ccc1Cl ZINC000414449431 565934460 /nfs/dbraw/zinc/93/44/60/565934460.db2.gz CMERGDLIPMZHJA-UHFFFAOYSA-N 0 2 380.857 3.333 20 30 GGEDLN N#C[C@@H]1N(C(=O)c2cc(F)cc(Br)c2O)CCC[C@]12CCCCO2 ZINC000416216724 566045740 /nfs/dbraw/zinc/04/57/40/566045740.db2.gz BFVSVYNLBQZGBW-WMLDXEAASA-N 0 2 397.244 3.361 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(CCSC(C)C)C1=O ZINC000288133929 566057526 /nfs/dbraw/zinc/05/75/26/566057526.db2.gz MVFRFYNWTXGHSA-PJCYBFAGSA-N 0 2 399.607 3.387 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N\[C@@H](C)c2cccs2)N(CCSC(C)C)C1=O ZINC000288133936 566058780 /nfs/dbraw/zinc/05/87/80/566058780.db2.gz MVFRFYNWTXGHSA-VJCCAIGVSA-N 0 2 399.607 3.387 20 30 GGEDLN N#Cc1cc(NS(=O)(=O)c2cccc(Cl)c2C#N)ncc1Br ZINC000180758754 566086384 /nfs/dbraw/zinc/08/63/84/566086384.db2.gz BYXJEBZTFIUNTB-UHFFFAOYSA-N 0 2 397.641 3.042 20 30 GGEDLN 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XXJYTGDXKWTZRT-ZDUSSCGKSA-N 0 2 378.837 3.180 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N/c2ccc(Cl)cc2)N(CCCSC)C1=O ZINC000265613892 566239832 /nfs/dbraw/zinc/23/98/32/566239832.db2.gz PEQNQVGKLILADG-OOESYIKTSA-N 0 2 385.942 3.161 20 30 GGEDLN N#Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000183393010 566245867 /nfs/dbraw/zinc/24/58/67/566245867.db2.gz LSPDJHJRDYBSLJ-UHFFFAOYSA-N 0 2 375.837 3.287 20 30 GGEDLN COc1cc(S(=O)(=O)Nc2ccc(F)cc2C#N)ccc1Br ZINC000183396596 566245879 /nfs/dbraw/zinc/24/58/79/566245879.db2.gz MTNGWNGILJLLBE-UHFFFAOYSA-N 0 2 385.214 3.269 20 30 GGEDLN COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000481987455 566273415 /nfs/dbraw/zinc/27/34/15/566273415.db2.gz XLZBWBNGUSHDPM-UHFFFAOYSA-N 0 2 384.866 3.477 20 30 GGEDLN Cc1c(C#N)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446996814 566377278 /nfs/dbraw/zinc/37/72/78/566377278.db2.gz OKJGIVQJDZSFKO-UHFFFAOYSA-N 0 2 396.222 3.338 20 30 GGEDLN C[C@@H](C#N)C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000510364031 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Cc1cc(S(=O)(=O)Nc2cc(C#N)ccc2OC(C)C)ccc1[N+](=O)[O-] ZINC000172183279 1425937153 /nfs/dbraw/zinc/93/71/53/1425937153.db2.gz JIGKMYNLFQDXTH-UHFFFAOYSA-N 0 2 375.406 3.363 20 30 GGEDLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3ccc(C#N)cc3C)sc2c1 ZINC000172674918 1426138312 /nfs/dbraw/zinc/13/83/12/1426138312.db2.gz PASUIUPTXSWLDZ-UHFFFAOYSA-N 0 2 386.458 3.236 20 30 GGEDLN C#CCCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC000172941979 1426277193 /nfs/dbraw/zinc/27/71/93/1426277193.db2.gz ORCZDXLOSHPDHY-UHFFFAOYSA-N 0 2 391.496 3.071 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)NCc3ncc(CC)s3)cc2[nH]c1=S ZINC000173045288 1426321439 /nfs/dbraw/zinc/32/14/39/1426321439.db2.gz HAMLDGKNKCEUGF-UHFFFAOYSA-N 0 2 386.502 3.194 20 30 GGEDLN C=C1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000735402508 1426744936 /nfs/dbraw/zinc/74/49/36/1426744936.db2.gz CXASTMYJLACAPS-ZDUSSCGKSA-N 0 2 386.525 3.176 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)NCC(O)(CCC)CCC)cc2[nH]c1=S ZINC000174461305 1427167174 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3.075 20 30 GGEDLN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cnn(C(C)C)c2C)C1=O ZINC000181319416 1430271999 /nfs/dbraw/zinc/27/19/99/1430271999.db2.gz WNILCTGRDJTWAA-LJQANCHMSA-N 0 2 377.489 3.088 20 30 GGEDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1O[C@H](C)C#N ZINC000183128010 1430621903 /nfs/dbraw/zinc/62/19/03/1430621903.db2.gz DAUHZSBSEYWBJA-GFCCVEGCSA-N 0 2 375.406 3.249 20 30 GGEDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000183127990 1430622449 /nfs/dbraw/zinc/62/24/49/1430622449.db2.gz DAUHZSBSEYWBJA-LBPRGKRZSA-N 0 2 375.406 3.249 20 30 GGEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000184812539 1430985465 /nfs/dbraw/zinc/98/54/65/1430985465.db2.gz UQYDHKTZUDGWHY-UHFFFAOYSA-N 0 2 388.836 3.207 20 30 GGEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000185610509 1431183452 /nfs/dbraw/zinc/18/34/52/1431183452.db2.gz XMVIXYGUHJPBDR-UHFFFAOYSA-N 0 2 385.470 3.415 20 30 GGEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000185611563 1431183765 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CNC(=O)CC1S/C(=N/c2ccc(C#N)c(Cl)c2)N(CC=C(C)C)C1=O ZINC000188711782 1431942517 /nfs/dbraw/zinc/94/25/17/1431942517.db2.gz LCDRIWDXIOMJMR-JOJWKMGHSA-N 0 2 390.896 3.245 20 30 GGEDLN CNC(=O)C[C@H]1S/C(=N/c2ccc(C#N)c(Cl)c2)N(CC=C(C)C)C1=O ZINC000188711782 1431942523 /nfs/dbraw/zinc/94/25/23/1431942523.db2.gz LCDRIWDXIOMJMR-JOJWKMGHSA-N 0 2 390.896 3.245 20 30 GGEDLN N#CC(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1cnc2ccccc2n1 ZINC000190904573 1432525803 /nfs/dbraw/zinc/52/58/03/1432525803.db2.gz HRSRKWUGIRQMQE-HNNXBMFYSA-N 0 2 384.355 3.214 20 30 GGEDLN N#CC(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cnc2ccccc2n1 ZINC000190945825 1432535568 /nfs/dbraw/zinc/53/55/68/1432535568.db2.gz ZMTDWDNVNKEZAK-CYBMUJFWSA-N 0 2 384.355 3.214 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(O)cc3CC)cc2[nH]c1=S ZINC000191099160 1432567594 /nfs/dbraw/zinc/56/75/94/1432567594.db2.gz ARKWANMROMFWLM-UHFFFAOYSA-N 0 2 381.457 3.392 20 30 GGEDLN Cc1cn(-c2c(F)cccc2F)nc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000191481047 1432669411 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3.101 20 30 GGEDLN N#CCCN(Cc1cccnc1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000193930342 1433087196 /nfs/dbraw/zinc/08/71/96/1433087196.db2.gz MIRKKVBZWOLKSB-UHFFFAOYSA-N 0 2 381.823 3.182 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCOc4cc(C)ccc43)cc2[nH]c1=S ZINC000194198181 1433136821 /nfs/dbraw/zinc/13/68/21/1433136821.db2.gz WHYKHRDMRVNUBX-UHFFFAOYSA-N 0 2 393.468 3.219 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C)cc2[nH]c1=S ZINC000194198306 1433136919 /nfs/dbraw/zinc/13/69/19/1433136919.db2.gz ZHNYIFIGNKZIRC-AWEZNQCLSA-N 0 2 391.496 3.458 20 30 GGEDLN CCCCCCCS(=O)(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000194788235 1433232490 /nfs/dbraw/zinc/23/24/90/1433232490.db2.gz AXEDYGVWZFEPCU-GJZGRUSLSA-N 0 2 389.587 3.464 20 30 GGEDLN N#Cc1c(Cl)cccc1S(=O)(=O)Nc1nnc(CCc2ccccc2)o1 ZINC000194847873 1433247860 /nfs/dbraw/zinc/24/78/60/1433247860.db2.gz MGSZDVREZIODAI-UHFFFAOYSA-N 0 2 388.836 3.181 20 30 GGEDLN CC(C)(C)c1ccc(/N=C2/NC(=O)[C@H](CC(=O)NCC(F)(F)F)S2)cc1 ZINC000195216821 1433308315 /nfs/dbraw/zinc/30/83/15/1433308315.db2.gz APDUWBQQTUGGKY-LBPRGKRZSA-N 0 2 387.427 3.272 20 30 GGEDLN C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000195444932 1433330429 /nfs/dbraw/zinc/33/04/29/1433330429.db2.gz BQRRBHILTRTWFC-UHFFFAOYSA-N 0 2 386.260 3.105 20 30 GGEDLN N#Cc1ccccc1CSCCNC(=O)C1=NN(c2ccccc2)CC1=O ZINC000216184082 1433362983 /nfs/dbraw/zinc/36/29/83/1433362983.db2.gz HNWSTWQRAHKFHG-UHFFFAOYSA-N 0 2 378.457 3.113 20 30 GGEDLN C[C@H]1Cc2cc(C(=O)C(C#N)c3nc4ccccc4o3)ccc2N1S(C)(=O)=O ZINC000248748535 1433819703 /nfs/dbraw/zinc/81/97/03/1433819703.db2.gz FTLPWWLTSDFVGC-WFASDCNBSA-N 0 2 395.440 3.028 20 30 GGEDLN CNC(=O)C[C@H]1SC(=Nc2cccc(Br)c2)N(CC(C)C)C1=O ZINC000254927424 1433872468 /nfs/dbraw/zinc/87/24/68/1433872468.db2.gz ZUUZZRWJAQDDEE-CYBMUJFWSA-N 0 2 398.326 3.173 20 30 GGEDLN C#Cc1cccc(N=C2SC(CC(=O)NC)C(=O)N2[C@H]2CC23CCCCC3)c1 ZINC000254943191 1433872747 /nfs/dbraw/zinc/87/27/47/1433872747.db2.gz XURDYILFYQYECA-ROUUACIJSA-N 0 2 395.528 3.458 20 30 GGEDLN C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@H]2CC23CCCCC3)c1 ZINC000254943191 1433872748 /nfs/dbraw/zinc/87/27/48/1433872748.db2.gz XURDYILFYQYECA-ROUUACIJSA-N 0 2 395.528 3.458 20 30 GGEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2cccc(C)c2)C1=O ZINC000254961861 1433873072 /nfs/dbraw/zinc/87/30/72/1433873072.db2.gz KRNOTOYQUGTFAZ-GOSISDBHSA-N 0 2 381.501 3.305 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N(Cc2cccc(F)c2)C1=O ZINC000254967216 1433873177 /nfs/dbraw/zinc/87/31/77/1433873177.db2.gz AYUYEWZIWZUBPT-INIZCTEOSA-N 0 2 389.427 3.233 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2cccc(F)c2)C1=O ZINC000254967216 1433873178 /nfs/dbraw/zinc/87/31/78/1433873178.db2.gz AYUYEWZIWZUBPT-INIZCTEOSA-N 0 2 389.427 3.233 20 30 GGEDLN CCc1cccc(N=C2SC(CC(=O)NC)C(=O)N2[C@@H](C)c2cccnc2)c1 ZINC000254987212 1433873728 /nfs/dbraw/zinc/87/37/28/1433873728.db2.gz JYLNWCCVTLHZFF-KSSFIOAISA-N 0 2 396.516 3.473 20 30 GGEDLN CCc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@@H](C)c2cccnc2)c1 ZINC000254987212 1433873729 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C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2cccc(F)c2)c1 ZINC000255056105 1433875191 /nfs/dbraw/zinc/87/51/91/1433875191.db2.gz MVCQDDXKSULCRM-SFHVURJKSA-N 0 2 395.459 3.075 20 30 GGEDLN CNC(=O)CC1SC(=Nc2cccc(C)c2)N([C@@H](C)c2ccccn2)C1=O ZINC000255059560 1433875239 /nfs/dbraw/zinc/87/52/39/1433875239.db2.gz CNYBITFWBGCHDF-YOEHRIQHSA-N 0 2 382.489 3.219 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N([C@@H](C)c2ccccn2)C1=O ZINC000255059560 1433875240 /nfs/dbraw/zinc/87/52/40/1433875240.db2.gz CNYBITFWBGCHDF-YOEHRIQHSA-N 0 2 382.489 3.219 20 30 GGEDLN O=C(CC1SC(=Nc2ccccc2)N(C2CC2)C1=O)NCc1ccccc1 ZINC000255067100 1433875488 /nfs/dbraw/zinc/87/54/88/1433875488.db2.gz WURBVQXCLPMJTR-GOSISDBHSA-N 0 2 379.485 3.487 20 30 GGEDLN O=C(C[C@H]1SC(=Nc2ccccc2)N(C2CC2)C1=O)NCc1ccccc1 ZINC000255067100 1433875490 /nfs/dbraw/zinc/87/54/90/1433875490.db2.gz WURBVQXCLPMJTR-GOSISDBHSA-N 0 2 379.485 3.487 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N(Cc2cccc(C)c2)C1=O ZINC000255085005 1433876008 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1433879149 /nfs/dbraw/zinc/87/91/49/1433879149.db2.gz XOIGTEKXAYCJHY-BLLLJJGKSA-N 0 2 386.452 3.050 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccc(F)cc2F)N(Cc2ccsc2)C1=O ZINC000255291185 1433879380 /nfs/dbraw/zinc/87/93/80/1433879380.db2.gz NBLSCSCIPBYUSB-AWEZNQCLSA-N 0 2 395.456 3.294 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(Cc2ccsc2)C1=O ZINC000255291185 1433879381 /nfs/dbraw/zinc/87/93/81/1433879381.db2.gz NBLSCSCIPBYUSB-AWEZNQCLSA-N 0 2 395.456 3.294 20 30 GGEDLN CNC(=O)CC1SC(=Nc2cccc(Cl)c2C)N(CC(F)(F)F)C1=O ZINC000255310283 1433879928 /nfs/dbraw/zinc/87/99/28/1433879928.db2.gz IMUCULOPRQGJIU-NSHDSACASA-N 0 2 393.818 3.278 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(CC(F)(F)F)C1=O ZINC000255310283 1433879929 /nfs/dbraw/zinc/87/99/29/1433879929.db2.gz IMUCULOPRQGJIU-NSHDSACASA-N 0 2 393.818 3.278 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N(CC2(C3CC3)CC2)C1=O ZINC000255344306 1433880951 /nfs/dbraw/zinc/88/09/51/1433880951.db2.gz KAVVGJZADWXAEF-OAHLLOKOSA-N 0 2 375.469 3.084 20 30 GGEDLN 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GGEDLN CCc1ccc(N=C2SC(CC(=O)NC)C(=O)N2[C@H](C)c2ccccn2)cc1 ZINC000255612919 1433886552 /nfs/dbraw/zinc/88/65/52/1433886552.db2.gz FKTYOPBEMOSMLR-RDTXWAMCSA-N 0 2 396.516 3.473 20 30 GGEDLN CCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@H](C)c2ccccn2)cc1 ZINC000255612919 1433886553 /nfs/dbraw/zinc/88/65/53/1433886553.db2.gz FKTYOPBEMOSMLR-RDTXWAMCSA-N 0 2 396.516 3.473 20 30 GGEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(CC2CCC2)C1=O ZINC000255674433 1433887691 /nfs/dbraw/zinc/88/76/91/1433887691.db2.gz TTYOJHJJQYTMQB-OAHLLOKOSA-N 0 2 390.896 3.079 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccccc2)N([C@@H](C)Cc2cccs2)C1=O ZINC000255674050 1433887769 /nfs/dbraw/zinc/88/77/69/1433887769.db2.gz WIXZRECKRBSYFC-BBRMVZONSA-N 0 2 387.530 3.447 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H](C)Cc2cccs2)C1=O ZINC000255674050 1433887770 /nfs/dbraw/zinc/88/77/70/1433887770.db2.gz WIXZRECKRBSYFC-BBRMVZONSA-N 0 2 387.530 3.447 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N(CC2(C(C)C)CC2)C1=O ZINC000255694747 1433888046 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CNC(=O)CC1SC(=Nc2ccc(C(C)C)cc2)N(CC(F)(F)F)C1=O ZINC000255712161 1433888389 /nfs/dbraw/zinc/88/83/89/1433888389.db2.gz QVPXBTLPOQDCMH-ZDUSSCGKSA-N 0 2 387.427 3.440 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(CC(F)(F)F)C1=O ZINC000255712161 1433888390 /nfs/dbraw/zinc/88/83/90/1433888390.db2.gz QVPXBTLPOQDCMH-ZDUSSCGKSA-N 0 2 387.427 3.440 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccccc2F)C1=O ZINC000255764679 1433889158 /nfs/dbraw/zinc/88/91/58/1433889158.db2.gz AGOZRKVNUKAYQN-KRWDZBQOSA-N 0 2 385.464 3.136 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccccc2C)C1=O ZINC000255776990 1433889563 /nfs/dbraw/zinc/88/95/63/1433889563.db2.gz SZUAIQLFHILXQZ-SFHVURJKSA-N 0 2 381.501 3.305 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccc(Cl)cc2)N(Cc2ccco2)C1=O ZINC000255868645 1433890558 /nfs/dbraw/zinc/89/05/58/1433890558.db2.gz POMNGJYAZUAQKM-CQSZACIVSA-N 0 2 377.853 3.201 20 30 GGEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2ccco2)C1=O ZINC000255868645 1433890559 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YIRCRALZHFSQSS-UHFFFAOYSA-N 0 2 378.484 3.029 20 30 GGEDLN Cn1cc(C[N@H+](CCC#N)CC(C)(C)C)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360793 1441551005 /nfs/dbraw/zinc/55/10/05/1441551005.db2.gz YIRCRALZHFSQSS-UHFFFAOYSA-N 0 2 378.484 3.029 20 30 GGEDLN Cn1cc(C[N@@H+](CCC#N)CC(C)(C)C)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360793 1441551008 /nfs/dbraw/zinc/55/10/08/1441551008.db2.gz YIRCRALZHFSQSS-UHFFFAOYSA-N 0 2 378.484 3.029 20 30 GGEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000873640488 956070424 /nfs/dbraw/zinc/07/04/24/956070424.db2.gz FMUAKTVJBYLZQO-FQEVSTJZSA-N 0 2 378.428 3.350 20 30 GGEDLN N#Cc1ccc([C@@H]2C[N@H+](Cc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)CCO2)cc1 ZINC001594618178 956261355 /nfs/dbraw/zinc/26/13/55/956261355.db2.gz HNICGGKJWQRCGD-ICSRJNTNSA-N 0 2 395.459 3.026 20 30 GGEDLN N#Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)CCO2)cc1 ZINC001594618178 956261365 /nfs/dbraw/zinc/26/13/65/956261365.db2.gz HNICGGKJWQRCGD-ICSRJNTNSA-N 0 2 395.459 3.026 20 30 GGEDLN CC(C)(C)C[N@H+](CC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001573406225 958726790 /nfs/dbraw/zinc/72/67/90/958726790.db2.gz HWFULNMFPZCVNM-UHFFFAOYSA-N 0 2 377.510 3.260 20 30 GGEDLN CC(C)(C)C[N@@H+](CC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001573406225 958726806 /nfs/dbraw/zinc/72/68/06/958726806.db2.gz HWFULNMFPZCVNM-UHFFFAOYSA-N 0 2 377.510 3.260 20 30 GGEDLN COc1cc(C(=O)[O-])ccc1N[NH+]=C(C)c1ccc(N2CCOCC2)c(F)c1 ZINC000756900802 978701136 /nfs/dbraw/zinc/70/11/36/978701136.db2.gz CBRISOUBSJLZFL-UHFFFAOYSA-N 0 2 387.411 3.205 20 30 GGEDLN COc1cc(C(=O)[O-])ccc1N[NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC000756906046 978702161 /nfs/dbraw/zinc/70/21/61/978702161.db2.gz REMUVHBTKTVBOO-UHFFFAOYSA-N 0 2 389.839 3.329 20 30 GGEDLN C=CCCC[C@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)C(=O)[O-] ZINC000910915970 982163567 /nfs/dbraw/zinc/16/35/67/982163567.db2.gz RYBOJJBTHGWFMT-IBGZPJMESA-N 0 2 381.476 3.152 20 30 GGEDLN C=CCCC[C@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)C(=O)[O-] ZINC000910915970 982163572 /nfs/dbraw/zinc/16/35/72/982163572.db2.gz RYBOJJBTHGWFMT-IBGZPJMESA-N 0 2 381.476 3.152 20 30 GGEDLN C=C(C)CNC(S)=C(C([O-])=C1[NH+]=C(C)C(C(=O)[O-])=C1C)[n+]1ccc(C)cc1 ZINC001588570160 983650662 /nfs/dbraw/zinc/65/06/62/983650662.db2.gz UINYRRAGXXABHT-UHFFFAOYSA-O 0 2 386.497 3.149 20 30 GGEDLN C=CC[N@@H+](CCc1ccccc1)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC001588828730 984309396 /nfs/dbraw/zinc/30/93/96/984309396.db2.gz LJKRVVYSEJJGEJ-UHFFFAOYSA-N 0 2 383.473 3.222 20 30 GGEDLN C=CC[N@H+](CCc1ccccc1)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC001588828730 984309403 /nfs/dbraw/zinc/30/94/03/984309403.db2.gz LJKRVVYSEJJGEJ-UHFFFAOYSA-N 0 2 383.473 3.222 20 30 GGEDLN CC(=[NH+]Nc1cc(C(=O)[O-])ccc1Br)c1cc([N+](=O)[O-])ccc1N ZINC001589016596 984996464 /nfs/dbraw/zinc/99/64/64/984996464.db2.gz CDLWCPVWZMRLRE-UHFFFAOYSA-N 0 2 393.197 3.474 20 30 GGEDLN CC(=O)[C@@](C#N)(CC[N@@H+]1CCOc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001589021640 985012417 /nfs/dbraw/zinc/01/24/17/985012417.db2.gz RFRQHTZKQAOHJF-QFIPXVFZSA-N 0 2 378.428 3.020 20 30 GGEDLN CC(=O)[C@@](C#N)(CC[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001589021640 985012426 /nfs/dbraw/zinc/01/24/26/985012426.db2.gz RFRQHTZKQAOHJF-QFIPXVFZSA-N 0 2 378.428 3.020 20 30 GGEDLN CC(=O)[C@](C#N)(CC[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC001589021684 985012820 /nfs/dbraw/zinc/01/28/20/985012820.db2.gz SICWPUDTQZJELY-JOCHJYFZSA-N 0 2 378.428 3.020 20 30 GGEDLN CC(=O)[C@](C#N)(CC[N@H+]1CCOc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC001589021684 985012825 /nfs/dbraw/zinc/01/28/25/985012825.db2.gz SICWPUDTQZJELY-JOCHJYFZSA-N 0 2 378.428 3.020 20 30 GGEDLN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])c1C#N ZINC001599973559 986049993 /nfs/dbraw/zinc/04/99/93/986049993.db2.gz ZJAUFCNFYMFDFB-GOSISDBHSA-N 0 2 386.496 3.359 20 30 GGEDLN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCCC[C@@H]2C(=O)[O-])c1C#N ZINC001599973559 986050006 /nfs/dbraw/zinc/05/00/06/986050006.db2.gz ZJAUFCNFYMFDFB-GOSISDBHSA-N 0 2 386.496 3.359 20 30 GGEDLN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@]2(C)C(=O)[O-])c1C#N ZINC001599973565 986050692 /nfs/dbraw/zinc/05/06/92/986050692.db2.gz ZKNHGQNOPNLERM-NRFANRHFSA-N 0 2 386.496 3.359 20 30 GGEDLN Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c1C#N ZINC001599973565 986050710 /nfs/dbraw/zinc/05/07/10/986050710.db2.gz ZKNHGQNOPNLERM-NRFANRHFSA-N 0 2 386.496 3.359 20 30 GGEDLN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC001589331905 986193454 /nfs/dbraw/zinc/19/34/54/986193454.db2.gz SRKKMAIBAAPVFK-GDBMZVCRSA-N 0 2 375.494 3.206 20 30 GGEDLN C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC001589331905 986193457 /nfs/dbraw/zinc/19/34/57/986193457.db2.gz SRKKMAIBAAPVFK-GDBMZVCRSA-N 0 2 375.494 3.206 20 30 GGEDLN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589448452 986823772 /nfs/dbraw/zinc/82/37/72/986823772.db2.gz KSIDXRHUHQXABC-SJKOYZFVSA-N 0 2 395.484 3.119 20 30 GGEDLN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589448452 986823782 /nfs/dbraw/zinc/82/37/82/986823782.db2.gz KSIDXRHUHQXABC-SJKOYZFVSA-N 0 2 395.484 3.119 20 30 GGEDLN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001590026334 989026248 /nfs/dbraw/zinc/02/62/48/989026248.db2.gz VVURITGUTKEOLA-NRFANRHFSA-N 0 2 385.464 3.232 20 30 GGEDLN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001590026334 989026259 /nfs/dbraw/zinc/02/62/59/989026259.db2.gz VVURITGUTKEOLA-NRFANRHFSA-N 0 2 385.464 3.232 20 30 GGEDLN C[C@]([NH2+]CC(=O)Nc1ccc(C#N)cc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593237990 994417708 /nfs/dbraw/zinc/41/77/08/994417708.db2.gz WBAOUMJBPXXZKE-GOSISDBHSA-N 0 2 392.242 3.393 20 30 GGEDLN COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598854515 996626902 /nfs/dbraw/zinc/62/69/02/996626902.db2.gz ALDZPJVLUNPLFG-UHFFFAOYSA-N 0 2 388.370 3.100 20 30 GGEDLN COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598854515 996626905 /nfs/dbraw/zinc/62/69/05/996626905.db2.gz ALDZPJVLUNPLFG-UHFFFAOYSA-N 0 2 388.370 3.100 20 30 GGEDLN COCC[N@H+](CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21)Cc1ccc(C#N)cc1 ZINC001599234513 997922722 /nfs/dbraw/zinc/92/27/22/997922722.db2.gz JKQMNOSJZRLZSM-UHFFFAOYSA-N 0 2 391.427 3.069 20 30 GGEDLN COCC[N@@H+](CC(=O)c1c[nH]c2ccc(C(=O)[O-])cc21)Cc1ccc(C#N)cc1 ZINC001599234513 997922731 /nfs/dbraw/zinc/92/27/31/997922731.db2.gz JKQMNOSJZRLZSM-UHFFFAOYSA-N 0 2 391.427 3.069 20 30 GGEDLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1cccc(C#N)c1F)CC2 ZINC001599465494 998352492 /nfs/dbraw/zinc/35/24/92/998352492.db2.gz JWJHSODNAWVWDQ-KRWDZBQOSA-N 0 2 384.407 3.289 20 30 GGEDLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cccc(C#N)c1F)CC2 ZINC001599465494 998352502 /nfs/dbraw/zinc/35/25/02/998352502.db2.gz JWJHSODNAWVWDQ-KRWDZBQOSA-N 0 2 384.407 3.289 20 30 GGEDLN COC(=O)c1cccc(C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1C#N ZINC001598995231 998773067 /nfs/dbraw/zinc/77/30/67/998773067.db2.gz HTKYIRPQDNALJC-UHFFFAOYSA-N 0 2 388.370 3.100 20 30 GGEDLN COC(=O)c1cccc(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1C#N ZINC001598995231 998773069 /nfs/dbraw/zinc/77/30/69/998773069.db2.gz HTKYIRPQDNALJC-UHFFFAOYSA-N 0 2 388.370 3.100 20 30 GGEDLN COC(=O)c1cccc(C[N@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1C#N ZINC001598995776 998778727 /nfs/dbraw/zinc/77/87/27/998778727.db2.gz MDMVGVHCXHEFLI-QGZVFWFLSA-N 0 2 392.333 3.020 20 30 GGEDLN COC(=O)c1cccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1C#N ZINC001598995776 998778732 /nfs/dbraw/zinc/77/87/32/998778732.db2.gz MDMVGVHCXHEFLI-QGZVFWFLSA-N 0 2 392.333 3.020 20 30 GGEDLN COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)c1C#N ZINC001598996025 998780132 /nfs/dbraw/zinc/78/01/32/998780132.db2.gz NVMVFATVTGSLAN-GOSISDBHSA-N 0 2 381.432 3.109 20 30 GGEDLN COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)c1C#N ZINC001598996025 998780137 /nfs/dbraw/zinc/78/01/37/998780137.db2.gz NVMVFATVTGSLAN-GOSISDBHSA-N 0 2 381.432 3.109 20 30 GGEDLN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC001598998124 998799245 /nfs/dbraw/zinc/79/92/45/998799245.db2.gz XIZBINWGKODZIP-FQEVSTJZSA-N 0 2 376.412 3.260 20 30 GGEDLN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC001598998124 998799248 /nfs/dbraw/zinc/79/92/48/998799248.db2.gz XIZBINWGKODZIP-FQEVSTJZSA-N 0 2 376.412 3.260 20 30 GGEDLN CC1CCN(Cc2csc(NS(=O)(=O)c3cccc(C#N)c3)n2)CC1 ZINC000069901580 531912643 /nfs/dbraw/zinc/91/26/43/531912643.db2.gz CNKMWFHXIHNUKD-UHFFFAOYSA-N 0 2 376.507 3.047 20 30 GGEDLN CC1CCN(Cc2csc(NS(=O)(=O)c3ccc(C#N)cc3)n2)CC1 ZINC000069901583 531912995 /nfs/dbraw/zinc/91/29/95/531912995.db2.gz HLPULFNXQQTBFN-UHFFFAOYSA-N 0 2 376.507 3.047 20 30 GGEDLN Cc1csc(C(C#N)C(=O)CSc2nnc(Cc3csc(C)n3)o2)n1 ZINC000007836752 526427765 /nfs/dbraw/zinc/42/77/65/526427765.db2.gz QIOZLHBAAPXBRG-LLVKDONJSA-N 0 2 391.503 3.159 20 30 GGEDLN Cc1csc([C@H](C#N)C(=O)CSc2nnc(Cc3csc(C)n3)o2)n1 ZINC000007836752 526427769 /nfs/dbraw/zinc/42/77/69/526427769.db2.gz QIOZLHBAAPXBRG-LLVKDONJSA-N 0 2 391.503 3.159 20 30 GGEDLN COc1ccc(NC(=O)CC2S/C(=N\C3CCCC3)NC2=O)cc1Cl ZINC000003539508 564198210 /nfs/dbraw/zinc/19/82/10/564198210.db2.gz JPFWVJXWKBGLOV-AWEZNQCLSA-N 0 2 381.885 3.207 20 30 GGEDLN COc1ccc(NC(=O)C[C@@H]2S/C(=N\C3CCCC3)NC2=O)cc1Cl ZINC000003539508 564198217 /nfs/dbraw/zinc/19/82/17/564198217.db2.gz JPFWVJXWKBGLOV-AWEZNQCLSA-N 0 2 381.885 3.207 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cn2)cc1Cl ZINC000116601625 564213496 /nfs/dbraw/zinc/21/34/96/564213496.db2.gz DNACDVHMWCFLAQ-UHFFFAOYSA-N 0 2 376.869 3.398 20 30 GGEDLN C=CC/N=C1/NC(=O)C(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1 ZINC000006503237 564224454 /nfs/dbraw/zinc/22/44/54/564224454.db2.gz DHIJBORMEBPAQL-LLVKDONJSA-N 0 2 391.802 3.461 20 30 GGEDLN C=CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1 ZINC000006503237 564224458 /nfs/dbraw/zinc/22/44/58/564224458.db2.gz DHIJBORMEBPAQL-LLVKDONJSA-N 0 2 391.802 3.461 20 30 GGEDLN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1ccc(F)cc1C(F)(F)F ZINC000118301090 564238562 /nfs/dbraw/zinc/23/85/62/564238562.db2.gz RUSPDRZTTGRKRW-UHFFFAOYSA-N 0 2 391.268 3.404 20 30 GGEDLN CC[C@@H](C)/N=C1\NC(=O)C(CC(=O)Nc2ccccc2Br)S1 ZINC000007850382 564241733 /nfs/dbraw/zinc/24/17/33/564241733.db2.gz RODCAOJCCMFTBH-SKDRFNHKSA-N 0 2 384.299 3.164 20 30 GGEDLN CC[C@@H](C)/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2Br)S1 ZINC000007850382 564241737 /nfs/dbraw/zinc/24/17/37/564241737.db2.gz RODCAOJCCMFTBH-SKDRFNHKSA-N 0 2 384.299 3.164 20 30 GGEDLN O=C(CC1S/C(=N\C2CCCC2)NC1=O)Nc1ccc(Br)cc1 ZINC000007850501 564242102 /nfs/dbraw/zinc/24/21/02/564242102.db2.gz GDDBHWKNHZRINO-ZDUSSCGKSA-N 0 2 396.310 3.308 20 30 GGEDLN O=C(C[C@@H]1S/C(=N\C2CCCC2)NC1=O)Nc1ccc(Br)cc1 ZINC000007850501 564242108 /nfs/dbraw/zinc/24/21/08/564242108.db2.gz GDDBHWKNHZRINO-ZDUSSCGKSA-N 0 2 396.310 3.308 20 30 GGEDLN CC(C)(C)/N=C1\NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1 ZINC000007883296 564242770 /nfs/dbraw/zinc/24/27/70/564242770.db2.gz XDHOMWCQBXOIFS-NSHDSACASA-N 0 2 384.299 3.164 20 30 GGEDLN CC(C)(C)/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1 ZINC000007883296 564242778 /nfs/dbraw/zinc/24/27/78/564242778.db2.gz XDHOMWCQBXOIFS-NSHDSACASA-N 0 2 384.299 3.164 20 30 GGEDLN CC(C)CC/N=C1\NC(=O)C(CC(=O)Nc2ccccc2Br)S1 ZINC000007883047 564243043 /nfs/dbraw/zinc/24/30/43/564243043.db2.gz BUAYRLLTEVYVQP-CYBMUJFWSA-N 0 2 398.326 3.411 20 30 GGEDLN CC(C)CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2Br)S1 ZINC000007883047 564243047 /nfs/dbraw/zinc/24/30/47/564243047.db2.gz BUAYRLLTEVYVQP-CYBMUJFWSA-N 0 2 398.326 3.411 20 30 GGEDLN CC(C)(C)/N=C1\NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1 ZINC000007883297 564243134 /nfs/dbraw/zinc/24/31/34/564243134.db2.gz XDHOMWCQBXOIFS-LLVKDONJSA-N 0 2 384.299 3.164 20 30 GGEDLN CC(C)(C)/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1 ZINC000007883297 564243136 /nfs/dbraw/zinc/24/31/36/564243136.db2.gz XDHOMWCQBXOIFS-LLVKDONJSA-N 0 2 384.299 3.164 20 30 GGEDLN Cc1csc(C(C#N)C(=O)CSc2nnc(-c3cccs3)n2C)n1 ZINC000010710485 564260286 /nfs/dbraw/zinc/26/02/86/564260286.db2.gz CMPACMGSFCNRJD-SNVBAGLBSA-N 0 2 375.504 3.277 20 30 GGEDLN Cc1csc([C@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2C)n1 ZINC000010710485 564260291 /nfs/dbraw/zinc/26/02/91/564260291.db2.gz CMPACMGSFCNRJD-SNVBAGLBSA-N 0 2 375.504 3.277 20 30 GGEDLN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000119244985 564262043 /nfs/dbraw/zinc/26/20/43/564262043.db2.gz NOTQNZHWJHGTKZ-UHFFFAOYSA-N 0 2 380.451 3.459 20 30 GGEDLN Cc1csc(C(C#N)C(=O)CSc2nnc(NCc3ccco3)s2)n1 ZINC000014303573 564281624 /nfs/dbraw/zinc/28/16/24/564281624.db2.gz AZCWHVNYERHWNP-LLVKDONJSA-N 0 2 391.503 3.477 20 30 GGEDLN Cc1csc([C@H](C#N)C(=O)CSc2nnc(NCc3ccco3)s2)n1 ZINC000014303573 564281632 /nfs/dbraw/zinc/28/16/32/564281632.db2.gz AZCWHVNYERHWNP-LLVKDONJSA-N 0 2 391.503 3.477 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)c(F)c1 ZINC000119713870 564284758 /nfs/dbraw/zinc/28/47/58/564284758.db2.gz KRQUJUJKCUBAAB-GQCTYLIASA-N 0 2 376.394 3.113 20 30 GGEDLN CC[C@H](C)/N=C1\NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1 ZINC000021131874 564308611 /nfs/dbraw/zinc/30/86/11/564308611.db2.gz CTGCWYLASJUDRR-CABZTGNLSA-N 0 2 384.299 3.164 20 30 GGEDLN CC[C@H](C)/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1 ZINC000021131874 564308620 /nfs/dbraw/zinc/30/86/20/564308620.db2.gz CTGCWYLASJUDRR-CABZTGNLSA-N 0 2 384.299 3.164 20 30 GGEDLN CC(C)(C)/N=C1\NC(=O)C(CC(=O)Nc2ccccc2Br)S1 ZINC000022452022 564317220 /nfs/dbraw/zinc/31/72/20/564317220.db2.gz OQQJGOWSHYYVEN-LLVKDONJSA-N 0 2 384.299 3.164 20 30 GGEDLN CC(C)(C)/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2Br)S1 ZINC000022452022 564317229 /nfs/dbraw/zinc/31/72/29/564317229.db2.gz OQQJGOWSHYYVEN-LLVKDONJSA-N 0 2 384.299 3.164 20 30 GGEDLN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120570109 564327043 /nfs/dbraw/zinc/32/70/43/564327043.db2.gz ZZGMVTIAPKTRNP-UHFFFAOYSA-N 0 2 381.797 3.238 20 30 GGEDLN Cc1cc(Br)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120602973 564327570 /nfs/dbraw/zinc/32/75/70/564327570.db2.gz DFNOGPCAPXCDII-UHFFFAOYSA-N 0 2 396.222 3.338 20 30 GGEDLN CSc1[nH]c(=O)c(C(=O)N(C)Cc2ccc(Br)s2)cc1C#N ZINC000027607379 564355676 /nfs/dbraw/zinc/35/56/76/564355676.db2.gz UTPRTZUMWHTUHZ-UHFFFAOYSA-N 0 2 398.307 3.477 20 30 GGEDLN CSc1[nH]c(=O)c(C(=O)N(C)CCOc2ccccc2Cl)cc1C#N ZINC000027608279 564355708 /nfs/dbraw/zinc/35/57/08/564355708.db2.gz WCIMWQSXMUCZGD-UHFFFAOYSA-N 0 2 377.853 3.185 20 30 GGEDLN CSc1[nH]c(=O)c(C(=O)NCCCSc2ccc(F)cc2)cc1C#N ZINC000031915676 564394233 /nfs/dbraw/zinc/39/42/33/564394233.db2.gz ASKRVCZKIYZATB-UHFFFAOYSA-N 0 2 377.466 3.432 20 30 GGEDLN C=CCC(CC=C)C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000125901956 564529823 /nfs/dbraw/zinc/52/98/23/564529823.db2.gz MLRXSCYFHOLYHP-UHFFFAOYSA-N 0 2 378.479 3.046 20 30 GGEDLN N#Cc1nc(NC(=O)c2cc(C(F)(F)F)ccc2Br)[nH]c1C#N ZINC000126099003 564536933 /nfs/dbraw/zinc/53/69/33/564536933.db2.gz WTVZNOMQKKGJAC-UHFFFAOYSA-N 0 2 384.115 3.187 20 30 GGEDLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)sc1SCC#N ZINC000126151082 564539073 /nfs/dbraw/zinc/53/90/73/564539073.db2.gz QGOJJSKTCLFBJN-UHFFFAOYSA-N 0 2 394.547 3.250 20 30 GGEDLN N#Cc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1Cl ZINC000055578633 564624208 /nfs/dbraw/zinc/62/42/08/564624208.db2.gz RHWNXUJLSUIQKM-UHFFFAOYSA-N 0 2 379.800 3.036 20 30 GGEDLN N#Cc1cccc(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c1 ZINC000129683773 564657105 /nfs/dbraw/zinc/65/71/05/564657105.db2.gz AKUIGGYHMKLDCD-UHFFFAOYSA-N 0 2 394.243 3.247 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)cc1 ZINC000129686955 564657541 /nfs/dbraw/zinc/65/75/41/564657541.db2.gz QFPTUKSDCAMFNJ-UHFFFAOYSA-N 0 2 394.243 3.247 20 30 GGEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000057125676 564660422 /nfs/dbraw/zinc/66/04/22/564660422.db2.gz GUHXTARZQPOAOK-UHFFFAOYSA-N 0 2 381.797 3.319 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])c1 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COC(=O)c1c(F)cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1F ZINC000509393197 566298266 /nfs/dbraw/zinc/29/82/66/566298266.db2.gz XCYVZSMIHBGFGQ-UHFFFAOYSA-N 0 2 386.763 3.077 20 30 GGEDLN COC(=O)c1sc(NS(=O)(=O)c2cccc(Cl)c2C#N)nc1C1CC1 ZINC000536180943 566356519 /nfs/dbraw/zinc/35/65/19/566356519.db2.gz KIMJLFZYEHZETR-UHFFFAOYSA-N 0 2 397.865 3.133 20 30 GGEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(Cl)cc3c2OCC3)n1 ZINC000463072196 566381815 /nfs/dbraw/zinc/38/18/15/566381815.db2.gz COGPUECDTSWZGC-LBPRGKRZSA-N 0 2 376.821 3.398 20 30 GGEDLN CO[C@H]1CCOc2c(NS(=O)(=O)c3cc(C#N)ccc3Cl)cccc21 ZINC000447780944 566429054 /nfs/dbraw/zinc/42/90/54/566429054.db2.gz AUWBWKRADVSXSC-HNNXBMFYSA-N 0 2 378.837 3.482 20 30 GGEDLN C=CCCO[C@@H](C)C(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000484582787 566436964 /nfs/dbraw/zinc/43/69/64/566436964.db2.gz JPUBDODCYKIZSO-JTQLQIEISA-N 0 2 382.283 3.309 20 30 GGEDLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000537753566 566467971 /nfs/dbraw/zinc/46/79/71/566467971.db2.gz UKWQMZHWUBESRE-UHFFFAOYSA-N 0 2 380.298 3.347 20 30 GGEDLN Cc1nc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)ccc1C#N ZINC000603565993 566533744 /nfs/dbraw/zinc/53/37/44/566533744.db2.gz APEOHAOQWIVGRS-UHFFFAOYSA-N 0 2 383.209 3.062 20 30 GGEDLN N#CCc1ccnc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000559413929 566549560 /nfs/dbraw/zinc/54/95/60/566549560.db2.gz YGWDYAROXSJZFP-UHFFFAOYSA-N 0 2 386.658 3.364 20 30 GGEDLN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)s1 ZINC000604205440 566557706 /nfs/dbraw/zinc/55/77/06/566557706.db2.gz UREOMQVRTUBNNS-SECBINFHSA-N 0 2 383.882 3.271 20 30 GGEDLN C[C@@H](CC#N)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000604575182 566572586 /nfs/dbraw/zinc/57/25/86/566572586.db2.gz QTECHVHEUVKIIV-JTQLQIEISA-N 0 2 383.882 3.234 20 30 GGEDLN N#Cc1cc(NS(=O)(=O)c2ccc(C(F)F)cc2)ncc1Br ZINC000579157324 566585026 /nfs/dbraw/zinc/58/50/26/566585026.db2.gz OZXMCMCQGXTJJZ-UHFFFAOYSA-N 0 2 388.193 3.454 20 30 GGEDLN N#Cc1cc(F)c(S(=O)(=O)NCc2ccccc2C(F)(F)F)c(F)c1 ZINC000467137274 566628722 /nfs/dbraw/zinc/62/87/22/566628722.db2.gz KWBCGXJTOMFYBK-UHFFFAOYSA-N 0 2 376.306 3.334 20 30 GGEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(Br)oc2C)n1 ZINC000425296448 566629700 /nfs/dbraw/zinc/62/97/00/566629700.db2.gz GXCRPBDQWLGYOF-VIFPVBQESA-N 0 2 383.223 3.474 20 30 GGEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(Br)oc2C)n1 ZINC000425296448 566629705 /nfs/dbraw/zinc/62/97/05/566629705.db2.gz GXCRPBDQWLGYOF-VIFPVBQESA-N 0 2 383.223 3.474 20 30 GGEDLN C=CCn1c(=[NH2+])[n-]nc1SC[C@@H](COC)c1ccc(Br)cc1 ZINC000450796158 566707489 /nfs/dbraw/zinc/70/74/89/566707489.db2.gz VOWFGAMARIUOEV-GFCCVEGCSA-N 0 2 383.315 3.161 20 30 GGEDLN C[C@@H](Sc1ccc(Br)cc1)C(=O)N=c1[nH][nH]c(C2CC2)c1C#N ZINC000561623727 566724475 /nfs/dbraw/zinc/72/44/75/566724475.db2.gz PIPPCEKRCUICKI-SECBINFHSA-N 0 2 391.294 3.462 20 30 GGEDLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451001226 566732851 /nfs/dbraw/zinc/73/28/51/566732851.db2.gz PMZVWABQJVWWOF-UHFFFAOYSA-N 0 2 392.790 3.268 20 30 GGEDLN CC[C@H](C#N)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000608816944 566737348 /nfs/dbraw/zinc/73/73/48/566737348.db2.gz GKMAQXXNMPKTPZ-LLVKDONJSA-N 0 2 383.882 3.234 20 30 GGEDLN COc1cc(CCNC(=O)c2cc(C#N)c(SC)[nH]c2=O)ccc1Cl ZINC000516108975 566745529 /nfs/dbraw/zinc/74/55/29/566745529.db2.gz UXTHSNALIUNONR-UHFFFAOYSA-N 0 2 377.853 3.015 20 30 GGEDLN N#Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000609027003 566747008 /nfs/dbraw/zinc/74/70/08/566747008.db2.gz ATZGKCAMIAFRON-UHFFFAOYSA-N 0 2 382.195 3.030 20 30 GGEDLN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000541795675 566749701 /nfs/dbraw/zinc/74/97/01/566749701.db2.gz VZZHTSCEZCNMRF-UHFFFAOYSA-N 0 2 388.188 3.280 20 30 GGEDLN Cc1nc(NS(=O)(=O)c2ccc(C#N)o2)sc1Cc1cccc(F)c1 ZINC000581154589 566753592 /nfs/dbraw/zinc/75/35/92/566753592.db2.gz IRXGEFKCWWQFPF-UHFFFAOYSA-N 0 2 377.422 3.447 20 30 GGEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(Cl)cnc1OC(C)C ZINC000451095371 566755470 /nfs/dbraw/zinc/75/54/70/566755470.db2.gz KTKIDCCLCQUWLV-UHFFFAOYSA-N 0 2 381.841 3.203 20 30 GGEDLN C[C@@H](C#N)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000609524408 566768232 /nfs/dbraw/zinc/76/82/32/566768232.db2.gz KMKLITIOMLEITM-JTQLQIEISA-N 0 2 383.882 3.092 20 30 GGEDLN CC(C)[C@H](C#N)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000609522860 566768539 /nfs/dbraw/zinc/76/85/39/566768539.db2.gz XZWISKFEBVZGRU-ZDUSSCGKSA-N 0 2 397.909 3.480 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2noc(-c3ccc(Cl)cc3)n2)cc1Cl ZINC000562264426 566774630 /nfs/dbraw/zinc/77/46/30/566774630.db2.gz WUFYAQHMGCEGSQ-UHFFFAOYSA-N 0 2 395.227 3.138 20 30 GGEDLN C=CCCCS(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000427756419 566794095 /nfs/dbraw/zinc/79/40/95/566794095.db2.gz WMYSHQIKUIDOCO-UHFFFAOYSA-N 0 2 377.491 3.403 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)cc1F ZINC000427759263 566794194 /nfs/dbraw/zinc/79/41/94/566794194.db2.gz KVQIKLUGIUQBPL-UHFFFAOYSA-N 0 2 380.470 3.472 20 30 GGEDLN COCc1cccc2sc(NS(=O)(=O)c3ccc(C#N)c(F)c3)nc21 ZINC000427778840 566797880 /nfs/dbraw/zinc/79/78/80/566797880.db2.gz GNSCHOUEXVNGMP-UHFFFAOYSA-N 0 2 377.422 3.254 20 30 GGEDLN N#C[C@@H]1N(C(=O)c2cc(Br)c(F)cc2O)CCC[C@]12CCCCO2 ZINC000451525476 566831428 /nfs/dbraw/zinc/83/14/28/566831428.db2.gz MOJDVWJICJWKOT-DOTOQJQBSA-N 0 2 397.244 3.361 20 30 GGEDLN N#Cc1cnc(NS(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000610725297 566855963 /nfs/dbraw/zinc/85/59/63/566855963.db2.gz STLWRJSGCTXUOL-UHFFFAOYSA-N 0 2 382.879 3.014 20 30 GGEDLN N#CCc1ccc(S(=O)(=O)Nc2cnccc2N2CCCC2)c(Cl)c1 ZINC000563134893 566858696 /nfs/dbraw/zinc/85/86/96/566858696.db2.gz IOIRLMKAXZHDJW-UHFFFAOYSA-N 0 2 376.869 3.202 20 30 GGEDLN Cc1cc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)ns2)ccc1C#N ZINC000563340559 566876331 /nfs/dbraw/zinc/87/63/31/566876331.db2.gz TWQZTXZMKWSOMX-UHFFFAOYSA-N 0 2 390.877 3.261 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(/C=C\c3ccco3)s2)c(F)c1 ZINC000611198331 566898114 /nfs/dbraw/zinc/89/81/14/566898114.db2.gz KRQUJUJKCUBAAB-XQRVVYSFSA-N 0 2 376.394 3.113 20 30 GGEDLN N#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1Br ZINC000611534956 566925548 /nfs/dbraw/zinc/92/55/48/566925548.db2.gz CSURKNGFFILCER-ZDUSSCGKSA-N 0 2 376.166 3.058 20 30 GGEDLN N#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1Br ZINC000611534955 566925740 /nfs/dbraw/zinc/92/57/40/566925740.db2.gz CSURKNGFFILCER-CYBMUJFWSA-N 0 2 376.166 3.058 20 30 GGEDLN CSc1cccc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)n1 ZINC000564142739 566949931 /nfs/dbraw/zinc/94/99/31/566949931.db2.gz CMNZKMGHOXXPPL-UHFFFAOYSA-N 0 2 384.280 3.238 20 30 GGEDLN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(Br)ccc3C#N)ccc2O1 ZINC000471909767 566984966 /nfs/dbraw/zinc/98/49/66/566984966.db2.gz WPZLGLWAQQMPKG-JTQLQIEISA-N 0 2 393.262 3.445 20 30 GGEDLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(Br)ccc3C#N)ccc2O1 ZINC000471909771 566985516 /nfs/dbraw/zinc/98/55/16/566985516.db2.gz WPZLGLWAQQMPKG-SNVBAGLBSA-N 0 2 393.262 3.445 20 30 GGEDLN CC(C)CCn1nccc1NS(=O)(=O)c1cccc(Br)c1C#N ZINC000564575815 566989238 /nfs/dbraw/zinc/98/92/38/566989238.db2.gz KPFDSYILVYXNIK-UHFFFAOYSA-N 0 2 397.298 3.364 20 30 GGEDLN Cc1c(C(=O)[C@H](C#N)c2ccncn2)cnn1-c1ccc(Br)cc1 ZINC000545445471 567050654 /nfs/dbraw/zinc/05/06/54/567050654.db2.gz FNQHUAZLSOMPPI-CQSZACIVSA-N 0 2 382.221 3.223 20 30 GGEDLN Cc1c(C(=O)C(C#N)c2ccncn2)cnn1-c1ccc(Br)cc1 ZINC000545445471 567050657 /nfs/dbraw/zinc/05/06/57/567050657.db2.gz FNQHUAZLSOMPPI-CQSZACIVSA-N 0 2 382.221 3.223 20 30 GGEDLN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)[C@H](C#N)c1ccncn1 ZINC000545446413 567053010 /nfs/dbraw/zinc/05/30/10/567053010.db2.gz IOJGPJDKYSOZBJ-CQSZACIVSA-N 0 2 382.221 3.223 20 30 GGEDLN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)C(C#N)c1ccncn1 ZINC000545446413 567053018 /nfs/dbraw/zinc/05/30/18/567053018.db2.gz IOJGPJDKYSOZBJ-CQSZACIVSA-N 0 2 382.221 3.223 20 30 GGEDLN CC(C)(C#N)CCS(=O)(=O)Nc1cc(Cl)cc(Br)c1O ZINC000584792731 567070487 /nfs/dbraw/zinc/07/04/87/567070487.db2.gz SVLCDCRLEYHJDC-UHFFFAOYSA-N 0 2 381.679 3.490 20 30 GGEDLN N#C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1Br ZINC000613954526 567073841 /nfs/dbraw/zinc/07/38/41/567073841.db2.gz QZOPDZMXKDXLHI-ZDUSSCGKSA-N 0 2 376.166 3.058 20 30 GGEDLN N#Cc1cnc(NS(=O)(=O)c2ccc3cc(Br)ccc3c2)s1 ZINC000614079711 567082388 /nfs/dbraw/zinc/08/23/88/567082388.db2.gz JIFUZCDJVVHANS-UHFFFAOYSA-N 0 2 394.275 3.153 20 30 GGEDLN CCOC(=O)c1c(F)cccc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000614096085 567084256 /nfs/dbraw/zinc/08/42/56/567084256.db2.gz MZJRVGBIYHXVJL-UHFFFAOYSA-N 0 2 382.800 3.328 20 30 GGEDLN Cc1[nH][nH]c(=NC(=O)c2csc(-c3cc(Br)cs3)n2)c1C#N ZINC000431690411 567101352 /nfs/dbraw/zinc/10/13/52/567101352.db2.gz JMMDJWDNFMYONP-UHFFFAOYSA-N 0 2 394.279 3.212 20 30 GGEDLN N#CCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000588809868 567138574 /nfs/dbraw/zinc/13/85/74/567138574.db2.gz FJCODIUOKSXLLN-UHFFFAOYSA-N 0 2 378.479 3.356 20 30 GGEDLN N#Cc1cc(O)cc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000589175152 567163325 /nfs/dbraw/zinc/16/33/25/567163325.db2.gz DOUQRTPSZVWPPW-UHFFFAOYSA-N 0 2 384.193 3.064 20 30 GGEDLN CC(C)Cc1cc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)[nH]n1 ZINC000474429291 567169507 /nfs/dbraw/zinc/16/95/07/567169507.db2.gz FPLQWPDCDNXXJW-UHFFFAOYSA-N 0 2 383.271 3.043 20 30 GGEDLN Cc1cc(NS(=O)(=O)c2cc(C)c(Br)cc2C)n(CCC#N)n1 ZINC000523990160 567178527 /nfs/dbraw/zinc/17/85/27/567178527.db2.gz LAFZGNWMWQRCKW-UHFFFAOYSA-N 0 2 397.298 3.285 20 30 GGEDLN CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000589588947 567184496 /nfs/dbraw/zinc/18/44/96/567184496.db2.gz QHBNVLPQGCDGNN-UHFFFAOYSA-N 0 2 378.475 3.409 20 30 GGEDLN Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c2n[nH]cc21 ZINC000432777052 567190440 /nfs/dbraw/zinc/19/04/40/567190440.db2.gz SKCIPOYIKYHWAE-UHFFFAOYSA-N 0 2 391.250 3.306 20 30 GGEDLN COc1ccc(F)cc1NS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432778288 567190620 /nfs/dbraw/zinc/19/06/20/567190620.db2.gz DHQFZODYJRFBJT-UHFFFAOYSA-N 0 2 385.214 3.269 20 30 GGEDLN Cc1c(NS(=O)(=O)c2ccc(C#N)c(Br)c2)cnn1CC(C)C ZINC000432778145 567190861 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ZINC000194191919 1433135203 /nfs/dbraw/zinc/13/52/03/1433135203.db2.gz LFUYFOGRLQPUEJ-RBZFPXEDSA-N 0 2 382.489 3.073 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@]3(C#N)CCC[C@H](C)C3)cc2[nH]c1=S ZINC000194191881 1433135386 /nfs/dbraw/zinc/13/53/86/1433135386.db2.gz LFUYFOGRLQPUEJ-RNODOKPDSA-N 0 2 382.489 3.073 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)Nc3cc([C@H]4C[C@H]4C)[nH]n3)cc2[nH]c1=S ZINC000194583032 1433201520 /nfs/dbraw/zinc/20/15/20/1433201520.db2.gz ZPHKTSVMPCAZCH-MFKMUULPSA-N 0 2 381.461 3.344 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)Nc3cc([C@H]4C[C@@H]4C)[nH]n3)cc2[nH]c1=S ZINC000194583046 1433201575 /nfs/dbraw/zinc/20/15/75/1433201575.db2.gz ZPHKTSVMPCAZCH-GWCFXTLKSA-N 0 2 381.461 3.344 20 30 GGEDLN C[C@@H](CC#N)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC000194649190 1433210944 /nfs/dbraw/zinc/21/09/44/1433210944.db2.gz UKDMBHRWSXDLAO-AWEZNQCLSA-N 0 2 392.484 3.334 20 30 GGEDLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C#N)cc3Cl)o2)cc1 ZINC000194779797 1433230316 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Cc1cc(C#N)ccc1S(=O)(=O)Nc1nnc(C(C)(C)c2ccccc2)o1 ZINC000194937373 1433268540 /nfs/dbraw/zinc/26/85/40/1433268540.db2.gz ARLCMTTWIBWIKX-UHFFFAOYSA-N 0 2 382.445 3.376 20 30 GGEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1nnc(C(C)(C)c2ccccc2)o1 ZINC000194944959 1433270184 /nfs/dbraw/zinc/27/01/84/1433270184.db2.gz DDJMBBPUSDFGPP-UHFFFAOYSA-N 0 2 382.445 3.376 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)o2)cc1Cl ZINC000194948151 1433270688 /nfs/dbraw/zinc/27/06/88/1433270688.db2.gz XCCXKERHXIQDQS-UHFFFAOYSA-N 0 2 392.799 3.125 20 30 GGEDLN Cc1cccc(/N=C2\SC(CC(=O)NCC(F)(F)F)C(=O)N2C2CC2)c1 ZINC000195380576 1433324194 /nfs/dbraw/zinc/32/41/94/1433324194.db2.gz KDJFTGCJCFFRLO-ACIHENLCSA-N 0 2 385.411 3.158 20 30 GGEDLN Cc1cccc(/N=C2\S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N2C2CC2)c1 ZINC000195380576 1433324195 /nfs/dbraw/zinc/32/41/95/1433324195.db2.gz KDJFTGCJCFFRLO-ACIHENLCSA-N 0 2 385.411 3.158 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2cccc(C)c2)C1=O ZINC000254961862 1433873103 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C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2ccc(C)cc2)c1 ZINC000254985641 1433873565 /nfs/dbraw/zinc/87/35/65/1433873565.db2.gz VOBDWTYTZNQZKH-IBGZPJMESA-N 0 2 391.496 3.244 20 30 GGEDLN CNC(=O)CC1SC(=Nc2cc(Cl)cc(Cl)c2)N(CC(F)F)C1=O ZINC000254982269 1433873628 /nfs/dbraw/zinc/87/36/28/1433873628.db2.gz TVKWZZXLTYAGPF-JTQLQIEISA-N 0 2 396.246 3.326 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CC(F)F)C1=O ZINC000254982269 1433873629 /nfs/dbraw/zinc/87/36/29/1433873629.db2.gz TVKWZZXLTYAGPF-JTQLQIEISA-N 0 2 396.246 3.326 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccc(C)c(F)c2)N(Cc2ccsc2)C1=O ZINC000255009586 1433874198 /nfs/dbraw/zinc/87/41/98/1433874198.db2.gz ZEQXWBWPFBFZPD-OAHLLOKOSA-N 0 2 391.493 3.463 20 30 GGEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2ccsc2)C1=O ZINC000255009586 1433874199 /nfs/dbraw/zinc/87/41/99/1433874199.db2.gz ZEQXWBWPFBFZPD-OAHLLOKOSA-N 0 2 391.493 3.463 20 30 GGEDLN CNC(=O)CC1SC(=Nc2cccc(C)c2)N(CCc2cccc(F)c2)C1=O ZINC000255026808 1433874416 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20 30 GGEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1nnc(CC2CCCCC2)s1 ZINC000185627263 1431188157 /nfs/dbraw/zinc/18/81/57/1431188157.db2.gz RTZHSXNZVVXIRQ-UHFFFAOYSA-N 0 2 392.506 3.342 20 30 GGEDLN CCn1cnnc1-c1ccccc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186421552 1431412906 /nfs/dbraw/zinc/41/29/06/1431412906.db2.gz GTEVFQBJLXKLSO-UHFFFAOYSA-N 0 2 387.852 3.291 20 30 GGEDLN N#Cc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187853012 1431820396 /nfs/dbraw/zinc/82/03/96/1431820396.db2.gz SPPXYFQJXLIPLV-CYBMUJFWSA-N 0 2 392.864 3.428 20 30 GGEDLN CNC(=O)CC1S/C(=N/c2ccc(C#N)c(Cl)c2)N(CC=C(C)C)C1=O ZINC000188711759 1431942533 /nfs/dbraw/zinc/94/25/33/1431942533.db2.gz LCDRIWDXIOMJMR-CYNURGJPSA-N 0 2 390.896 3.245 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N/c2ccc(C#N)c(Cl)c2)N(CC=C(C)C)C1=O ZINC000188711759 1431942536 /nfs/dbraw/zinc/94/25/36/1431942536.db2.gz LCDRIWDXIOMJMR-CYNURGJPSA-N 0 2 390.896 3.245 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)Nc3cnn([C@H](C)C4CC4)c3)cc2[nH]c1=S ZINC000189355259 1432092302 /nfs/dbraw/zinc/09/23/02/1432092302.db2.gz AQLVFNDNPNYMDO-GFCCVEGCSA-N 0 2 395.488 3.291 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)Nc3cnn([C@@H](C)C4CC4)c3)cc2[nH]c1=S ZINC000189355240 1432092344 /nfs/dbraw/zinc/09/23/44/1432092344.db2.gz AQLVFNDNPNYMDO-LBPRGKRZSA-N 0 2 395.488 3.291 20 30 GGEDLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C#N)cc3C)o2)cc1 ZINC000190347222 1432365567 /nfs/dbraw/zinc/36/55/67/1432365567.db2.gz RHZOIYVVIRKLSN-UHFFFAOYSA-N 0 2 384.417 3.116 20 30 GGEDLN Cn1cnc2cc(C(=O)C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)cnc21 ZINC000191507286 1432675271 /nfs/dbraw/zinc/67/52/71/1432675271.db2.gz QCGNFLREVSUQFY-OAHLLOKOSA-N 0 2 384.424 3.454 20 30 GGEDLN N#CCc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000192461591 1432847422 /nfs/dbraw/zinc/84/74/22/1432847422.db2.gz VJBGVCOABBRKIZ-UHFFFAOYSA-N 0 2 398.469 3.262 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2[nH]c1=S ZINC000192625699 1432867909 /nfs/dbraw/zinc/86/79/09/1432867909.db2.gz BZTMMISUPLGASU-CYBMUJFWSA-N 0 2 377.469 3.463 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3Cc4ccccc43)cc2[nH]c1=S ZINC000194072109 1433112016 /nfs/dbraw/zinc/11/20/16/1433112016.db2.gz YVEADFJVFXCGCC-OAHLLOKOSA-N 0 2 377.469 3.315 20 30 GGEDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000194142905 1433125182 /nfs/dbraw/zinc/12/51/82/1433125182.db2.gz CHOBQXMFDCRMAA-UHFFFAOYSA-N 0 2 375.406 3.205 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)cc2[nH]c1=S ZINC000194191863 1433135193 /nfs/dbraw/zinc/13/51/93/1433135193.db2.gz LFUYFOGRLQPUEJ-ZUOKHONESA-N 0 2 382.489 3.073 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)o2)cc1Cl ZINC000194808792 1433236983 /nfs/dbraw/zinc/23/69/83/1433236983.db2.gz ROYJWLFYFOAFAI-UHFFFAOYSA-N 0 2 392.799 3.125 20 30 GGEDLN COc1ccccc1-c1nnc(NS(=O)(=O)c2ccc(C#N)cc2Cl)o1 ZINC000194911314 1433263189 /nfs/dbraw/zinc/26/31/89/1433263189.db2.gz ROUOVWGRZQPNNT-UHFFFAOYSA-N 0 2 390.808 3.071 20 30 GGEDLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc(C#N)cc2OC)o1)c1ccccc1 ZINC000194955993 1433272342 /nfs/dbraw/zinc/27/23/42/1433272342.db2.gz XOZCUWZWTBMTSK-OAHLLOKOSA-N 0 2 398.444 3.293 20 30 GGEDLN CC(C)(C)c1ccc(/N=C2/NC(=O)[C@@H](CC(=O)NCC(F)(F)F)S2)cc1 ZINC000195216828 1433308286 /nfs/dbraw/zinc/30/82/86/1433308286.db2.gz APDUWBQQTUGGKY-GFCCVEGCSA-N 0 2 387.427 3.272 20 30 GGEDLN N#Cc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)cn1 ZINC000195442179 1433330033 /nfs/dbraw/zinc/33/00/33/1433330033.db2.gz FBFNYJPVONKRNY-UHFFFAOYSA-N 0 2 378.413 3.006 20 30 GGEDLN C#Cc1cccc(N=C2SC(CC(=O)NC)C(=O)N2[C@@H]2CC23CCCCC3)c1 ZINC000254943193 1433872729 /nfs/dbraw/zinc/87/27/29/1433872729.db2.gz XURDYILFYQYECA-ZWKOTPCHSA-N 0 2 395.528 3.458 20 30 GGEDLN C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@@H]2CC23CCCCC3)c1 ZINC000254943193 1433872731 /nfs/dbraw/zinc/87/27/31/1433872731.db2.gz XURDYILFYQYECA-ZWKOTPCHSA-N 0 2 395.528 3.458 20 30 GGEDLN CNC(=O)CC1SC(=Nc2cc(Cl)cc(Cl)c2)N(CC(F)F)C1=O ZINC000254982270 1433873615 /nfs/dbraw/zinc/87/36/15/1433873615.db2.gz TVKWZZXLTYAGPF-SNVBAGLBSA-N 0 2 396.246 3.326 20 30 GGEDLN CNC(=O)C[C@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N(CC(F)F)C1=O ZINC000254982270 1433873616 /nfs/dbraw/zinc/87/36/16/1433873616.db2.gz TVKWZZXLTYAGPF-SNVBAGLBSA-N 0 2 396.246 3.326 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N(Cc2ccc(C)cc2)C1=O ZINC000255035573 1433874680 /nfs/dbraw/zinc/87/46/80/1433874680.db2.gz MPHCUKKXUBIRLM-KRWDZBQOSA-N 0 2 385.464 3.402 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(Cc2ccc(C)cc2)C1=O ZINC000255035573 1433874681 /nfs/dbraw/zinc/87/46/81/1433874681.db2.gz MPHCUKKXUBIRLM-KRWDZBQOSA-N 0 2 385.464 3.402 20 30 GGEDLN O=C1[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)CCN1c1ccc(Cl)c(F)c1 ZINC000255062716 1433875346 /nfs/dbraw/zinc/87/53/46/1433875346.db2.gz OEDKFDUKUKPVQK-CIYLQVQQSA-N 0 2 377.759 3.317 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccc(F)cc2F)N(CCCC(C)C)C1=O ZINC000255088219 1433876236 /nfs/dbraw/zinc/87/62/36/1433876236.db2.gz GOMTXBZLNFRMNG-OAHLLOKOSA-N 0 2 383.464 3.469 20 30 GGEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCCC(C)C)C1=O ZINC000255088219 1433876237 /nfs/dbraw/zinc/87/62/37/1433876237.db2.gz GOMTXBZLNFRMNG-OAHLLOKOSA-N 0 2 383.464 3.469 20 30 GGEDLN C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CC2(C3CC3)CCC2)c1 ZINC000255138234 1433877293 /nfs/dbraw/zinc/87/72/93/1433877293.db2.gz HCZZSQBLLOQVOL-GOSISDBHSA-N 0 2 395.528 3.316 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N(CCc2cccc(C)c2)C1=O ZINC000255160207 1433877566 /nfs/dbraw/zinc/87/75/66/1433877566.db2.gz FDBGDTPNYKLYFS-SFHVURJKSA-N 0 2 399.491 3.444 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCc2cccc(C)c2)C1=O ZINC000255160207 1433877567 /nfs/dbraw/zinc/87/75/67/1433877567.db2.gz FDBGDTPNYKLYFS-SFHVURJKSA-N 0 2 399.491 3.444 20 30 GGEDLN N#C[C@H](C(=O)C=Cc1ccc(Cl)nc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000255171491 1433877818 /nfs/dbraw/zinc/87/78/18/1433877818.db2.gz KIZGUASPRKWVKB-IQCBXXCUSA-N 0 2 391.822 3.135 20 30 GGEDLN C#Cc1cccc(N=C2SC(CC(=O)NC)C(=O)N2Cc2cccc(C)c2)c1 ZINC000255204429 1433878444 /nfs/dbraw/zinc/87/84/44/1433878444.db2.gz SWFYJYPUBAGAJB-IBGZPJMESA-N 0 2 391.496 3.244 20 30 GGEDLN C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2cccc(C)c2)c1 ZINC000255204429 1433878445 /nfs/dbraw/zinc/87/84/45/1433878445.db2.gz SWFYJYPUBAGAJB-IBGZPJMESA-N 0 2 391.496 3.244 20 30 GGEDLN CNC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CCc2cccs2)C1=O ZINC000255270070 1433878946 /nfs/dbraw/zinc/87/89/46/1433878946.db2.gz IWPQLBDDMYLZHS-MRXNPFEDSA-N 0 2 387.530 3.367 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccc(F)c(Cl)c2)N(CC(F)(F)F)C1=O ZINC000255275164 1433878983 /nfs/dbraw/zinc/87/89/83/1433878983.db2.gz IYCNHXKTDLTMMQ-SNVBAGLBSA-N 0 2 397.781 3.109 20 30 GGEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CC(F)(F)F)C1=O ZINC000255275164 1433878984 /nfs/dbraw/zinc/87/89/84/1433878984.db2.gz IYCNHXKTDLTMMQ-SNVBAGLBSA-N 0 2 397.781 3.109 20 30 GGEDLN CNC(=O)CC1SC(=Nc2cccc(C)c2)N(CCc2ccccc2)C1=O ZINC000255310245 1433879882 /nfs/dbraw/zinc/87/98/82/1433879882.db2.gz RSXLWICPCNLJQU-SFHVURJKSA-N 0 2 381.501 3.305 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CCc2ccccc2)C1=O ZINC000255310245 1433879884 /nfs/dbraw/zinc/87/98/84/1433879884.db2.gz RSXLWICPCNLJQU-SFHVURJKSA-N 0 2 381.501 3.305 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(CC2(C3CC3)CC2)C1=O ZINC000255319729 1433880237 /nfs/dbraw/zinc/88/02/37/1433880237.db2.gz BIODXAUNLFWSLA-SFHVURJKSA-N 0 2 397.544 3.433 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccc(F)cc2)C1=O ZINC000255324916 1433880534 /nfs/dbraw/zinc/88/05/34/1433880534.db2.gz OTVGDXZVZWSELY-KRWDZBQOSA-N 0 2 385.464 3.136 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N(CCc2ccccc2)C1=O ZINC000255392602 1433882017 /nfs/dbraw/zinc/88/20/17/1433882017.db2.gz RKYBKAYMWVJJKH-QGZVFWFLSA-N 0 2 385.464 3.136 20 30 GGEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCc2ccccc2)C1=O ZINC000255392602 1433882018 /nfs/dbraw/zinc/88/20/18/1433882018.db2.gz RKYBKAYMWVJJKH-QGZVFWFLSA-N 0 2 385.464 3.136 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N(Cc2cccs2)C1=O ZINC000255421684 1433882610 /nfs/dbraw/zinc/88/26/10/1433882610.db2.gz KMPZLIXYMLKVRE-CQSZACIVSA-N 0 2 377.466 3.155 20 30 GGEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2cccs2)C1=O ZINC000255421684 1433882612 /nfs/dbraw/zinc/88/26/12/1433882612.db2.gz KMPZLIXYMLKVRE-CQSZACIVSA-N 0 2 377.466 3.155 20 30 GGEDLN CNC(=O)CC1SC(=Nc2ccc(F)c(Cl)c2)N(C2CCCC2)C1=O ZINC000255469859 1433883185 /nfs/dbraw/zinc/88/31/85/1433883185.db2.gz XHPNLFMNFQUTHO-CQSZACIVSA-N 0 2 383.876 3.489 20 30 GGEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(C2CCCC2)C1=O ZINC000255469859 1433883186 /nfs/dbraw/zinc/88/31/86/1433883186.db2.gz XHPNLFMNFQUTHO-CQSZACIVSA-N 0 2 383.876 3.489 20 30 GGEDLN C#Cc1cccc(N=C2SC(CC(=O)NC)C(=O)N2Cc2ccccc2F)c1 ZINC000255480783 1433883417 /nfs/dbraw/zinc/88/34/17/1433883417.db2.gz QUVCGEDCLSVKBO-GOSISDBHSA-N 0 2 395.459 3.075 20 30 GGEDLN C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2ccccc2F)c1 ZINC000255480783 1433883418 /nfs/dbraw/zinc/88/34/18/1433883418.db2.gz QUVCGEDCLSVKBO-GOSISDBHSA-N 0 2 395.459 3.075 20 30 GGEDLN CCc1cccc(N=C2SC(CC(=O)NC)C(=O)N2[C@@H](C)c2ccccn2)c1 ZINC000255543045 1433884580 /nfs/dbraw/zinc/88/45/80/1433884580.db2.gz UULOGDWNDMRPST-KSSFIOAISA-N 0 2 396.516 3.473 20 30 GGEDLN CCc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@@H](C)c2ccccn2)c1 ZINC000255543045 1433884581 /nfs/dbraw/zinc/88/45/81/1433884581.db2.gz UULOGDWNDMRPST-KSSFIOAISA-N 0 2 396.516 3.473 20 30 GGEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(CC2(C3CC3)CC2)C1=O ZINC000255544145 1433884641 /nfs/dbraw/zinc/88/46/41/1433884641.db2.gz NZINHBXWFJWIAM-INIZCTEOSA-N 0 2 389.496 3.392 20 30 GGEDLN CCc1ccc(N=C2SC(CC(=O)NC)C(=O)N2[C@@H](C)c2ccccn2)cc1 ZINC000255612918 1433886485 /nfs/dbraw/zinc/88/64/85/1433886485.db2.gz FKTYOPBEMOSMLR-KSSFIOAISA-N 0 2 396.516 3.473 20 30 GGEDLN CCc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@@H](C)c2ccccn2)cc1 ZINC000255612918 1433886486 /nfs/dbraw/zinc/88/64/86/1433886486.db2.gz FKTYOPBEMOSMLR-KSSFIOAISA-N 0 2 396.516 3.473 20 30 GGEDLN CCc1ccc(N=C2SC(CC(=O)NC)C(=O)N2[C@@H](C)c2ccccn2)cc1 ZINC000255612916 1433886542 /nfs/dbraw/zinc/88/65/42/1433886542.db2.gz FKTYOPBEMOSMLR-KBXCAEBGSA-N 0 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CCc1ccc(/N=C2/SC(CC(=O)NC3CC3)C(=O)N2CCCC#N)cc1 ZINC000273017479 1434950722 /nfs/dbraw/zinc/95/07/22/1434950722.db2.gz KJXGBCYAXVNMQB-OLRQPGBRSA-N 0 2 384.505 3.153 20 30 GGEDLN CCc1ccc(/N=C2/S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCC#N)cc1 ZINC000273017479 1434950727 /nfs/dbraw/zinc/95/07/27/1434950727.db2.gz KJXGBCYAXVNMQB-OLRQPGBRSA-N 0 2 384.505 3.153 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N\c2cccc(C(F)(F)F)c2)N(CCCC#N)C1=O ZINC000273025201 1434951682 /nfs/dbraw/zinc/95/16/82/1434951682.db2.gz LPXUHNIIMWCUKO-SXNXEAAASA-N 0 2 398.410 3.077 20 30 GGEDLN Cc1ccc(/N=C2/SC(CC(=O)NC3CC3)C(=O)N2CCCC#N)cc1C ZINC000273069869 1434957418 /nfs/dbraw/zinc/95/74/18/1434957418.db2.gz VEKMUYBOFNTNQL-OLRQPGBRSA-N 0 2 384.505 3.207 20 30 GGEDLN Cc1ccc(/N=C2/S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCC#N)cc1C ZINC000273069869 1434957420 /nfs/dbraw/zinc/95/74/20/1434957420.db2.gz VEKMUYBOFNTNQL-OLRQPGBRSA-N 0 2 384.505 3.207 20 30 GGEDLN C[C@H](/N=C1\S[C@H](CC(=O)NC2CC2)C(=O)N1CCCC#N)c1cccs1 ZINC000273086046 1434959214 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GGEDLN CNC(=O)CC1S/C(=N\c2cc(C)ccc2C)N(C2CC(F)(F)C2)C1=O ZINC000277149483 1435269239 /nfs/dbraw/zinc/26/92/39/1435269239.db2.gz DAWBDWLIYFZCMN-AEWZPABSSA-N 0 2 381.448 3.169 20 30 GGEDLN CNC(=O)C[C@@H]1S/C(=N\c2cc(C)ccc2C)N(C2CC(F)(F)C2)C1=O ZINC000277149483 1435269243 /nfs/dbraw/zinc/26/92/43/1435269243.db2.gz DAWBDWLIYFZCMN-AEWZPABSSA-N 0 2 381.448 3.169 20 30 GGEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000277151769 1435269585 /nfs/dbraw/zinc/26/95/85/1435269585.db2.gz DFJAADDCNBINPX-UHFFFAOYSA-N 0 2 396.394 3.001 20 30 GGEDLN CCc1ccccc1/N=C1\SC(CC(=O)NC)C(=O)N1C1CC(F)(F)C1 ZINC000277173174 1435273543 /nfs/dbraw/zinc/27/35/43/1435273543.db2.gz FYHYSBKKFBMARO-CHOFAJOMSA-N 0 2 381.448 3.114 20 30 GGEDLN CCc1ccccc1/N=C1\S[C@H](CC(=O)NC)C(=O)N1C1CC(F)(F)C1 ZINC000277173174 1435273548 /nfs/dbraw/zinc/27/35/48/1435273548.db2.gz FYHYSBKKFBMARO-CHOFAJOMSA-N 0 2 381.448 3.114 20 30 GGEDLN CNC(=O)CC1S/C(=N\c2c(C)cccc2C)N(C2CC(F)(F)C2)C1=O ZINC000277281816 1435289226 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ZINC000282722757 1435857798 /nfs/dbraw/zinc/85/77/98/1435857798.db2.gz RWEIZRSYMLXWHL-UHFFFAOYSA-N 0 2 388.371 3.349 20 30 GGEDLN CC(C)CCc1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)o1 ZINC000282819987 1435861610 /nfs/dbraw/zinc/86/16/10/1435861610.db2.gz ZUUMXZPRUPXICO-UHFFFAOYSA-N 0 2 388.371 3.349 20 30 GGEDLN C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(C#N)cc1Br ZINC000825961493 1446762157 /nfs/dbraw/zinc/76/21/57/1446762157.db2.gz GWXKNUFFPHHGQS-UHFFFAOYSA-N 0 2 383.253 3.133 20 30 GGEDLN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(C#N)cc1Br ZINC000825961493 1446762163 /nfs/dbraw/zinc/76/21/63/1446762163.db2.gz GWXKNUFFPHHGQS-UHFFFAOYSA-N 0 2 383.253 3.133 20 30 GGEDLN C[C@H](CC[NH+](C)Cc1cccc(-c2nnn[n-]2)c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000820243102 1450491143 /nfs/dbraw/zinc/49/11/43/1450491143.db2.gz VLOJWSVEPQTWJD-QGZVFWFLSA-N 0 2 389.507 3.081 20 30 GGEDLN C[C@H](CC[NH+](C)Cc1cccc(-c2nnn[n-]2)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000820243102 1450491146 /nfs/dbraw/zinc/49/11/46/1450491146.db2.gz VLOJWSVEPQTWJD-QGZVFWFLSA-N 0 2 389.507 3.081 20 30 GGEDLN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000819992319 945323819 /nfs/dbraw/zinc/32/38/19/945323819.db2.gz WBTOLCBDGNTVQX-AWEZNQCLSA-N 0 2 388.387 3.042 20 30 GGEDLN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H](C#N)c1nc2ccccc2o1 ZINC000819992319 945323829 /nfs/dbraw/zinc/32/38/29/945323829.db2.gz WBTOLCBDGNTVQX-AWEZNQCLSA-N 0 2 388.387 3.042 20 30 GGEDLN Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001594367830 958503724 /nfs/dbraw/zinc/50/37/24/958503724.db2.gz YLCRYASTJUUVTN-HXUWFJFHSA-N 0 2 383.423 3.105 20 30 GGEDLN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](CC(=O)[O-])CC(C)(C)C)c1C#N ZINC001594253068 959629869 /nfs/dbraw/zinc/62/98/69/959629869.db2.gz NGAXSNMHOIXZNG-UHFFFAOYSA-N 0 2 396.491 3.337 20 30 GGEDLN Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1C#N ZINC001594253068 959629878 /nfs/dbraw/zinc/62/98/78/959629878.db2.gz NGAXSNMHOIXZNG-UHFFFAOYSA-N 0 2 396.491 3.337 20 30 GGEDLN Cc1cc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C(=O)[O-])ccc1Cl ZINC001574333030 960898339 /nfs/dbraw/zinc/89/83/39/960898339.db2.gz KDZZDETYQPMPPM-RHSMWYFYSA-N 0 2 377.872 3.223 20 30 GGEDLN Cc1cc(N(CCC#N)C(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C(=O)[O-])ccc1Cl ZINC001574333030 960898357 /nfs/dbraw/zinc/89/83/57/960898357.db2.gz KDZZDETYQPMPPM-RHSMWYFYSA-N 0 2 377.872 3.223 20 30 GGEDLN C#CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)[C@@H]1CCc2ccccc21 ZINC001573310711 962689127 /nfs/dbraw/zinc/68/91/27/962689127.db2.gz BMEYHJSFBRGIJS-QGZVFWFLSA-N 0 2 394.496 3.496 20 30 GGEDLN C#CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)[C@@H]1CCc2ccccc21 ZINC001573310711 962689136 /nfs/dbraw/zinc/68/91/36/962689136.db2.gz BMEYHJSFBRGIJS-QGZVFWFLSA-N 0 2 394.496 3.496 20 30 GGEDLN C[C@@](CC(=O)[O-])([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(F)c1 ZINC001592329461 977759259 /nfs/dbraw/zinc/75/92/59/977759259.db2.gz IOSBGQCBWNKBJG-FQEVSTJZSA-N 0 2 380.379 3.227 20 30 GGEDLN COc1cc(C[N@@H+]2CCSC[C@H]2C(=O)[O-])ccc1OCc1cccc(C#N)c1 ZINC000738082101 978474534 /nfs/dbraw/zinc/47/45/34/978474534.db2.gz XWPPYVDGPKIEGV-SFHVURJKSA-N 0 2 398.484 3.148 20 30 GGEDLN COc1cc(C[N@H+]2CCSC[C@H]2C(=O)[O-])ccc1OCc1cccc(C#N)c1 ZINC000738082101 978474540 /nfs/dbraw/zinc/47/45/40/978474540.db2.gz XWPPYVDGPKIEGV-SFHVURJKSA-N 0 2 398.484 3.148 20 30 GGEDLN COc1cc(C[N@@H+]2CCSC[C@@H]2C(=O)[O-])ccc1OCc1cccc(C#N)c1 ZINC000738082100 978474562 /nfs/dbraw/zinc/47/45/62/978474562.db2.gz XWPPYVDGPKIEGV-GOSISDBHSA-N 0 2 398.484 3.148 20 30 GGEDLN COc1cc(C[N@H+]2CCSC[C@@H]2C(=O)[O-])ccc1OCc1cccc(C#N)c1 ZINC000738082100 978474564 /nfs/dbraw/zinc/47/45/64/978474564.db2.gz XWPPYVDGPKIEGV-GOSISDBHSA-N 0 2 398.484 3.148 20 30 GGEDLN C[C@](Cc1ccc(Cl)cc1)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(=O)[O-] ZINC001592840412 979606103 /nfs/dbraw/zinc/60/61/03/979606103.db2.gz ZZFWBCIVJHJHQL-HXUWFJFHSA-N 0 2 396.834 3.437 20 30 GGEDLN C[C@H](C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)[NH+]1CCSCC1 ZINC000909108234 981418306 /nfs/dbraw/zinc/41/83/06/981418306.db2.gz SGGFWUYLLLQAEP-MRXNPFEDSA-N 0 2 394.496 3.160 20 30 GGEDLN C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589331804 986192614 /nfs/dbraw/zinc/19/26/14/986192614.db2.gz PMJCOTCQOAKVDB-YCRPNKLZSA-N 0 2 397.500 3.466 20 30 GGEDLN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001589431647 986730276 /nfs/dbraw/zinc/73/02/76/986730276.db2.gz IUUMBIKTUSFVSU-LBPRGKRZSA-N 0 2 383.835 3.295 20 30 GGEDLN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001589431647 986730282 /nfs/dbraw/zinc/73/02/82/986730282.db2.gz IUUMBIKTUSFVSU-LBPRGKRZSA-N 0 2 383.835 3.295 20 30 GGEDLN C[C@@H](Oc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1)C(=O)[O-] ZINC001593615789 995839261 /nfs/dbraw/zinc/83/92/61/995839261.db2.gz QHQGQRJZFHSADV-OAHLLOKOSA-N 0 2 399.878 3.386 20 30 GGEDLN C[C@@H](Oc1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1)C(=O)[O-] ZINC001593645704 995977306 /nfs/dbraw/zinc/97/73/06/995977306.db2.gz LPLDJFXQGGJLBI-OAHLLOKOSA-N 0 2 399.878 3.386 20 30 GGEDLN C[C@H](Oc1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1)C(=O)[O-] ZINC001593645703 995977842 /nfs/dbraw/zinc/97/78/42/995977842.db2.gz LPLDJFXQGGJLBI-HNNXBMFYSA-N 0 2 399.878 3.386 20 30 GGEDLN C[C@H](c1ncc(C(=O)[O-])s1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001593731698 996304531 /nfs/dbraw/zinc/30/45/31/996304531.db2.gz HWUURKXHNVXANK-LLVKDONJSA-N 0 2 375.425 3.456 20 30 GGEDLN COc1ccc(C[NH+]2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)cc1C#N ZINC001599560722 998188596 /nfs/dbraw/zinc/18/85/96/998188596.db2.gz QZZBNITUNNJJHF-FQEVSTJZSA-N 0 2 399.878 3.164 20 30 GGEDLN COc1ccc(-c2nc(C[NH+]3CCC(C#N)(C(=O)[O-])CC3)cs2)c(OC)c1 ZINC001599470101 998435257 /nfs/dbraw/zinc/43/52/57/998435257.db2.gz WSFCVBXZLOVUCR-UHFFFAOYSA-N 0 2 387.461 3.018 20 30 GGEDLN COc1ccc(-n2c(C[NH+]3CCC(C#N)(C(=O)[O-])CC3)nc3ccccc32)cc1 ZINC001599473750 998492265 /nfs/dbraw/zinc/49/22/65/998492265.db2.gz QDLAYRCTEPVAHV-UHFFFAOYSA-N 0 2 390.443 3.224 20 30 GGEDLN COc1ccc(NC(=O)CC2S/C(=N\C3CCCC3)NC2=O)cc1Cl ZINC000003539510 564198232 /nfs/dbraw/zinc/19/82/32/564198232.db2.gz JPFWVJXWKBGLOV-CQSZACIVSA-N 0 2 381.885 3.207 20 30 GGEDLN COc1ccc(NC(=O)C[C@H]2S/C(=N\C3CCCC3)NC2=O)cc1Cl ZINC000003539510 564198235 /nfs/dbraw/zinc/19/82/35/564198235.db2.gz JPFWVJXWKBGLOV-CQSZACIVSA-N 0 2 381.885 3.207 20 30 GGEDLN N#CCCn1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000117740904 564231240 /nfs/dbraw/zinc/23/12/40/564231240.db2.gz GGTJGGHCFDPTFB-UHFFFAOYSA-N 0 2 378.763 3.270 20 30 GGEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCS[C@@H](C)[C@@H]3C)cc2[nH]c1=S ZINC000118530011 564241727 /nfs/dbraw/zinc/24/17/27/564241727.db2.gz WHHBVJVFDZQFQO-RYUDHWBXSA-N 0 2 375.519 3.211 20 30 GGEDLN Cc1sc(S(=O)(=O)Nc2cccc(OCCCC#N)c2)cc1[N+](=O)[O-] ZINC000119055054 564252936 /nfs/dbraw/zinc/25/29/36/564252936.db2.gz GMZXLVWJNDAJRD-UHFFFAOYSA-N 0 2 381.435 3.448 20 30 GGEDLN Cc1csc(C(C#N)C(=O)CSc2nnc(-c3cccs3)n2C)n1 ZINC000010710484 564259708 /nfs/dbraw/zinc/25/97/08/564259708.db2.gz CMPACMGSFCNRJD-JTQLQIEISA-N 0 2 375.504 3.277 20 30 GGEDLN Cc1csc([C@@H](C#N)C(=O)CSc2nnc(-c3cccs3)n2C)n1 ZINC000010710484 564259717 /nfs/dbraw/zinc/25/97/17/564259717.db2.gz CMPACMGSFCNRJD-JTQLQIEISA-N 0 2 375.504 3.277 20 30 GGEDLN CSc1[nH]c(=O)c(C(=O)N(C)Cc2ccccc2Br)cc1C#N ZINC000121023430 564349118 /nfs/dbraw/zinc/34/91/18/564349118.db2.gz NHKPGEIROZCDIG-UHFFFAOYSA-N 0 2 392.278 3.003 20 30 GGEDLN COC(=O)c1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000122058256 564397954 /nfs/dbraw/zinc/39/79/54/564397954.db2.gz ZETYDTQPDASTMB-UHFFFAOYSA-N 0 2 390.364 3.226 20 30 GGEDLN COC(=O)c1csc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000122051761 564398347 /nfs/dbraw/zinc/39/83/47/564398347.db2.gz RLMDHWJSZAHFPH-UHFFFAOYSA-N 0 2 390.364 3.226 20 30 GGEDLN N#C[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)c1cccc(Br)c1 ZINC000128841857 564631314 /nfs/dbraw/zinc/63/13/14/564631314.db2.gz ASOLGCBDKOSRSP-HNNXBMFYSA-N 0 2 397.232 3.335 20 30 GGEDLN CC(=O)Nc1cc(NS(=O)(=O)c2c(F)cc(C#N)cc2F)ccc1Cl ZINC000129331764 564645780 /nfs/dbraw/zinc/64/57/80/564645780.db2.gz MBDOCXQNWLVCEX-UHFFFAOYSA-N 0 2 385.779 3.249 20 30 GGEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1cc(Br)ccc1OC ZINC000064479137 564730747 /nfs/dbraw/zinc/73/07/47/564730747.db2.gz LMDYNRHYSCOFCI-UHFFFAOYSA-N 0 2 397.250 3.139 20 30 GGEDLN N#CCCn1ccc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)n1 ZINC000132612754 564748130 /nfs/dbraw/zinc/74/81/30/564748130.db2.gz YHSKONKRTQNBGC-UHFFFAOYSA-N 0 2 389.662 3.013 20 30 GGEDLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)sc1SCC#N ZINC000066253657 564759093 /nfs/dbraw/zinc/75/90/93/564759093.db2.gz ZCDUAETYHNUFCR-UHFFFAOYSA-N 0 2 397.503 3.029 20 30 GGEDLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)c(SCC#N)s2)cc1 ZINC000066253734 564759911 /nfs/dbraw/zinc/75/99/11/564759911.db2.gz GDLCAARFCQNIPC-UHFFFAOYSA-N 0 2 396.519 3.217 20 30 GGEDLN CCN(CCC#N)C(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000133311037 564770446 /nfs/dbraw/zinc/77/04/46/564770446.db2.gz MXMRTGDJCRYASX-UHFFFAOYSA-N 0 2 377.491 3.233 20 30 GGEDLN COC(=O)c1ccsc1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000152794771 564972162 /nfs/dbraw/zinc/97/21/62/564972162.db2.gz ZHPRDXIUBILQSF-UHFFFAOYSA-N 0 2 390.364 3.226 20 30 GGEDLN N#Cc1nc(NC(=O)CCCSc2ccc(Br)cc2)[nH]c1C#N ZINC000108447616 565011852 /nfs/dbraw/zinc/01/18/52/565011852.db2.gz VFIXUZKJTBAOFH-UHFFFAOYSA-N 0 2 390.266 3.427 20 30 GGEDLN CC(C)c1nnc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)s1 ZINC000154023795 565022955 /nfs/dbraw/zinc/02/29/55/565022955.db2.gz OENQKZYXWJPJPD-UHFFFAOYSA-N 0 2 387.284 3.096 20 30 GGEDLN C#CCCCCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000156435693 565087334 /nfs/dbraw/zinc/08/73/34/565087334.db2.gz DWJOIOOWRNVJPL-UHFFFAOYSA-N 0 2 376.503 3.011 20 30 GGEDLN O=C(C[C@@H]1S/C(=N/c2ccc(Cl)cc2)N(CC(F)F)C1=O)NC1CC1 ZINC000267766066 565129986 /nfs/dbraw/zinc/12/99/86/565129986.db2.gz ZIKZFKUPWMHNSP-UGVXJAHZSA-N 0 2 387.839 3.205 20 30 GGEDLN O=C(CC1S/C(=N/c2ccc(Cl)cc2)N(CC(F)F)C1=O)NC1CC1 ZINC000267766066 565129989 /nfs/dbraw/zinc/12/99/89/565129989.db2.gz ZIKZFKUPWMHNSP-UGVXJAHZSA-N 0 2 387.839 3.205 20 30 GGEDLN Cc1ccsc1Cn1nccc1NS(=O)(=O)c1ccc(C#N)cc1F ZINC000158125702 565157633 /nfs/dbraw/zinc/15/76/33/565157633.db2.gz ACLOLZHIRYTIPZ-UHFFFAOYSA-N 0 2 376.438 3.113 20 30 GGEDLN N#Cc1ccc(Br)cc1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000185156264 565182102 /nfs/dbraw/zinc/18/21/02/565182102.db2.gz CMBTVUZHPZZRNJ-UHFFFAOYSA-N 0 2 379.235 3.056 20 30 GGEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1nc2c(ccc(F)c2C)s1 ZINC000185628784 565211893 /nfs/dbraw/zinc/21/18/93/565211893.db2.gz MOMZGQFYYQLMAM-UHFFFAOYSA-N 0 2 377.422 3.425 20 30 GGEDLN Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(C#N)c(Br)cn2)c1 ZINC000185656762 565214717 /nfs/dbraw/zinc/21/47/17/565214717.db2.gz RYQYZZANBBYUGS-UHFFFAOYSA-N 0 2 386.658 3.478 20 30 GGEDLN CCCCn1ncc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)c1C ZINC000160139785 565233098 /nfs/dbraw/zinc/23/30/98/565233098.db2.gz KAMSOKAFYITXSO-UHFFFAOYSA-N 0 2 397.298 3.427 20 30 GGEDLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(C#N)cc2Cl)o1 ZINC000186582389 565269847 /nfs/dbraw/zinc/26/98/47/565269847.db2.gz CCGTZUXBLJYSHR-UHFFFAOYSA-N 0 2 376.825 3.159 20 30 GGEDLN C=C(C)COc1cccc(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000295904979 565292459 /nfs/dbraw/zinc/29/24/59/565292459.db2.gz IPLOXXRYDFAZBG-UHFFFAOYSA-N 0 2 375.372 3.195 20 30 GGEDLN Cn1cc(S(=O)(=O)Nc2ccccc2SCCC#N)c(C(F)(F)F)n1 ZINC000296068475 565301050 /nfs/dbraw/zinc/30/10/50/565301050.db2.gz VEQGDUDGYAGNOR-UHFFFAOYSA-N 0 2 390.412 3.245 20 30 GGEDLN CC(C)N1CCc2nc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)sc2C1 ZINC000272999611 565304468 /nfs/dbraw/zinc/30/44/68/565304468.db2.gz ZYUGEJLILJSHTE-UHFFFAOYSA-N 0 2 396.925 3.235 20 30 GGEDLN Cc1nc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1Br ZINC000168806297 565382228 /nfs/dbraw/zinc/38/22/28/565382228.db2.gz YSUGTRZQSQHVPK-UHFFFAOYSA-N 0 2 386.658 3.478 20 30 GGEDLN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1ccc(C(F)(F)F)cc1F ZINC000275669951 565422493 /nfs/dbraw/zinc/42/24/93/565422493.db2.gz MZVPFPNCOOJRKH-UHFFFAOYSA-N 0 2 391.268 3.404 20 30 GGEDLN 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ZINC000279434133 1435498958 /nfs/dbraw/zinc/49/89/58/1435498958.db2.gz LBZPVPBTSOTSIH-MNWJKJAESA-N 0 2 391.562 3.124 20 30 GGEDLN Cc1cccc(/N=C2\SC(CC(=O)NC3CC3)C(=O)N2[C@@H]2CCSC2)c1 ZINC000279939996 1435566631 /nfs/dbraw/zinc/56/66/31/1435566631.db2.gz MDKJEUHOPGXWET-VQYLBFNNSA-N 0 2 389.546 3.101 20 30 GGEDLN Cc1cccc(/N=C2\S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H]2CCSC2)c1 ZINC000279939996 1435566632 /nfs/dbraw/zinc/56/66/32/1435566632.db2.gz MDKJEUHOPGXWET-VQYLBFNNSA-N 0 2 389.546 3.101 20 30 GGEDLN CC(C)Oc1ccc(/N=C2/SC(CC(=O)NC3CC3)C(=O)N2CCF)cc1 ZINC000280580534 1435682803 /nfs/dbraw/zinc/68/28/03/1435682803.db2.gz MRVOIIJCDRCZCR-UFIXSJTLSA-N 0 2 393.484 3.044 20 30 GGEDLN CC(C)Oc1ccc(/N=C2/S[C@H](CC(=O)NC3CC3)C(=O)N2CCF)cc1 ZINC000280580534 1435682807 /nfs/dbraw/zinc/68/28/07/1435682807.db2.gz MRVOIIJCDRCZCR-UFIXSJTLSA-N 0 2 393.484 3.044 20 30 GGEDLN C=CC[N@H+](Cc1cnc([C@H]2CCCO2)s1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914751 1441750511 /nfs/dbraw/zinc/75/05/11/1441750511.db2.gz MUUGDLKKVDGLEM-QGZVFWFLSA-N 0 2 382.493 3.363 20 30 GGEDLN C=CC[N@@H+](Cc1cnc([C@H]2CCCO2)s1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914751 1441750515 /nfs/dbraw/zinc/75/05/15/1441750515.db2.gz MUUGDLKKVDGLEM-QGZVFWFLSA-N 0 2 382.493 3.363 20 30 GGEDLN C=CCOc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823931992 1442035404 /nfs/dbraw/zinc/03/54/04/1442035404.db2.gz KBBCJBQQDQTGPQ-FQEVSTJZSA-N 0 2 377.448 3.005 20 30 GGEDLN C=CCOc1ccccc1C[N@H+]1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823931992 1442035410 /nfs/dbraw/zinc/03/54/10/1442035410.db2.gz KBBCJBQQDQTGPQ-FQEVSTJZSA-N 0 2 377.448 3.005 20 30 GGEDLN Fc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000737637640 1443893220 /nfs/dbraw/zinc/89/32/20/1443893220.db2.gz ANOVHESIIZMQGK-UHFFFAOYSA-N 0 2 383.271 3.323 20 30 GGEDLN Fc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000737637640 1443893221 /nfs/dbraw/zinc/89/32/21/1443893221.db2.gz ANOVHESIIZMQGK-UHFFFAOYSA-N 0 2 383.271 3.323 20 30 GGEDLN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000819745731 1446807905 /nfs/dbraw/zinc/80/79/05/1446807905.db2.gz QLPPBJBMCSJTMG-OXJNMPFZSA-N 0 2 388.475 3.032 20 30 GGEDLN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000819745731 1446807911 /nfs/dbraw/zinc/80/79/11/1446807911.db2.gz QLPPBJBMCSJTMG-OXJNMPFZSA-N 0 2 388.475 3.032 20 30 GGEDLN C=CC[N@H+](CCc1ccco1)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823909734 1447194085 /nfs/dbraw/zinc/19/40/85/1447194085.db2.gz PDQDEUJNWHGBAA-UHFFFAOYSA-N 0 2 375.436 3.011 20 30 GGEDLN C=CC[N@@H+](CCc1ccco1)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823909734 1447194087 /nfs/dbraw/zinc/19/40/87/1447194087.db2.gz PDQDEUJNWHGBAA-UHFFFAOYSA-N 0 2 375.436 3.011 20 30 GGEDLN C=CC[N@@H+](CC(=O)c1cc(C)n(C2CC2)c1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819740039 1450157536 /nfs/dbraw/zinc/15/75/36/1450157536.db2.gz MJRPDVUHBXBDCN-UHFFFAOYSA-N 0 2 390.491 3.491 20 30 GGEDLN C=CC[N@H+](CC(=O)c1cc(C)n(C2CC2)c1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819740039 1450157542 /nfs/dbraw/zinc/15/75/42/1450157542.db2.gz MJRPDVUHBXBDCN-UHFFFAOYSA-N 0 2 390.491 3.491 20 30 GGEDLN