smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)s1 ZINC000822427020 946086263 /nfs/dbraw/zinc/08/62/63/946086263.db2.gz AIBRIVKAUBBXEE-LLVKDONJSA-N -1 2 396.480 3.183 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000325427013 971214528 /nfs/dbraw/zinc/21/45/28/971214528.db2.gz YKZLKPXDWMJHPK-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM CCOC(=O)c1ccsc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000327292466 971384262 /nfs/dbraw/zinc/38/42/62/971384262.db2.gz NIURSUDOAMOOOS-UHFFFAOYSA-N -1 2 383.447 3.041 20 0 GGADLM CCOc1ccc2nc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)sc2c1 ZINC000327622132 971412609 /nfs/dbraw/zinc/41/26/09/971412609.db2.gz OOGMTQWIQCNZJE-UHFFFAOYSA-N -1 2 382.419 3.095 20 0 GGADLM CC(C)c1c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1ccccc1 ZINC000370682008 971553798 /nfs/dbraw/zinc/55/37/98/971553798.db2.gz PTASIXATSUGSKJ-UHFFFAOYSA-N -1 2 399.472 3.424 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Cc1ccccc1C(=O)[O-] ZINC001589673543 949958595 /nfs/dbraw/zinc/95/85/95/949958595.db2.gz KQTNXVUMDSPMJK-UHFFFAOYSA-N -1 2 385.445 3.076 20 0 GGADLM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C1 ZINC001593963390 956516430 /nfs/dbraw/zinc/51/64/30/956516430.db2.gz DNQCQBWNUVZKNU-HXUWFJFHSA-N -1 2 389.835 3.276 20 0 GGADLM C[C@@]1(C(=O)[O-])CCCN1Cc1cc(Br)c(O)c(Br)c1 ZINC001589186821 956561293 /nfs/dbraw/zinc/56/12/93/956561293.db2.gz GPCUQIUCDWSIEM-ZDUSSCGKSA-N -1 2 393.075 3.356 20 0 GGADLM COC(=O)c1sccc1S(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000058556604 957558222 /nfs/dbraw/zinc/55/82/22/957558222.db2.gz OYYWZEQYKKXOQD-UHFFFAOYSA-N -1 2 391.426 3.187 20 0 GGADLM Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)CCCC(=O)[O-] ZINC001594310934 958017096 /nfs/dbraw/zinc/01/70/96/958017096.db2.gz UVAQYZPVWCCDSH-UHFFFAOYSA-N -1 2 394.424 3.128 20 0 GGADLM COc1ccc(-c2cc3[nH]c(CN4[C@H](C)CC[C@@H]4C(=O)[O-])nc(=O)c3s2)cc1 ZINC001594071183 958184749 /nfs/dbraw/zinc/18/47/49/958184749.db2.gz IWARAAVDOFWMCH-IAQYHMDHSA-N -1 2 399.472 3.098 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000098077595 958355238 /nfs/dbraw/zinc/35/52/38/958355238.db2.gz DWADXTRVKGIBNG-UHFFFAOYSA-N -1 2 378.425 3.315 20 0 GGADLM O=C([O-])c1sccc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000161793721 959193533 /nfs/dbraw/zinc/19/35/33/959193533.db2.gz MQFMZPRPWOAADL-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186969490 959501553 /nfs/dbraw/zinc/50/15/53/959501553.db2.gz XHSASQCRURFQNL-UHFFFAOYSA-N -1 2 399.350 3.098 20 0 GGADLM C[C@H](C1CC1)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000187724890 959507459 /nfs/dbraw/zinc/50/74/59/959507459.db2.gz ZLLYHWRHANNQGK-MRVPVSSYSA-N -1 2 387.820 3.146 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)c1 ZINC000190840129 959525847 /nfs/dbraw/zinc/52/58/47/959525847.db2.gz DQKXIGKLYDWBMC-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM CC(C)(C)CC[C@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)C(=O)[O-] ZINC001588653470 960403833 /nfs/dbraw/zinc/40/38/33/960403833.db2.gz ZOQDLYXDWCDSSL-ZDUSSCGKSA-N -1 2 379.844 3.241 20 0 GGADLM CC(C)(C)CC[C@@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)C(=O)[O-] ZINC001588653468 960404289 /nfs/dbraw/zinc/40/42/89/960404289.db2.gz ZOQDLYXDWCDSSL-CYBMUJFWSA-N -1 2 379.844 3.241 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(-c2cccc(C)c2)n1 ZINC001185877211 960530122 /nfs/dbraw/zinc/53/01/22/960530122.db2.gz DMIKNUOYXFHLGQ-UHFFFAOYSA-N -1 2 385.445 3.297 20 0 GGADLM Cc1nn(C)c2cc(NS(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)ccc12 ZINC001259219593 960679870 /nfs/dbraw/zinc/67/98/70/960679870.db2.gz BHXGCCUBYPDACD-UHFFFAOYSA-N -1 2 397.815 3.173 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC001260215309 960706630 /nfs/dbraw/zinc/70/66/30/960706630.db2.gz UMDKNDKSPYWSIO-UHFFFAOYSA-N -1 2 386.404 3.311 20 0 GGADLM Cc1cc(NS(=O)(=O)c2c(F)cccc2Br)ccc1C(=O)[O-] ZINC001319280379 960935865 /nfs/dbraw/zinc/93/58/65/960935865.db2.gz PBJDVYQSAVTWJQ-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1c(F)cc(NS(=O)(=O)c2cnc(Cl)cc2Cl)cc1F ZINC001320127310 960973499 /nfs/dbraw/zinc/97/34/99/960973499.db2.gz VODZENMMSGDILD-UHFFFAOYSA-N -1 2 383.159 3.166 20 0 GGADLM CC(C)c1ccc(N2CC(=O)C(C(=O)NCc3ccccc3C(=O)[O-])=N2)cc1 ZINC001588962469 962625799 /nfs/dbraw/zinc/62/57/99/962625799.db2.gz FEPSNIDLICERBK-UHFFFAOYSA-N -1 2 379.416 3.330 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)cc1Cl ZINC000394216071 972685224 /nfs/dbraw/zinc/68/52/24/972685224.db2.gz KMCLKPXZBVOXRL-UHFFFAOYSA-N -1 2 391.836 3.084 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000433525174 974096691 /nfs/dbraw/zinc/09/66/91/974096691.db2.gz NQPJSNIHTIBBLK-UHFFFAOYSA-N -1 2 387.373 3.223 20 0 GGADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1)C(=O)[O-] ZINC000436160366 974099040 /nfs/dbraw/zinc/09/90/40/974099040.db2.gz IGULTICKEFKYCZ-AWEZNQCLSA-N -1 2 397.456 3.208 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c(F)c1 ZINC000438801717 974104176 /nfs/dbraw/zinc/10/41/76/974104176.db2.gz AFJRGYSLRSAQSB-UHFFFAOYSA-N -1 2 392.330 3.299 20 0 GGADLM CO[C@@H]1CCOc2c(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cccc21 ZINC000447788660 974125021 /nfs/dbraw/zinc/12/50/21/974125021.db2.gz RGGJBTFQZPGUGO-CQSZACIVSA-N -1 2 397.836 3.309 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000467754472 974192044 /nfs/dbraw/zinc/19/20/44/974192044.db2.gz OTJIJXCZONYSID-UHFFFAOYSA-N -1 2 391.405 3.260 20 0 GGADLM Cc1ccc(-n2ncc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2C(C)C)cc1 ZINC000480239717 974218882 /nfs/dbraw/zinc/21/88/82/974218882.db2.gz FYDQQURLKSVEJZ-UHFFFAOYSA-N -1 2 388.449 3.131 20 0 GGADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1CCC(C)C ZINC000491582296 974257406 /nfs/dbraw/zinc/25/74/06/974257406.db2.gz WLJWDCRKLQCRMM-UHFFFAOYSA-N -1 2 383.445 3.130 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C(C)C ZINC000499289809 974266722 /nfs/dbraw/zinc/26/67/22/974266722.db2.gz ZSVIKXQRJKLEIF-UHFFFAOYSA-N -1 2 383.445 3.301 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)ccc1C(=O)[O-] ZINC000507969820 974280325 /nfs/dbraw/zinc/28/03/25/974280325.db2.gz MMPTWRGOXLPVHM-UHFFFAOYSA-N -1 2 387.408 3.284 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)cc1Cl ZINC000532037285 974371911 /nfs/dbraw/zinc/37/19/11/974371911.db2.gz ISZQDIASYWONQW-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)F)c(F)c1 ZINC000540215268 974402672 /nfs/dbraw/zinc/40/26/72/974402672.db2.gz OWXKPNVPPVMSBX-UHFFFAOYSA-N -1 2 393.314 3.108 20 0 GGADLM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1C ZINC000547554857 974435656 /nfs/dbraw/zinc/43/56/56/974435656.db2.gz VGBDHDAXBZCKHD-UHFFFAOYSA-N -1 2 378.406 3.327 20 0 GGADLM Cc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000673497834 976012060 /nfs/dbraw/zinc/01/20/60/976012060.db2.gz NNHCLYZSDYCXTH-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM CC(C)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n(-c2ccccc2)n1 ZINC001591935814 976453786 /nfs/dbraw/zinc/45/37/86/976453786.db2.gz GSOXPWYZCMMGQN-UHFFFAOYSA-N -1 2 385.445 3.495 20 0 GGADLM CC(C)c1ccc(N2CC(=O)C(C(=O)NCCc3ccccc3C(=O)[O-])=N2)cc1 ZINC001591943462 976479261 /nfs/dbraw/zinc/47/92/61/976479261.db2.gz KPDJPJJSYLJTTB-UHFFFAOYSA-N -1 2 393.443 3.372 20 0 GGADLM CC(C)n1nc(-c2ccco2)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001592150351 977023122 /nfs/dbraw/zinc/02/31/22/977023122.db2.gz ZTNKGSDZAQCKJS-UHFFFAOYSA-N -1 2 393.396 3.362 20 0 GGADLM CN(C)C(=O)Sc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000737352560 978398675 /nfs/dbraw/zinc/39/86/75/978398675.db2.gz QXHKAVHBVIJDBA-UHFFFAOYSA-N -1 2 398.437 3.098 20 0 GGADLM CN(C)C(=O)Sc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000737351930 978398780 /nfs/dbraw/zinc/39/87/80/978398780.db2.gz JSJIWTHDMKPRLU-UHFFFAOYSA-N -1 2 398.437 3.098 20 0 GGADLM Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2)n1 ZINC000745976031 978679344 /nfs/dbraw/zinc/67/93/44/978679344.db2.gz BHYLJJWTURTKST-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1OC(C)C ZINC000766379299 978724441 /nfs/dbraw/zinc/72/44/41/978724441.db2.gz MWHLKUKMLBMQGK-UHFFFAOYSA-N -1 2 383.397 3.121 20 0 GGADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c2ncccc12 ZINC000769892449 978743751 /nfs/dbraw/zinc/74/37/51/978743751.db2.gz HNTGLOXCKGLFIE-UHFFFAOYSA-N -1 2 392.820 3.396 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2csc(-c3ccccc3)n2)ccc1F ZINC000795386131 978833255 /nfs/dbraw/zinc/83/32/55/978833255.db2.gz CUOXNNGVKMPUGT-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C1CC1 ZINC001595027474 979144597 /nfs/dbraw/zinc/14/45/97/979144597.db2.gz WIXKQFDTRJVCSB-JTQLQIEISA-N -1 2 381.429 3.370 20 0 GGADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C1CC1 ZINC001595027475 979144800 /nfs/dbraw/zinc/14/48/00/979144800.db2.gz WIXKQFDTRJVCSB-SNVBAGLBSA-N -1 2 381.429 3.370 20 0 GGADLM C[C@H](Cc1nnc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)o1)CC(C)(C)C ZINC001592913183 979885892 /nfs/dbraw/zinc/88/58/92/979885892.db2.gz YJCWRENTDICIBE-GFCCVEGCSA-N -1 2 395.481 3.112 20 0 GGADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccccc1OC(F)(F)F ZINC000901838998 980558123 /nfs/dbraw/zinc/55/81/23/980558123.db2.gz KLDVEQHGHHCKOF-UHFFFAOYSA-N -1 2 391.323 3.093 20 0 GGADLM CCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000901861715 980580695 /nfs/dbraw/zinc/58/06/95/980580695.db2.gz ZVDUYTHODHJMHG-UHFFFAOYSA-N -1 2 379.434 3.291 20 0 GGADLM CC[C@@H](c1nnc(NS(=O)(=O)c2csc(C(=O)[O-])c2)o1)c1ccccc1 ZINC001595363675 980784888 /nfs/dbraw/zinc/78/48/88/980784888.db2.gz HSRQZCRXMVNZDZ-GFCCVEGCSA-N -1 2 393.446 3.172 20 0 GGADLM CC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)sc2C1 ZINC001595469884 981166086 /nfs/dbraw/zinc/16/60/86/981166086.db2.gz CZRLCLSVWZEYIU-VIFPVBQESA-N -1 2 384.454 3.296 20 0 GGADLM CC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3OC)sc2C1 ZINC001595470567 981169132 /nfs/dbraw/zinc/16/91/32/981169132.db2.gz KAGXUEDMTYFHTG-JTQLQIEISA-N -1 2 396.490 3.166 20 0 GGADLM CC[C@@H]1CCc2nc(NS(=O)(=O)Cc3ccc(C(=O)[O-])cc3)sc2C1 ZINC001595470504 981169148 /nfs/dbraw/zinc/16/91/48/981169148.db2.gz JGKFXHSRPRMVMO-LLVKDONJSA-N -1 2 380.491 3.298 20 0 GGADLM CC[C@@H](C)[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001594922037 982473642 /nfs/dbraw/zinc/47/36/42/982473642.db2.gz WFDJOLKXWMSEEV-KBUNVGBDSA-N -1 2 391.770 3.433 20 0 GGADLM CCCCn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)c1C(C)C ZINC001595811123 982648383 /nfs/dbraw/zinc/64/83/83/982648383.db2.gz WXFSMKMMRRRFCZ-UHFFFAOYSA-N -1 2 395.481 3.314 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001595890727 982921039 /nfs/dbraw/zinc/92/10/39/982921039.db2.gz AUNKKUOARNZVOB-NEPJUHHUSA-N -1 2 377.466 3.027 20 0 GGADLM CCCc1c(NS(=O)(=O)c2ccsc2C(=O)[O-])cnn1-c1ccccc1 ZINC001596051225 983351125 /nfs/dbraw/zinc/35/11/25/983351125.db2.gz TWYMRCJRVCKRCM-UHFFFAOYSA-N -1 2 391.474 3.385 20 0 GGADLM CCCc1csc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)n1 ZINC001596074790 983390678 /nfs/dbraw/zinc/39/06/78/983390678.db2.gz NMYXVYOPZVXZCV-UHFFFAOYSA-N -1 2 378.834 3.387 20 0 GGADLM CCCc1csc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])n1 ZINC001596074862 983391622 /nfs/dbraw/zinc/39/16/22/983391622.db2.gz RMZDAKJROUIZIP-UHFFFAOYSA-N -1 2 377.447 3.143 20 0 GGADLM CCCc1csc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)n1 ZINC001596074901 983391634 /nfs/dbraw/zinc/39/16/34/983391634.db2.gz SUYQQKFIBLLOCI-UHFFFAOYSA-N -1 2 390.870 3.257 20 0 GGADLM CCOC(=O)c1ccccc1NS(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001596732166 985008927 /nfs/dbraw/zinc/00/89/27/985008927.db2.gz UJKXGOPQTFQAOE-UHFFFAOYSA-N -1 2 383.809 3.016 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)[nH]nc1-c1ccccc1 ZINC001599969328 985976948 /nfs/dbraw/zinc/97/69/48/985976948.db2.gz FOOLQSHQMWODKY-UHFFFAOYSA-N -1 2 375.381 3.023 20 0 GGADLM CCOc1ccc(C[C@@H](CNC(=O)c2cccc(Cl)c2O)C(=O)[O-])cc1 ZINC001597088466 986662547 /nfs/dbraw/zinc/66/25/47/986662547.db2.gz FQJWXLOOKODLKU-ZDUSSCGKSA-N -1 2 377.824 3.118 20 0 GGADLM C[C@@H](C(=O)[O-])[C@@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1ccccc1 ZINC001589468937 986936333 /nfs/dbraw/zinc/93/63/33/986936333.db2.gz HWGDESAXTZMLJL-SJKOYZFVSA-N -1 2 399.834 3.423 20 0 GGADLM CCc1c(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cnn1CC(C)C ZINC001597419603 987724296 /nfs/dbraw/zinc/72/42/96/987724296.db2.gz FUHWSFZHRFFLNW-UHFFFAOYSA-N -1 2 385.873 3.254 20 0 GGADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cnn1-c1ccccc1C ZINC001597420001 987729640 /nfs/dbraw/zinc/72/96/40/987729640.db2.gz SMCYWYACNLWOMZ-UHFFFAOYSA-N -1 2 391.474 3.304 20 0 GGADLM CC(C)(C)[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(F)(F)F ZINC001589720973 987884603 /nfs/dbraw/zinc/88/46/03/987884603.db2.gz VDXBHTQKHKEOAO-NSHDSACASA-N -1 2 391.770 3.433 20 0 GGADLM CC(C)(C)[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(F)(F)F ZINC001589720972 987884639 /nfs/dbraw/zinc/88/46/39/987884639.db2.gz VDXBHTQKHKEOAO-LLVKDONJSA-N -1 2 391.770 3.433 20 0 GGADLM CC(C)(C)C[C@@H](OC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C(=O)[O-] ZINC001589761830 988092361 /nfs/dbraw/zinc/09/23/61/988092361.db2.gz NHTLORLBMFLFCD-CQSZACIVSA-N -1 2 396.237 3.337 20 0 GGADLM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC001597579447 988380511 /nfs/dbraw/zinc/38/05/11/988380511.db2.gz YLULZCRLFFMMKE-UHFFFAOYSA-N -1 2 389.408 3.073 20 0 GGADLM CSc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)cc1Cl ZINC001599821113 988515231 /nfs/dbraw/zinc/51/52/31/988515231.db2.gz IKANWSKVKAWUHA-UHFFFAOYSA-N -1 2 378.884 3.326 20 0 GGADLM CCc1nc(NS(=O)(=O)c2c(C)n(C)c3ccccc32)sc1C(=O)[O-] ZINC001597685616 988839338 /nfs/dbraw/zinc/83/93/38/988839338.db2.gz UYVVKDCXXOHZDP-UHFFFAOYSA-N -1 2 379.463 3.005 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC001597785176 989301835 /nfs/dbraw/zinc/30/18/35/989301835.db2.gz AZLBHNVXHLPEPH-UHFFFAOYSA-N -1 2 395.824 3.180 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(-c2sccc2C)ns1 ZINC001597791795 989326570 /nfs/dbraw/zinc/32/65/70/989326570.db2.gz TVZRLUSNTSJGQB-UHFFFAOYSA-N -1 2 399.475 3.229 20 0 GGADLM CC(C)(C)c1nc(NS(=O)(=O)c2cccc(F)c2F)sc1C(=O)[O-] ZINC001590545500 990182736 /nfs/dbraw/zinc/18/27/36/990182736.db2.gz GQWRSSUTNMRWPQ-UHFFFAOYSA-N -1 2 376.406 3.218 20 0 GGADLM CC(C)(C)c1nc(NS(=O)(=O)c2c[nH]c(C(F)(F)F)c2)sc1C(=O)[O-] ZINC001590545861 990185567 /nfs/dbraw/zinc/18/55/67/990185567.db2.gz SAXOBDXLYWRTTQ-UHFFFAOYSA-N -1 2 397.400 3.287 20 0 GGADLM CC(C)(C)c1nnc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])o1 ZINC001590575378 990219170 /nfs/dbraw/zinc/21/91/70/990219170.db2.gz UJGRTNIUXCSCDM-UHFFFAOYSA-N -1 2 381.435 3.081 20 0 GGADLM CC(C)CCc1cc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])[nH]n1 ZINC001591266902 992183493 /nfs/dbraw/zinc/18/34/93/992183493.db2.gz VMKWRHFSMKCGAZ-UHFFFAOYSA-N -1 2 388.449 3.046 20 0 GGADLM CN(Cc1nc(=O)c2sccc2[nH]1)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001598538185 992865801 /nfs/dbraw/zinc/86/58/01/992865801.db2.gz HHSYACJBOTUVCL-ZDUSSCGKSA-N -1 2 381.816 3.447 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2sc(C)c(C)c2C(=O)[O-])c2cccnc12 ZINC001599617907 994041637 /nfs/dbraw/zinc/04/16/37/994041637.db2.gz MDMJDUIUSCZAFC-UHFFFAOYSA-N -1 2 392.458 3.421 20 0 GGADLM COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC001599634846 994271771 /nfs/dbraw/zinc/27/17/71/994271771.db2.gz IMYRTILWOQUSJB-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM CC1(C)Cc2cccc(S(=O)(=O)Nc3nc(CCCC(=O)[O-])cs3)c2O1 ZINC001593968993 997126897 /nfs/dbraw/zinc/12/68/97/997126897.db2.gz QUKDZDUGUIXZOC-UHFFFAOYSA-N -1 2 396.490 3.065 20 0 GGADLM COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC001599504569 997189696 /nfs/dbraw/zinc/18/96/96/997189696.db2.gz PJPKCJVHPKHVQR-UHFFFAOYSA-N -1 2 384.479 3.257 20 0 GGADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc2nc(C)oc2c1 ZINC001599330192 997734046 /nfs/dbraw/zinc/73/40/46/997734046.db2.gz NZVMHRGWMIUVRE-UHFFFAOYSA-N -1 2 396.808 3.297 20 0 GGADLM C[C@]1(NC(=O)C(F)(F)F)CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001594053981 997779933 /nfs/dbraw/zinc/77/99/33/997779933.db2.gz ZBCWCKVWLHJSBN-RISCZKNCSA-N -1 2 399.196 3.262 20 0 GGADLM COc1c(NC(=O)c2cc(Br)c(F)cc2O)cccc1C(=O)[O-] ZINC001599341635 997932234 /nfs/dbraw/zinc/93/22/34/997932234.db2.gz FCMVATJRHOQUTQ-UHFFFAOYSA-N -1 2 384.157 3.253 20 0 GGADLM COc1ccc(Br)c(S(=O)(=O)Nc2sccc2C(=O)[O-])c1 ZINC001599475808 998530895 /nfs/dbraw/zinc/53/08/95/998530895.db2.gz KHSGIODBVMTPPM-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C2CCC2)cc1 ZINC001599018530 998959210 /nfs/dbraw/zinc/95/92/10/998959210.db2.gz LCZWBZOAAYJQIL-UHFFFAOYSA-N -1 2 395.458 3.301 20 0 GGADLM C[C@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)sc2C1 ZINC001594450279 999646709 /nfs/dbraw/zinc/64/67/09/999646709.db2.gz CWWXEKRLIJXPEI-QMMMGPOBSA-N -1 2 386.882 3.420 20 0 GGADLM C[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C4(C(=O)[O-])CC4)cc3)sc2C1 ZINC001594450795 999648586 /nfs/dbraw/zinc/64/85/86/999648586.db2.gz KMKWCGKCYCKVAE-LLVKDONJSA-N -1 2 392.502 3.185 20 0 GGADLM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000048333669 205120203 /nfs/dbraw/zinc/12/02/03/205120203.db2.gz HOZGYRGKDDVQFV-UHFFFAOYSA-N -1 2 399.852 3.094 20 0 GGADLM CC(C)(C)n1cc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000058494592 205176135 /nfs/dbraw/zinc/17/61/35/205176135.db2.gz SIPXEHJJBIHUGL-UHFFFAOYSA-N -1 2 392.264 3.444 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(OCC(F)(F)F)c1 ZINC000071824032 205299517 /nfs/dbraw/zinc/29/95/17/205299517.db2.gz PKMGBSBSMFQHCA-UHFFFAOYSA-N -1 2 395.380 3.497 20 0 GGADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000033047696 206096956 /nfs/dbraw/zinc/09/69/56/206096956.db2.gz OVXUIWLBSZCFAY-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Br)s2)ccc1F ZINC000037396380 564421108 /nfs/dbraw/zinc/42/11/08/564421108.db2.gz FUKQLAHGVXPXAE-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1Cl ZINC000045774863 564488550 /nfs/dbraw/zinc/48/85/50/564488550.db2.gz FKAZMURWZOBSAI-UHFFFAOYSA-N -1 2 388.854 3.167 20 0 GGADLM COc1cc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c(OC)cc1Cl ZINC000045774468 564488847 /nfs/dbraw/zinc/48/88/47/564488847.db2.gz MPXAKLYTSOKBBX-UHFFFAOYSA-N -1 2 391.854 3.226 20 0 GGADLM COc1cc(OC)c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1Cl ZINC000045774824 564488964 /nfs/dbraw/zinc/48/89/64/564488964.db2.gz FCNPJQRTNJADKL-UHFFFAOYSA-N -1 2 391.854 3.226 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Cl ZINC000047318050 564517969 /nfs/dbraw/zinc/51/79/69/564517969.db2.gz IQZIUQMRKSFWJN-UHFFFAOYSA-N -1 2 391.188 3.401 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3)c(F)c2)sc1C(=O)[O-] ZINC000048382873 564538647 /nfs/dbraw/zinc/53/86/47/564538647.db2.gz ASFXMLMJKYQGNJ-UHFFFAOYSA-N -1 2 384.454 3.295 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2c(F)cccc2F)cc(C(F)(F)F)c1 ZINC000052471641 564572222 /nfs/dbraw/zinc/57/22/22/564572222.db2.gz STSVIAQNGBRQGD-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc(C(F)(F)F)c1 ZINC000052471747 564572482 /nfs/dbraw/zinc/57/24/82/564572482.db2.gz UOMQWNVMIPDGTG-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)c(Cl)c1 ZINC000129799854 564661318 /nfs/dbraw/zinc/66/13/18/564661318.db2.gz LSVSKGKQLLWYDC-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM COc1cc(OC)c(NS(=O)(=O)c2ccc(C)cc2Cl)c(C(=O)[O-])c1 ZINC000060362454 564697194 /nfs/dbraw/zinc/69/71/94/564697194.db2.gz HRQWDTYIQBGPFO-UHFFFAOYSA-N -1 2 385.825 3.165 20 0 GGADLM COc1cc(NS(=O)(=O)c2ccc(C)s2)c(C(=O)[O-])cc1OC(F)F ZINC000067659778 564796692 /nfs/dbraw/zinc/79/66/92/564796692.db2.gz UWCPEEIPGYPOMB-UHFFFAOYSA-N -1 2 393.389 3.166 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Br ZINC000070140424 564849570 /nfs/dbraw/zinc/84/95/70/564849570.db2.gz ROJLOMPWSUFPJT-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000070825709 564852220 /nfs/dbraw/zinc/85/22/20/564852220.db2.gz TUAQICXPKISBDI-UHFFFAOYSA-N -1 2 381.431 3.289 20 0 GGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000089568905 564870377 /nfs/dbraw/zinc/87/03/77/564870377.db2.gz BVIFPFOVDUYKBY-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000152695432 564968592 /nfs/dbraw/zinc/96/85/92/564968592.db2.gz UADHXRBTLJVMPN-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2F)ccc1F ZINC000154460640 565039942 /nfs/dbraw/zinc/03/99/42/565039942.db2.gz PNVUGCBBFRMBLC-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM Cc1cc(Br)c(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000184151393 565115975 /nfs/dbraw/zinc/11/59/75/565115975.db2.gz DGJYYFVFVZDNKD-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM O=C([O-])c1cccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)c1 ZINC000159902486 565222397 /nfs/dbraw/zinc/22/23/97/565222397.db2.gz VSGLPKUFFCTGDO-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM CCOc1cc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc(Cl)c1O ZINC000297334837 565368788 /nfs/dbraw/zinc/36/87/88/565368788.db2.gz DCVRBQOKSPYXLQ-MRXNPFEDSA-N -1 2 383.897 3.320 20 0 GGADLM Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000298843708 565431395 /nfs/dbraw/zinc/43/13/95/565431395.db2.gz HTSACKPGVGCFGD-UHFFFAOYSA-N -1 2 382.463 3.150 20 0 GGADLM CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1C ZINC000278051871 565536759 /nfs/dbraw/zinc/53/67/59/565536759.db2.gz JFCHMWVMKUMJML-UHFFFAOYSA-N -1 2 385.511 3.378 20 0 GGADLM Cc1cc(Br)cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000389163533 565553488 /nfs/dbraw/zinc/55/34/88/565553488.db2.gz MBBAONBVRHHAIY-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000393111409 565568188 /nfs/dbraw/zinc/56/81/88/565568188.db2.gz VYCOCKGNHYCBEY-UHFFFAOYSA-N -1 2 379.287 3.223 20 0 GGADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(Br)cc1F ZINC000317596757 565594570 /nfs/dbraw/zinc/59/45/70/565594570.db2.gz PZCRWPKXTKXTAS-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2OC(F)F)c(Cl)c1 ZINC000326612358 565625083 /nfs/dbraw/zinc/62/50/83/565625083.db2.gz JZQSYVXOBOENJX-UHFFFAOYSA-N -1 2 377.752 3.440 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2cccc(Br)c2F)ccc1F ZINC000410363424 565679327 /nfs/dbraw/zinc/67/93/27/565679327.db2.gz IWAKYUBYIBONFP-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410377587 565681251 /nfs/dbraw/zinc/68/12/51/565681251.db2.gz DJOHZVBBDUNJLT-UHFFFAOYSA-N -1 2 388.214 3.016 20 0 GGADLM Cc1c(Br)cccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000227870201 565924284 /nfs/dbraw/zinc/92/42/84/565924284.db2.gz MKKBNNZXDGEXPO-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)sc1Br ZINC000229620049 565927383 /nfs/dbraw/zinc/92/73/83/565927383.db2.gz GBDONZRXVBRSKR-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1F ZINC000229619927 565927422 /nfs/dbraw/zinc/92/74/22/565927422.db2.gz RFHZDNHDUDLYSJ-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c1F ZINC000180520537 566070252 /nfs/dbraw/zinc/07/02/52/566070252.db2.gz CHOUEBONZHRCGN-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000181709539 566160628 /nfs/dbraw/zinc/16/06/28/566160628.db2.gz MDRTXTCXMWYWKM-UHFFFAOYSA-N -1 2 385.873 3.308 20 0 GGADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(SC)c1 ZINC000509089112 566260731 /nfs/dbraw/zinc/26/07/31/566260731.db2.gz HNXOQMUVDKDOKS-UHFFFAOYSA-N -1 2 385.438 3.445 20 0 GGADLM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(Br)cc(Cl)c1O ZINC000534899469 566263622 /nfs/dbraw/zinc/26/36/22/566263622.db2.gz BHBBXPLINBAWAN-SECBINFHSA-N -1 2 384.679 3.119 20 0 GGADLM CC(C)Cn1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(C(F)F)n1 ZINC000534900178 566263746 /nfs/dbraw/zinc/26/37/46/566263746.db2.gz ITVLEGZEQGQCLY-UHFFFAOYSA-N -1 2 379.410 3.037 20 0 GGADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000556349085 566289383 /nfs/dbraw/zinc/28/93/83/566289383.db2.gz YEBDITQTIUHBGY-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)c(F)c1 ZINC000535780437 566326545 /nfs/dbraw/zinc/32/65/45/566326545.db2.gz BMQXUMJFUWCOBR-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCO2 ZINC000446627140 566359514 /nfs/dbraw/zinc/35/95/14/566359514.db2.gz WUMFUKLTNRIRIT-UHFFFAOYSA-N -1 2 383.447 3.273 20 0 GGADLM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1cc(Br)cc(Cl)c1O)C2 ZINC000576823408 566380892 /nfs/dbraw/zinc/38/08/92/566380892.db2.gz QYOWBSSSJSQMNG-VXJOIVPMSA-N -1 2 388.645 3.135 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)F)sc1C(=O)[O-] ZINC000536905919 566411593 /nfs/dbraw/zinc/41/15/93/566411593.db2.gz PWXQCVINIBOPRA-UHFFFAOYSA-N -1 2 395.380 3.339 20 0 GGADLM Cc1nc(C)c(S(=O)(=O)Nc2ccc(C)cc2SCCC(=O)[O-])s1 ZINC000484505708 566432488 /nfs/dbraw/zinc/43/24/88/566432488.db2.gz VRKUATSRVJAKRS-UHFFFAOYSA-N -1 2 386.520 3.436 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2csc(-c3ccccc3)n2)cc1F ZINC000671663337 566435472 /nfs/dbraw/zinc/43/54/72/566435472.db2.gz BDAPYKKOXBGBPI-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2csc(-c3ccccc3)n2)c1 ZINC000671663490 566435603 /nfs/dbraw/zinc/43/56/03/566435603.db2.gz PTZDXXSZHNKLEX-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM Cc1ccc(-n2cc[nH+]c2)c(C(=O)N=c2cc3ccc(Br)cn3[nH]2)c1 ZINC000511291169 566451215 /nfs/dbraw/zinc/45/12/15/566451215.db2.gz ZMPFHISWEGMXFD-UHFFFAOYSA-N -1 2 396.248 3.265 20 0 GGADLM CCCCn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1C ZINC000448132028 566459486 /nfs/dbraw/zinc/45/94/86/566459486.db2.gz FUGKMVVRZIRZHW-UHFFFAOYSA-N -1 2 385.873 3.452 20 0 GGADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000484974462 566466768 /nfs/dbraw/zinc/46/67/68/566466768.db2.gz IEOVIOOKILLKSC-UHFFFAOYSA-N -1 2 375.855 3.228 20 0 GGADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000484986850 566467840 /nfs/dbraw/zinc/46/78/40/566467840.db2.gz LWMAZXWEJIXSDP-UHFFFAOYSA-N -1 2 387.816 3.306 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)c1 ZINC000485076250 566473696 /nfs/dbraw/zinc/47/36/96/566473696.db2.gz GNOLOEKZHIBGNU-UHFFFAOYSA-N -1 2 393.471 3.188 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)nn1-c1ccccc1 ZINC000537836965 566475884 /nfs/dbraw/zinc/47/58/84/566475884.db2.gz MSARRXOEXAVZCO-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM COc1cc(C)ccc1NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485262500 566486057 /nfs/dbraw/zinc/48/60/57/566486057.db2.gz QTVBWUKVXCOEFY-UHFFFAOYSA-N -1 2 385.825 3.165 20 0 GGADLM COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)c(Cl)cc1C(=O)[O-] ZINC000485258107 566486154 /nfs/dbraw/zinc/48/61/54/566486154.db2.gz GJAJUMZYFUQDGG-UHFFFAOYSA-N -1 2 392.216 3.207 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc3nn(C(C)C)cc3c2)sc1C(=O)[O-] ZINC000605613000 566615557 /nfs/dbraw/zinc/61/55/57/566615557.db2.gz SEKCTJCPWRMZAW-UHFFFAOYSA-N -1 2 379.463 3.486 20 0 GGADLM COc1cc(NS(=O)(=O)c2cccs2)c(C(=O)[O-])cc1Br ZINC000560421477 566624272 /nfs/dbraw/zinc/62/42/72/566624272.db2.gz MWAHJKRLOAZYOZ-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM C[C@@H](c1ccccc1)n1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000675285692 566636334 /nfs/dbraw/zinc/63/63/34/566636334.db2.gz WOXXPTQVTXYORO-NSHDSACASA-N -1 2 377.447 3.053 20 0 GGADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000579905248 566649786 /nfs/dbraw/zinc/64/97/86/566649786.db2.gz BLXKEORBEMYSFU-UHFFFAOYSA-N -1 2 378.303 3.047 20 0 GGADLM COc1cc(C(=O)[O-])c(NS(=O)(=O)c2sccc2C)cc1OC(F)F ZINC000607614106 566676159 /nfs/dbraw/zinc/67/61/59/566676159.db2.gz PZCZYEMIMMNECX-UHFFFAOYSA-N -1 2 393.389 3.166 20 0 GGADLM CCOc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000468798947 566731574 /nfs/dbraw/zinc/73/15/74/566731574.db2.gz CHDDTIRDYQSASI-UHFFFAOYSA-N -1 2 385.825 3.246 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1F ZINC000677234880 566732821 /nfs/dbraw/zinc/73/28/21/566732821.db2.gz RDNRUIAIMIQNPK-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1CC(C)C ZINC000677417682 566745293 /nfs/dbraw/zinc/74/52/93/566745293.db2.gz MSZCPLGIYFIOAL-UHFFFAOYSA-N -1 2 385.873 3.254 20 0 GGADLM Cc1cnc(OC(C)C)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000451073414 566748987 /nfs/dbraw/zinc/74/89/87/566748987.db2.gz ZYBMFAOVPXNBOR-UHFFFAOYSA-N -1 2 384.841 3.330 20 0 GGADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cnn1CCC(C)C ZINC000562360643 566785320 /nfs/dbraw/zinc/78/53/20/566785320.db2.gz NIDRCUVKLUAPMD-UHFFFAOYSA-N -1 2 385.511 3.361 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)c(Cl)c1 ZINC000489563271 566796860 /nfs/dbraw/zinc/79/68/60/566796860.db2.gz CUEHHCVGRVTBBQ-UHFFFAOYSA-N -1 2 383.838 3.291 20 0 GGADLM CCc1c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cnn1CCC(C)C ZINC000491573881 566909847 /nfs/dbraw/zinc/90/98/47/566909847.db2.gz UVXCJBOVZXCTEQ-UHFFFAOYSA-N -1 2 385.511 3.361 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cccc1C(F)(F)F ZINC000471137304 566931662 /nfs/dbraw/zinc/93/16/62/566931662.db2.gz RQDUPGKFOVQUHC-UHFFFAOYSA-N -1 2 375.324 3.218 20 0 GGADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000471134650 566932256 /nfs/dbraw/zinc/93/22/56/566932256.db2.gz XIPOXGQFUITLLR-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c(Cl)c1 ZINC000471976064 566992272 /nfs/dbraw/zinc/99/22/72/566992272.db2.gz DPYWKINHUCRJNO-UHFFFAOYSA-N -1 2 380.180 3.337 20 0 GGADLM Cc1cc(Br)c(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)s1 ZINC000545123638 567020276 /nfs/dbraw/zinc/02/02/76/567020276.db2.gz JYPNSZNBXLXOMW-UHFFFAOYSA-N -1 2 390.280 3.247 20 0 GGADLM COc1nc2ccc(NS(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cc2s1 ZINC000430975799 567044207 /nfs/dbraw/zinc/04/42/07/567044207.db2.gz CMFURLGSUHNRNN-UHFFFAOYSA-N -1 2 384.460 3.174 20 0 GGADLM C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Br)o2)C1 ZINC000546093462 567106031 /nfs/dbraw/zinc/10/60/31/567106031.db2.gz CVTMKCHXWJFZKO-JSGCOSHPSA-N -1 2 399.310 3.156 20 0 GGADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cc(C)ccc2Cl)c1OC ZINC000498015689 567143619 /nfs/dbraw/zinc/14/36/19/567143619.db2.gz MUEQUMBQJBDPCE-UHFFFAOYSA-N -1 2 385.825 3.165 20 0 GGADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000523730145 567168788 /nfs/dbraw/zinc/16/87/88/567168788.db2.gz DBEZLJWCSUUORM-UHFFFAOYSA-N -1 2 383.495 3.302 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000547499832 567215294 /nfs/dbraw/zinc/21/52/94/567215294.db2.gz VDJVHXPCQYCQCR-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM CC1(C(=O)[O-])CCN(C(=O)c2cc(Br)cc(Cl)c2O)CC1 ZINC000659781567 567224885 /nfs/dbraw/zinc/22/48/85/567224885.db2.gz HVTLWAJBLYWAIF-UHFFFAOYSA-N -1 2 376.634 3.135 20 0 GGADLM Cc1c(Br)ccc(C(=O)[O-])c1NS(=O)(=O)c1cccs1 ZINC000547933264 567265181 /nfs/dbraw/zinc/26/51/81/567265181.db2.gz RBKNUZZCYVGZSJ-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000592006538 567308073 /nfs/dbraw/zinc/30/80/73/567308073.db2.gz HSDXJZQSAFLCMQ-UHFFFAOYSA-N -1 2 388.854 3.167 20 0 GGADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(Br)ccc1F ZINC000500300706 567312409 /nfs/dbraw/zinc/31/24/09/567312409.db2.gz WBZWNLHIOIBLDB-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM COc1ccsc1S(=O)(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000548527411 567322914 /nfs/dbraw/zinc/32/29/14/567322914.db2.gz BGLBIZVVKJTDKB-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000436894361 567464404 /nfs/dbraw/zinc/46/44/04/567464404.db2.gz QVNLVBWFYQIYMP-UHFFFAOYSA-N -1 2 379.287 3.049 20 0 GGADLM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(Br)cc(Cl)c2O)C1 ZINC000570211199 567466042 /nfs/dbraw/zinc/46/60/42/567466042.db2.gz AXMPTGOBOWYFFN-QMMMGPOBSA-N -1 2 376.634 3.135 20 0 GGADLM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1O ZINC000436998272 567473357 /nfs/dbraw/zinc/47/33/57/567473357.db2.gz YJHXDIZHKWMKDX-UHFFFAOYSA-N -1 2 379.287 3.049 20 0 GGADLM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1O ZINC000436993374 567474048 /nfs/dbraw/zinc/47/40/48/567474048.db2.gz BLNAOYQEEPJPPK-UHFFFAOYSA-N -1 2 379.287 3.049 20 0 GGADLM CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cn1 ZINC000478688828 567475590 /nfs/dbraw/zinc/47/55/90/567475590.db2.gz RDHUOZWHIHMQBB-VIFPVBQESA-N -1 2 383.857 3.451 20 0 GGADLM CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cn1 ZINC000478675583 567475741 /nfs/dbraw/zinc/47/57/41/567475741.db2.gz AYSBHQWWZOXUJY-SECBINFHSA-N -1 2 383.857 3.451 20 0 GGADLM O=C(N=c1nc(-c2ccsc2)[nH]s1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529058012 567481986 /nfs/dbraw/zinc/48/19/86/567481986.db2.gz HJBJVUAJSLVYHR-CQSZACIVSA-N -1 2 377.539 3.217 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)ccc1F ZINC000479193484 567513387 /nfs/dbraw/zinc/51/33/87/567513387.db2.gz WWZWPUALLXMOLB-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000479201286 567514051 /nfs/dbraw/zinc/51/40/51/567514051.db2.gz DAZUWDZIKGDAIA-UHFFFAOYSA-N -1 2 377.315 3.272 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(Oc3ccccn3)c2)c1 ZINC000438717573 567540034 /nfs/dbraw/zinc/54/00/34/567540034.db2.gz BHGFTYHGHIIRBS-UHFFFAOYSA-N -1 2 376.415 3.434 20 0 GGADLM C[C@H](Sc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1)C(=O)[O-] ZINC000504658556 567542900 /nfs/dbraw/zinc/54/29/00/567542900.db2.gz WVOUWCIKEJUXFG-QMMMGPOBSA-N -1 2 391.392 3.470 20 0 GGADLM C[C@@H](Sc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)cc1)C(=O)[O-] ZINC000504673763 567544173 /nfs/dbraw/zinc/54/41/73/567544173.db2.gz QZBXNXDPHUITAB-MRVPVSSYSA-N -1 2 391.392 3.470 20 0 GGADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(F)ccc1F ZINC000505127320 567561327 /nfs/dbraw/zinc/56/13/27/567561327.db2.gz BLBIRXQBIIOEKF-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM COc1cc(OC)c(NS(=O)(=O)c2cc(C)c(Cl)s2)c(C(=O)[O-])c1 ZINC000530541216 567610067 /nfs/dbraw/zinc/61/00/67/567610067.db2.gz MNRHUWNNLSXZIO-UHFFFAOYSA-N -1 2 391.854 3.226 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000572066078 567611054 /nfs/dbraw/zinc/61/10/54/567611054.db2.gz ARUCUVIOXMWRJJ-UHFFFAOYSA-N -1 2 385.438 3.483 20 0 GGADLM Cc1nc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000481451083 567677523 /nfs/dbraw/zinc/67/75/23/567677523.db2.gz LPRGKWANSLXTMW-UHFFFAOYSA-N -1 2 380.369 3.278 20 0 GGADLM Cc1cc(Br)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)s1 ZINC000460430365 567689543 /nfs/dbraw/zinc/68/95/43/567689543.db2.gz UBMRIONLGHZZAG-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000481614780 567691504 /nfs/dbraw/zinc/69/15/04/567691504.db2.gz QTVGBIKYNHJHBG-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM Cc1cc(Br)c(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])s1 ZINC000460826724 567704475 /nfs/dbraw/zinc/70/44/75/567704475.db2.gz IJNKSTFQLVELFV-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM CC[C@]1(C)Oc2ccc(NS(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cc2O1 ZINC000442834721 567711171 /nfs/dbraw/zinc/71/11/71/567711171.db2.gz KSKBSJDJMNUCGF-MRXNPFEDSA-N -1 2 383.447 3.453 20 0 GGADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)n[nH]2)s1 ZINC000507885136 567713710 /nfs/dbraw/zinc/71/37/10/567713710.db2.gz BSPBLXPZMSGTJI-UHFFFAOYSA-N -1 2 377.447 3.254 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2csc(-c3ccccn3)n2)ccc1C(=O)[O-] ZINC000507902521 567714538 /nfs/dbraw/zinc/71/45/38/567714538.db2.gz ALKUWKBEZUVMCY-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cc(C(=O)[O-])sc3C)c2C)o1 ZINC000533229093 567760732 /nfs/dbraw/zinc/76/07/32/567760732.db2.gz NYXHLPZOHGJVPV-UHFFFAOYSA-N -1 2 381.435 3.155 20 0 GGADLM Cc1cc(C)c(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)cc1C(=O)[O-] ZINC000444420062 567805443 /nfs/dbraw/zinc/80/54/43/567805443.db2.gz CEZRXORSTHAORP-UHFFFAOYSA-N -1 2 377.447 3.254 20 0 GGADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000444417630 567805529 /nfs/dbraw/zinc/80/55/29/567805529.db2.gz GKHIEWMKCOMWRS-UHFFFAOYSA-N -1 2 377.447 3.200 20 0 GGADLM Cc1cc(C)cc(-c2cc(NS(=O)(=O)c3csc(C(=O)[O-])c3)[nH]n2)c1 ZINC000444419496 567805551 /nfs/dbraw/zinc/80/55/51/567805551.db2.gz OCIXLKXOYCVQAW-UHFFFAOYSA-N -1 2 377.447 3.254 20 0 GGADLM Cc1ccc(-c2cc(NS(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)n[nH]2)s1 ZINC000444421819 567805755 /nfs/dbraw/zinc/80/57/55/567805755.db2.gz VEPTZYTVJIWYKV-UHFFFAOYSA-N -1 2 381.410 3.085 20 0 GGADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000444421250 567805848 /nfs/dbraw/zinc/80/58/48/567805848.db2.gz GTMLXGNZQRYRGT-UHFFFAOYSA-N -1 2 381.410 3.085 20 0 GGADLM Cc1ccc(-n2cc(S(=O)(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)cn2)cc1 ZINC000078938699 570510176 /nfs/dbraw/zinc/51/01/76/570510176.db2.gz ZCZAVMZFXHHLKM-UHFFFAOYSA-N -1 2 399.472 3.344 20 0 GGADLM COc1ccc(-c2cc3[nH]c(CS[C@H](C)C(=O)[O-])nc(=O)c3s2)cc1 ZINC000739877225 597070616 /nfs/dbraw/zinc/07/06/16/597070616.db2.gz LMKJXROFRGKOOO-SECBINFHSA-N -1 2 376.459 3.367 20 0 GGADLM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000821539321 598198627 /nfs/dbraw/zinc/19/86/27/598198627.db2.gz GWOXYFJXGVCOIJ-QGZVFWFLSA-N -1 2 391.431 3.468 20 0 GGADLM CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)cc1 ZINC000737005052 599813065 /nfs/dbraw/zinc/81/30/65/599813065.db2.gz ZXYBBBUVHBARDT-UHFFFAOYSA-N -1 2 397.474 3.376 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1OCc1ccccc1 ZINC000591682762 599852197 /nfs/dbraw/zinc/85/21/97/599852197.db2.gz IOBATYUOEWRWHY-UHFFFAOYSA-N -1 2 398.440 3.468 20 0 GGADLM Cc1ccc(-c2nsc(NS(=O)(=O)c3cccc(C)c3C(=O)[O-])n2)s1 ZINC000738495783 599865032 /nfs/dbraw/zinc/86/50/32/599865032.db2.gz YEXSFOICNXZYFW-UHFFFAOYSA-N -1 2 395.487 3.382 20 0 GGADLM Cc1ccc(-c2nsc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])n2)s1 ZINC000738495167 599865211 /nfs/dbraw/zinc/86/52/11/599865211.db2.gz PLYMRABZWUYOBY-UHFFFAOYSA-N -1 2 399.475 3.284 20 0 GGADLM COc1ccc(Br)cc1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC000035306419 599873065 /nfs/dbraw/zinc/87/30/65/599873065.db2.gz MRLVDAWNJHHBAB-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM COc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(C(=O)[O-])c1 ZINC000738041941 599924470 /nfs/dbraw/zinc/92/44/70/599924470.db2.gz PRMJIJDAFWOWAA-UHFFFAOYSA-N -1 2 393.314 3.352 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)n(-c2ccccc2C)n1 ZINC000738463843 599966980 /nfs/dbraw/zinc/96/69/80/599966980.db2.gz PTRQJKJAABBUPJ-UHFFFAOYSA-N -1 2 385.445 3.297 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)n(Cc2ccccc2)n1 ZINC000738464014 599967099 /nfs/dbraw/zinc/96/70/99/599967099.db2.gz VJIQCQPHXDGUBZ-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485025037 600005641 /nfs/dbraw/zinc/00/56/41/600005641.db2.gz NQIRZTJJCNAGQM-UHFFFAOYSA-N -1 2 393.314 3.352 20 0 GGADLM COc1ccc2nc(NS(=O)(=O)c3cc(Cl)ccc3C(=O)[O-])sc2c1 ZINC000738079292 600049980 /nfs/dbraw/zinc/04/99/80/600049980.db2.gz LTXSOSGSOIKMDR-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000520238116 600051271 /nfs/dbraw/zinc/05/12/71/600051271.db2.gz SUIXYJNOCPJWJC-UHFFFAOYSA-N -1 2 391.426 3.187 20 0 GGADLM Cc1ccc(Cl)c(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c1Cl ZINC000738281835 600053483 /nfs/dbraw/zinc/05/34/83/600053483.db2.gz YXYBBZOYMIJYOR-UHFFFAOYSA-N -1 2 381.262 3.186 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n(-c2cccc(Cl)c2)n1 ZINC000738240347 600053491 /nfs/dbraw/zinc/05/34/91/600053491.db2.gz NWUJIMRPOCRZLK-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n(-c2ccc(Cl)cc2)n1 ZINC000738238923 600053721 /nfs/dbraw/zinc/05/37/21/600053721.db2.gz CCAYVKPGLQBIKR-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM O=C([O-])c1sc2ccccc2c1S(=O)(=O)Nc1cccc2c1OCCO2 ZINC000740281752 600053771 /nfs/dbraw/zinc/05/37/71/600053771.db2.gz XOJZFTTYOAQMNE-UHFFFAOYSA-N -1 2 391.426 3.172 20 0 GGADLM CC[C@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)sc2C1 ZINC000736939610 600055732 /nfs/dbraw/zinc/05/57/32/600055732.db2.gz PEPHUZBTVQIRDR-VIFPVBQESA-N -1 2 384.454 3.296 20 0 GGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ncc(-c2ccccc2)s1 ZINC000740145229 600056117 /nfs/dbraw/zinc/05/61/17/600056117.db2.gz PNCGUBLBZXFFEE-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM O=C([O-])c1sccc1S(=O)(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000740288210 600058557 /nfs/dbraw/zinc/05/85/57/600058557.db2.gz BUYZWFHMJXRIAX-UHFFFAOYSA-N -1 2 383.838 3.086 20 0 GGADLM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000737692384 600097510 /nfs/dbraw/zinc/09/75/10/600097510.db2.gz FGNMBFHPAXWXIS-UHFFFAOYSA-N -1 2 395.408 3.235 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)c1 ZINC000740235675 600100365 /nfs/dbraw/zinc/10/03/65/600100365.db2.gz JAGSOEIXMSDYAB-GOSISDBHSA-N -1 2 397.456 3.308 20 0 GGADLM O=C([O-])Nc1cc(NS(=O)(=O)c2ccc(Cl)nc2Cl)ccc1F ZINC000740011443 600101668 /nfs/dbraw/zinc/10/16/68/600101668.db2.gz CTYSYEMOUCZQSU-UHFFFAOYSA-N -1 2 380.184 3.418 20 0 GGADLM Cc1nc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])sc1C ZINC000738864738 600126744 /nfs/dbraw/zinc/12/67/44/600126744.db2.gz BAXRYOQPCVEWLC-UHFFFAOYSA-N -1 2 380.369 3.278 20 0 GGADLM CCc1csc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n1 ZINC000737274973 600126896 /nfs/dbraw/zinc/12/68/96/600126896.db2.gz PNYIHIYZGPSLGB-UHFFFAOYSA-N -1 2 380.369 3.223 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(C(=O)[O-])[nH]1 ZINC000163448284 600175954 /nfs/dbraw/zinc/17/59/54/600175954.db2.gz UNDRSQAMYKWXFJ-UHFFFAOYSA-N -1 2 393.646 3.238 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(C(=O)[O-])[nH]1 ZINC000325676145 600176578 /nfs/dbraw/zinc/17/65/78/600176578.db2.gz NCRZOPAMEWSBJY-UHFFFAOYSA-N -1 2 382.747 3.494 20 0 GGADLM CN(C)c1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737374124 600232249 /nfs/dbraw/zinc/23/22/49/600232249.db2.gz MRSQBNNZCACKRF-UHFFFAOYSA-N -1 2 390.795 3.183 20 0 GGADLM CC(C)COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000736448083 600233311 /nfs/dbraw/zinc/23/33/11/600233311.db2.gz GPQKEQBOJDNAMT-UHFFFAOYSA-N -1 2 385.388 3.499 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2Cl)c(OC(F)F)c1 ZINC000740155807 600237785 /nfs/dbraw/zinc/23/77/85/600237785.db2.gz UUUAOUPCGHSKAI-UHFFFAOYSA-N -1 2 377.752 3.440 20 0 GGADLM CCOc1ccc2nc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)sc2c1 ZINC000737211888 600243958 /nfs/dbraw/zinc/24/39/58/600243958.db2.gz XUNCJNRGIQWBAQ-UHFFFAOYSA-N -1 2 392.458 3.123 20 0 GGADLM CC(C)COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000735028874 600253402 /nfs/dbraw/zinc/25/34/02/600253402.db2.gz QQHSBIASBRVYQJ-UHFFFAOYSA-N -1 2 384.841 3.269 20 0 GGADLM Cc1cc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c(C(=O)[O-])[nH]1 ZINC000738444791 600253853 /nfs/dbraw/zinc/25/38/53/600253853.db2.gz XZTNBYBPMNCLGO-UHFFFAOYSA-N -1 2 389.209 3.426 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cnc1Cl ZINC000738477063 600299432 /nfs/dbraw/zinc/29/94/32/600299432.db2.gz GJQBCRJCPIHSHJ-UHFFFAOYSA-N -1 2 384.841 3.330 20 0 GGADLM Cc1nc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)sc1C ZINC000738864897 600361083 /nfs/dbraw/zinc/36/10/83/600361083.db2.gz KDBCHNPWQCYYAJ-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM O=C([O-])CCCOc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000739686878 600489305 /nfs/dbraw/zinc/48/93/05/600489305.db2.gz CXYAEABRXLZVHV-UHFFFAOYSA-N -1 2 375.855 3.446 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccccc2)ns1 ZINC000738546185 600576810 /nfs/dbraw/zinc/57/68/10/600576810.db2.gz LNNMDMBSLWRXOZ-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM Cc1ccnc(-c2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])s3)c2)n1 ZINC000738792449 600612877 /nfs/dbraw/zinc/61/28/77/600612877.db2.gz IONAIMCCYZKWIK-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM Cc1ccnc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2)n1 ZINC000738793509 600613050 /nfs/dbraw/zinc/61/30/50/600613050.db2.gz XDRABUSCEQDXIW-UHFFFAOYSA-N -1 2 387.392 3.090 20 0 GGADLM CCCc1ccc(-c2ccc(NS(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2)cc1 ZINC000829566634 600684281 /nfs/dbraw/zinc/68/42/81/600684281.db2.gz PHBASUNPEVJZFB-UHFFFAOYSA-N -1 2 399.472 3.388 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1 ZINC000525238728 600687258 /nfs/dbraw/zinc/68/72/58/600687258.db2.gz HFOKFTOSICAZOU-UHFFFAOYSA-N -1 2 391.836 3.084 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(F)c(Br)c2)c1 ZINC000317382795 600687274 /nfs/dbraw/zinc/68/72/74/600687274.db2.gz FTTVPXPXTQIHNI-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)cc1C(=O)[O-] ZINC000730204137 600816397 /nfs/dbraw/zinc/81/63/97/600816397.db2.gz TWSQHUYRWHKPLJ-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM COc1ccc2nc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)sc2c1 ZINC000326705417 600826990 /nfs/dbraw/zinc/82/69/90/600826990.db2.gz XKXMEIMBWDXNFJ-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(Cc2ccccc2)n1 ZINC000832899135 600827892 /nfs/dbraw/zinc/82/78/92/600827892.db2.gz DNHWCDRUGGVCKK-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000832956538 600830671 /nfs/dbraw/zinc/83/06/71/600830671.db2.gz MGNFDEKDVXNRAD-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1cccc(Cn2nccc2NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000738721968 600892482 /nfs/dbraw/zinc/89/24/82/600892482.db2.gz QNLWSPSIRMPBLS-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000738605173 600892739 /nfs/dbraw/zinc/89/27/39/600892739.db2.gz QEBBLVNXFNLUQJ-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000172605593 600900133 /nfs/dbraw/zinc/90/01/33/600900133.db2.gz VDEFOQVESLNPNM-UHFFFAOYSA-N -1 2 385.445 3.035 20 0 GGADLM COc1ccc2nc(NS(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)sc2c1 ZINC000832510442 600974996 /nfs/dbraw/zinc/97/49/96/600974996.db2.gz MVFGDBQVLYTDLE-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM Cc1cc(Br)c(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)s1 ZINC000832858987 600976971 /nfs/dbraw/zinc/97/69/71/600976971.db2.gz SVIBEPYKELQBRF-UHFFFAOYSA-N -1 2 397.297 3.083 20 0 GGADLM Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833060440 600979996 /nfs/dbraw/zinc/97/99/96/600979996.db2.gz JYRVFVPNIVSRCK-UHFFFAOYSA-N -1 2 385.873 3.161 20 0 GGADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1nc2ccc(C)cc2s1 ZINC000831950153 601200869 /nfs/dbraw/zinc/20/08/69/601200869.db2.gz MGQFREFYLZRNNM-UHFFFAOYSA-N -1 2 384.460 3.174 20 0 GGADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1nc2c(cccc2C)s1 ZINC000831950434 601201104 /nfs/dbraw/zinc/20/11/04/601201104.db2.gz UDNBNTWYOUMZJB-UHFFFAOYSA-N -1 2 384.460 3.174 20 0 GGADLM Cc1nc(NS(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000833003881 601228241 /nfs/dbraw/zinc/22/82/41/601228241.db2.gz ZRDUVIJGTAWBPS-UHFFFAOYSA-N -1 2 382.463 3.179 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)cc1 ZINC000013059962 601356681 /nfs/dbraw/zinc/35/66/81/601356681.db2.gz YKRPZPBLEAYQFP-UHFFFAOYSA-N -1 2 384.438 3.370 20 0 GGADLM COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])s1 ZINC000035426832 601357520 /nfs/dbraw/zinc/35/75/20/601357520.db2.gz PVBHGJQILXTRGM-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000832208678 601358979 /nfs/dbraw/zinc/35/89/79/601358979.db2.gz MFHHVMLAYHMMSE-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM O=C([O-])c1cc(-c2csc(NS(=O)(=O)/C=C\c3ccc(F)cc3)n2)c[nH]1 ZINC000833295000 601359451 /nfs/dbraw/zinc/35/94/51/601359451.db2.gz VTMRIFWZDJQOQD-WAYWQWQTSA-N -1 2 393.421 3.388 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(C)n1 ZINC000832973998 601361950 /nfs/dbraw/zinc/36/19/50/601361950.db2.gz JCZZAFXRBHIBTL-UHFFFAOYSA-N -1 2 389.408 3.034 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccccc2)ns1 ZINC000832868951 601362058 /nfs/dbraw/zinc/36/20/58/601362058.db2.gz WDSAJKGCJNBTBF-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)ccc1F ZINC000833306259 601362110 /nfs/dbraw/zinc/36/21/10/601362110.db2.gz JXNZZOHLICLCPC-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(F)cc(Cl)c2O)cc1OC ZINC000832235410 601386176 /nfs/dbraw/zinc/38/61/76/601386176.db2.gz KCRVMNQIHLLSAA-ZDUSSCGKSA-N -1 2 397.786 3.148 20 0 GGADLM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(F)cc(Cl)c1O ZINC000833150965 601387264 /nfs/dbraw/zinc/38/72/64/601387264.db2.gz YBMQEBSWIQQRBX-OAHLLOKOSA-N -1 2 376.771 3.092 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(F)cc1F ZINC000833306228 601474473 /nfs/dbraw/zinc/47/44/73/601474473.db2.gz HALVRXKWIOMMCY-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(OC3CCC3)c(F)c2)c1 ZINC000748644155 601475790 /nfs/dbraw/zinc/47/57/90/601475790.db2.gz FXPYTYYSUIXTHO-UHFFFAOYSA-N -1 2 383.372 3.395 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1OCCC(C)C ZINC000832950246 601485488 /nfs/dbraw/zinc/48/54/88/601485488.db2.gz HDFXXNDNQKYUAP-UHFFFAOYSA-N -1 2 384.479 3.375 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)[nH]n1 ZINC000754826350 601485842 /nfs/dbraw/zinc/48/58/42/601485842.db2.gz HSXNCDBUFDBOEL-UHFFFAOYSA-N -1 2 393.371 3.162 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)s1 ZINC000833323373 601492783 /nfs/dbraw/zinc/49/27/83/601492783.db2.gz IKTVMWUITYEQKA-UHFFFAOYSA-N -1 2 391.430 3.175 20 0 GGADLM CCCCCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)s1 ZINC000829373337 601502208 /nfs/dbraw/zinc/50/22/08/601502208.db2.gz SFNOGXQRFCSNKI-UHFFFAOYSA-N -1 2 383.495 3.387 20 0 GGADLM CCCc1nnc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000829574232 601502278 /nfs/dbraw/zinc/50/22/78/601502278.db2.gz UBMHHLDFTGVZPP-UHFFFAOYSA-N -1 2 395.384 3.008 20 0 GGADLM CCCCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000829441092 601502284 /nfs/dbraw/zinc/50/22/84/601502284.db2.gz QYAFWAWWDQJCFG-UHFFFAOYSA-N -1 2 375.859 3.033 20 0 GGADLM O=C([O-])c1sc2ccccc2c1S(=O)(=O)Nc1nnc(C2CC2)s1 ZINC000833347489 601502759 /nfs/dbraw/zinc/50/27/59/601502759.db2.gz HONXDJJYTVXCBI-UHFFFAOYSA-N -1 2 381.460 3.129 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1C(=O)[O-] ZINC000832468475 601503286 /nfs/dbraw/zinc/50/32/86/601503286.db2.gz DTAGYVMUDZPHRM-UHFFFAOYSA-N -1 2 397.478 3.093 20 0 GGADLM CCCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)s1 ZINC000829573637 601503451 /nfs/dbraw/zinc/50/34/51/601503451.db2.gz CMYBTTKTLUFTIE-UHFFFAOYSA-N -1 2 396.277 3.296 20 0 GGADLM CC(C)c1nnc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)s1 ZINC000827168748 601503493 /nfs/dbraw/zinc/50/34/93/601503493.db2.gz WLGCRYSYHFRLQB-UHFFFAOYSA-N -1 2 396.277 3.467 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)cc1C(=O)[O-] ZINC000832956731 601503718 /nfs/dbraw/zinc/50/37/18/601503718.db2.gz YLJVSVLRWDLYJW-UHFFFAOYSA-N -1 2 395.506 3.468 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)ccc1F ZINC000833306441 601503910 /nfs/dbraw/zinc/50/39/10/601503910.db2.gz SZHOFHLAUQXTDF-UHFFFAOYSA-N -1 2 399.469 3.299 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)c1C(=O)[O-] ZINC000832972962 601503940 /nfs/dbraw/zinc/50/39/40/601503940.db2.gz RPWCVDMANZTNDS-UHFFFAOYSA-N -1 2 381.479 3.393 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)ccc1F ZINC000833306383 601503955 /nfs/dbraw/zinc/50/39/55/601503955.db2.gz PIDWQUQDFGPPEL-UHFFFAOYSA-N -1 2 385.442 3.224 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nnc(C2CCCCC2)s1 ZINC000832868007 601503974 /nfs/dbraw/zinc/50/39/74/601503974.db2.gz IJPFOUYTKGOCLA-UHFFFAOYSA-N -1 2 381.479 3.393 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)c1 ZINC000833318461 601504009 /nfs/dbraw/zinc/50/40/09/601504009.db2.gz PQTIHIJUOOPYRN-UHFFFAOYSA-N -1 2 399.469 3.299 20 0 GGADLM Cc1ccnc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1 ZINC000441726194 601558617 /nfs/dbraw/zinc/55/86/17/601558617.db2.gz GMVHSXIWYUVJEZ-UHFFFAOYSA-N -1 2 391.430 3.138 20 0 GGADLM CSc1ccncc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000832790795 601577501 /nfs/dbraw/zinc/57/75/01/601577501.db2.gz ULTXEDPAIUDRMY-UHFFFAOYSA-N -1 2 392.380 3.321 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)[nH]n1 ZINC000832973562 601604912 /nfs/dbraw/zinc/60/49/12/601604912.db2.gz GTZHNENIDUVDRP-DHZHZOJOSA-N -1 2 383.429 3.284 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1nc2c(ccc3ccccc23)s1 ZINC000833346729 601767637 /nfs/dbraw/zinc/76/76/37/601767637.db2.gz UXRJCRGCYPNYGY-UHFFFAOYSA-N -1 2 391.455 3.405 20 0 GGADLM CC(C)Cn1ccc2cc(NS(=O)(=O)c3csnc3C(=O)[O-])ccc21 ZINC000826917931 601768941 /nfs/dbraw/zinc/76/89/41/601768941.db2.gz ORUQXNKXPKCPLP-UHFFFAOYSA-N -1 2 379.463 3.253 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000833346237 601769369 /nfs/dbraw/zinc/76/93/69/601769369.db2.gz LYTFQJLDSRVEQA-UHFFFAOYSA-N -1 2 395.487 3.131 20 0 GGADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC000321190393 601771139 /nfs/dbraw/zinc/77/11/39/601771139.db2.gz SHKVSDOUSJACMF-UHFFFAOYSA-N -1 2 378.834 3.144 20 0 GGADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000321370138 601771844 /nfs/dbraw/zinc/77/18/44/601771844.db2.gz ZHUHHKMZQKAECS-UHFFFAOYSA-N -1 2 378.834 3.144 20 0 GGADLM Cn1cc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1C(=O)[O-] ZINC000833051294 601784904 /nfs/dbraw/zinc/78/49/04/601784904.db2.gz SCRLJCWKBVFHTH-UHFFFAOYSA-N -1 2 382.747 3.196 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnccc2-c2cccc(F)c2)s1 ZINC000833324162 601795785 /nfs/dbraw/zinc/79/57/85/601795785.db2.gz JEPJUQJLZBESQO-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)ccc1Cl ZINC000012649011 601826376 /nfs/dbraw/zinc/82/63/76/601826376.db2.gz RJGCRPPFXAAZOS-UHFFFAOYSA-N -1 2 389.820 3.296 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000833345972 601830954 /nfs/dbraw/zinc/83/09/54/601830954.db2.gz IKNCHZWFBFMTCK-UHFFFAOYSA-N -1 2 376.415 3.434 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])n(C)n1 ZINC000832974460 601847967 /nfs/dbraw/zinc/84/79/67/601847967.db2.gz NDPZVTRXMFWYKY-UHFFFAOYSA-N -1 2 389.408 3.034 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccn([C@H](C)c2ccccc2)n1 ZINC000675285368 601854920 /nfs/dbraw/zinc/85/49/20/601854920.db2.gz QQFCBWYDVVRTJH-CQSZACIVSA-N -1 2 385.445 3.300 20 0 GGADLM CCC(C)(C)c1ccc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000828612532 602104350 /nfs/dbraw/zinc/10/43/50/602104350.db2.gz YDLYOONBRZWESH-UHFFFAOYSA-N -1 2 397.522 3.434 20 0 GGADLM Cc1c(C)c(C)c(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)c(C)c1C ZINC000832853662 602105279 /nfs/dbraw/zinc/10/52/79/602105279.db2.gz REHXEVZSKXYAOU-UHFFFAOYSA-N -1 2 397.522 3.288 20 0 GGADLM Cc1ccsc1S(=O)(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000832984107 602124826 /nfs/dbraw/zinc/12/48/26/602124826.db2.gz JKAHLLFKLLXYJU-UHFFFAOYSA-N -1 2 377.443 3.474 20 0 GGADLM O=C([O-])COc1ccc(NS(=O)(=O)c2cc(F)ccc2F)c2ccccc12 ZINC000833259809 602125274 /nfs/dbraw/zinc/12/52/74/602125274.db2.gz ZQKQJOMUJHRRRU-UHFFFAOYSA-N -1 2 393.367 3.382 20 0 GGADLM Cn1c2ccccc2c2cc(S(=O)(=O)Nc3csnc3C(=O)[O-])ccc21 ZINC000833040828 602155637 /nfs/dbraw/zinc/15/56/37/602155637.db2.gz JXIUDMGJAVVKQK-UHFFFAOYSA-N -1 2 387.442 3.287 20 0 GGADLM Cc1[nH]c(C(=O)CS(=O)(=O)[C@H](C)c2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC000832843465 602182480 /nfs/dbraw/zinc/18/24/80/602182480.db2.gz MRKYICJCPZVPHX-LLVKDONJSA-N -1 2 383.853 3.342 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2cc(CCc3ccccc3)n[nH]2)c1C(=O)[O-] ZINC000832972683 602306872 /nfs/dbraw/zinc/30/68/72/602306872.db2.gz JWDYKMNANPISOY-UHFFFAOYSA-N -1 2 385.445 3.002 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2cc(C3CCCCCC3)n[nH]2)cc1C(=O)[O-] ZINC000832468512 602308017 /nfs/dbraw/zinc/30/80/17/602308017.db2.gz FZSFBCFOBPIEAQ-UHFFFAOYSA-N -1 2 393.465 3.355 20 0 GGADLM COc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000755255388 602308665 /nfs/dbraw/zinc/30/86/65/602308665.db2.gz CHRBIHQSNNZBTH-UHFFFAOYSA-N -1 2 392.216 3.207 20 0 GGADLM O=C([O-])C[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CCO1 ZINC000833217674 604303005 /nfs/dbraw/zinc/30/30/05/604303005.db2.gz KSWICFFBQILYFI-AWEZNQCLSA-N -1 2 375.808 3.028 20 0 GGADLM Cc1cc(C)cc(-c2nnc(NS(=O)(=O)c3csc(C(=O)[O-])c3)s2)c1 ZINC000832874260 604402481 /nfs/dbraw/zinc/40/24/81/604402481.db2.gz GBEMCWYIEXPOCB-UHFFFAOYSA-N -1 2 395.487 3.382 20 0 GGADLM CCc1noc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000755257911 604504200 /nfs/dbraw/zinc/50/42/00/604504200.db2.gz NQLXHRZBGAMUKR-UHFFFAOYSA-N -1 2 379.221 3.351 20 0 GGADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c2cccnc12 ZINC000832413253 604621447 /nfs/dbraw/zinc/62/14/47/604621447.db2.gz MJCWDPSUNSRZGA-UHFFFAOYSA-N -1 2 394.355 3.021 20 0 GGADLM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832923968 604625263 /nfs/dbraw/zinc/62/52/63/604625263.db2.gz WEJPMGYRMXWYPK-UHFFFAOYSA-N -1 2 394.396 3.288 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])[nH]n1 ZINC000833752886 604745961 /nfs/dbraw/zinc/74/59/61/604745961.db2.gz CVWMSYOJPKGYRP-UHFFFAOYSA-N -1 2 375.381 3.023 20 0 GGADLM CCc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)s1 ZINC000830259679 604806580 /nfs/dbraw/zinc/80/65/80/604806580.db2.gz CBNOBXUCFIQISX-UHFFFAOYSA-N -1 2 375.855 3.228 20 0 GGADLM O=C([O-])COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1Cl ZINC000833259792 604807466 /nfs/dbraw/zinc/80/74/66/604807466.db2.gz YJUUXENCQMGEPH-UHFFFAOYSA-N -1 2 394.207 3.397 20 0 GGADLM Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)c2C)o1 ZINC000832906948 604809187 /nfs/dbraw/zinc/80/91/87/604809187.db2.gz GEYUKFOMJPXQGK-UHFFFAOYSA-N -1 2 395.824 3.439 20 0 GGADLM Cc1sc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c(C(=O)[O-])c1C ZINC000833758125 605022749 /nfs/dbraw/zinc/02/27/49/605022749.db2.gz NTLLTIJCHJXYCM-UHFFFAOYSA-N -1 2 394.474 3.094 20 0 GGADLM Cc1cnn(-c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cccc(C)c2F)c1 ZINC000833754083 605061416 /nfs/dbraw/zinc/06/14/16/605061416.db2.gz GJTMSINHTNVXMG-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)[nH]n1 ZINC000833753592 605125885 /nfs/dbraw/zinc/12/58/85/605125885.db2.gz XALAIGCJSBRWPB-UHFFFAOYSA-N -1 2 397.456 3.302 20 0 GGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000833741383 605126536 /nfs/dbraw/zinc/12/65/36/605126536.db2.gz KRHDRAADPGQONM-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM CCn1c(=O)c2ccc(C(=O)Nc3scc(C(=O)[O-])c3C)cc2[nH]c1=S ZINC000833684298 605186250 /nfs/dbraw/zinc/18/62/50/605186250.db2.gz XBBJLXRHYYXCJT-UHFFFAOYSA-N -1 2 389.458 3.026 20 0 GGADLM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(Cl)c2O)cc1OC ZINC000833732364 605230467 /nfs/dbraw/zinc/23/04/67/605230467.db2.gz OCVMKKCVIZZITR-CYBMUJFWSA-N -1 2 379.796 3.009 20 0 GGADLM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(Cl)c2O)c(OC)c1 ZINC000833731804 605272455 /nfs/dbraw/zinc/27/24/55/605272455.db2.gz FYKUKRZQKDAWGO-CQSZACIVSA-N -1 2 379.796 3.009 20 0 GGADLM CC(C)(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(F)(F)F ZINC000833424671 605298566 /nfs/dbraw/zinc/29/85/66/605298566.db2.gz RQMGEBKJTWJSSZ-LLVKDONJSA-N -1 2 389.342 3.308 20 0 GGADLM COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccc(C(=O)[O-])s1 ZINC000833734624 605302689 /nfs/dbraw/zinc/30/26/89/605302689.db2.gz BDPMIMWJMYCOPA-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000833741505 605330815 /nfs/dbraw/zinc/33/08/15/605330815.db2.gz PNVBSZRUSYMWGW-UHFFFAOYSA-N -1 2 377.390 3.199 20 0 GGADLM CC(C)CC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])c2C1 ZINC000833484232 605343230 /nfs/dbraw/zinc/34/32/30/605343230.db2.gz VKGRPUFMMBMYAG-UHFFFAOYSA-N -1 2 395.506 3.004 20 0 GGADLM CC(C)CC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])c2C1 ZINC000833484232 605343239 /nfs/dbraw/zinc/34/32/39/605343239.db2.gz VKGRPUFMMBMYAG-UHFFFAOYSA-N -1 2 395.506 3.004 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(-c2cccs2)ns1 ZINC000833747832 605448020 /nfs/dbraw/zinc/44/80/20/605448020.db2.gz KVVJOKWXSGCIBJ-UHFFFAOYSA-N -1 2 381.460 3.074 20 0 GGADLM CC(C)COc1ccc(S(=O)(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC000833490435 605783462 /nfs/dbraw/zinc/78/34/62/605783462.db2.gz IDVPWUDWFLACAS-UHFFFAOYSA-N -1 2 389.433 3.097 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000007230565 1398635996 /nfs/dbraw/zinc/63/59/96/1398635996.db2.gz RVWKSRQJFDVHFZ-UHFFFAOYSA-N -1 2 393.392 3.366 20 0 GGADLM CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000013340788 1399078931 /nfs/dbraw/zinc/07/89/31/1399078931.db2.gz MCZCUEWCRASNEK-UHFFFAOYSA-N -1 2 383.809 3.016 20 0 GGADLM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cnc(-c4ccccc4)nc3)c1)CCC2 ZINC000055576821 1407010278 /nfs/dbraw/zinc/01/02/78/1407010278.db2.gz FXPYKQJSNDMGCZ-UHFFFAOYSA-N -1 2 395.440 3.131 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)sc1C(=O)[O-] ZINC000055583901 1407012854 /nfs/dbraw/zinc/01/28/54/1407012854.db2.gz DGIAVHOEYUHWOS-AWEZNQCLSA-N -1 2 397.474 3.113 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)sc1C(=O)[O-] ZINC000055631506 1407031135 /nfs/dbraw/zinc/03/11/35/1407031135.db2.gz LKUXTBPRGQZCKS-CQSZACIVSA-N -1 2 397.474 3.113 20 0 GGADLM CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000045774471 1404200359 /nfs/dbraw/zinc/20/03/59/1404200359.db2.gz PVUHDMKPZZWUNB-UHFFFAOYSA-N -1 2 396.490 3.038 20 0 GGADLM CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000058457457 1407831803 /nfs/dbraw/zinc/83/18/03/1407831803.db2.gz DVPYKYNTVVXWEK-UHFFFAOYSA-N -1 2 398.868 3.034 20 0 GGADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000176510320 1428344549 /nfs/dbraw/zinc/34/45/49/1428344549.db2.gz FWAUSDWBQJRDDN-UHFFFAOYSA-N -1 2 375.233 3.450 20 0 GGADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc(-c3ncco3)c2)cc1C(=O)[O-] ZINC000132755127 1416811527 /nfs/dbraw/zinc/81/15/27/1416811527.db2.gz IFDNMXZLVPEVBA-UHFFFAOYSA-N -1 2 376.365 3.288 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c(Cl)cc1F ZINC000179544729 1429421775 /nfs/dbraw/zinc/42/17/75/1429421775.db2.gz WCARAFRJWQKNFZ-UHFFFAOYSA-N -1 2 398.721 3.392 20 0 GGADLM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000826280282 1429537654 /nfs/dbraw/zinc/53/76/54/1429537654.db2.gz VXTRUYUHVNVMSZ-UHFFFAOYSA-N -1 2 392.510 3.021 20 0 GGADLM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000826280282 1429537658 /nfs/dbraw/zinc/53/76/58/1429537658.db2.gz VXTRUYUHVNVMSZ-UHFFFAOYSA-N -1 2 392.510 3.021 20 0 GGADLM Cc1csc(-c2ccc(NC(=O)c3cc(C)c4c(=O)[nH]c(=O)nc-4[n-]3)cc2)n1 ZINC000155612199 1423444979 /nfs/dbraw/zinc/44/49/79/1423444979.db2.gz HQFZMCGHYDDOMU-UHFFFAOYSA-N -1 2 393.428 3.016 20 0 GGADLM Nc1c(Cl)cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1Cl ZINC000159997774 1424560505 /nfs/dbraw/zinc/56/05/05/1424560505.db2.gz ZZLNZVSJQWPJAS-UHFFFAOYSA-N -1 2 397.186 3.353 20 0 GGADLM O=C(Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1)[C@H]1CC12CCC2 ZINC000823383745 1425384847 /nfs/dbraw/zinc/38/48/47/1425384847.db2.gz ZAIUFXLOEHXIBK-GFCCVEGCSA-N -1 2 399.505 3.139 20 0 GGADLM O=C(Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1)[C@H]1CC12CCC2 ZINC000823383745 1425384852 /nfs/dbraw/zinc/38/48/52/1425384852.db2.gz ZAIUFXLOEHXIBK-GFCCVEGCSA-N -1 2 399.505 3.139 20 0 GGADLM CC(C)Oc1c(Cl)cccc1NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735904340 1425548118 /nfs/dbraw/zinc/54/81/18/1425548118.db2.gz MCLQXQBGUAYBCM-UHFFFAOYSA-N -1 2 393.856 3.108 20 0 GGADLM CC(C)Oc1c(Cl)cccc1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735904340 1425548121 /nfs/dbraw/zinc/54/81/21/1425548121.db2.gz MCLQXQBGUAYBCM-UHFFFAOYSA-N -1 2 393.856 3.108 20 0 GGADLM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000737956070 1425570582 /nfs/dbraw/zinc/57/05/82/1425570582.db2.gz UEARMFIQVPHUQN-UHFFFAOYSA-N -1 2 397.851 3.220 20 0 GGADLM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000737956070 1425570588 /nfs/dbraw/zinc/57/05/88/1425570588.db2.gz UEARMFIQVPHUQN-UHFFFAOYSA-N -1 2 397.851 3.220 20 0 GGADLM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3ccc(Cl)nc3Cl)ccc12 ZINC000171658118 1425777787 /nfs/dbraw/zinc/77/77/87/1425777787.db2.gz KORIPHYMWRJNPE-UHFFFAOYSA-N -1 2 386.216 3.369 20 0 GGADLM COc1nc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc2ccccc21 ZINC000821911435 1425938583 /nfs/dbraw/zinc/93/85/83/1425938583.db2.gz SBCKQOXWCUEUNJ-LBPRGKRZSA-N -1 2 375.388 3.342 20 0 GGADLM Cc1nc(C(=O)Nc2ccccc2-c2nnn[n-]2)nn1-c1ccccc1C(C)C ZINC000737468285 1426907873 /nfs/dbraw/zinc/90/78/73/1426907873.db2.gz SRDXDMYMLGPFNS-UHFFFAOYSA-N -1 2 388.435 3.132 20 0 GGADLM Cc1nc(C(=O)Nc2ccccc2-c2nn[n-]n2)nn1-c1ccccc1C(C)C ZINC000737468285 1426907879 /nfs/dbraw/zinc/90/78/79/1426907879.db2.gz SRDXDMYMLGPFNS-UHFFFAOYSA-N -1 2 388.435 3.132 20 0 GGADLM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1nc(-c2ccc(F)cc2)ns1 ZINC000737852231 1427053408 /nfs/dbraw/zinc/05/34/08/1427053408.db2.gz FKQKJJDYQLWMLB-UHFFFAOYSA-N -1 2 395.423 3.096 20 0 GGADLM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1nc(-c2ccc(F)cc2)ns1 ZINC000737852231 1427053413 /nfs/dbraw/zinc/05/34/13/1427053413.db2.gz FKQKJJDYQLWMLB-UHFFFAOYSA-N -1 2 395.423 3.096 20 0 GGADLM Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826323244 1427594046 /nfs/dbraw/zinc/59/40/46/1427594046.db2.gz WLCKTEULWHAUAZ-UHFFFAOYSA-N -1 2 398.473 3.099 20 0 GGADLM Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826323244 1427594048 /nfs/dbraw/zinc/59/40/48/1427594048.db2.gz WLCKTEULWHAUAZ-UHFFFAOYSA-N -1 2 398.473 3.099 20 0 GGADLM O=C(Nc1cc(Br)cc(Cl)c1O)c1cccc(-c2nnn[n-]2)c1 ZINC000826451472 1427826365 /nfs/dbraw/zinc/82/63/65/1427826365.db2.gz IETQHJFKNXDUHK-UHFFFAOYSA-N -1 2 394.616 3.241 20 0 GGADLM O=C(Nc1cc(Br)cc(Cl)c1O)c1cccc(-c2nn[n-]n2)c1 ZINC000826451472 1427826370 /nfs/dbraw/zinc/82/63/70/1427826370.db2.gz IETQHJFKNXDUHK-UHFFFAOYSA-N -1 2 394.616 3.241 20 0 GGADLM CSCc1cccc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826228948 1427915649 /nfs/dbraw/zinc/91/56/49/1427915649.db2.gz HWRBFXLLUQNGKX-UHFFFAOYSA-N -1 2 395.897 3.184 20 0 GGADLM CSCc1cccc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826228948 1427915652 /nfs/dbraw/zinc/91/56/52/1427915652.db2.gz HWRBFXLLUQNGKX-UHFFFAOYSA-N -1 2 395.897 3.184 20 0 GGADLM Cc1cc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000184612119 1430919224 /nfs/dbraw/zinc/91/92/24/1430919224.db2.gz QLQPNHGNBAFUTG-UHFFFAOYSA-N -1 2 398.728 3.257 20 0 GGADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000184656232 1430932066 /nfs/dbraw/zinc/93/20/66/1430932066.db2.gz HCMCWXKCOBEWFZ-CYBMUJFWSA-N -1 2 393.509 3.220 20 0 GGADLM C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cn1 ZINC000187724714 1431804120 /nfs/dbraw/zinc/80/41/20/1431804120.db2.gz ZUDSALMEGPILRA-LBPRGKRZSA-N -1 2 389.477 3.232 20 0 GGADLM C[C@H](C1CC1)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cn1 ZINC000187724732 1431804167 /nfs/dbraw/zinc/80/41/67/1431804167.db2.gz ZUDSALMEGPILRA-GFCCVEGCSA-N -1 2 389.477 3.232 20 0 GGADLM CCn1cc(S(=O)(=O)Nc2cccnc2-c2ccc(C)s2)cc1C(=O)[O-] ZINC000189747483 1432223162 /nfs/dbraw/zinc/22/31/62/1432223162.db2.gz JNWRTRACJWXYTO-UHFFFAOYSA-N -1 2 391.474 3.439 20 0 GGADLM COC(=O)c1sc2[nH]c(C[N@H+](C)[C@@H]3C[C@](C)(OC)C3(C)C)nc(=O)c2c1C ZINC000253550061 1433869008 /nfs/dbraw/zinc/86/90/08/1433869008.db2.gz OQJTUMVDCMGOLX-WYRIXSBYSA-N -1 2 393.509 3.127 20 0 GGADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1C ZINC000269307725 1434621043 /nfs/dbraw/zinc/62/10/43/1434621043.db2.gz USQCBPIQGXTBGX-UHFFFAOYSA-N -1 2 391.371 3.038 20 0 GGADLM O=S(=O)(Nc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000826493130 1441502776 /nfs/dbraw/zinc/50/27/76/1441502776.db2.gz VBJAVKMYWQEVEM-UHFFFAOYSA-N -1 2 389.440 3.239 20 0 GGADLM O=S(=O)(Nc1cc(-c2nnn[n-]2)ccc1O)c1ccccc1-c1ccccc1 ZINC000823583125 1442073352 /nfs/dbraw/zinc/07/33/52/1442073352.db2.gz HWYBVINWCUZISG-UHFFFAOYSA-N -1 2 393.428 3.040 20 0 GGADLM O=S(=O)(Nc1cc(-c2nn[n-]n2)ccc1O)c1ccccc1-c1ccccc1 ZINC000823583125 1442073353 /nfs/dbraw/zinc/07/33/53/1442073353.db2.gz HWYBVINWCUZISG-UHFFFAOYSA-N -1 2 393.428 3.040 20 0 GGADLM Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826322819 1442277901 /nfs/dbraw/zinc/27/79/01/1442277901.db2.gz CQCSOEKZBCAYEH-UHFFFAOYSA-N -1 2 398.473 3.099 20 0 GGADLM Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826322819 1442277906 /nfs/dbraw/zinc/27/79/06/1442277906.db2.gz CQCSOEKZBCAYEH-UHFFFAOYSA-N -1 2 398.473 3.099 20 0 GGADLM O=S(=O)(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(F)ccc1Cl ZINC000738345910 1443210874 /nfs/dbraw/zinc/21/08/74/1443210874.db2.gz RCZFZEAQFROYGW-UHFFFAOYSA-N -1 2 388.211 3.113 20 0 GGADLM O=S(=O)(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(F)ccc1Cl ZINC000738345910 1443210876 /nfs/dbraw/zinc/21/08/76/1443210876.db2.gz RCZFZEAQFROYGW-UHFFFAOYSA-N -1 2 388.211 3.113 20 0 GGADLM Cc1cc(C)cc(-c2nnc(NC(=O)c3sccc3-c3nnn[n-]3)s2)c1 ZINC000737251192 1443295896 /nfs/dbraw/zinc/29/58/96/1443295896.db2.gz BUHGOWUYLVEWEW-UHFFFAOYSA-N -1 2 383.462 3.316 20 0 GGADLM Cc1cc(C)cc(-c2nnc(NC(=O)c3sccc3-c3nn[n-]n3)s2)c1 ZINC000737251192 1443295901 /nfs/dbraw/zinc/29/59/01/1443295901.db2.gz BUHGOWUYLVEWEW-UHFFFAOYSA-N -1 2 383.462 3.316 20 0 GGADLM Cc1ccc(-c2nsc(NC(=O)c3cc(-c4nnn[n-]4)cs3)n2)s1 ZINC000822224051 1446269193 /nfs/dbraw/zinc/26/91/93/1446269193.db2.gz UKVIIXJKPJTGKG-UHFFFAOYSA-N -1 2 375.464 3.069 20 0 GGADLM Cc1ccc(-c2nsc(NC(=O)c3cc(-c4nn[n-]n4)cs3)n2)s1 ZINC000822224051 1446269197 /nfs/dbraw/zinc/26/91/97/1446269197.db2.gz UKVIIXJKPJTGKG-UHFFFAOYSA-N -1 2 375.464 3.069 20 0 GGADLM O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1ccc(F)cc1O ZINC000826459871 1446638745 /nfs/dbraw/zinc/63/87/45/1446638745.db2.gz COIYKOGSRZBSBQ-UHFFFAOYSA-N -1 2 396.407 3.011 20 0 GGADLM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ccc(F)cc1O ZINC000826459871 1446638747 /nfs/dbraw/zinc/63/87/47/1446638747.db2.gz COIYKOGSRZBSBQ-UHFFFAOYSA-N -1 2 396.407 3.011 20 0 GGADLM Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826330626 1446889573 /nfs/dbraw/zinc/88/95/73/1446889573.db2.gz BEULXYJQYKPRTE-ZDUSSCGKSA-N -1 2 377.427 3.351 20 0 GGADLM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc(-c2ccsc2)ns1 ZINC000737801242 1449132481 /nfs/dbraw/zinc/13/24/81/1449132481.db2.gz MWAQQVRQBLNASG-AATRIKPKSA-N -1 2 381.446 3.099 20 0 GGADLM CCCCCc1nnc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736451917 1449428757 /nfs/dbraw/zinc/42/87/57/1449428757.db2.gz ROXOGYZPCJDACL-UHFFFAOYSA-N -1 2 389.510 3.182 20 0 GGADLM CCCCCc1nnc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736451917 1449428758 /nfs/dbraw/zinc/42/87/58/1449428758.db2.gz ROXOGYZPCJDACL-UHFFFAOYSA-N -1 2 389.510 3.182 20 0 GGADLM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000823078458 1449541654 /nfs/dbraw/zinc/54/16/54/1449541654.db2.gz NQFAGPZOWHRESY-UHFFFAOYSA-N -1 2 397.851 3.220 20 0 GGADLM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000823078458 1449541661 /nfs/dbraw/zinc/54/16/61/1449541661.db2.gz NQFAGPZOWHRESY-UHFFFAOYSA-N -1 2 397.851 3.220 20 0 GGADLM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1nc(-c2ccsc2)ns1 ZINC000737853581 1449812401 /nfs/dbraw/zinc/81/24/01/1449812401.db2.gz NPKNCHDQUFBPMM-UHFFFAOYSA-N -1 2 383.462 3.018 20 0 GGADLM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1nc(-c2ccsc2)ns1 ZINC000737853581 1449812406 /nfs/dbraw/zinc/81/24/06/1449812406.db2.gz NPKNCHDQUFBPMM-UHFFFAOYSA-N -1 2 383.462 3.018 20 0 GGADLM Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000323364539 970994650 /nfs/dbraw/zinc/99/46/50/970994650.db2.gz CQWRUDMMVOIBBJ-UHFFFAOYSA-N -1 2 376.799 3.117 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c1 ZINC000327135980 971370900 /nfs/dbraw/zinc/37/09/00/971370900.db2.gz RITCYVJBILARMM-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(OC(F)F)c(F)c2)c1 ZINC000327061941 971362447 /nfs/dbraw/zinc/36/24/47/971362447.db2.gz BBTZRROEXMBGEZ-UHFFFAOYSA-N -1 2 379.287 3.065 20 0 GGADLM O=C([O-])c1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)nc1 ZINC001595234901 949382853 /nfs/dbraw/zinc/38/28/53/949382853.db2.gz BXZUXBIBESEFDB-UHFFFAOYSA-N -1 2 387.193 3.185 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1coc(C=CC(=O)[O-])c1 ZINC001589673695 949962186 /nfs/dbraw/zinc/96/21/86/949962186.db2.gz QUCLEHOJZJZWDC-ONEGZZNKSA-N -1 2 387.417 3.140 20 0 GGADLM O=C([O-])c1cc(Br)ccc1NS(=O)(=O)c1cc(F)ccc1F ZINC000013087846 956941276 /nfs/dbraw/zinc/94/12/76/956941276.db2.gz RIJXHNQZQKMNQL-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM O=C([O-])[C@H]1C[C@H](NC(=O)c2cc(Br)c(F)cc2O)c2ccccc21 ZINC001594727312 957015925 /nfs/dbraw/zinc/01/59/25/957015925.db2.gz RJWTUTVCDHAHRW-HZMBPMFUSA-N -1 2 394.196 3.337 20 0 GGADLM Cc1ccc(Br)cc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058891 957353172 /nfs/dbraw/zinc/35/31/72/957353172.db2.gz KQXWSPQTMDGCSX-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000057122633 957549857 /nfs/dbraw/zinc/54/98/57/957549857.db2.gz HETBIXRXPSZTTO-UHFFFAOYSA-N -1 2 394.836 3.498 20 0 GGADLM COc1ccc(-c2cc3[nH]c(CSCCC(=O)[O-])nc(=O)c3s2)cc1 ZINC001594071267 958186254 /nfs/dbraw/zinc/18/62/54/958186254.db2.gz OCWXGFHFEOSYDG-UHFFFAOYSA-N -1 2 376.459 3.368 20 0 GGADLM N#Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C(F)(F)F ZINC000391820445 972379201 /nfs/dbraw/zinc/37/92/01/972379201.db2.gz XAAISLOMHZAELJ-UHFFFAOYSA-N -1 2 376.337 3.138 20 0 GGADLM Cc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1cc(C)ccc1C ZINC000161798080 959196403 /nfs/dbraw/zinc/19/64/03/959196403.db2.gz UNGMFYWQQYUIOV-UHFFFAOYSA-N -1 2 391.474 3.358 20 0 GGADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000181717411 959441979 /nfs/dbraw/zinc/44/19/79/959441979.db2.gz DJHATNLXXMXLOS-UHFFFAOYSA-N -1 2 393.509 3.319 20 0 GGADLM CCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000189461896 959509259 /nfs/dbraw/zinc/50/92/59/959509259.db2.gz BUJJIFQRKMKJKL-UHFFFAOYSA-N -1 2 385.445 3.242 20 0 GGADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnc(Cl)c(C)c1 ZINC000392546745 972497177 /nfs/dbraw/zinc/49/71/77/972497177.db2.gz DLQLGDUVTXWLIS-UHFFFAOYSA-N -1 2 391.232 3.204 20 0 GGADLM CC(C)c1nnc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cn21 ZINC001187554318 960544976 /nfs/dbraw/zinc/54/49/76/960544976.db2.gz JWYMDKUCFSUXKS-UHFFFAOYSA-N -1 2 394.840 3.005 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnc(Cl)c(Br)c2)cs1 ZINC000236460134 960634910 /nfs/dbraw/zinc/63/49/10/960634910.db2.gz LHQJNKKGIOWCCA-UHFFFAOYSA-N -1 2 397.659 3.058 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)c(F)cc1Cl ZINC001259213801 960668190 /nfs/dbraw/zinc/66/81/90/960668190.db2.gz MVYMEOXYDRHYIL-UHFFFAOYSA-N -1 2 384.816 3.252 20 0 GGADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1c(F)cccc1Br ZINC001319102751 960924238 /nfs/dbraw/zinc/92/42/38/960924238.db2.gz BQJSVWVGQRAYIC-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM C[C@H](Cc1ccc(NS(=O)(=O)c2cnc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC001342424980 962145925 /nfs/dbraw/zinc/14/59/25/962145925.db2.gz NKAOODVHEFWYTM-SECBINFHSA-N -1 2 389.260 3.452 20 0 GGADLM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000287126166 962891445 /nfs/dbraw/zinc/89/14/45/962891445.db2.gz BQBXXIGCOOIJBV-UHFFFAOYSA-N -1 2 388.367 3.263 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000296676973 962912875 /nfs/dbraw/zinc/91/28/75/962912875.db2.gz HSLQVJPJSYAEOM-UHFFFAOYSA-N -1 2 377.466 3.275 20 0 GGADLM O=C([O-])[C@H]1CC(C(=O)Nc2cc(Cl)cc(Cl)c2O)=NN1c1ccccc1 ZINC001605845237 972585057 /nfs/dbraw/zinc/58/50/57/972585057.db2.gz MGUYDXBXGLHRLA-CQSZACIVSA-N -1 2 394.214 3.357 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)ccc1F ZINC000427143678 974050292 /nfs/dbraw/zinc/05/02/92/974050292.db2.gz KKKCLMHOOWLGFS-UHFFFAOYSA-N -1 2 397.277 3.362 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)cc1Cl ZINC000438809009 974106496 /nfs/dbraw/zinc/10/64/96/974106496.db2.gz URQSTTYGTWAJSE-UHFFFAOYSA-N -1 2 389.820 3.296 20 0 GGADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccccc2)n[nH]1 ZINC000444420991 974121757 /nfs/dbraw/zinc/12/17/57/974121757.db2.gz BRFPPKDQZWZTIL-UHFFFAOYSA-N -1 2 375.381 3.023 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)[nH]n1 ZINC000444422211 974122081 /nfs/dbraw/zinc/12/20/81/974122081.db2.gz LBIPPWNZAPEMHF-UHFFFAOYSA-N -1 2 389.408 3.332 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000447274180 974125260 /nfs/dbraw/zinc/12/52/60/974125260.db2.gz LRUDFUNDFXCQSX-UHFFFAOYSA-N -1 2 392.364 3.413 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(C)(C)C)c1O ZINC000479576981 974216852 /nfs/dbraw/zinc/21/68/52/974216852.db2.gz VJWXEJKMMFFFFX-UHFFFAOYSA-N -1 2 379.434 3.197 20 0 GGADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485294989 974225607 /nfs/dbraw/zinc/22/56/07/974225607.db2.gz BOUICOLUKTWYHQ-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000489284967 974251447 /nfs/dbraw/zinc/25/14/47/974251447.db2.gz IFHHVKJZNSSOSC-UHFFFAOYSA-N -1 2 387.417 3.020 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c[nH]1 ZINC000491584874 974257451 /nfs/dbraw/zinc/25/74/51/974257451.db2.gz YBRAMHSYJHVXOF-UHFFFAOYSA-N -1 2 382.401 3.057 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc2[nH]ncc21 ZINC000499266960 974266211 /nfs/dbraw/zinc/26/62/11/974266211.db2.gz TYTGWKJWGFHKOK-UHFFFAOYSA-N -1 2 399.350 3.389 20 0 GGADLM Cc1c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1cc(C)ccc1C ZINC000555120829 974485203 /nfs/dbraw/zinc/48/52/03/974485203.db2.gz BFQQFMQLXYVGFB-UHFFFAOYSA-N -1 2 399.472 3.225 20 0 GGADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C1CC1 ZINC000558587221 974495695 /nfs/dbraw/zinc/49/56/95/974495695.db2.gz YQYZVAWNNAPPRF-LBPRGKRZSA-N -1 2 377.466 3.159 20 0 GGADLM CCCn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C1CC1 ZINC000570364955 974710196 /nfs/dbraw/zinc/71/01/96/974710196.db2.gz YFIMJWKACGUSGR-UHFFFAOYSA-N -1 2 377.466 3.286 20 0 GGADLM Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2F)n1 ZINC000614857149 975022452 /nfs/dbraw/zinc/02/24/52/975022452.db2.gz CJNHGERQVZXIFJ-UHFFFAOYSA-N -1 2 395.437 3.189 20 0 GGADLM CC(C)OCc1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001591734319 975715141 /nfs/dbraw/zinc/71/51/41/975715141.db2.gz DTVNBCCSDXYSAT-UHFFFAOYSA-N -1 2 385.388 3.389 20 0 GGADLM CC(C)c1nnc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])s1 ZINC001592075768 976827910 /nfs/dbraw/zinc/82/79/10/976827910.db2.gz RGJBLIBGSRVEMD-UHFFFAOYSA-N -1 2 396.277 3.467 20 0 GGADLM CC(C)c1sc(NS(=O)(=O)c2cnc3ccsc3c2)nc1C(=O)[O-] ZINC001592117548 976922040 /nfs/dbraw/zinc/92/20/40/976922040.db2.gz SIUVCVHZQIWIFB-UHFFFAOYSA-N -1 2 383.476 3.375 20 0 GGADLM CN(C)C(=O)Sc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000737351949 978399052 /nfs/dbraw/zinc/39/90/52/978399052.db2.gz KNQGMEPJTPFSPZ-UHFFFAOYSA-N -1 2 386.476 3.021 20 0 GGADLM O=C([O-])c1cc(Br)ccc1NS(=O)(=O)c1cccc(F)c1F ZINC000738669981 978585324 /nfs/dbraw/zinc/58/53/24/978585324.db2.gz QIROZKNMAFCVMK-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM CC(C)n1ncc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc21 ZINC000745978520 978680068 /nfs/dbraw/zinc/68/00/68/978680068.db2.gz HJLOBOOUWUFOLV-UHFFFAOYSA-N -1 2 377.397 3.255 20 0 GGADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000754341816 978695869 /nfs/dbraw/zinc/69/58/69/978695869.db2.gz GGINQYQFFLCHPM-UHFFFAOYSA-N -1 2 387.461 3.197 20 0 GGADLM COC(=O)c1cc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])c(C)o1 ZINC000754749493 978695932 /nfs/dbraw/zinc/69/59/32/978695932.db2.gz BCTKQYJZWUVSEJ-UHFFFAOYSA-N -1 2 389.385 3.027 20 0 GGADLM COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000782464759 978792444 /nfs/dbraw/zinc/79/24/44/978792444.db2.gz ZIJFWIDRUVZXIQ-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM CSc1c(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1F ZINC000783855898 978794137 /nfs/dbraw/zinc/79/41/37/978794137.db2.gz PPTDSZHHKXPZIG-UHFFFAOYSA-N -1 2 377.365 3.325 20 0 GGADLM Cc1ccc(-n2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)cn2)c(C)c1 ZINC000786099752 978795402 /nfs/dbraw/zinc/79/54/02/978795402.db2.gz QCFWAIWDCWZESS-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1csc(-c2ccccn2)n1 ZINC000793414869 978808038 /nfs/dbraw/zinc/80/80/38/978808038.db2.gz HRCFTEGUKSXYTJ-UHFFFAOYSA-N -1 2 393.421 3.152 20 0 GGADLM Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793415486 978808601 /nfs/dbraw/zinc/80/86/01/978808601.db2.gz KYSSRUGQUZEGAJ-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000793444682 978810250 /nfs/dbraw/zinc/81/02/50/978810250.db2.gz UISQQPODRVJEDX-UHFFFAOYSA-N -1 2 389.408 3.034 20 0 GGADLM CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000794596448 978814190 /nfs/dbraw/zinc/81/41/90/978814190.db2.gz NMLXTEYPDWFZBG-UHFFFAOYSA-N -1 2 383.809 3.137 20 0 GGADLM CC(C)Oc1c(NS(=O)(=O)c2cnc(Cl)c(F)c2)cccc1C(=O)[O-] ZINC000799126156 978836696 /nfs/dbraw/zinc/83/66/96/978836696.db2.gz ZABGHYNYPMFBFY-UHFFFAOYSA-N -1 2 388.804 3.160 20 0 GGADLM Cn1ncc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1-c1ccccc1 ZINC000808118158 978851650 /nfs/dbraw/zinc/85/16/50/978851650.db2.gz SNTKMGBMQKYGAI-UHFFFAOYSA-N -1 2 391.836 3.240 20 0 GGADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1C1CC1 ZINC001595027400 979143712 /nfs/dbraw/zinc/14/37/12/979143712.db2.gz UMYZHGPIPFTLFY-JTQLQIEISA-N -1 2 381.429 3.370 20 0 GGADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1C1CC1 ZINC001595027401 979143766 /nfs/dbraw/zinc/14/37/66/979143766.db2.gz UMYZHGPIPFTLFY-SNVBAGLBSA-N -1 2 381.429 3.370 20 0 GGADLM C[C@H](Cc1nnc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)o1)CC(C)(C)C ZINC001592912476 979879248 /nfs/dbraw/zinc/87/92/48/979879248.db2.gz ICKNJBBXSDJVCM-SNVBAGLBSA-N -1 2 399.444 3.323 20 0 GGADLM C[C@@H](Cc1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)o1)CC(C)(C)C ZINC001592912999 979884387 /nfs/dbraw/zinc/88/43/87/979884387.db2.gz RIWRXRUYLOHNOW-JTQLQIEISA-N -1 2 399.444 3.323 20 0 GGADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccccc1OCC(C)C ZINC000901860579 980580190 /nfs/dbraw/zinc/58/01/90/980580190.db2.gz MJTANJVLZCWESE-UHFFFAOYSA-N -1 2 379.434 3.229 20 0 GGADLM CC[C@H](c1nnc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)o1)c1ccccc1 ZINC001595364010 980789109 /nfs/dbraw/zinc/78/91/09/980789109.db2.gz MOZRBQHISCEGMR-LBPRGKRZSA-N -1 2 393.446 3.172 20 0 GGADLM CC[C@@H](c1nnc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)o1)c1ccccc1 ZINC001595364539 980795088 /nfs/dbraw/zinc/79/50/88/980795088.db2.gz XOPXPTVVKWGDPT-OAHLLOKOSA-N -1 2 387.417 3.111 20 0 GGADLM CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)sc2C1 ZINC001595469883 981166234 /nfs/dbraw/zinc/16/62/34/981166234.db2.gz CZRLCLSVWZEYIU-SECBINFHSA-N -1 2 384.454 3.296 20 0 GGADLM CCC[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2C1 ZINC001595580476 981517761 /nfs/dbraw/zinc/51/77/61/981517761.db2.gz IBNQGYMWZZBVTN-LBPRGKRZSA-N -1 2 378.450 3.283 20 0 GGADLM CCC[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2C1 ZINC001595580476 981517763 /nfs/dbraw/zinc/51/77/63/981517763.db2.gz IBNQGYMWZZBVTN-LBPRGKRZSA-N -1 2 378.450 3.283 20 0 GGADLM CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cccc(CC(=O)[O-])c3)sc2C1 ZINC001595623662 981723379 /nfs/dbraw/zinc/72/33/79/981723379.db2.gz XEQYOZWKAGPSCI-GFCCVEGCSA-N -1 2 394.518 3.476 20 0 GGADLM CCCCCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)s1 ZINC001595727700 982353660 /nfs/dbraw/zinc/35/36/60/982353660.db2.gz IGISRVRMMRQKQS-UHFFFAOYSA-N -1 2 387.458 3.217 20 0 GGADLM O=C([O-])CCOc1ccc(NS(=O)(=O)c2cnc(Cl)cc2Cl)cc1 ZINC001117127924 982937052 /nfs/dbraw/zinc/93/70/52/982937052.db2.gz ZRUCJZHURBTDEE-UHFFFAOYSA-N -1 2 391.232 3.043 20 0 GGADLM CCCN1Cc2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2C1 ZINC001595915688 983018755 /nfs/dbraw/zinc/01/87/55/983018755.db2.gz WCCYBSJKKPTKGB-UHFFFAOYSA-N -1 2 378.425 3.050 20 0 GGADLM CCCc1c(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)[nH]c(C)c1C(=O)[O-] ZINC001596045536 983334155 /nfs/dbraw/zinc/33/41/55/983334155.db2.gz HBSGCNWJXPSFCL-UHFFFAOYSA-N -1 2 383.408 3.025 20 0 GGADLM CCOC(=O)c1cc(CC)sc1NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001596704225 984901830 /nfs/dbraw/zinc/90/18/30/984901830.db2.gz XBIXNDGZCNTUGJ-UHFFFAOYSA-N -1 2 397.474 3.127 20 0 GGADLM CCOC(=O)c1cc(S(=O)(=O)Nc2scc(C(=O)[O-])c2C)ccc1C ZINC001596713469 984934224 /nfs/dbraw/zinc/93/42/24/984934224.db2.gz BKFGFGKCJMJEKJ-UHFFFAOYSA-N -1 2 383.447 3.041 20 0 GGADLM CCOC(=O)c1cc(S(=O)(=O)Nc2scc(C)c2C(=O)[O-])ccc1C ZINC001596715167 984944669 /nfs/dbraw/zinc/94/46/69/984944669.db2.gz RIPOPJVUZAHPCK-UHFFFAOYSA-N -1 2 383.447 3.041 20 0 GGADLM Cc1[nH]c(C(=O)CS(=O)(=O)Cc2ccc(C(C)C)cc2)c(C)c1C(=O)[O-] ZINC001599948083 985562422 /nfs/dbraw/zinc/56/24/22/985562422.db2.gz UCJZASCCCCCUOP-UHFFFAOYSA-N -1 2 377.462 3.251 20 0 GGADLM CC(=O)c1[nH]c(CC(=O)Nc2cc(Cl)cc(Cl)c2O)c(C(=O)[O-])c1C ZINC001589244258 985845237 /nfs/dbraw/zinc/84/52/37/985845237.db2.gz LSYYXGNICBLBOG-UHFFFAOYSA-N -1 2 385.203 3.418 20 0 GGADLM CC(=O)c1ccc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])s3)sc2c1 ZINC001589304712 986067364 /nfs/dbraw/zinc/06/73/64/986067364.db2.gz AMQYTFWWKDDHIU-UHFFFAOYSA-N -1 2 382.444 3.059 20 0 GGADLM CCOc1ccc(C[C@H](CNC(=O)c2cccc(Cl)c2O)C(=O)[O-])cc1 ZINC001597088464 986662067 /nfs/dbraw/zinc/66/20/67/986662067.db2.gz FQJWXLOOKODLKU-CYBMUJFWSA-N -1 2 377.824 3.118 20 0 GGADLM C[C@@H](C(=O)[O-])[C@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1ccccc1 ZINC001589468935 986935220 /nfs/dbraw/zinc/93/52/20/986935220.db2.gz HWGDESAXTZMLJL-PXAZEXFGSA-N -1 2 399.834 3.423 20 0 GGADLM C[C@H](C(=O)[O-])[C@@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1ccccc1 ZINC001589468938 986936103 /nfs/dbraw/zinc/93/61/03/986936103.db2.gz HWGDESAXTZMLJL-YVEFUNNKSA-N -1 2 399.834 3.423 20 0 GGADLM CCOc1ccccc1-c1cc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)[nH]n1 ZINC001597168022 986994240 /nfs/dbraw/zinc/99/42/40/986994240.db2.gz URIYGXTUPBZDLK-HNNXBMFYSA-N -1 2 377.400 3.304 20 0 GGADLM CC(C)(C)C[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001589757338 988073479 /nfs/dbraw/zinc/07/34/79/988073479.db2.gz UENSHRVZNARYFE-SNVBAGLBSA-N -1 2 389.342 3.308 20 0 GGADLM CC(C)(C)C[C@H](OC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C(=O)[O-] ZINC001589761829 988092753 /nfs/dbraw/zinc/09/27/53/988092753.db2.gz NHTLORLBMFLFCD-AWEZNQCLSA-N -1 2 396.237 3.337 20 0 GGADLM CCc1nc(NS(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)sc1C(=O)[O-] ZINC001597685126 988828210 /nfs/dbraw/zinc/82/82/10/988828210.db2.gz BZZZQLRXETVXQN-UHFFFAOYSA-N -1 2 396.490 3.433 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(OC)cc1OC ZINC001597785233 989301445 /nfs/dbraw/zinc/30/14/45/989301445.db2.gz DVIULSWPKZTCIU-UHFFFAOYSA-N -1 2 389.813 3.012 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2ccc(C(C)=O)cc2s1 ZINC001597790644 989313548 /nfs/dbraw/zinc/31/35/48/989313548.db2.gz GFQDFDVFHKNZGG-UHFFFAOYSA-N -1 2 394.430 3.153 20 0 GGADLM CC(C)(C)c1nc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])no1 ZINC001590545246 990179758 /nfs/dbraw/zinc/17/97/58/990179758.db2.gz AGEZTWYGODGIIV-UHFFFAOYSA-N -1 2 394.236 3.173 20 0 GGADLM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(Br)c(F)cc1O ZINC001598512203 992576059 /nfs/dbraw/zinc/57/60/59/992576059.db2.gz TZISMJBYRSFQCJ-UHFFFAOYSA-N -1 2 382.185 3.264 20 0 GGADLM CN(Cc1nc(=O)c2sccc2[nH]1)c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001598538122 992864843 /nfs/dbraw/zinc/86/48/43/992864843.db2.gz DYSQFSJVUKAVIX-UHFFFAOYSA-N -1 2 384.339 3.145 20 0 GGADLM CC(C)N1Cc2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2C1 ZINC001591635864 992946539 /nfs/dbraw/zinc/94/65/39/992946539.db2.gz SHFTZNAVCRQZJE-UHFFFAOYSA-N -1 2 378.425 3.049 20 0 GGADLM COc1ccc(NC(=O)c2cc(Br)c(F)cc2O)c(C(=O)[O-])c1 ZINC001599593601 993720372 /nfs/dbraw/zinc/72/03/72/993720372.db2.gz GOJSXUKIUPUGPN-UHFFFAOYSA-N -1 2 384.157 3.253 20 0 GGADLM COc1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c(C(F)(F)F)c1 ZINC001599597829 993771986 /nfs/dbraw/zinc/77/19/86/993771986.db2.gz AVLIXUNMKMAYHU-UHFFFAOYSA-N -1 2 393.339 3.423 20 0 GGADLM COc1ccc(NS(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)cc1F ZINC001599598625 993782511 /nfs/dbraw/zinc/78/25/11/993782511.db2.gz JZVHKKQABPTLDI-UHFFFAOYSA-N -1 2 379.818 3.357 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2sccc2C(=O)[O-])cc1Br ZINC001599617765 994039651 /nfs/dbraw/zinc/03/96/51/994039651.db2.gz BGTLLUCKBVYUQB-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM C[C@](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)(C1CC1)C(F)(F)F ZINC001593326670 994880664 /nfs/dbraw/zinc/88/06/64/994880664.db2.gz NSSZIMLPXIJIGT-LBPRGKRZSA-N -1 2 389.754 3.187 20 0 GGADLM COc1cccc(OC)c1S(=O)(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001599682935 995012045 /nfs/dbraw/zinc/01/20/45/995012045.db2.gz VQCDYRQBXFCQOS-UHFFFAOYSA-N -1 2 379.434 3.326 20 0 GGADLM CC1(C)CCc2nc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2C1 ZINC001593916624 996820330 /nfs/dbraw/zinc/82/03/30/996820330.db2.gz TWJANVUSRRDJIB-UHFFFAOYSA-N -1 2 384.454 3.296 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2cc(F)c(C)cc2s1 ZINC001599503549 997170305 /nfs/dbraw/zinc/17/03/05/997170305.db2.gz YZMHITDHTSCNNM-UHFFFAOYSA-N -1 2 396.421 3.251 20 0 GGADLM COc1cc(F)cc(F)c1S(=O)(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC001599425426 997666025 /nfs/dbraw/zinc/66/60/25/997666025.db2.gz AQEQTEUFCKUYAN-UHFFFAOYSA-N -1 2 392.405 3.052 20 0 GGADLM COc1cc(F)c(F)cc1NS(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001599425862 997674086 /nfs/dbraw/zinc/67/40/86/997674086.db2.gz OQWOJUZENDQCTG-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM C[C@@]1(NC(=O)C(F)(F)F)CCN([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001594053977 997780795 /nfs/dbraw/zinc/78/07/95/997780795.db2.gz ZBCWCKVWLHJSBN-BXUZGUMPSA-N -1 2 399.196 3.262 20 0 GGADLM COc1c(F)cc(NS(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)cc1F ZINC001599335406 997825776 /nfs/dbraw/zinc/82/57/76/997825776.db2.gz ICNLRVLSLHSGLX-UHFFFAOYSA-N -1 2 397.808 3.496 20 0 GGADLM COc1cc(NC(=O)c2cc(Br)cc(F)c2O)ccc1C(=O)[O-] ZINC001599441400 997934836 /nfs/dbraw/zinc/93/48/36/997934836.db2.gz LOYHAGKKOJBLCA-UHFFFAOYSA-N -1 2 384.157 3.253 20 0 GGADLM COc1ccc(Cl)c(S(=O)(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)c1 ZINC001599577075 998461984 /nfs/dbraw/zinc/46/19/84/998461984.db2.gz GBGBGCKNFPZBDX-UHFFFAOYSA-N -1 2 388.854 3.182 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(Br)c2)sc1C(=O)[O-] ZINC000037225784 207000819 /nfs/dbraw/zinc/00/08/19/207000819.db2.gz GZVZKWDDJUECPE-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1C(=O)[O-] ZINC000078938861 208066647 /nfs/dbraw/zinc/06/66/47/208066647.db2.gz RUMBERFRVHXYSF-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1Cl ZINC000078877894 208067125 /nfs/dbraw/zinc/06/71/25/208067125.db2.gz ZNVHOEIZPPIEOI-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc(Br)c2)cc1C(=O)[O-] ZINC000089570276 208108069 /nfs/dbraw/zinc/10/80/69/208108069.db2.gz MTEQHMZMASFPCK-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1C(F)(F)F ZINC000095428147 208181199 /nfs/dbraw/zinc/18/11/99/208181199.db2.gz DKNXFDPUJMMTHQ-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)c1 ZINC000014205779 208789950 /nfs/dbraw/zinc/78/99/50/208789950.db2.gz VGEWWWVZFHXSKS-UHFFFAOYSA-N -1 2 381.353 3.188 20 0 GGADLM CCOc1ccc2nc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)sc2c1 ZINC000013367184 221266702 /nfs/dbraw/zinc/26/67/02/221266702.db2.gz UUGAGASOYVFQOY-UHFFFAOYSA-N -1 2 396.421 3.333 20 0 GGADLM Cc1cc(Br)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000015245849 564285189 /nfs/dbraw/zinc/28/51/89/564285189.db2.gz DRBOLHGRFCNNBX-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1C(F)(F)F ZINC000120319033 564314943 /nfs/dbraw/zinc/31/49/43/564314943.db2.gz VCXOWTPQDURFHZ-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1C(F)(F)F ZINC000120320009 564315026 /nfs/dbraw/zinc/31/50/26/564315026.db2.gz JWACSXCYMJZLTF-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000035306786 564415341 /nfs/dbraw/zinc/41/53/41/564415341.db2.gz MKQCYLYHJPALJQ-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM CCOc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1OCC ZINC000045946648 564491722 /nfs/dbraw/zinc/49/17/22/564491722.db2.gz KWSZRVKIDYCENG-UHFFFAOYSA-N -1 2 385.463 3.353 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(F)c2)sc1C(=O)[O-] ZINC000048382674 564538300 /nfs/dbraw/zinc/53/83/00/564538300.db2.gz ZQPRKHSAPHQSHM-UHFFFAOYSA-N -1 2 381.353 3.296 20 0 GGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1sccc1Br ZINC000049060828 564548784 /nfs/dbraw/zinc/54/87/84/564548784.db2.gz TYAQDTZFNFWDEW-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM COC(=O)c1sccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000055572996 564624661 /nfs/dbraw/zinc/62/46/61/564624661.db2.gz ZZUKNSPAYUGNER-UHFFFAOYSA-N -1 2 383.447 3.157 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000057178071 564662822 /nfs/dbraw/zinc/66/28/22/564662822.db2.gz JFKMOIODAZAZHX-UHFFFAOYSA-N -1 2 391.188 3.401 20 0 GGADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000060442084 564698528 /nfs/dbraw/zinc/69/85/28/564698528.db2.gz QDIFGORVWMIOOT-UHFFFAOYSA-N -1 2 377.365 3.325 20 0 GGADLM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1sccc1Br ZINC000061564282 564706844 /nfs/dbraw/zinc/70/68/44/564706844.db2.gz KNJSGNIRYDRCTI-UHFFFAOYSA-N -1 2 398.206 3.288 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(-n3cccn3)c(Cl)c2)sc1C(=O)[O-] ZINC000066585689 564770358 /nfs/dbraw/zinc/77/03/58/564770358.db2.gz RHEAYPSENOSGME-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(COCC3CC3)c2)sc1C(=O)[O-] ZINC000068397547 564818247 /nfs/dbraw/zinc/81/82/47/564818247.db2.gz JEACGHVLDSOKCK-UHFFFAOYSA-N -1 2 381.475 3.482 20 0 GGADLM CC1CCN(c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)CC1 ZINC000070825921 564852045 /nfs/dbraw/zinc/85/20/45/564852045.db2.gz LTIHMUFIXHDIRU-UHFFFAOYSA-N -1 2 380.491 3.483 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C)sc1C(=O)[O-] ZINC000152599369 564965506 /nfs/dbraw/zinc/96/55/06/564965506.db2.gz NDTLSXJLQWHNRL-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(Br)cc2F)ccc1C(=O)[O-] ZINC000154461133 565040214 /nfs/dbraw/zinc/04/02/14/565040214.db2.gz KOOBZNZXKDTCHH-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1cc(Br)cc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000156377554 565084476 /nfs/dbraw/zinc/08/44/76/565084476.db2.gz CXNLAZTWGNEEFB-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000185569889 565208783 /nfs/dbraw/zinc/20/87/83/565208783.db2.gz PSGYIHLEDLQTTB-UHFFFAOYSA-N -1 2 388.214 3.016 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2F)ccc1Br ZINC000161743781 565292787 /nfs/dbraw/zinc/29/27/87/565292787.db2.gz TWEOZRHNTBVVIU-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)s1 ZINC000166572289 565376210 /nfs/dbraw/zinc/37/62/10/565376210.db2.gz CIYBJULMQAZSJM-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c(Br)c1O ZINC000278361209 565553185 /nfs/dbraw/zinc/55/31/85/565553185.db2.gz JPZBXEROGSMIRE-QMTHXVAHSA-N -1 2 398.219 3.299 20 0 GGADLM COc1ccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(Br)c1O ZINC000278361212 565553471 /nfs/dbraw/zinc/55/34/71/565553471.db2.gz JPZBXEROGSMIRE-YGRLFVJLSA-N -1 2 398.219 3.299 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)sc1C(=O)[O-] ZINC000190840572 565562972 /nfs/dbraw/zinc/56/29/72/565562972.db2.gz YIKLAIFTGVLTMP-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)c1F ZINC000313215557 565583472 /nfs/dbraw/zinc/58/34/72/565583472.db2.gz DKRBLJRKCQNEAS-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1cc(Br)c(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1F ZINC000320506305 565602228 /nfs/dbraw/zinc/60/22/28/565602228.db2.gz KRMNPHZOFGALBK-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000327383863 565630557 /nfs/dbraw/zinc/63/05/57/565630557.db2.gz GTCKSUWJGNAPNA-UHFFFAOYSA-N -1 2 385.463 3.353 20 0 GGADLM Cc1ccc(-n2cc(NS(=O)(=O)c3csc(C(=O)[O-])c3)cn2)c(C)c1 ZINC000191898982 565641937 /nfs/dbraw/zinc/64/19/37/565641937.db2.gz LNNQKEIUMHZOKX-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(Br)c1F ZINC000410365400 565679245 /nfs/dbraw/zinc/67/92/45/565679245.db2.gz JWFDQHGGCNTCRD-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1C(=O)[O-] ZINC000410378397 565680675 /nfs/dbraw/zinc/68/06/75/565680675.db2.gz CJCCPGJQRCYLQG-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c(F)cc1Br ZINC000333229975 565872461 /nfs/dbraw/zinc/87/24/61/565872461.db2.gz XZPCTXCJRFITFJ-CABZTGNLSA-N -1 2 388.262 3.077 20 0 GGADLM Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c(F)cc1Br ZINC000333229978 565872669 /nfs/dbraw/zinc/87/26/69/565872669.db2.gz XZPCTXCJRFITFJ-SKDRFNHKSA-N -1 2 388.262 3.077 20 0 GGADLM Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c(F)cc1Br ZINC000333229973 565873076 /nfs/dbraw/zinc/87/30/76/565873076.db2.gz XZPCTXCJRFITFJ-BXKDBHETSA-N -1 2 388.262 3.077 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnoc2C2CC2)cc1C(F)(F)F ZINC000414387506 565921327 /nfs/dbraw/zinc/92/13/27/565921327.db2.gz JNYDBKLOQRIGCZ-UHFFFAOYSA-N -1 2 376.312 3.070 20 0 GGADLM COc1cc(S(=O)(=O)Nc2ncsc2C(C)C)c(Cl)cc1C(=O)[O-] ZINC000288305304 566067326 /nfs/dbraw/zinc/06/73/26/566067326.db2.gz SWCFBVBFTGSAQY-UHFFFAOYSA-N -1 2 390.870 3.428 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cc(F)c(Br)c(F)c2)c1 ZINC000180657632 566079313 /nfs/dbraw/zinc/07/93/13/566079313.db2.gz PDSUAQSXNCZEDZ-UHFFFAOYSA-N -1 2 398.206 3.288 20 0 GGADLM Cc1ncc(S(=O)(=O)Nc2cc(Br)c(C)c(C(=O)[O-])c2)s1 ZINC000556351046 566288988 /nfs/dbraw/zinc/28/89/88/566288988.db2.gz SBODEIZTECLNKP-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)sc1C(=O)[O-] ZINC000535508441 566308694 /nfs/dbraw/zinc/30/86/94/566308694.db2.gz QDAOINTULFOTNJ-UHFFFAOYSA-N -1 2 393.437 3.346 20 0 GGADLM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c[nH]nc21 ZINC000446620018 566359632 /nfs/dbraw/zinc/35/96/32/566359632.db2.gz LRSUSEMIZLXJFE-UHFFFAOYSA-N -1 2 379.463 3.421 20 0 GGADLM COc1cc(SC)ccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000446643992 566360593 /nfs/dbraw/zinc/36/05/93/566360593.db2.gz XNIUANBNBSGFFE-UHFFFAOYSA-N -1 2 385.438 3.364 20 0 GGADLM Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CC1 ZINC000510461538 566385164 /nfs/dbraw/zinc/38/51/64/566385164.db2.gz PWBYLDODEXIJCB-LBPRGKRZSA-N -1 2 378.256 3.296 20 0 GGADLM CCOc1ccccc1NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485293991 566487579 /nfs/dbraw/zinc/48/75/79/566487579.db2.gz OQGMKYYXLFWCHC-UHFFFAOYSA-N -1 2 385.825 3.246 20 0 GGADLM CCOC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1Cl ZINC000603988001 566548753 /nfs/dbraw/zinc/54/87/53/566548753.db2.gz VCDHAAPTFOVEFP-UHFFFAOYSA-N -1 2 389.838 3.077 20 0 GGADLM Cc1nc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)s1 ZINC000486069753 566555004 /nfs/dbraw/zinc/55/50/04/566555004.db2.gz CWBRMBUOTHEBMP-UHFFFAOYSA-N -1 2 396.368 3.158 20 0 GGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccccc2OC(F)F)c1 ZINC000512795130 566557169 /nfs/dbraw/zinc/55/71/69/566557169.db2.gz OKMRFJFFCMHVNC-UHFFFAOYSA-N -1 2 375.324 3.235 20 0 GGADLM CCCc1ccc(Cl)c(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)c1 ZINC000559962264 566580200 /nfs/dbraw/zinc/58/02/00/566580200.db2.gz IJXQIMSSGPCQOO-UHFFFAOYSA-N -1 2 382.795 3.247 20 0 GGADLM O=S(=O)(Nc1ncn(CC(F)(F)F)n1)c1ccc(Cl)c(F)c1Cl ZINC000559962434 566580662 /nfs/dbraw/zinc/58/06/62/566580662.db2.gz UXNBFJSRKQVEFA-UHFFFAOYSA-N -1 2 393.149 3.087 20 0 GGADLM Cc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)nn1-c1cccc(Cl)c1 ZINC000539597895 566590132 /nfs/dbraw/zinc/59/01/32/566590132.db2.gz VOFHZZBKOWLBMT-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(C)c(OC(F)F)c2)sc1C(=O)[O-] ZINC000513360106 566597377 /nfs/dbraw/zinc/59/73/77/566597377.db2.gz YOXLECFHOVXVHP-UHFFFAOYSA-N -1 2 377.390 3.465 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3cccc(Cl)c3)n[nH]2)cc1 ZINC000674755142 566607116 /nfs/dbraw/zinc/60/71/16/566607116.db2.gz MAQSDNWGNBUGNO-UHFFFAOYSA-N -1 2 377.809 3.229 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3cccc(Cl)c3)[nH]n2)cc1 ZINC000674755142 566607124 /nfs/dbraw/zinc/60/71/24/566607124.db2.gz MAQSDNWGNBUGNO-UHFFFAOYSA-N -1 2 377.809 3.229 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2csc(-c3ccccn3)n2)c(Cl)c1 ZINC000541804541 566749063 /nfs/dbraw/zinc/74/90/63/566749063.db2.gz IPCQLBTVFQEOTL-UHFFFAOYSA-N -1 2 395.849 3.358 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1csc(-c2ccccn2)n1 ZINC000541807172 566751372 /nfs/dbraw/zinc/75/13/72/566751372.db2.gz CTSIUWOSAJYANO-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)cc1F ZINC000489562873 566796891 /nfs/dbraw/zinc/79/68/91/566796891.db2.gz MIMQGCUMDAHFOO-UHFFFAOYSA-N -1 2 379.287 3.065 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)c(Cl)c1 ZINC000489694279 566803942 /nfs/dbraw/zinc/80/39/42/566803942.db2.gz HJSSLTLIYJPMQQ-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489754772 566808705 /nfs/dbraw/zinc/80/87/05/566808705.db2.gz SXXQIZUZSOEUSM-UHFFFAOYSA-N -1 2 383.809 3.016 20 0 GGADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000542728333 566821679 /nfs/dbraw/zinc/82/16/79/566821679.db2.gz OQRWGJCAJFIIHB-UHFFFAOYSA-N -1 2 385.873 3.308 20 0 GGADLM O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cccc(Br)c1[O-] ZINC000517373745 566822904 /nfs/dbraw/zinc/82/29/04/566822904.db2.gz VVXNBARWKGBXIN-UHFFFAOYSA-N -1 2 376.235 3.347 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000543166528 566858929 /nfs/dbraw/zinc/85/89/29/566858929.db2.gz SOQIZIRFOHENHR-UHFFFAOYSA-N -1 2 375.349 3.152 20 0 GGADLM COc1ccc(OC(C)C)c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000518042785 566861232 /nfs/dbraw/zinc/86/12/32/566861232.db2.gz SHFZBFPRSHNSTN-UHFFFAOYSA-N -1 2 385.463 3.351 20 0 GGADLM O=C([O-])c1ccc(OC(F)(F)F)c(NS(=O)(=O)c2cncc(Cl)c2)c1 ZINC000471985237 566991577 /nfs/dbraw/zinc/99/15/77/566991577.db2.gz RNYSCMHAANWEJS-UHFFFAOYSA-N -1 2 396.730 3.133 20 0 GGADLM COc1cc2nc(C)sc2cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000520626503 567016023 /nfs/dbraw/zinc/01/60/23/567016023.db2.gz SMKXKUBYNZQELH-UHFFFAOYSA-N -1 2 398.487 3.482 20 0 GGADLM CC(C)O[C@]1(CS(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)CCOC1 ZINC000634791144 567062527 /nfs/dbraw/zinc/06/25/27/567062527.db2.gz MOXUFPMSXCHQMR-CQSZACIVSA-N -1 2 384.281 3.025 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)sc1Cl ZINC000473446829 567081608 /nfs/dbraw/zinc/08/16/08/567081608.db2.gz FBOIGRHMAJUWSM-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c2ncccc12 ZINC000546020319 567096008 /nfs/dbraw/zinc/09/60/08/567096008.db2.gz OXNHEBCHWCODRD-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2OCc2cscn2)cs1 ZINC000588624458 567130022 /nfs/dbraw/zinc/13/00/22/567130022.db2.gz JZDKPRAMPKWQQI-UHFFFAOYSA-N -1 2 396.471 3.283 20 0 GGADLM Cc1nnc(NC(=O)c2sccc2S(=O)(=O)[N-]c2ccc(C)cc2)s1 ZINC000522909391 567136634 /nfs/dbraw/zinc/13/66/34/567136634.db2.gz PQLLMBXRAYQSIB-UHFFFAOYSA-N -1 2 394.503 3.270 20 0 GGADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000614772098 567138314 /nfs/dbraw/zinc/13/83/14/567138314.db2.gz HEJVISHBVQEGPF-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2O)sc1C(=O)[O-] ZINC000525173755 567230712 /nfs/dbraw/zinc/23/07/12/567230712.db2.gz RAOFQDDGULAELQ-UHFFFAOYSA-N -1 2 392.252 3.024 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1csc(-c2ccccn2)n1 ZINC000499340564 567239389 /nfs/dbraw/zinc/23/93/89/567239389.db2.gz GZSNLVGCFNYYIB-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OC(F)F ZINC000525669749 567256421 /nfs/dbraw/zinc/25/64/21/567256421.db2.gz CIDFDAVKRFWJHY-UHFFFAOYSA-N -1 2 381.353 3.296 20 0 GGADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000548267592 567302743 /nfs/dbraw/zinc/30/27/43/567302743.db2.gz MZKPYZHMERXNQU-LDWIPMOCSA-N -1 2 394.198 3.379 20 0 GGADLM CCn1nc(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cc1C1CC1 ZINC000527035121 567308238 /nfs/dbraw/zinc/30/82/38/567308238.db2.gz URERPJSLVLALDD-UHFFFAOYSA-N -1 2 383.857 3.241 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)c(C(=O)[O-])c1 ZINC000500289551 567312100 /nfs/dbraw/zinc/31/21/00/567312100.db2.gz QUQDFSZSVMFYDJ-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1n[nH]cc1S(=O)(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000568392019 567325412 /nfs/dbraw/zinc/32/54/12/567325412.db2.gz YTMCZAPIWIAAOU-UHFFFAOYSA-N -1 2 380.539 3.097 20 0 GGADLM Cc1ncc(S(=O)(=O)Nc2cc(F)c(NC(C)(C)C)cc2C(=O)[O-])s1 ZINC000548544451 567325610 /nfs/dbraw/zinc/32/56/10/567325610.db2.gz VIBBHCOAGAINRG-UHFFFAOYSA-N -1 2 387.458 3.300 20 0 GGADLM O=S(=O)(NCCNc1ccc2ccccc2[nH+]1)c1cccc(Cl)c1Cl ZINC000570198316 567464301 /nfs/dbraw/zinc/46/43/01/567464301.db2.gz BGEDHZBCSNYPGX-UHFFFAOYSA-N -1 2 396.299 3.354 20 0 GGADLM O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)c1ccc(O)c(Cl)c1 ZINC000436901882 567465319 /nfs/dbraw/zinc/46/53/19/567465319.db2.gz CVEQUPZSSPBRDT-UHFFFAOYSA-N -1 2 381.791 3.440 20 0 GGADLM COc1cc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1Cl ZINC000436993962 567473446 /nfs/dbraw/zinc/47/34/46/567473446.db2.gz JJQHMQVDRNZJBN-UHFFFAOYSA-N -1 2 392.216 3.207 20 0 GGADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC000437006838 567475339 /nfs/dbraw/zinc/47/53/39/567475339.db2.gz WDFTXOHEGOEOED-UHFFFAOYSA-N -1 2 392.216 3.212 20 0 GGADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccccc1SC ZINC000479182265 567512494 /nfs/dbraw/zinc/51/24/94/567512494.db2.gz COVBOXLYLFIZEA-UHFFFAOYSA-N -1 2 381.475 3.235 20 0 GGADLM Cc1c(Cl)cc(S(=O)(=O)Nc2ccn(CCC(C)C)n2)cc1C(=O)[O-] ZINC000479247418 567517410 /nfs/dbraw/zinc/51/74/10/567517410.db2.gz CMRPGQHVUZXWGB-UHFFFAOYSA-N -1 2 385.873 3.390 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cnn1CC(C)C ZINC000479280331 567521957 /nfs/dbraw/zinc/52/19/57/567521957.db2.gz LOORHEOOPQMKDM-UHFFFAOYSA-N -1 2 385.873 3.308 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1Cl ZINC000620476068 567523425 /nfs/dbraw/zinc/52/34/25/567523425.db2.gz CJJUHHRNMVUVKG-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM Cc1cccc(F)c1S(=O)(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000479530800 567541705 /nfs/dbraw/zinc/54/17/05/567541705.db2.gz WYEJVAMJCRFYBA-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)cc1Cl ZINC000438813412 567547207 /nfs/dbraw/zinc/54/72/07/567547207.db2.gz XKGXZGPBLWWJMA-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(Oc3ccccn3)cc2)c1 ZINC000505315891 567570105 /nfs/dbraw/zinc/57/01/05/567570105.db2.gz DQJGODQXBQFPNF-UHFFFAOYSA-N -1 2 376.415 3.434 20 0 GGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)c1C ZINC000531257819 567649373 /nfs/dbraw/zinc/64/93/73/567649373.db2.gz BDBUBACLTJLJNR-UHFFFAOYSA-N -1 2 377.447 3.254 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1C(F)(F)F ZINC000481461001 567679906 /nfs/dbraw/zinc/67/99/06/567679906.db2.gz FLAIZYJKUXQNLD-UHFFFAOYSA-N -1 2 375.324 3.218 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1Cl ZINC000481576765 567688876 /nfs/dbraw/zinc/68/88/76/567688876.db2.gz XSKGXNVKWWRAKX-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM Cc1cc(Br)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000460425663 567689717 /nfs/dbraw/zinc/68/97/17/567689717.db2.gz IIKVJEWOBGWXGE-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM CCc1ncc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000460770109 567702188 /nfs/dbraw/zinc/70/21/88/567702188.db2.gz KZCLOSZOHHEMNT-UHFFFAOYSA-N -1 2 380.369 3.223 20 0 GGADLM CO[C@H](CS(=O)(=O)[N-]c1cc(Br)cc(Cl)c1O)C(C)C ZINC000647129337 567762932 /nfs/dbraw/zinc/76/29/32/567762932.db2.gz SCHGAQNBXJBMDT-LLVKDONJSA-N -1 2 386.695 3.221 20 0 GGADLM Cc1cccn2cc(CNS(=O)(=O)c3ccc(C(F)(F)F)s3)[nH+]c12 ZINC000462071003 567766125 /nfs/dbraw/zinc/76/61/25/567766125.db2.gz MLDGRGAHDDOBLB-UHFFFAOYSA-N -1 2 375.397 3.202 20 0 GGADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533691126 567782377 /nfs/dbraw/zinc/78/23/77/567782377.db2.gz QKSIFOAWQOXOLS-UHFFFAOYSA-N -1 2 387.816 3.306 20 0 GGADLM COc1ccc(-c2cc3[nH]c(CS[C@@H](C)C(=O)[O-])nc(=O)c3s2)cc1 ZINC000739877226 597070816 /nfs/dbraw/zinc/07/08/16/597070816.db2.gz LMKJXROFRGKOOO-VIFPVBQESA-N -1 2 376.459 3.367 20 0 GGADLM O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000821539320 598198530 /nfs/dbraw/zinc/19/85/30/598198530.db2.gz GWOXYFJXGVCOIJ-KRWDZBQOSA-N -1 2 391.431 3.468 20 0 GGADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000737717089 599814329 /nfs/dbraw/zinc/81/43/29/599814329.db2.gz HSHHNUBKLNQHET-UHFFFAOYSA-N -1 2 397.474 3.331 20 0 GGADLM CCOc1ccc(OC)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000729665998 599853082 /nfs/dbraw/zinc/85/30/82/599853082.db2.gz PKLOFZOLXFIZDP-UHFFFAOYSA-N -1 2 385.825 3.246 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1c2c(nn1-c1ccccc1)CCC2 ZINC000738277032 599966164 /nfs/dbraw/zinc/96/61/64/599966164.db2.gz CQYUOHJFNDNIEI-UHFFFAOYSA-N -1 2 397.456 3.168 20 0 GGADLM COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000541795200 600051200 /nfs/dbraw/zinc/05/12/00/600051200.db2.gz LBXCWIDKAYRJNB-UHFFFAOYSA-N -1 2 391.426 3.187 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)c1 ZINC000740270786 600052176 /nfs/dbraw/zinc/05/21/76/600052176.db2.gz DAJCSWYWVWOAOU-UHFFFAOYSA-N -1 2 394.377 3.274 20 0 GGADLM Cc1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n(-c2ccccc2C)n1 ZINC000738462761 600053545 /nfs/dbraw/zinc/05/35/45/600053545.db2.gz XCQUUYHMPAYLAO-UHFFFAOYSA-N -1 2 389.433 3.198 20 0 GGADLM Cc1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n(-c2ccc(F)cc2)n1 ZINC000738462688 600053557 /nfs/dbraw/zinc/05/35/57/600053557.db2.gz RWAYGPQADLMINX-UHFFFAOYSA-N -1 2 393.396 3.029 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])n(-c2ccc(F)cc2)n1 ZINC000738463422 600054177 /nfs/dbraw/zinc/05/41/77/600054177.db2.gz BLZJUHXWZCYIRD-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM O=C([O-])Cc1csc(NS(=O)(=O)c2ccc(SC(F)(F)F)cc2)n1 ZINC000738633245 600054210 /nfs/dbraw/zinc/05/42/10/600054210.db2.gz KZADLWYPGFBFRU-UHFFFAOYSA-N -1 2 398.409 3.183 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(-c2ccccc2C)n1 ZINC000738463643 600054296 /nfs/dbraw/zinc/05/42/96/600054296.db2.gz NZDNLWQSIUCZBW-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1ccsc1Cn1nccc1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000738798875 600054589 /nfs/dbraw/zinc/05/45/89/600054589.db2.gz QSRCARCGAMCLMX-UHFFFAOYSA-N -1 2 391.474 3.109 20 0 GGADLM Cc1ccsc1Cn1nccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000738546190 600054593 /nfs/dbraw/zinc/05/45/93/600054593.db2.gz LXEZWAUPEDDLDD-UHFFFAOYSA-N -1 2 391.474 3.109 20 0 GGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000740144140 600054764 /nfs/dbraw/zinc/05/47/64/600054764.db2.gz KMTUQYWCDUPFSU-UHFFFAOYSA-N -1 2 392.433 3.372 20 0 GGADLM CC[C@@H]1CCc2nc(NS(=O)(=O)c3cccc(C)c3C(=O)[O-])sc2C1 ZINC000736940894 600055533 /nfs/dbraw/zinc/05/55/33/600055533.db2.gz VHYCYKNVBHZDGC-LLVKDONJSA-N -1 2 380.491 3.465 20 0 GGADLM CC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)sc2C1 ZINC000736939608 600055589 /nfs/dbraw/zinc/05/55/89/600055589.db2.gz PEPHUZBTVQIRDR-SECBINFHSA-N -1 2 384.454 3.296 20 0 GGADLM CC(C)(C)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n(C(C)(C)C)n1 ZINC000736293666 600055606 /nfs/dbraw/zinc/05/56/06/600055606.db2.gz DVBUSEVJIUTAEV-UHFFFAOYSA-N -1 2 379.482 3.435 20 0 GGADLM Cc1cccc(Cn2nccc2NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000738720614 600055986 /nfs/dbraw/zinc/05/59/86/600055986.db2.gz DBRLSHYWYUJVLG-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM O=C([O-])c1cccc(Cc2cnc(NS(=O)(=O)c3cccs3)s2)c1 ZINC000740229122 600056170 /nfs/dbraw/zinc/05/61/70/600056170.db2.gz XPHUVPLSBPBWDR-UHFFFAOYSA-N -1 2 380.472 3.294 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1C(=O)[O-] ZINC000738969178 600056181 /nfs/dbraw/zinc/05/61/81/600056181.db2.gz IXUOTCSTVHBBQV-UHFFFAOYSA-N -1 2 392.458 3.443 20 0 GGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000740146676 600056221 /nfs/dbraw/zinc/05/62/21/600056221.db2.gz UKQMJVNIBCZYLK-UHFFFAOYSA-N -1 2 388.348 3.213 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)s1 ZINC000740186309 600056309 /nfs/dbraw/zinc/05/63/09/600056309.db2.gz IRGHSHOIVGIGNI-UHFFFAOYSA-N -1 2 376.387 3.135 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)c1C(=O)[O-] ZINC000738746875 600058379 /nfs/dbraw/zinc/05/83/79/600058379.db2.gz MXYKUHVUYLCXLW-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccccc1OC(F)(F)F ZINC000740146863 600095125 /nfs/dbraw/zinc/09/51/25/600095125.db2.gz WJCHSQQIOWEKJO-UHFFFAOYSA-N -1 2 379.287 3.223 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)c(Cl)c2)s1 ZINC000740177577 600100352 /nfs/dbraw/zinc/10/03/52/600100352.db2.gz KJELDQVNPFJSQS-UHFFFAOYSA-N -1 2 383.838 3.086 20 0 GGADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3ccc(C)c(C)c3)nc2n1 ZINC000738345529 600102329 /nfs/dbraw/zinc/10/23/29/600102329.db2.gz GEVWNRXGXZMZNG-UHFFFAOYSA-N -1 2 377.447 3.116 20 0 GGADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3cc(Cl)ccc3C)nc2n1 ZINC000738345735 600102367 /nfs/dbraw/zinc/10/23/67/600102367.db2.gz JBKUBIYQKOMVMZ-UHFFFAOYSA-N -1 2 397.865 3.461 20 0 GGADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3ccc(Cl)cc3)nc2n1 ZINC000738346360 600102420 /nfs/dbraw/zinc/10/24/20/600102420.db2.gz RKRFIWYKYHHAML-UHFFFAOYSA-N -1 2 383.838 3.152 20 0 GGADLM Cc1ccc(C)c(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)c1 ZINC000738577030 600102459 /nfs/dbraw/zinc/10/24/59/600102459.db2.gz KGICKTBVQOKNTN-UHFFFAOYSA-N -1 2 377.447 3.116 20 0 GGADLM Cc1ccc(F)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)c1 ZINC000738607073 600103646 /nfs/dbraw/zinc/10/36/46/600103646.db2.gz WFYYYRLFGWZSHK-UHFFFAOYSA-N -1 2 378.425 3.233 20 0 GGADLM Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc2)o1 ZINC000738880368 600232725 /nfs/dbraw/zinc/23/27/25/600232725.db2.gz AJWYCSBQWKUWKO-UHFFFAOYSA-N -1 2 394.355 3.427 20 0 GGADLM Cc1nc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc2)co1 ZINC000738829493 600232735 /nfs/dbraw/zinc/23/27/35/600232735.db2.gz JXFJFKGLWVOAEE-UHFFFAOYSA-N -1 2 394.355 3.427 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c(F)cc1F ZINC000740090559 600233442 /nfs/dbraw/zinc/23/34/42/600233442.db2.gz XLRGPCLSGPGZPZ-UHFFFAOYSA-N -1 2 394.355 3.482 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c(C)s1 ZINC000738477051 600237366 /nfs/dbraw/zinc/23/73/66/600237366.db2.gz DHPUPGXKZYECKP-UHFFFAOYSA-N -1 2 377.390 3.465 20 0 GGADLM CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)sc2C1 ZINC000736937919 600244047 /nfs/dbraw/zinc/24/40/47/600244047.db2.gz IGLDFSKWQBBBKV-LLVKDONJSA-N -1 2 380.491 3.086 20 0 GGADLM Cc1cc2sc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)nc2c(C)c1 ZINC000738358297 600244403 /nfs/dbraw/zinc/24/44/03/600244403.db2.gz SZISIIMTEUMWDN-UHFFFAOYSA-N -1 2 376.459 3.341 20 0 GGADLM CC(C)n1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)ccc2n1 ZINC000736532793 600244560 /nfs/dbraw/zinc/24/45/60/600244560.db2.gz OIQLUYCBFDLTAA-UHFFFAOYSA-N -1 2 395.387 3.394 20 0 GGADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)cc1 ZINC000739889555 600245010 /nfs/dbraw/zinc/24/50/10/600245010.db2.gz OVKZXBCFQOUZQX-UHFFFAOYSA-N -1 2 388.470 3.162 20 0 GGADLM CN(C)c1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737375872 600423435 /nfs/dbraw/zinc/42/34/35/600423435.db2.gz OHEOPMAPZQFZEF-UHFFFAOYSA-N -1 2 390.795 3.183 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1Cl ZINC000509583257 600483163 /nfs/dbraw/zinc/48/31/63/600483163.db2.gz ABSYOWCUSCQSHR-UHFFFAOYSA-N -1 2 391.836 3.084 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1OC(F)F ZINC000738632917 600493122 /nfs/dbraw/zinc/49/31/22/600493122.db2.gz PQOLWSWSGATSQP-UHFFFAOYSA-N -1 2 393.314 3.374 20 0 GGADLM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccccc2)ns1 ZINC000740140190 600577393 /nfs/dbraw/zinc/57/73/93/600577393.db2.gz DHNFPFFZGBEZLF-UHFFFAOYSA-N -1 2 395.849 3.358 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(F)cc1Br ZINC000740089785 600612830 /nfs/dbraw/zinc/61/28/30/600612830.db2.gz LGQWRQFHPAXUAV-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2)c(F)cc1Br ZINC000740089778 600613095 /nfs/dbraw/zinc/61/30/95/600613095.db2.gz KZSBIBBZJGZMMR-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cs1 ZINC000833306205 600678436 /nfs/dbraw/zinc/67/84/36/600678436.db2.gz DNPJUWXDCRLBFJ-LBPRGKRZSA-N -1 2 397.474 3.195 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccccc2)c[nH]1 ZINC000068077582 600678903 /nfs/dbraw/zinc/67/89/03/600678903.db2.gz ARWBLAYBJRKGSF-UHFFFAOYSA-N -1 2 376.365 3.445 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccsc2)c(F)cc1Br ZINC000833306303 600685231 /nfs/dbraw/zinc/68/52/31/600685231.db2.gz NUQBPQJPMDRUSY-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM Cc1noc2ncc(NS(=O)(=O)c3c4ccccc4sc3C(=O)[O-])cc12 ZINC000833023586 600685801 /nfs/dbraw/zinc/68/58/01/600685801.db2.gz GFOVRSQLDSNGBM-UHFFFAOYSA-N -1 2 389.414 3.245 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(-c2ccccc2F)n1 ZINC000832899516 600815303 /nfs/dbraw/zinc/81/53/03/600815303.db2.gz NJLGFRXMVJGNFQ-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1cccc(Cn2nccc2NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000832970448 600815679 /nfs/dbraw/zinc/81/56/79/600815679.db2.gz XNZYPUZFPHLLKH-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2cccc(F)c2C)c1OC ZINC000831973028 600818050 /nfs/dbraw/zinc/81/80/50/600818050.db2.gz XJGBRSRLWHUBBX-FPLPWBNLSA-N -1 2 395.408 3.050 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)cc1C(=O)[O-] ZINC000832956655 600828567 /nfs/dbraw/zinc/82/85/67/600828567.db2.gz OJICJIQSXLNCIO-UHFFFAOYSA-N -1 2 384.385 3.382 20 0 GGADLM Cn1cc(S(=O)(=O)Nc2nc(/C=C\c3ccccc3)cs2)cc1C(=O)[O-] ZINC000833055267 600830426 /nfs/dbraw/zinc/83/04/26/600830426.db2.gz FIGLHXSLHSZRIX-FPLPWBNLSA-N -1 2 389.458 3.151 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n(-c2ccccc2F)n1 ZINC000738463853 600891929 /nfs/dbraw/zinc/89/19/29/600891929.db2.gz XVIIERULOOHJIS-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000608342007 600899513 /nfs/dbraw/zinc/89/95/13/600899513.db2.gz AOURAVHIMBJJTB-UHFFFAOYSA-N -1 2 379.482 3.244 20 0 GGADLM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 ZINC000484964352 600899955 /nfs/dbraw/zinc/89/99/55/600899955.db2.gz VTSUXQDYUCIBTG-UHFFFAOYSA-N -1 2 399.472 3.094 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n(-c2ccc(F)cc2)n1 ZINC000832898999 600974829 /nfs/dbraw/zinc/97/48/29/600974829.db2.gz AGJNBMFNIXWJNT-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC000832898448 600974987 /nfs/dbraw/zinc/97/49/87/600974987.db2.gz KESFNZUSJWSJIO-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n(Cc2ccccc2)n1 ZINC000832899363 600976964 /nfs/dbraw/zinc/97/69/64/600976964.db2.gz JFGQWQHPEGWYEE-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM Cc1nc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)sc1Cc1ccccc1F ZINC000833003201 600977431 /nfs/dbraw/zinc/97/74/31/600977431.db2.gz QPCAPMKKKOCUEK-UHFFFAOYSA-N -1 2 395.437 3.009 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)cs1 ZINC000833306234 600977465 /nfs/dbraw/zinc/97/74/65/600977465.db2.gz LATGGVVYMCFIOY-UHFFFAOYSA-N -1 2 380.472 3.294 20 0 GGADLM Cc1nc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)sc1Cc1ccc(F)cc1 ZINC000833003775 600977562 /nfs/dbraw/zinc/97/75/62/600977562.db2.gz XOFZRGSDLPFPCC-UHFFFAOYSA-N -1 2 395.437 3.009 20 0 GGADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)c1 ZINC000833297483 600981717 /nfs/dbraw/zinc/98/17/17/600981717.db2.gz OTGQVVZIOJXUIB-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM CC(C)Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000826924868 600982437 /nfs/dbraw/zinc/98/24/37/600982437.db2.gz SUAQHBPFAJYLSD-UHFFFAOYSA-N -1 2 388.449 3.033 20 0 GGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000833318035 600988912 /nfs/dbraw/zinc/98/89/12/600988912.db2.gz DICZZESNOYMWKX-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n(C)n1 ZINC000832903495 600995750 /nfs/dbraw/zinc/99/57/50/600995750.db2.gz JMTLBXVDCYTGOL-UHFFFAOYSA-N -1 2 385.445 3.203 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)ccc1Cl ZINC000460832768 601046963 /nfs/dbraw/zinc/04/69/63/601046963.db2.gz YOKYQEOYCZFHCH-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM O=C([O-])Nc1cc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)ccc1F ZINC000740013407 601047226 /nfs/dbraw/zinc/04/72/26/601047226.db2.gz NNLKSSUAHVTAEC-UHFFFAOYSA-N -1 2 394.359 3.041 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Br)c(F)c2)c1 ZINC000387985290 601049211 /nfs/dbraw/zinc/04/92/11/601049211.db2.gz RMYKQYFGMSPCLS-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000829372960 601201612 /nfs/dbraw/zinc/20/16/12/601201612.db2.gz ACJAIDGZUMSBMP-DHZHZOJOSA-N -1 2 377.466 3.280 20 0 GGADLM Cc1cccc(Cn2nccc2NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000832970138 601329202 /nfs/dbraw/zinc/32/92/02/601329202.db2.gz STXKEAXXJUAFBG-YFHOEESVSA-N -1 2 397.456 3.138 20 0 GGADLM Cc1cccc(Cn2nccc2NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000832970135 601329454 /nfs/dbraw/zinc/32/94/54/601329454.db2.gz STXKEAXXJUAFBG-JXMROGBWSA-N -1 2 397.456 3.138 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(-c2ccccc2C)n1 ZINC000832899300 601358729 /nfs/dbraw/zinc/35/87/29/601358729.db2.gz HVWJRHSTPKYHLJ-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)CCCCCC2 ZINC000832208636 601358857 /nfs/dbraw/zinc/35/88/57/601358857.db2.gz JTJQGWWAYNHPHK-UHFFFAOYSA-N -1 2 396.490 3.310 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)c(C)ccc2C ZINC000832208848 601358983 /nfs/dbraw/zinc/35/89/83/601358983.db2.gz YFIOPHKJQRCPJP-UHFFFAOYSA-N -1 2 392.458 3.421 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n(Cc2ccccc2)n1 ZINC000832900030 601358986 /nfs/dbraw/zinc/35/89/86/601358986.db2.gz YGFNPESKMLPENC-FMIVXFBMSA-N -1 2 397.456 3.138 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n(-c2ccccc2C)n1 ZINC000832899977 601359048 /nfs/dbraw/zinc/35/90/48/601359048.db2.gz XCFSXBJURNAZHL-XFXZXTDPSA-N -1 2 397.456 3.388 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n(-c2ccccc2C)n1 ZINC000832899975 601359071 /nfs/dbraw/zinc/35/90/71/601359071.db2.gz XCFSXBJURNAZHL-FMIVXFBMSA-N -1 2 397.456 3.388 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)ccc1F ZINC000833306361 601360349 /nfs/dbraw/zinc/36/03/49/601360349.db2.gz XXMSUKBVHUHSCS-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)c1C ZINC000832868462 601360589 /nfs/dbraw/zinc/36/05/89/601360589.db2.gz UDPSTLVFOPBGCT-UHFFFAOYSA-N -1 2 379.482 3.125 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)ccc1C(=O)[O-] ZINC000832904368 601361890 /nfs/dbraw/zinc/36/18/90/601361890.db2.gz JFLITYQUQBSWHP-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n(C)n1 ZINC000832973397 601362009 /nfs/dbraw/zinc/36/20/09/601362009.db2.gz AJHYUZZTATZAGS-XFXZXTDPSA-N -1 2 397.456 3.294 20 0 GGADLM Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832976586 601362046 /nfs/dbraw/zinc/36/20/46/601362046.db2.gz SSPJBRSSKVJJLN-DHZHZOJOSA-N -1 2 383.429 3.079 20 0 GGADLM COCc1cccc(S(=O)(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000831822189 601362924 /nfs/dbraw/zinc/36/29/24/601362924.db2.gz VJWOWGHQCDKGBG-UHFFFAOYSA-N -1 2 384.479 3.086 20 0 GGADLM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccccc1OCC1CC1 ZINC000833344753 601485500 /nfs/dbraw/zinc/48/55/00/601485500.db2.gz IPEMSDNZHQGMFA-UHFFFAOYSA-N -1 2 382.825 3.023 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(Cl)c(Br)c1 ZINC000833345426 601491966 /nfs/dbraw/zinc/49/19/66/601491966.db2.gz SMIYLLFOMIKKTQ-UHFFFAOYSA-N -1 2 397.659 3.058 20 0 GGADLM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000833317877 601492613 /nfs/dbraw/zinc/49/26/13/601492613.db2.gz NEDUMMNOBHBNCK-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM CC(C)Cc1nnc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])s1 ZINC000392963430 601501585 /nfs/dbraw/zinc/50/15/85/601501585.db2.gz CAWXGKBCDFBMPR-UHFFFAOYSA-N -1 2 397.503 3.450 20 0 GGADLM CCC(CC)c1nnc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000828869650 601501954 /nfs/dbraw/zinc/50/19/54/601501954.db2.gz DDTJNGLJLCFKTA-UHFFFAOYSA-N -1 2 399.494 3.096 20 0 GGADLM CCCCCc1nnc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000829373461 601502424 /nfs/dbraw/zinc/50/24/24/601502424.db2.gz XELBGWPKPKMMMM-DHZHZOJOSA-N -1 2 381.479 3.169 20 0 GGADLM CC(C)c1nnc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])s1 ZINC000827168461 601503370 /nfs/dbraw/zinc/50/33/70/601503370.db2.gz HGEVHLACFRTBQI-UHFFFAOYSA-N -1 2 383.476 3.375 20 0 GGADLM CCCc1nnc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])s1 ZINC000829573717 601503474 /nfs/dbraw/zinc/50/34/74/601503474.db2.gz FAWIHPIZKJOVCI-UHFFFAOYSA-N -1 2 383.476 3.204 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)s1 ZINC000833323936 601503945 /nfs/dbraw/zinc/50/39/45/601503945.db2.gz DFNVBAQIFLYRHO-UHFFFAOYSA-N -1 2 387.508 3.221 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000833318933 601503960 /nfs/dbraw/zinc/50/39/60/601503960.db2.gz ZBVSTIYSCNFPMK-UHFFFAOYSA-N -1 2 385.442 3.224 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)ccc1C(=O)[O-] ZINC000832904547 601504019 /nfs/dbraw/zinc/50/40/19/601504019.db2.gz RODKAEUMZJFHSJ-UHFFFAOYSA-N -1 2 395.506 3.468 20 0 GGADLM COc1ccc(-c2cc3[nH]c(CN4CCCC[C@@H]4C(=O)[O-])nc(=O)c3s2)cc1 ZINC000832115888 601576455 /nfs/dbraw/zinc/57/64/55/601576455.db2.gz BNCNWFQUIZMABZ-OAHLLOKOSA-N -1 2 399.472 3.099 20 0 GGADLM Cc1c2nc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)sc2ccc1F ZINC000832854164 601627889 /nfs/dbraw/zinc/62/78/89/601627889.db2.gz AOYPYQCFTLUQGA-UHFFFAOYSA-N -1 2 384.385 3.382 20 0 GGADLM Cc1c2nc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2ccc1F ZINC000832854356 601627925 /nfs/dbraw/zinc/62/79/25/601627925.db2.gz GQIOAECQIYVRQF-UHFFFAOYSA-N -1 2 384.385 3.382 20 0 GGADLM Cc1cc2cccnc2c(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)c1 ZINC000832904304 601772657 /nfs/dbraw/zinc/77/26/57/601772657.db2.gz GAMJTXYEQOXPPG-UHFFFAOYSA-N -1 2 391.474 3.208 20 0 GGADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3cc(C)c(F)cc3F)nc2n1 ZINC000832866168 601795340 /nfs/dbraw/zinc/79/53/40/601795340.db2.gz AKXGCZLVJBCVAE-UHFFFAOYSA-N -1 2 399.400 3.085 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnccc2-c2cccc(F)c2)cs1 ZINC000833306323 601795748 /nfs/dbraw/zinc/79/57/48/601795748.db2.gz PUOMYIOCXLHDIC-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000833345739 601831439 /nfs/dbraw/zinc/83/14/39/601831439.db2.gz WYYTWSKZBBMCKS-UHFFFAOYSA-N -1 2 386.760 3.314 20 0 GGADLM Cc1cc(NS(=O)(=O)c2csnc2C(=O)[O-])ccc1Oc1cccnc1 ZINC000832898001 601837846 /nfs/dbraw/zinc/83/78/46/601837846.db2.gz AUGQJYAJPCKSFS-UHFFFAOYSA-N -1 2 391.430 3.138 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000833346997 601838960 /nfs/dbraw/zinc/83/89/60/601838960.db2.gz ZEBOHZGPTDXYBP-UHFFFAOYSA-N -1 2 381.460 3.129 20 0 GGADLM COc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)sc2c1 ZINC000326697349 601843432 /nfs/dbraw/zinc/84/34/32/601843432.db2.gz UGJQVLZYFRQFEU-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM CCCCc1nnc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000829440390 601843847 /nfs/dbraw/zinc/84/38/47/601843847.db2.gz JVVNKVCTEVBZQE-UHFFFAOYSA-N -1 2 375.859 3.033 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)ccc1Cl ZINC000833306181 601844166 /nfs/dbraw/zinc/84/41/66/601844166.db2.gz CPUXMIBXFCMKFI-UHFFFAOYSA-N -1 2 391.836 3.084 20 0 GGADLM CC[C@H]1CCc2nc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2C1 ZINC000829134059 601847564 /nfs/dbraw/zinc/84/75/64/601847564.db2.gz LFBWEKMUPQXFOS-VIFPVBQESA-N -1 2 384.454 3.296 20 0 GGADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)c1 ZINC000759680783 601854001 /nfs/dbraw/zinc/85/40/01/601854001.db2.gz RZQGDFSMHKZYKD-GFCCVEGCSA-N -1 2 397.836 3.007 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)c(Cl)c1 ZINC000489564161 601855046 /nfs/dbraw/zinc/85/50/46/601855046.db2.gz RILVZQYTXDCTIS-LBPRGKRZSA-N -1 2 397.836 3.007 20 0 GGADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(F)ccc1OC(F)F ZINC000833294977 601856292 /nfs/dbraw/zinc/85/62/92/601856292.db2.gz PTHZFTYDZGSMKH-UHFFFAOYSA-N -1 2 379.287 3.065 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)cc1C(=O)[O-] ZINC000832956698 602103637 /nfs/dbraw/zinc/10/36/37/602103637.db2.gz UDGRNRBCKZKDNE-UHFFFAOYSA-N -1 2 381.460 3.074 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)ccc1C(=O)[O-] ZINC000832904420 602103726 /nfs/dbraw/zinc/10/37/26/602103726.db2.gz MOYURFAZVWKWAT-UHFFFAOYSA-N -1 2 381.460 3.074 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)c(Cl)cc1F ZINC000832904249 602103993 /nfs/dbraw/zinc/10/39/93/602103993.db2.gz BXTWENBVFQQCLK-UHFFFAOYSA-N -1 2 392.861 3.452 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])[nH]nc1C1CC1 ZINC000832853761 602104057 /nfs/dbraw/zinc/10/40/57/602104057.db2.gz UPZZCFNAXOXKQC-UHFFFAOYSA-N -1 2 389.355 3.113 20 0 GGADLM O=C([O-])CCCc1nnc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000833232499 602105898 /nfs/dbraw/zinc/10/58/98/602105898.db2.gz XCBHUPVVIJIJND-UHFFFAOYSA-N -1 2 396.277 3.053 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1Br ZINC000832468892 602115775 /nfs/dbraw/zinc/11/57/75/602115775.db2.gz SEJDCZGSMSBWNV-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM O=C([O-])c1csc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000833343591 602116494 /nfs/dbraw/zinc/11/64/94/602116494.db2.gz IZBYVQOUUXZPBB-UHFFFAOYSA-N -1 2 381.353 3.188 20 0 GGADLM COC(=O)c1csc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000831466764 602117649 /nfs/dbraw/zinc/11/76/49/602117649.db2.gz DWCQHBLQBDFGTC-UHFFFAOYSA-N -1 2 397.455 3.248 20 0 GGADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000831851853 602119851 /nfs/dbraw/zinc/11/98/51/602119851.db2.gz KUYLTFLGSCYQLT-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM O=C([O-])c1nscc1NS(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000833347327 602156579 /nfs/dbraw/zinc/15/65/79/602156579.db2.gz YPDKXEZYNBLNMI-UHFFFAOYSA-N -1 2 384.382 3.254 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000833334569 602157663 /nfs/dbraw/zinc/15/76/63/602157663.db2.gz SCKWETYTPCRROV-UHFFFAOYSA-N -1 2 395.849 3.358 20 0 GGADLM Cc1cc(Cl)ncc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000165997708 602158431 /nfs/dbraw/zinc/15/84/31/602158431.db2.gz SMXTZLPGQRAXNC-UHFFFAOYSA-N -1 2 379.196 3.335 20 0 GGADLM Cc1cc(N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000832891181 602176181 /nfs/dbraw/zinc/17/61/81/602176181.db2.gz NEYKGZFVSSBNKF-LBPRGKRZSA-N -1 2 395.506 3.329 20 0 GGADLM Cc1[nH]c(C(=O)CS(=O)(=O)[C@@H](C)c2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC000832843466 602182136 /nfs/dbraw/zinc/18/21/36/602182136.db2.gz MRKYICJCPZVPHX-NSHDSACASA-N -1 2 383.853 3.342 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 ZINC000833324461 602212466 /nfs/dbraw/zinc/21/24/66/602212466.db2.gz QXEXOMZUCSKPJZ-UHFFFAOYSA-N -1 2 395.849 3.358 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 ZINC000833334146 602212690 /nfs/dbraw/zinc/21/26/90/602212690.db2.gz KNOBNLLRVNQWTQ-UHFFFAOYSA-N -1 2 395.849 3.358 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nnc(-c2ccccc2)s1 ZINC000832852572 602306642 /nfs/dbraw/zinc/30/66/42/602306642.db2.gz AXNDRNDZGNLWNF-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(CCc3ccccc3)n[nH]2)ccc1C(=O)[O-] ZINC000832903751 602306661 /nfs/dbraw/zinc/30/66/61/602306661.db2.gz RCSDLWKZUWAGAL-UHFFFAOYSA-N -1 2 385.445 3.002 20 0 GGADLM Cc1nc(NS(=O)(=O)c2cccc(C)c2Br)sc1C(=O)[O-] ZINC000832972576 604776145 /nfs/dbraw/zinc/77/61/45/604776145.db2.gz GRDPPMJAIYZYOV-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM CCCCn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1C ZINC000160161033 604791934 /nfs/dbraw/zinc/79/19/34/604791934.db2.gz BWXOTGZGWBVRKG-UHFFFAOYSA-N -1 2 389.836 3.283 20 0 GGADLM Cn1cc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1C(=O)[O-] ZINC000833050812 604807554 /nfs/dbraw/zinc/80/75/54/604807554.db2.gz MXFCXRZJERXGTN-UHFFFAOYSA-N -1 2 399.675 3.002 20 0 GGADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1F ZINC000832887171 604809156 /nfs/dbraw/zinc/80/91/56/604809156.db2.gz DKCDQTFAMINFCU-UHFFFAOYSA-N -1 2 391.779 3.191 20 0 GGADLM Cc1sc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c(C(=O)[O-])c1C ZINC000833757955 605022702 /nfs/dbraw/zinc/02/27/02/605022702.db2.gz FOWONZZIMROXCI-UHFFFAOYSA-N -1 2 383.447 3.025 20 0 GGADLM COc1cc(F)c(S(=O)(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1OC ZINC000833728595 605022712 /nfs/dbraw/zinc/02/27/12/605022712.db2.gz GMGFPBDTJJIUNZ-UHFFFAOYSA-N -1 2 389.426 3.020 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2nnc(/C=C\c3ccco3)s2)cc1C(=O)[O-] ZINC000833750943 605027233 /nfs/dbraw/zinc/02/72/33/605027233.db2.gz IGFBKGKKBRCYGK-ALCCZGGFSA-N -1 2 391.430 3.109 20 0 GGADLM CC(C)c1cccnc1NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000833511387 605053768 /nfs/dbraw/zinc/05/37/68/605053768.db2.gz PDMYDYAGFWEDBJ-UHFFFAOYSA-N -1 2 399.266 3.467 20 0 GGADLM CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833476028 605134626 /nfs/dbraw/zinc/13/46/26/605134626.db2.gz WYTFHCWJIRZJIM-CQSZACIVSA-N -1 2 391.493 3.407 20 0 GGADLM CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833476025 605134685 /nfs/dbraw/zinc/13/46/85/605134685.db2.gz WYTFHCWJIRZJIM-AWEZNQCLSA-N -1 2 391.493 3.407 20 0 GGADLM CC(C)(C)c1cnc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])s1 ZINC000833449040 605181644 /nfs/dbraw/zinc/18/16/44/605181644.db2.gz FNFZSTGCDHBYMO-UHFFFAOYSA-N -1 2 391.474 3.488 20 0 GGADLM CCc1nc(NS(=O)(=O)c2c(C)ccc3cccnc32)sc1C(=O)[O-] ZINC000833674881 605302350 /nfs/dbraw/zinc/30/23/50/605302350.db2.gz GNPMVBSIHZCMCQ-UHFFFAOYSA-N -1 2 377.447 3.061 20 0 GGADLM CCn1c(=O)c2ccc(C(=O)OCc3ccc(NC(=O)[O-])cc3)cc2[nH]c1=S ZINC000833683962 605402922 /nfs/dbraw/zinc/40/29/22/605402922.db2.gz NLDWVJCMBOJDIE-UHFFFAOYSA-N -1 2 399.428 3.152 20 0 GGADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc(OC)c1C(C)C ZINC000778566407 605419887 /nfs/dbraw/zinc/41/98/87/605419887.db2.gz JRDNQZRTWZTKSE-UHFFFAOYSA-N -1 2 397.424 3.465 20 0 GGADLM CC(C)C[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c2C1 ZINC000833488534 605447435 /nfs/dbraw/zinc/44/74/35/605447435.db2.gz QFAWVUQZKNLAQN-UHFFFAOYSA-N -1 2 380.491 3.219 20 0 GGADLM CC(C)C[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c2C1 ZINC000833488534 605447439 /nfs/dbraw/zinc/44/74/39/605447439.db2.gz QFAWVUQZKNLAQN-UHFFFAOYSA-N -1 2 380.491 3.219 20 0 GGADLM CC(C)(C)c1nc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])no1 ZINC000833451176 605585523 /nfs/dbraw/zinc/58/55/23/605585523.db2.gz SSUDYJKGYQGBIO-UHFFFAOYSA-N -1 2 381.435 3.081 20 0 GGADLM Cc1sc(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)c(-c2nn[nH]n2)c1C ZINC000822558055 606115828 /nfs/dbraw/zinc/11/58/28/606115828.db2.gz LTSMITZCWOCRBX-APPDUMDISA-N -1 2 382.493 3.177 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(OC[C@H]3CCCO3)c2)sc1C(=O)[O-] ZINC000055583902 1407012988 /nfs/dbraw/zinc/01/29/88/1407012988.db2.gz DGIAVHOEYUHWOS-CQSZACIVSA-N -1 2 397.474 3.113 20 0 GGADLM COC(=O)c1cc2cc(NS(=O)(=O)c3cc(C)c(C(=O)[O-])s3)ccc2o1 ZINC000055610130 1407023552 /nfs/dbraw/zinc/02/35/52/1407023552.db2.gz RUCRSFSGUDEWMR-UHFFFAOYSA-N -1 2 395.414 3.088 20 0 GGADLM Cc1c(F)cccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000043321366 1403747501 /nfs/dbraw/zinc/74/75/01/1403747501.db2.gz QYFSCILLSZGURD-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM CCOC(=O)/C=C\c1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000045774852 1404200273 /nfs/dbraw/zinc/20/02/73/1404200273.db2.gz BOQNHBWRXRWYSN-TWGQIWQCSA-N -1 2 395.458 3.132 20 0 GGADLM CCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000045774853 1404200431 /nfs/dbraw/zinc/20/04/31/1404200431.db2.gz BOQNHBWRXRWYSN-RMKNXTFCSA-N -1 2 395.458 3.132 20 0 GGADLM Cc1ccc(-n2cc(S(=O)(=O)Nc3ccc4c(C(=O)[O-])c[nH]c4c3)cn2)cc1 ZINC000078869851 1409938978 /nfs/dbraw/zinc/93/89/78/1409938978.db2.gz GVWYNARYUAPQJS-UHFFFAOYSA-N -1 2 396.428 3.161 20 0 GGADLM COC(=O)c1cccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1 ZINC000102907589 1410806194 /nfs/dbraw/zinc/80/61/94/1410806194.db2.gz HDTHNLYOCIWCTA-UHFFFAOYSA-N -1 2 391.836 3.113 20 0 GGADLM Cc1cc(C(=O)Nc2cccc(CCC(F)(F)F)c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000176950549 1428528644 /nfs/dbraw/zinc/52/86/44/1428528644.db2.gz BLXCKOCBFFHQFD-UHFFFAOYSA-N -1 2 392.337 3.079 20 0 GGADLM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000118301151 1413146170 /nfs/dbraw/zinc/14/61/70/1413146170.db2.gz LZHDFLSWYYSMLN-UHFFFAOYSA-N -1 2 391.371 3.068 20 0 GGADLM Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000151477984 1417993350 /nfs/dbraw/zinc/99/33/50/1417993350.db2.gz UBTHYCNAAYBJDZ-UHFFFAOYSA-N -1 2 386.411 3.175 20 0 GGADLM Cc1cc(C(=O)Nc2ccccc2-c2cccs2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000151583623 1418031820 /nfs/dbraw/zinc/03/18/20/1418031820.db2.gz QDRPLPJRSAEDRM-UHFFFAOYSA-N -1 2 378.413 3.313 20 0 GGADLM Cc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1cc(C)ccc1C ZINC000179014527 1429242820 /nfs/dbraw/zinc/24/28/20/1429242820.db2.gz QSVFZUMXFZDSEX-UHFFFAOYSA-N -1 2 385.445 3.297 20 0 GGADLM CC(C)Cc1nnc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)s1 ZINC000824279992 1429249116 /nfs/dbraw/zinc/24/91/16/1429249116.db2.gz AIWNNCAHSORRLB-UHFFFAOYSA-N -1 2 398.279 3.476 20 0 GGADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c1 ZINC000179545066 1429422152 /nfs/dbraw/zinc/42/21/52/1429422152.db2.gz CNGVSYMBFKQFEP-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C ZINC000152578633 1422151103 /nfs/dbraw/zinc/15/11/03/1422151103.db2.gz CWZLGJFVGMIFQM-UHFFFAOYSA-N -1 2 385.445 3.242 20 0 GGADLM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000154702188 1423006053 /nfs/dbraw/zinc/00/60/53/1423006053.db2.gz DUOHWJOCUZENCP-UHFFFAOYSA-N -1 2 382.228 3.477 20 0 GGADLM Cc1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000154833771 1423049386 /nfs/dbraw/zinc/04/93/86/1423049386.db2.gz FBPRWENURCCLJS-UHFFFAOYSA-N -1 2 387.399 3.328 20 0 GGADLM CSc1cccc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826230661 1423756907 /nfs/dbraw/zinc/75/69/07/1423756907.db2.gz DQPYURGDZANVLF-UHFFFAOYSA-N -1 2 381.870 3.043 20 0 GGADLM CSc1cccc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826230661 1423756911 /nfs/dbraw/zinc/75/69/11/1423756911.db2.gz DQPYURGDZANVLF-UHFFFAOYSA-N -1 2 381.870 3.043 20 0 GGADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1C(=O)[O-] ZINC000156308785 1423770422 /nfs/dbraw/zinc/77/04/22/1423770422.db2.gz BOFAETCBDNHXMP-UHFFFAOYSA-N -1 2 375.381 3.023 20 0 GGADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)c1 ZINC000157684485 1424064915 /nfs/dbraw/zinc/06/49/15/1424064915.db2.gz QWTPFSCNKBFZDE-UHFFFAOYSA-N -1 2 380.328 3.119 20 0 GGADLM C[C@@H](NC(=O)Nc1nncs1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824507425 1424203178 /nfs/dbraw/zinc/20/31/78/1424203178.db2.gz XIAKSAVROHHCIT-LLVKDONJSA-N -1 2 392.448 3.268 20 0 GGADLM C[C@@H](NC(=O)Nc1nncs1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824507425 1424203187 /nfs/dbraw/zinc/20/31/87/1424203187.db2.gz XIAKSAVROHHCIT-LLVKDONJSA-N -1 2 392.448 3.268 20 0 GGADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c1 ZINC000160058934 1424567479 /nfs/dbraw/zinc/56/74/79/1424567479.db2.gz XHMXEEYKSJAQCX-UHFFFAOYSA-N -1 2 380.328 3.119 20 0 GGADLM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccc(F)cc1O ZINC000826459426 1425154241 /nfs/dbraw/zinc/15/42/41/1425154241.db2.gz JCRIXRTYGNKMNK-UHFFFAOYSA-N -1 2 382.380 3.087 20 0 GGADLM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1ccc(F)cc1O ZINC000826459426 1425154247 /nfs/dbraw/zinc/15/42/47/1425154247.db2.gz JCRIXRTYGNKMNK-UHFFFAOYSA-N -1 2 382.380 3.087 20 0 GGADLM O=S(=O)(Nc1ncc(C2CCCCC2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826493351 1425228851 /nfs/dbraw/zinc/22/88/51/1425228851.db2.gz GRLNYAFOJIHPCN-UHFFFAOYSA-N -1 2 390.494 3.172 20 0 GGADLM O=S(=O)(Nc1ncc(C2CCCCC2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826493351 1425228861 /nfs/dbraw/zinc/22/88/61/1425228861.db2.gz GRLNYAFOJIHPCN-UHFFFAOYSA-N -1 2 390.494 3.172 20 0 GGADLM CC(C)(C)c1csc([C@H]2CN(c3ccc(-c4nnn[n-]4)cc3F)CCO2)n1 ZINC000735652491 1425324685 /nfs/dbraw/zinc/32/46/85/1425324685.db2.gz NGTFMMVSCYVBLA-CQSZACIVSA-N -1 2 388.472 3.338 20 0 GGADLM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000823382682 1426256758 /nfs/dbraw/zinc/25/67/58/1426256758.db2.gz DAPNGXWEDDPKMV-UHFFFAOYSA-N -1 2 389.853 3.352 20 0 GGADLM CCSc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736665019 1426801627 /nfs/dbraw/zinc/80/16/27/1426801627.db2.gz CZKYBRCOLIRLMX-UHFFFAOYSA-N -1 2 395.897 3.433 20 0 GGADLM CCSc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736665019 1426801637 /nfs/dbraw/zinc/80/16/37/1426801637.db2.gz CZKYBRCOLIRLMX-UHFFFAOYSA-N -1 2 395.897 3.433 20 0 GGADLM Cc1nc(-c2cccc(NC(=O)c3cc(C)c4c(=O)[nH]c(=O)nc-4[n-]3)c2)cs1 ZINC000173669703 1426815526 /nfs/dbraw/zinc/81/55/26/1426815526.db2.gz KOCMFMRCUBNLBQ-UHFFFAOYSA-N -1 2 393.428 3.016 20 0 GGADLM CCCSc1nsc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821138893 1427056895 /nfs/dbraw/zinc/05/68/95/1427056895.db2.gz JMFPCCTULYGZGJ-SECBINFHSA-N -1 2 390.498 3.103 20 0 GGADLM CCCSc1nsc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821138893 1427056899 /nfs/dbraw/zinc/05/68/99/1427056899.db2.gz JMFPCCTULYGZGJ-SECBINFHSA-N -1 2 390.498 3.103 20 0 GGADLM Cc1cc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000174371341 1427125698 /nfs/dbraw/zinc/12/56/98/1427125698.db2.gz CZADCRROJXPWLV-UHFFFAOYSA-N -1 2 393.428 3.072 20 0 GGADLM Cc1cc(C(=O)Nc2cccc(Nc3ccccc3)c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000174806961 1427379354 /nfs/dbraw/zinc/37/93/54/1427379354.db2.gz ULYGITMXLWPPMD-UHFFFAOYSA-N -1 2 387.399 3.328 20 0 GGADLM Cc1cc2cc(NS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)ccc2[nH]1 ZINC000826272936 1427809468 /nfs/dbraw/zinc/80/94/68/1427809468.db2.gz HSXIOBHPRHVRGP-UHFFFAOYSA-N -1 2 388.840 3.111 20 0 GGADLM Cc1cc2cc(NS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)ccc2[nH]1 ZINC000826272936 1427809479 /nfs/dbraw/zinc/80/94/79/1427809479.db2.gz HSXIOBHPRHVRGP-UHFFFAOYSA-N -1 2 388.840 3.111 20 0 GGADLM Cc1cc(C(=O)Nc2ccccc2Nc2ccccc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000180804427 1430050216 /nfs/dbraw/zinc/05/02/16/1430050216.db2.gz FBEVAQQZRYOACU-UHFFFAOYSA-N -1 2 387.399 3.328 20 0 GGADLM Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000181785482 1430359824 /nfs/dbraw/zinc/35/98/24/1430359824.db2.gz APNBSGYNQUAXOE-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000184656252 1430932084 /nfs/dbraw/zinc/93/20/84/1430932084.db2.gz HCMCWXKCOBEWFZ-ZDUSSCGKSA-N -1 2 393.509 3.220 20 0 GGADLM CC[C@@H](Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1)C(=O)[O-] ZINC000184900660 1431016853 /nfs/dbraw/zinc/01/68/53/1431016853.db2.gz CRTLOMUYAORRQW-INIZCTEOSA-N -1 2 399.472 3.326 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cnn1C1CCCC1 ZINC000194227274 1433143622 /nfs/dbraw/zinc/14/36/22/1433143622.db2.gz XUKHIPUHWIXHTI-UHFFFAOYSA-N -1 2 385.392 3.084 20 0 GGADLM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000274727675 1435088062 /nfs/dbraw/zinc/08/80/62/1435088062.db2.gz HLZUPYAOHCHCLB-UHFFFAOYSA-N -1 2 391.371 3.068 20 0 GGADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000277559004 1435312762 /nfs/dbraw/zinc/31/27/62/1435312762.db2.gz RMDAWTDHFZEARJ-GMSGAONNSA-N -1 2 393.305 3.091 20 0 GGADLM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1nnc(C=Cc2ccco2)s1 ZINC000826408592 1442006739 /nfs/dbraw/zinc/00/67/39/1442006739.db2.gz NHMBIFLWHVUIDU-NTMALXAHSA-N -1 2 393.432 3.053 20 0 GGADLM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1nnc(C=Cc2ccco2)s1 ZINC000826408592 1442006740 /nfs/dbraw/zinc/00/67/40/1442006740.db2.gz NHMBIFLWHVUIDU-NTMALXAHSA-N -1 2 393.432 3.053 20 0 GGADLM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1nc(-c2cccs2)ns1 ZINC000826408821 1442186423 /nfs/dbraw/zinc/18/64/23/1442186423.db2.gz WQFBMWGBGHBWBF-UHFFFAOYSA-N -1 2 383.462 3.018 20 0 GGADLM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1nc(-c2cccs2)ns1 ZINC000826408821 1442186426 /nfs/dbraw/zinc/18/64/26/1442186426.db2.gz WQFBMWGBGHBWBF-UHFFFAOYSA-N -1 2 383.462 3.018 20 0 GGADLM C[C@@H](NC(=O)Nc1nnc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380394 1442376646 /nfs/dbraw/zinc/37/66/46/1442376646.db2.gz RVEABZDCQBNWPP-LLVKDONJSA-N -1 2 392.448 3.268 20 0 GGADLM C[C@@H](NC(=O)Nc1nnc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380394 1442376650 /nfs/dbraw/zinc/37/66/50/1442376650.db2.gz RVEABZDCQBNWPP-LLVKDONJSA-N -1 2 392.448 3.268 20 0 GGADLM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823382846 1443172652 /nfs/dbraw/zinc/17/26/52/1443172652.db2.gz DZUMFCHHMZPBIX-UHFFFAOYSA-N -1 2 389.853 3.352 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2cccnc2-c2ccccc2)c1-c1nn[n-]n1 ZINC000826303967 1443227551 /nfs/dbraw/zinc/22/75/51/1443227551.db2.gz PCSFVORIBDZRAR-UHFFFAOYSA-N -1 2 392.444 3.038 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2cccnc2-c2ccccc2)c1-c1nnn[n-]1 ZINC000826303967 1443227556 /nfs/dbraw/zinc/22/75/56/1443227556.db2.gz PCSFVORIBDZRAR-UHFFFAOYSA-N -1 2 392.444 3.038 20 0 GGADLM CC(C)Sc1ccccc1NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000820183925 1443406938 /nfs/dbraw/zinc/40/69/38/1443406938.db2.gz MWQDGUWCRCMDSJ-UHFFFAOYSA-N -1 2 375.479 3.168 20 0 GGADLM CC(C)Sc1ccccc1NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000820183925 1443406940 /nfs/dbraw/zinc/40/69/40/1443406940.db2.gz MWQDGUWCRCMDSJ-UHFFFAOYSA-N -1 2 375.479 3.168 20 0 GGADLM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1nnc(CC2CCCCC2)s1 ZINC000737956153 1443779238 /nfs/dbraw/zinc/77/92/38/1443779238.db2.gz WHKIYXAUQGYVAQ-UHFFFAOYSA-N -1 2 383.481 3.022 20 0 GGADLM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1nnc(CC2CCCCC2)s1 ZINC000737956153 1443779240 /nfs/dbraw/zinc/77/92/40/1443779240.db2.gz WHKIYXAUQGYVAQ-UHFFFAOYSA-N -1 2 383.481 3.022 20 0 GGADLM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Nc1cccnc1-c1ccccc1 ZINC000826280196 1447110493 /nfs/dbraw/zinc/11/04/93/1447110493.db2.gz QTKPOLSSKFPVAE-UHFFFAOYSA-N -1 2 392.444 3.038 20 0 GGADLM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1nnc(-c2ccccc2)s1 ZINC000737946415 1447295326 /nfs/dbraw/zinc/29/53/26/1447295326.db2.gz FTBDITAXSWVGNN-UHFFFAOYSA-N -1 2 395.473 3.116 20 0 GGADLM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1nnc(-c2ccccc2)s1 ZINC000737946415 1447295330 /nfs/dbraw/zinc/29/53/30/1447295330.db2.gz FTBDITAXSWVGNN-UHFFFAOYSA-N -1 2 395.473 3.116 20 0 GGADLM CC(C)(C)c1cnc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000819965428 1450307481 /nfs/dbraw/zinc/30/74/81/1450307481.db2.gz GNYNIOUVFRVLNN-UHFFFAOYSA-N -1 2 398.901 3.075 20 0 GGADLM CC(C)(C)c1cnc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000819965428 1450307488 /nfs/dbraw/zinc/30/74/88/1450307488.db2.gz GNYNIOUVFRVLNN-UHFFFAOYSA-N -1 2 398.901 3.075 20 0 GGADLM Cc1cc(C)cc(-c2nnc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)s2)c1 ZINC000822196577 1450409610 /nfs/dbraw/zinc/40/96/10/1450409610.db2.gz OFPOPWFADKOLOS-UHFFFAOYSA-N -1 2 391.460 3.183 20 0 GGADLM Cc1cc(C)cc(-c2nnc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)s2)c1 ZINC000822196577 1450409613 /nfs/dbraw/zinc/40/96/13/1450409613.db2.gz OFPOPWFADKOLOS-UHFFFAOYSA-N -1 2 391.460 3.183 20 0 GGADLM Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826330625 1450434839 /nfs/dbraw/zinc/43/48/39/1450434839.db2.gz BEULXYJQYKPRTE-CYBMUJFWSA-N -1 2 377.427 3.351 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(C#N)c(Br)c2)c1C(=O)[O-] ZINC000323538125 971013879 /nfs/dbraw/zinc/01/38/79/971013879.db2.gz NOQYWXQYCLOQAN-UHFFFAOYSA-N -1 2 399.222 3.030 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c[nH]nc32)c(Cl)cc1Cl ZINC000324887528 971167003 /nfs/dbraw/zinc/16/70/03/971167003.db2.gz NLOQZEIOYXKZLJ-UHFFFAOYSA-N -1 2 386.216 3.369 20 0 GGADLM COc1ccc2nc(NS(=O)(=O)c3c(C)csc3C(=O)[O-])sc2c1 ZINC000325863217 971249836 /nfs/dbraw/zinc/24/98/36/971249836.db2.gz FXBAWKROEBXSML-UHFFFAOYSA-N -1 2 384.460 3.174 20 0 GGADLM CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1Cl ZINC000327037289 971358927 /nfs/dbraw/zinc/35/89/27/971358927.db2.gz TYFHGYQHWRENKB-UHFFFAOYSA-N -1 2 386.813 3.007 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(OC(F)F)c(F)c2)c1C(=O)[O-] ZINC000327143155 971370877 /nfs/dbraw/zinc/37/08/77/971370877.db2.gz SPNMFMYAXWXBFQ-UHFFFAOYSA-N -1 2 379.312 3.136 20 0 GGADLM O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)cc1 ZINC000012649048 956904021 /nfs/dbraw/zinc/90/40/21/956904021.db2.gz BDWQBSLUKCJDSM-DHZHZOJOSA-N -1 2 381.413 3.042 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000013031701 956909986 /nfs/dbraw/zinc/90/99/86/956909986.db2.gz PUDMGUIKKGGPMN-UHFFFAOYSA-N -1 2 392.433 3.372 20 0 GGADLM CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C(=O)OC)c1 ZINC000060839543 957572495 /nfs/dbraw/zinc/57/24/95/957572495.db2.gz NMFZALBQKXFTRB-UHFFFAOYSA-N -1 2 397.836 3.188 20 0 GGADLM Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000065223667 957639744 /nfs/dbraw/zinc/63/97/44/957639744.db2.gz KSYQVLUODICQQE-UHFFFAOYSA-N -1 2 391.430 3.138 20 0 GGADLM COc1ccc(-c2cc3[nH]c(CN4CCC[C@@]4(C)C(=O)[O-])nc(=O)c3s2)cc1 ZINC001594071282 958187092 /nfs/dbraw/zinc/18/70/92/958187092.db2.gz PTFGHTXFCUVREX-FQEVSTJZSA-N -1 2 399.472 3.099 20 0 GGADLM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1-c1ccccc1 ZINC000152576008 959039122 /nfs/dbraw/zinc/03/91/22/959039122.db2.gz LLVBAUCITWSXPS-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000152577210 959039591 /nfs/dbraw/zinc/03/95/91/959039591.db2.gz MGSGLJWORRLXBT-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM CC(C)c1cccc(N2CC(=O)C(C(=O)NCc3ccccc3C(=O)[O-])=N2)c1 ZINC001573567344 959293725 /nfs/dbraw/zinc/29/37/25/959293725.db2.gz UNUFYBFWPQOZMN-UHFFFAOYSA-N -1 2 379.416 3.330 20 0 GGADLM C[C@H](Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1)C(=O)[O-] ZINC000184649459 959460714 /nfs/dbraw/zinc/46/07/14/959460714.db2.gz KQOZUCASUQMMBZ-SECBINFHSA-N -1 2 389.260 3.452 20 0 GGADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1)C(=O)[O-] ZINC000184649442 959461544 /nfs/dbraw/zinc/46/15/44/959461544.db2.gz KQOZUCASUQMMBZ-VIFPVBQESA-N -1 2 389.260 3.452 20 0 GGADLM CC(C)c1c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000192154627 959589935 /nfs/dbraw/zinc/58/99/35/959589935.db2.gz MRKXQJKIRANASA-UHFFFAOYSA-N -1 2 399.472 3.424 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c1 ZINC000392294609 972464850 /nfs/dbraw/zinc/46/48/50/972464850.db2.gz YELSGFICUFQHHF-UHFFFAOYSA-N -1 2 379.287 3.223 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2-c2cccc(F)c2)ccc1Cl ZINC001188282384 960552314 /nfs/dbraw/zinc/55/23/14/960552314.db2.gz MPMLFYKHTODBRT-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM CC(C)(C)c1nnc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)o1 ZINC001192401513 960558514 /nfs/dbraw/zinc/55/85/14/960558514.db2.gz PITIPCCNWXWVMR-UHFFFAOYSA-N -1 2 394.236 3.173 20 0 GGADLM Cc1cc(Cl)ncc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213419 960668297 /nfs/dbraw/zinc/66/82/97/960668297.db2.gz SHACEWHGBOQYMQ-UHFFFAOYSA-N -1 2 379.196 3.335 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)c(F)cc1Cl ZINC001259220702 960678995 /nfs/dbraw/zinc/67/89/95/960678995.db2.gz HEEWCUBSILVRIS-UHFFFAOYSA-N -1 2 397.767 3.085 20 0 GGADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001325940650 961064321 /nfs/dbraw/zinc/06/43/21/961064321.db2.gz PHXSXCFLUBKCSY-UHFFFAOYSA-N -1 2 392.355 3.320 20 0 GGADLM CC(C)C[C@H](CNC(=O)c1cc(Cl)cc(Br)c1O)C(=O)[O-] ZINC001588854855 961964297 /nfs/dbraw/zinc/96/42/97/961964297.db2.gz NKPAHUUFFCZDIR-MRVPVSSYSA-N -1 2 378.650 3.285 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)cc1 ZINC001344041262 962170112 /nfs/dbraw/zinc/17/01/12/962170112.db2.gz MKLURNBEETYIGK-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2cn(C)nc2C2CCCCC2)cc1C(=O)[O-] ZINC000294954341 962910017 /nfs/dbraw/zinc/91/00/17/962910017.db2.gz BCXYGHBMLGDIKI-UHFFFAOYSA-N -1 2 377.466 3.275 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c1C(=O)[O-] ZINC000314108706 963712686 /nfs/dbraw/zinc/71/26/86/963712686.db2.gz JUTYDQNXUOTLGH-UHFFFAOYSA-N -1 2 388.239 3.466 20 0 GGADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427135104 974050513 /nfs/dbraw/zinc/05/05/13/974050513.db2.gz ABSSYLSPXQNUEF-UHFFFAOYSA-N -1 2 393.314 3.152 20 0 GGADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427269691 974051972 /nfs/dbraw/zinc/05/19/72/974051972.db2.gz MOFYQKAHYVIQNA-UHFFFAOYSA-N -1 2 393.314 3.152 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C=Cc1ccc(C(=O)[O-])o1 ZINC001603672744 974052577 /nfs/dbraw/zinc/05/25/77/974052577.db2.gz QITLOKWGPMIMHM-GQCTYLIASA-N -1 2 387.417 3.140 20 0 GGADLM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000436016665 974099511 /nfs/dbraw/zinc/09/95/11/974099511.db2.gz SXMQVELJAFHZSZ-UHFFFAOYSA-N -1 2 397.456 3.307 20 0 GGADLM Cc1cnc(-c2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2)o1 ZINC000438757220 974100550 /nfs/dbraw/zinc/10/05/50/974100550.db2.gz RJBFOZPWFFKXIU-UHFFFAOYSA-N -1 2 376.365 3.288 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)c(F)c1 ZINC000438808052 974106738 /nfs/dbraw/zinc/10/67/38/974106738.db2.gz ILEUGHXHXSGNKR-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000467753062 974192010 /nfs/dbraw/zinc/19/20/10/974192010.db2.gz NTBWVYDYRMBVQS-UHFFFAOYSA-N -1 2 391.430 3.028 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)c(F)c1 ZINC000473719675 974201715 /nfs/dbraw/zinc/20/17/15/974201715.db2.gz ZGAPNRZHSPFAAX-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OC(C)C ZINC000484217992 974220781 /nfs/dbraw/zinc/22/07/81/974220781.db2.gz GRXDZABGSMPGSC-UHFFFAOYSA-N -1 2 383.397 3.121 20 0 GGADLM COc1ccc(OC(C)C)c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000485271799 974225465 /nfs/dbraw/zinc/22/54/65/974225465.db2.gz WXRSYNBVMMOZKZ-UHFFFAOYSA-N -1 2 383.397 3.121 20 0 GGADLM CC(C)Oc1c(NS(=O)(=O)Cc2cc(C(C)(C)C)on2)cccc1C(=O)[O-] ZINC000507940720 974279971 /nfs/dbraw/zinc/27/99/71/974279971.db2.gz VCXUFXBUXXTXFO-UHFFFAOYSA-N -1 2 396.465 3.399 20 0 GGADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000516888692 974311143 /nfs/dbraw/zinc/31/11/43/974311143.db2.gz DKFSOSQQADNOJE-UHFFFAOYSA-N -1 2 395.456 3.363 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000535506348 974379658 /nfs/dbraw/zinc/37/96/58/974379658.db2.gz CAOAHVHSSOTXDU-UHFFFAOYSA-N -1 2 387.408 3.284 20 0 GGADLM O=C([O-])c1ccc(Cl)cc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000547545939 974434876 /nfs/dbraw/zinc/43/48/76/974434876.db2.gz XFPKMGXTORIWDJ-UHFFFAOYSA-N -1 2 391.836 3.084 20 0 GGADLM CCc1c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1C(CC)CC ZINC000572774657 974754233 /nfs/dbraw/zinc/75/42/33/974754233.db2.gz VHBBIYNHUPSVAE-UHFFFAOYSA-N -1 2 379.482 3.235 20 0 GGADLM CCn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C(F)(F)F ZINC000685001735 976091991 /nfs/dbraw/zinc/09/19/91/976091991.db2.gz IDEODQLFXCKSDS-UHFFFAOYSA-N -1 2 391.371 3.038 20 0 GGADLM CC(C)c1sc(NS(=O)(=O)c2ccccc2OC(F)F)nc1C(=O)[O-] ZINC001592116658 976916592 /nfs/dbraw/zinc/91/65/92/976916592.db2.gz FMKGEULGDMWBDJ-UHFFFAOYSA-N -1 2 392.405 3.367 20 0 GGADLM CN(C)C(=O)Sc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000737353198 978398748 /nfs/dbraw/zinc/39/87/48/978398748.db2.gz ZKJOHTQVMPDEPC-UHFFFAOYSA-N -1 2 386.476 3.021 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)c2cccnc12 ZINC000738107701 978478586 /nfs/dbraw/zinc/47/85/86/978478586.db2.gz PENCLDQGOPJGPU-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000738239890 978506109 /nfs/dbraw/zinc/50/61/09/978506109.db2.gz KWXORUQRGPHKLV-UHFFFAOYSA-N -1 2 395.380 3.497 20 0 GGADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)c1 ZINC000749141587 978688413 /nfs/dbraw/zinc/68/84/13/978688413.db2.gz GMVKCLTXIVCVKL-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1OC(C)C ZINC000760524932 978706074 /nfs/dbraw/zinc/70/60/74/978706074.db2.gz LWAIARLIBMUBIN-UHFFFAOYSA-N -1 2 383.397 3.121 20 0 GGADLM Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)no1 ZINC000768498636 978738327 /nfs/dbraw/zinc/73/83/27/978738327.db2.gz UFIJGKBAVKOGCX-UHFFFAOYSA-N -1 2 393.808 3.197 20 0 GGADLM COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1O ZINC000778567718 978782516 /nfs/dbraw/zinc/78/25/16/978782516.db2.gz JILZLAKUJICREV-UHFFFAOYSA-N -1 2 392.216 3.207 20 0 GGADLM CC(=O)c1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000783874746 978794704 /nfs/dbraw/zinc/79/47/04/978794704.db2.gz XTIRPHHMGFLTGB-UHFFFAOYSA-N -1 2 389.763 3.320 20 0 GGADLM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000793405155 978807488 /nfs/dbraw/zinc/80/74/88/978807488.db2.gz NBKOPWPYJFKCOE-UHFFFAOYSA-N -1 2 381.410 3.085 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)nn1[C@@H](C)C1CC1 ZINC000793407965 978808094 /nfs/dbraw/zinc/80/80/94/978808094.db2.gz ISMGHZGQJILASQ-NSHDSACASA-N -1 2 381.429 3.109 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)nn1-c1ccccc1 ZINC000793417632 978809641 /nfs/dbraw/zinc/80/96/41/978809641.db2.gz YLPNMRDJUJSLEO-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM CC1(C)CC(=O)c2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc2O1 ZINC000795364369 978832248 /nfs/dbraw/zinc/83/22/48/978832248.db2.gz SYUHYRWECHQFBP-UHFFFAOYSA-N -1 2 393.392 3.069 20 0 GGADLM Cc1nc(Cl)ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000808111895 978851635 /nfs/dbraw/zinc/85/16/35/978851635.db2.gz UPODZRWIIMEBFP-UHFFFAOYSA-N -1 2 384.841 3.330 20 0 GGADLM CCC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000812272780 978868868 /nfs/dbraw/zinc/86/88/68/978868868.db2.gz MXZQIYZWZGMOML-UHFFFAOYSA-N -1 2 383.809 3.137 20 0 GGADLM CCC(CC)c1nnc(NS(=O)(=O)c2cc(COC)cc(C(=O)[O-])c2)s1 ZINC001595122253 979503452 /nfs/dbraw/zinc/50/34/52/979503452.db2.gz YOWOZVCMCYNOMM-UHFFFAOYSA-N -1 2 399.494 3.087 20 0 GGADLM C[C@H](Cc1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)o1)CC(C)(C)C ZINC001592913000 979884156 /nfs/dbraw/zinc/88/41/56/979884156.db2.gz RIWRXRUYLOHNOW-SNVBAGLBSA-N -1 2 399.444 3.323 20 0 GGADLM CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000885416570 980211555 /nfs/dbraw/zinc/21/15/55/980211555.db2.gz HTUPHHNYXLRYLM-UHFFFAOYSA-N -1 2 394.424 3.309 20 0 GGADLM CC[C@]1(C)Oc2ccc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])cc2O1 ZINC001595372261 980860004 /nfs/dbraw/zinc/86/00/04/980860004.db2.gz BZCIRORGUJTNMY-QGZVFWFLSA-N -1 2 381.406 3.293 20 0 GGADLM CCC[C@H]1CCc2nc(NS(=O)(=O)c3cccc(CC(=O)[O-])c3)sc2C1 ZINC001595623663 981723520 /nfs/dbraw/zinc/72/35/20/981723520.db2.gz XEQYOZWKAGPSCI-LBPRGKRZSA-N -1 2 394.518 3.476 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595891163 982923880 /nfs/dbraw/zinc/92/38/80/982923880.db2.gz NCNPGYAVIPUIQR-UHFFFAOYSA-N -1 2 385.445 3.076 20 0 GGADLM CC(C)Oc1c(NS(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cccc1C(=O)[O-] ZINC001117647716 982936950 /nfs/dbraw/zinc/93/69/50/982936950.db2.gz RTGLYGQFLBOVBQ-UHFFFAOYSA-N -1 2 392.355 3.320 20 0 GGADLM CC[C@@H](C)c1ccc(S(=O)(=O)Nc2c(C)nn(CCC(=O)[O-])c2C)cc1 ZINC001595014418 982952008 /nfs/dbraw/zinc/95/20/08/982952008.db2.gz RPPXVCBLCODESB-GFCCVEGCSA-N -1 2 379.482 3.289 20 0 GGADLM CCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1OC ZINC001595966331 983172718 /nfs/dbraw/zinc/17/27/18/983172718.db2.gz HQFKOWWOVSFKMV-UHFFFAOYSA-N -1 2 383.397 3.122 20 0 GGADLM CCCn1ncc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1C1CC1 ZINC001596120491 983454494 /nfs/dbraw/zinc/45/44/94/983454494.db2.gz NIQZLDAACAIAMD-UHFFFAOYSA-N -1 2 383.857 3.323 20 0 GGADLM CCCn1ncc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1C1CC1 ZINC001596120469 983454544 /nfs/dbraw/zinc/45/45/44/983454544.db2.gz MZPLGSWWVJESTO-UHFFFAOYSA-N -1 2 383.857 3.323 20 0 GGADLM CC[N@H+](Cc1oncc1C(=O)[O-])C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001596380726 983903931 /nfs/dbraw/zinc/90/39/31/983903931.db2.gz WPHKWPDWCUOOEJ-UHFFFAOYSA-N -1 2 387.484 3.086 20 0 GGADLM C[C@H](OC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)c1ccc(C(=O)[O-])cc1 ZINC001599904221 984902306 /nfs/dbraw/zinc/90/23/06/984902306.db2.gz OSDRAUIWCDRQDD-VIFPVBQESA-N -1 2 385.294 3.074 20 0 GGADLM CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2scc(C(=O)[O-])c2C)c1 ZINC001596721680 984968474 /nfs/dbraw/zinc/96/84/74/984968474.db2.gz YBUVZPWTCMFWFM-UHFFFAOYSA-N -1 2 383.447 3.041 20 0 GGADLM CC(=C(O)c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC001599948757 985573274 /nfs/dbraw/zinc/57/32/74/985573274.db2.gz RVOBXFCMEONLSV-BXUZGUMPSA-N -1 2 377.462 3.119 20 0 GGADLM CCOc1c(Cl)cc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1Cl ZINC001596992239 986275352 /nfs/dbraw/zinc/27/53/52/986275352.db2.gz FKLMTCUEVHWQJS-UHFFFAOYSA-N -1 2 397.261 3.348 20 0 GGADLM CCOc1ccc(OCC)c(NS(=O)(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001597132801 986858817 /nfs/dbraw/zinc/85/88/17/986858817.db2.gz QZUYPCSZMIQGBX-INIZCTEOSA-N -1 2 393.461 3.094 20 0 GGADLM CCOc1ccc(OCC)c(NS(=O)(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001597132802 986858991 /nfs/dbraw/zinc/85/89/91/986858991.db2.gz QZUYPCSZMIQGBX-MRXNPFEDSA-N -1 2 393.461 3.094 20 0 GGADLM C[C@H](C(=O)[O-])[C@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1ccccc1 ZINC001589468936 986934995 /nfs/dbraw/zinc/93/49/95/986934995.db2.gz HWGDESAXTZMLJL-SJCJKPOMSA-N -1 2 399.834 3.423 20 0 GGADLM CCOc1ccccc1-c1cc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)[nH]n1 ZINC001597168024 986994353 /nfs/dbraw/zinc/99/43/53/986994353.db2.gz URIYGXTUPBZDLK-OAHLLOKOSA-N -1 2 377.400 3.304 20 0 GGADLM CC(C)(C(=O)[O-])c1csc(NC(=O)c2cccc(Br)c2O)n1 ZINC001589657078 987627732 /nfs/dbraw/zinc/62/77/32/987627732.db2.gz NACAJVJZNMNCHB-UHFFFAOYSA-N -1 2 385.239 3.226 20 0 GGADLM CCc1ccc2nc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)sc2c1 ZINC001597570579 988346019 /nfs/dbraw/zinc/34/60/19/988346019.db2.gz QKKCTVJZQWMPQH-UHFFFAOYSA-N -1 2 376.459 3.287 20 0 GGADLM CCc1ccccc1N1CC(=O)C(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)=N1 ZINC001597604874 988484262 /nfs/dbraw/zinc/48/42/62/988484262.db2.gz WPGLHUSTAOOZHA-UHFFFAOYSA-N -1 2 391.427 3.037 20 0 GGADLM CCc1nc(NS(=O)(=O)c2ccc3nc(C)sc3c2)sc1C(=O)[O-] ZINC001597685189 988829904 /nfs/dbraw/zinc/82/99/04/988829904.db2.gz FPDGQQXTDMJDSC-UHFFFAOYSA-N -1 2 383.476 3.123 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1C(F)(F)F ZINC001597786195 989308926 /nfs/dbraw/zinc/30/89/26/989308926.db2.gz YYNVRNUFBASDLU-UHFFFAOYSA-N -1 2 381.303 3.499 20 0 GGADLM CC(C)(C)c1nc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)sc1C(=O)[O-] ZINC001590545549 990182671 /nfs/dbraw/zinc/18/26/71/990182671.db2.gz JMROAXZQEFRDEG-UHFFFAOYSA-N -1 2 394.396 3.357 20 0 GGADLM CC(C)CCc1nnc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])o1 ZINC001591270506 992189992 /nfs/dbraw/zinc/18/99/92/992189992.db2.gz UEPWSGIJVGSZKD-UHFFFAOYSA-N -1 2 395.462 3.372 20 0 GGADLM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1cc(Cl)cc(Br)c1O ZINC001598517109 992630253 /nfs/dbraw/zinc/63/02/53/992630253.db2.gz VQCVTIBLEPKVQY-UHFFFAOYSA-N -1 2 399.628 3.174 20 0 GGADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001598537707 992860082 /nfs/dbraw/zinc/86/00/82/992860082.db2.gz KJRKASATRBCUFZ-UHFFFAOYSA-N -1 2 386.433 3.078 20 0 GGADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001598538032 992863427 /nfs/dbraw/zinc/86/34/27/992863427.db2.gz YLERBPABBIYVCI-UHFFFAOYSA-N -1 2 392.824 3.412 20 0 GGADLM CN(Cc1nc(=O)c2sccc2[nH]1)c1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001598538216 992866782 /nfs/dbraw/zinc/86/67/82/992866782.db2.gz IQTMNLNFYZRASN-UHFFFAOYSA-N -1 2 384.339 3.145 20 0 GGADLM COc1ccc(OC)c(S(=O)(=O)Nc2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001599607328 993903777 /nfs/dbraw/zinc/90/37/77/993903777.db2.gz ZELVBIIXFGQIEW-UHFFFAOYSA-N -1 2 387.413 3.356 20 0 GGADLM COCc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c1 ZINC001599281065 996897109 /nfs/dbraw/zinc/89/71/09/996897109.db2.gz PFXKDNIHSWHZFZ-UHFFFAOYSA-N -1 2 391.232 3.034 20 0 GGADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc2c(cccc2C)s1 ZINC001599383926 996910132 /nfs/dbraw/zinc/91/01/32/996910132.db2.gz MUMSTYFJAXBKBD-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM COC(=O)Nc1ccc(S(=O)(=O)Nc2scc(C(=O)[O-])c2C)cc1C ZINC001598887751 996931257 /nfs/dbraw/zinc/93/12/57/996931257.db2.gz MUZIQBNEGVBKJD-UHFFFAOYSA-N -1 2 384.435 3.042 20 0 GGADLM COCc1ccccc1S(=O)(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599296932 997160625 /nfs/dbraw/zinc/16/06/25/997160625.db2.gz YRAXEPACTAMHDK-UHFFFAOYSA-N -1 2 396.490 3.446 20 0 GGADLM COC(=O)c1c(C)cccc1S(=O)(=O)Nc1c(C(=O)[O-])ccc2ccccc21 ZINC001598911339 997377069 /nfs/dbraw/zinc/37/70/69/997377069.db2.gz UCVLKOBTEXZAKB-UHFFFAOYSA-N -1 2 399.424 3.434 20 0 GGADLM COc1cc(F)c(S(=O)(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c(F)c1 ZINC001599423752 997638100 /nfs/dbraw/zinc/63/81/00/997638100.db2.gz COMHCCJWNOULFN-UHFFFAOYSA-N -1 2 392.405 3.052 20 0 GGADLM COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(C(=O)[O-])c(C(C)C)s1 ZINC001599331603 997758327 /nfs/dbraw/zinc/75/83/27/997758327.db2.gz MGCWSKOFPKZAJW-UHFFFAOYSA-N -1 2 384.479 3.391 20 0 GGADLM COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001599331879 997761900 /nfs/dbraw/zinc/76/19/00/997761900.db2.gz VYBXSDMORRDXCQ-UHFFFAOYSA-N -1 2 382.463 3.145 20 0 GGADLM CO[C@H]1CCOc2c(NS(=O)(=O)c3c(C)csc3C(=O)[O-])cccc21 ZINC001599127135 997871866 /nfs/dbraw/zinc/87/18/66/997871866.db2.gz FTQUHOAPDIWKKA-LBPRGKRZSA-N -1 2 383.447 3.026 20 0 GGADLM COc1cc(S(=O)(=O)Nc2cc(C3CCCCCC3)n[nH]2)ccc1C(=O)[O-] ZINC001599459391 998244997 /nfs/dbraw/zinc/24/49/97/998244997.db2.gz KRKKAISJDQJPNN-UHFFFAOYSA-N -1 2 393.465 3.355 20 0 GGADLM COc1cc(S(=O)(=O)Nc2nc3ccc(C)cc3s2)ccc1C(=O)[O-] ZINC001599461163 998275677 /nfs/dbraw/zinc/27/56/77/998275677.db2.gz LFKNJRDAYALNMK-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1csc2ccccc12 ZINC001598967350 998446475 /nfs/dbraw/zinc/44/64/75/998446475.db2.gz BNHUAHOCERIOSG-UHFFFAOYSA-N -1 2 391.426 3.187 20 0 GGADLM O=C([O-])c1ccn(-c2ccccc2NS(=O)(=O)c2ccccc2Cl)n1 ZINC000097591221 211366699 /nfs/dbraw/zinc/36/66/99/211366699.db2.gz PEQVIYRIBIAIFI-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000084017072 211166172 /nfs/dbraw/zinc/16/61/72/211166172.db2.gz YJGPMGUBSLYZTF-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000014097351 564279395 /nfs/dbraw/zinc/27/93/95/564279395.db2.gz OJNNRQURBGJJTP-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)c(Br)s1 ZINC000032589277 564402307 /nfs/dbraw/zinc/40/23/07/564402307.db2.gz XAWXKLUWDZRDNE-UHFFFAOYSA-N -1 2 398.206 3.288 20 0 GGADLM COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)c1 ZINC000032585487 564402475 /nfs/dbraw/zinc/40/24/75/564402475.db2.gz YDQSTXKVJUNGNS-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(Br)s2)ccc1C(=O)[O-] ZINC000044750136 564472733 /nfs/dbraw/zinc/47/27/33/564472733.db2.gz GJSMGGFJEMMCFM-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000045946760 564491118 /nfs/dbraw/zinc/49/11/18/564491118.db2.gz FMBBEEWUNTYXOX-UHFFFAOYSA-N -1 2 395.380 3.497 20 0 GGADLM COc1cc(C(=O)[O-])c(NS(=O)(=O)c2ccc(C)s2)cc1OC(F)F ZINC000047250968 564516252 /nfs/dbraw/zinc/51/62/52/564516252.db2.gz LOCQFEJYJSPYND-UHFFFAOYSA-N -1 2 393.389 3.166 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1sccc1Br ZINC000048440763 564539046 /nfs/dbraw/zinc/53/90/46/564539046.db2.gz WIVFILXSVOLUEW-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2cc(F)ccc2F)cc(C(F)(F)F)c1 ZINC000052471767 564572597 /nfs/dbraw/zinc/57/25/97/564572597.db2.gz WFMROKDGGFOWQE-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055577619 564624320 /nfs/dbraw/zinc/62/43/20/564624320.db2.gz ZABSCMDHTZDTDQ-UHFFFAOYSA-N -1 2 382.419 3.124 20 0 GGADLM CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000055638612 564627589 /nfs/dbraw/zinc/62/75/89/564627589.db2.gz SHMJKUBNHCSBCM-UHFFFAOYSA-N -1 2 382.463 3.294 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3Cl)n2)cc1 ZINC000130399302 564679852 /nfs/dbraw/zinc/67/98/52/564679852.db2.gz PZNGKWIYRQPRSB-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM COC(=O)c1cc(C(C)C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000060839400 564702179 /nfs/dbraw/zinc/70/21/79/564702179.db2.gz NYEJQDYMTUIKCA-UHFFFAOYSA-N -1 2 383.447 3.157 20 0 GGADLM Cc1cc(N2CCSCC2)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000065080094 564738700 /nfs/dbraw/zinc/73/87/00/564738700.db2.gz QBCGFIFHLYGSSV-UHFFFAOYSA-N -1 2 398.531 3.109 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)c1 ZINC000084339085 564868758 /nfs/dbraw/zinc/86/87/58/564868758.db2.gz MKXUPLBDEJNWJF-UHFFFAOYSA-N -1 2 383.838 3.086 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl ZINC000146187479 564880929 /nfs/dbraw/zinc/88/09/29/564880929.db2.gz FPVNYIKABQAHNF-UHFFFAOYSA-N -1 2 391.188 3.401 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)sc1Br ZINC000148730027 564885000 /nfs/dbraw/zinc/88/50/00/564885000.db2.gz ZHBKLAKNILFDTL-UHFFFAOYSA-N -1 2 392.252 3.024 20 0 GGADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Br ZINC000096487744 564902183 /nfs/dbraw/zinc/90/21/83/564902183.db2.gz FCQAVEKHYBHWPT-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1C(=O)[O-] ZINC000110988531 565049104 /nfs/dbraw/zinc/04/91/04/565049104.db2.gz VVXUGAGZYGHZOU-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM CCn1nc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1C1CC1 ZINC000267430607 565116453 /nfs/dbraw/zinc/11/64/53/565116453.db2.gz MOWMVUCWFTUCAG-UHFFFAOYSA-N -1 2 387.820 3.072 20 0 GGADLM CCOc1cc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc(Cl)c1O ZINC000297334834 565368531 /nfs/dbraw/zinc/36/85/31/565368531.db2.gz DCVRBQOKSPYXLQ-INIZCTEOSA-N -1 2 383.897 3.320 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C)sc1C(=O)[O-] ZINC000190378055 565526357 /nfs/dbraw/zinc/52/63/57/565526357.db2.gz YDXLEBGPGYKCQL-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM Cc1cc(F)c(Br)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000190383993 565527900 /nfs/dbraw/zinc/52/79/00/565527900.db2.gz MGXWYVUVBUVEIE-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM Cc1cscc1NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000387088462 565549028 /nfs/dbraw/zinc/54/90/28/565549028.db2.gz GLMWCZWBCCKIEC-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM COc1ccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(Br)c1O ZINC000278361200 565553209 /nfs/dbraw/zinc/55/32/09/565553209.db2.gz JPZBXEROGSMIRE-HZMBPMFUSA-N -1 2 398.219 3.299 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)c1 ZINC000190840152 565562910 /nfs/dbraw/zinc/56/29/10/565562910.db2.gz JMJPLTAAWBHHIN-UHFFFAOYSA-N -1 2 383.838 3.086 20 0 GGADLM CCn1cc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1C(=O)[O-] ZINC000326600773 565625126 /nfs/dbraw/zinc/62/51/26/565625126.db2.gz IOOZZCKKJSDYTJ-UHFFFAOYSA-N -1 2 379.825 3.209 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCC(F)(F)F ZINC000327378382 565629574 /nfs/dbraw/zinc/62/95/74/565629574.db2.gz BDWOKUQBYULUSW-UHFFFAOYSA-N -1 2 379.312 3.028 20 0 GGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cccc(Br)c1F ZINC000410375945 565681086 /nfs/dbraw/zinc/68/10/86/565681086.db2.gz QOWFSKPZEVJMCA-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM O=C(CC[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1)Nc1c(Cl)cccc1Cl ZINC000411680814 565744707 /nfs/dbraw/zinc/74/47/07/565744707.db2.gz YBDAHZPQBYBJKB-SNVBAGLBSA-N -1 2 385.251 3.290 20 0 GGADLM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(Cl)cc(Br)c1O ZINC000176472174 565775382 /nfs/dbraw/zinc/77/53/82/565775382.db2.gz MIJXYWHZXSDISL-SECBINFHSA-N -1 2 384.679 3.119 20 0 GGADLM O=S(=O)(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000180144680 566036446 /nfs/dbraw/zinc/03/64/46/566036446.db2.gz GOIBECOWJKIYIP-UHFFFAOYSA-N -1 2 377.809 3.055 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180657276 566079283 /nfs/dbraw/zinc/07/92/83/566079283.db2.gz BQWDSYIZUVQIFE-UHFFFAOYSA-N -1 2 396.165 3.128 20 0 GGADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000181684256 566158702 /nfs/dbraw/zinc/15/87/02/566158702.db2.gz LRIRZTIIJZRUGN-UHFFFAOYSA-N -1 2 385.873 3.308 20 0 GGADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000535136724 566279597 /nfs/dbraw/zinc/27/95/97/566279597.db2.gz DKWZCJPHIACAAA-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)c1 ZINC000483167178 566362949 /nfs/dbraw/zinc/36/29/49/566362949.db2.gz NRVOLYBUHHGEHW-UHFFFAOYSA-N -1 2 376.415 3.434 20 0 GGADLM CCn1nc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cc1C1CC1 ZINC000536523319 566381630 /nfs/dbraw/zinc/38/16/30/566381630.db2.gz GNQPSCWUEWPDON-UHFFFAOYSA-N -1 2 383.857 3.241 20 0 GGADLM CO[C@H]1CCOc2c(NS(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cccc21 ZINC000447777197 566427753 /nfs/dbraw/zinc/42/77/53/566427753.db2.gz FEFJGJXNDFAVFO-LBPRGKRZSA-N -1 2 383.447 3.026 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cncc(Cl)c2)c(SCCC(=O)[O-])c1 ZINC000484503793 566432719 /nfs/dbraw/zinc/43/27/19/566432719.db2.gz MXBLKEYWRCIITD-UHFFFAOYSA-N -1 2 386.882 3.411 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)c(SCCC(=O)[O-])c1 ZINC000484506916 566432805 /nfs/dbraw/zinc/43/28/05/566432805.db2.gz SKLOJBXFANGXPB-UHFFFAOYSA-N -1 2 383.495 3.140 20 0 GGADLM COc1cc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1OC(C)C ZINC000463791394 566434589 /nfs/dbraw/zinc/43/45/89/566434589.db2.gz YDAQLSOZTCMHGK-UHFFFAOYSA-N -1 2 385.463 3.351 20 0 GGADLM O=C([O-])c1cccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000485359076 566491184 /nfs/dbraw/zinc/49/11/84/566491184.db2.gz YUQDZBOQFDQYJG-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM Cc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)nn1-c1ccc(C)cc1 ZINC000538298336 566505150 /nfs/dbraw/zinc/50/51/50/566505150.db2.gz HAGRTICDHVMSLA-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM Cc1ccsc1S(=O)(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000512776908 566556100 /nfs/dbraw/zinc/55/61/00/566556100.db2.gz WCNPIHWCYUQAHK-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM CCCc1nc(C)c(NS(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)s1 ZINC000486124887 566560564 /nfs/dbraw/zinc/56/05/64/566560564.db2.gz FYALQSDNHWPYAW-UHFFFAOYSA-N -1 2 384.479 3.302 20 0 GGADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cccc(C)c1Cl ZINC000539398801 566579061 /nfs/dbraw/zinc/57/90/61/566579061.db2.gz CTVPZZWGOVFRAW-UHFFFAOYSA-N -1 2 383.853 3.475 20 0 GGADLM COc1cc(S(=O)(=O)Nc2ccc(Cl)cc2O)c(Cl)cc1C(=O)[O-] ZINC000513819075 566627197 /nfs/dbraw/zinc/62/71/97/566627197.db2.gz PMHQNUIJNBRIPV-UHFFFAOYSA-N -1 2 392.216 3.207 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)F)c1 ZINC000540215796 566637857 /nfs/dbraw/zinc/63/78/57/566637857.db2.gz SPXKEDJOIDDPLW-UHFFFAOYSA-N -1 2 381.353 3.030 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c(Cl)c1Cl ZINC000467759715 566662559 /nfs/dbraw/zinc/66/25/59/566662559.db2.gz OXKFFNKJWWGMHQ-UHFFFAOYSA-N -1 2 392.216 3.207 20 0 GGADLM CCc1noc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000677234927 566732692 /nfs/dbraw/zinc/73/26/92/566732692.db2.gz UHICAHYWDJBIFE-UHFFFAOYSA-N -1 2 378.328 3.063 20 0 GGADLM C[C@@H](CNS(=O)(=O)c1cc(F)ccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000488669120 566739904 /nfs/dbraw/zinc/73/99/04/566739904.db2.gz NWPLGOYVLHJYIY-NSHDSACASA-N -1 2 388.917 3.266 20 0 GGADLM O=C([O-])c1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427132041 566749890 /nfs/dbraw/zinc/74/98/90/566749890.db2.gz YFPOZZRTYFAUGH-UHFFFAOYSA-N -1 2 379.287 3.223 20 0 GGADLM CCn1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)cc1C(=O)[O-] ZINC000541806952 566750736 /nfs/dbraw/zinc/75/07/36/566750736.db2.gz ZMKQNIXVFWRKDG-UHFFFAOYSA-N -1 2 379.221 3.019 20 0 GGADLM CC(=O)c1ccsc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000427301798 566763743 /nfs/dbraw/zinc/76/37/43/566763743.db2.gz LKAHILCJSBDPPJ-UHFFFAOYSA-N -1 2 379.459 3.329 20 0 GGADLM CCCn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C1CC1 ZINC000562541064 566799569 /nfs/dbraw/zinc/79/95/69/566799569.db2.gz FYUKWCBWTPEKAP-UHFFFAOYSA-N -1 2 383.857 3.323 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)sc1C ZINC000678612366 566807515 /nfs/dbraw/zinc/80/75/15/566807515.db2.gz JQXFRPSAOYMJKK-UHFFFAOYSA-N -1 2 383.447 3.025 20 0 GGADLM O=C([O-])c1ccc(CNC(=O)c2cc(Br)cs2)nc1C1CC1 ZINC000581886977 566811622 /nfs/dbraw/zinc/81/16/22/566811622.db2.gz ZARAIDNONRPMGS-UHFFFAOYSA-N -1 2 381.251 3.411 20 0 GGADLM Cc1cc(Br)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])s1 ZINC000542740265 566822703 /nfs/dbraw/zinc/82/27/03/566822703.db2.gz SEQIYBGUUKLZDY-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cn1ccnc1Sc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000517925054 566855055 /nfs/dbraw/zinc/85/50/55/566855055.db2.gz OUHMHPPCSXVIHJ-UHFFFAOYSA-N -1 2 395.487 3.132 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)c(F)c1 ZINC000470438673 566871649 /nfs/dbraw/zinc/87/16/49/566871649.db2.gz PPRYHMVPIMXELA-UHFFFAOYSA-N -1 2 379.287 3.065 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000519217397 566927028 /nfs/dbraw/zinc/92/70/28/566927028.db2.gz FGJKWDSJBBJLPY-UHFFFAOYSA-N -1 2 388.373 3.029 20 0 GGADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1SC ZINC000471958659 566990484 /nfs/dbraw/zinc/99/04/84/566990484.db2.gz YVZPJDWJAYKAJX-UHFFFAOYSA-N -1 2 381.475 3.153 20 0 GGADLM O=C([O-])c1ccc(OC(F)(F)F)c(NS(=O)(=O)c2cccc(F)c2)c1 ZINC000471993722 566994050 /nfs/dbraw/zinc/99/40/50/566994050.db2.gz WOXDHNQJZGFSLG-UHFFFAOYSA-N -1 2 379.287 3.223 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1O ZINC000564720482 567002695 /nfs/dbraw/zinc/00/26/95/567002695.db2.gz SASIUOVTDPUSJT-UHFFFAOYSA-N -1 2 392.252 3.024 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000584402778 567040395 /nfs/dbraw/zinc/04/03/95/567040395.db2.gz TYKPHIHVVQYHST-UHFFFAOYSA-N -1 2 383.495 3.285 20 0 GGADLM COc1ccc(C[NH2+]Cc2c(OC)cccc2OC)c(Br)c1O ZINC000657587504 567072947 /nfs/dbraw/zinc/07/29/47/567072947.db2.gz WPTZFSRFGADYCE-UHFFFAOYSA-N -1 2 382.254 3.470 20 0 GGADLM COc1cc2nc(C)sc2cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000588635469 567129717 /nfs/dbraw/zinc/12/97/17/567129717.db2.gz ZQLWIJAXNMHUTE-UHFFFAOYSA-N -1 2 384.460 3.174 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccccc2OCc2cscn2)c1 ZINC000588621992 567130182 /nfs/dbraw/zinc/13/01/82/567130182.db2.gz CPQMNHQDVOCLRX-UHFFFAOYSA-N -1 2 396.471 3.283 20 0 GGADLM O=C([O-])C1CCC(NC(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000566223604 567139325 /nfs/dbraw/zinc/13/93/25/567139325.db2.gz GUARPTYJKWHDNT-UHFFFAOYSA-N -1 2 376.634 3.181 20 0 GGADLM COc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c2ncccc12 ZINC000546729266 567151298 /nfs/dbraw/zinc/15/12/98/567151298.db2.gz TZXRZQTUZRIOQT-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(Br)s1 ZINC000547873771 567253424 /nfs/dbraw/zinc/25/34/24/567253424.db2.gz XTVIOFSOIKYOHP-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM C[N@@H+](CC1=Nc2ccccc2S(=O)(=O)N1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685054488 567255627 /nfs/dbraw/zinc/25/56/27/567255627.db2.gz WRVHEOAJTKLCJJ-TXEJJXNPSA-N -1 2 375.416 3.061 20 0 GGADLM CC(C)Oc1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433518262 567257141 /nfs/dbraw/zinc/25/71/41/567257141.db2.gz TZDJJSXMLFGFSW-UHFFFAOYSA-N -1 2 385.825 3.332 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1C(F)(F)F ZINC000433526872 567257540 /nfs/dbraw/zinc/25/75/40/567257540.db2.gz CNRBEKYXCAJRRB-UHFFFAOYSA-N -1 2 375.324 3.218 20 0 GGADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(CC(C)C)nc1 ZINC000475839104 567282060 /nfs/dbraw/zinc/28/20/60/567282060.db2.gz YMBOCJFFDGAKCZ-UHFFFAOYSA-N -1 2 383.857 3.136 20 0 GGADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnc(CC(C)C)nc1 ZINC000475839933 567282175 /nfs/dbraw/zinc/28/21/75/567282175.db2.gz SMSCFEAPZXTZOR-UHFFFAOYSA-N -1 2 383.857 3.136 20 0 GGADLM O=C([O-])C1CCC(NC(=O)c2cc(Br)cc(Cl)c2O)CC1 ZINC000567862466 567284616 /nfs/dbraw/zinc/28/46/16/567284616.db2.gz DMHPIBKLHLWCDR-UHFFFAOYSA-N -1 2 376.634 3.181 20 0 GGADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000548267594 567302141 /nfs/dbraw/zinc/30/21/41/567302141.db2.gz MZKPYZHMERXNQU-QUBYGPBYSA-N -1 2 394.198 3.379 20 0 GGADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000548267595 567303004 /nfs/dbraw/zinc/30/30/04/567303004.db2.gz MZKPYZHMERXNQU-WKEGUHRASA-N -1 2 394.198 3.379 20 0 GGADLM Cc1ccsc1S(=O)(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000548525281 567321030 /nfs/dbraw/zinc/32/10/30/567321030.db2.gz FADZFDSDUSQLDW-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000548525447 567321965 /nfs/dbraw/zinc/32/19/65/567321965.db2.gz IFOANUCHZHZNSC-UHFFFAOYSA-N -1 2 377.365 3.325 20 0 GGADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000476404130 567321914 /nfs/dbraw/zinc/32/19/14/567321914.db2.gz XHDCQFGZQSCJKO-UHFFFAOYSA-N -1 2 383.857 3.235 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000548526597 567322588 /nfs/dbraw/zinc/32/25/88/567322588.db2.gz KDIKMYPAUOHGJL-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM CCc1ncc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000548540076 567324731 /nfs/dbraw/zinc/32/47/31/567324731.db2.gz VQSZLJKEPSDTQM-UHFFFAOYSA-N -1 2 380.369 3.223 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(Br)ccc2F)ccc1C(=O)[O-] ZINC000476737882 567346917 /nfs/dbraw/zinc/34/69/17/567346917.db2.gz KIHWPMROJIFGEG-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1cc(Br)c(O)c(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000477319584 567388600 /nfs/dbraw/zinc/38/86/00/567388600.db2.gz PDMXLEFGXNSONS-UHFFFAOYSA-N -1 2 392.252 3.024 20 0 GGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000436476653 567426523 /nfs/dbraw/zinc/42/65/23/567426523.db2.gz JYRACFCSKOTGCO-UHFFFAOYSA-N -1 2 379.287 3.049 20 0 GGADLM O=C([O-])C[C@H]1CCCN(C(=O)c2cc(Br)cc(Cl)c2O)C1 ZINC000570211198 567466051 /nfs/dbraw/zinc/46/60/51/567466051.db2.gz AXMPTGOBOWYFFN-MRVPVSSYSA-N -1 2 376.634 3.135 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1O ZINC000436948392 567467969 /nfs/dbraw/zinc/46/79/69/567467969.db2.gz JJKZIVFUFYEVMI-UHFFFAOYSA-N -1 2 379.287 3.049 20 0 GGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)c1 ZINC000436995485 567473644 /nfs/dbraw/zinc/47/36/44/567473644.db2.gz DJPUTOSBHWQUFR-UHFFFAOYSA-N -1 2 393.751 3.146 20 0 GGADLM O=C(N=c1nc(-c2ccsc2)[nH]s1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529057905 567481938 /nfs/dbraw/zinc/48/19/38/567481938.db2.gz HJBJVUAJSLVYHR-AWEZNQCLSA-N -1 2 377.539 3.217 20 0 GGADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccn(CCC(C)C)n1 ZINC000479349465 567526534 /nfs/dbraw/zinc/52/65/34/567526534.db2.gz WIGJHAYILKWAML-UHFFFAOYSA-N -1 2 385.873 3.390 20 0 GGADLM CCCCn1ncc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1C ZINC000479437545 567534588 /nfs/dbraw/zinc/53/45/88/567534588.db2.gz KWZBTVBMXRVDJO-UHFFFAOYSA-N -1 2 385.873 3.452 20 0 GGADLM C[C@@H](Sc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1)C(=O)[O-] ZINC000504658225 567542672 /nfs/dbraw/zinc/54/26/72/567542672.db2.gz QFUWBIWVYOWHKV-MRVPVSSYSA-N -1 2 391.392 3.470 20 0 GGADLM C[C@H](Sc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)cc1)C(=O)[O-] ZINC000504673764 567544170 /nfs/dbraw/zinc/54/41/70/567544170.db2.gz QZBXNXDPHUITAB-QMMMGPOBSA-N -1 2 391.392 3.470 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(-c3nncs3)cc2)sc1C(=O)[O-] ZINC000439243713 567575121 /nfs/dbraw/zinc/57/51/21/567575121.db2.gz FOOWPQBEWDVIOU-UHFFFAOYSA-N -1 2 381.460 3.074 20 0 GGADLM COc1ccc2c(c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)CCC2 ZINC000480223162 567590291 /nfs/dbraw/zinc/59/02/91/567590291.db2.gz HVCHAEBAOIQKFJ-UHFFFAOYSA-N -1 2 381.837 3.336 20 0 GGADLM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000439623464 567597243 /nfs/dbraw/zinc/59/72/43/567597243.db2.gz JONPNICFQDYOLP-UHFFFAOYSA-N -1 2 385.800 3.327 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccccc2C)n[nH]1 ZINC000531496269 567663491 /nfs/dbraw/zinc/66/34/91/567663491.db2.gz QGOMTICCAJYIDI-UHFFFAOYSA-N -1 2 377.447 3.254 20 0 GGADLM CCCCc1nc2cc(NS(=O)(=O)c3csc(C(=O)[O-])c3)ccc2[nH]1 ZINC000531528684 567663552 /nfs/dbraw/zinc/66/35/52/567663552.db2.gz SPDDXPKJJNMHKW-UHFFFAOYSA-N -1 2 379.463 3.466 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)sc1C(=O)[O-] ZINC000460839520 567705579 /nfs/dbraw/zinc/70/55/79/567705579.db2.gz VZTVEVVGSXUJPK-UHFFFAOYSA-N -1 2 381.353 3.296 20 0 GGADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461342341 567730651 /nfs/dbraw/zinc/73/06/51/567730651.db2.gz SQWXJKJYJXNIOI-UHFFFAOYSA-N -1 2 381.353 3.275 20 0 GGADLM Cc1ncc(S(=O)(=O)Nc2ccc(-n3cccc3C(=O)[O-])c(C)c2)s1 ZINC000532848840 567738940 /nfs/dbraw/zinc/73/89/40/567738940.db2.gz LMKZPJLMWWVGKE-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM O=S(=O)(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(Cl)ccc1F ZINC000574658041 567790507 /nfs/dbraw/zinc/79/05/07/567790507.db2.gz QNYUPVPUQAZXFQ-UHFFFAOYSA-N -1 2 383.807 3.282 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1Cl ZINC000444426768 567805454 /nfs/dbraw/zinc/80/54/54/567805454.db2.gz VIYGVXMVWHEDEA-UHFFFAOYSA-N -1 2 377.809 3.229 20 0 GGADLM CC(=C(O)c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1c(C)cc(C)cc1C ZINC000738355482 599705109 /nfs/dbraw/zinc/70/51/09/599705109.db2.gz JHBMFJWITBOUEQ-HNNXBMFYSA-N -1 2 391.489 3.441 20 0 GGADLM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cccc1OCC(F)(F)F ZINC000738305744 599748401 /nfs/dbraw/zinc/74/84/01/599748401.db2.gz PSHFBRUXOQLGQA-UHFFFAOYSA-N -1 2 395.380 3.497 20 0 GGADLM CCOc1ccc(OC)cc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000737204254 599851930 /nfs/dbraw/zinc/85/19/30/599851930.db2.gz WMXWFRFYYYJVEV-UHFFFAOYSA-N -1 2 385.825 3.246 20 0 GGADLM O=C([O-])CCc1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000739766910 599854274 /nfs/dbraw/zinc/85/42/74/599854274.db2.gz OEMXYIXKACUUQN-UHFFFAOYSA-N -1 2 375.233 3.206 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)s1 ZINC000740177613 599886349 /nfs/dbraw/zinc/88/63/49/599886349.db2.gz MSKGWZKLTMPDGC-UHFFFAOYSA-N -1 2 383.838 3.086 20 0 GGADLM Cc1ccc(Cn2nccc2NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000738604528 599907943 /nfs/dbraw/zinc/90/79/43/599907943.db2.gz VQBFJCGOQYIZDV-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000738276897 599908308 /nfs/dbraw/zinc/90/83/08/599908308.db2.gz JHJOHBCCARRXOY-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc(Br)c2C)c1C(=O)[O-] ZINC000318804002 599981813 /nfs/dbraw/zinc/98/18/13/599981813.db2.gz WYTXMSSNTOEVGP-UHFFFAOYSA-N -1 2 388.239 3.466 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(OC3CCCC3)nc2)c1C(=O)[O-] ZINC000738970240 599981926 /nfs/dbraw/zinc/98/19/26/599981926.db2.gz SPSAUUWXHYEHGX-UHFFFAOYSA-N -1 2 380.422 3.112 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(OC3CCCC3)nc2)c1 ZINC000740145055 599982151 /nfs/dbraw/zinc/98/21/51/599982151.db2.gz VSRZHLOIKKMMBO-UHFFFAOYSA-N -1 2 380.397 3.041 20 0 GGADLM COc1ccc2nc(NS(=O)(=O)c3cccc(C)c3C(=O)[O-])sc2c1 ZINC000738078533 600050000 /nfs/dbraw/zinc/05/00/00/600050000.db2.gz GGXMSBBXPJGCMN-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM COc1ccc(OC)c(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000738047471 600051843 /nfs/dbraw/zinc/05/18/43/600051843.db2.gz HUOWIMFOOYXCDR-UHFFFAOYSA-N -1 2 393.442 3.418 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n(-c2ccc(Cl)cc2)n1 ZINC000738239751 600053510 /nfs/dbraw/zinc/05/35/10/600053510.db2.gz KCTSCQJUGBQROB-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1ccc(Cn2nccc2NS(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1 ZINC000738604666 600055307 /nfs/dbraw/zinc/05/53/07/600055307.db2.gz XQQFYAXPYKHXSK-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM O=C([O-])c1cc(-c2csc(NS(=O)(=O)/C=C/c3ccccc3)n2)c[nH]1 ZINC000740068284 600055375 /nfs/dbraw/zinc/05/53/75/600055375.db2.gz CPYACMKGJBSTCP-VOTSOKGWSA-N -1 2 375.431 3.249 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])n(-c2ccccc2F)n1 ZINC000738463886 600055777 /nfs/dbraw/zinc/05/57/77/600055777.db2.gz RZGCXXYKNBSCIT-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n(-c2ccccc2F)n1 ZINC000738462372 600055840 /nfs/dbraw/zinc/05/58/40/600055840.db2.gz NPKFTSYQGBKYKX-UHFFFAOYSA-N -1 2 393.396 3.029 20 0 GGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000740145336 600056113 /nfs/dbraw/zinc/05/61/13/600056113.db2.gz QLIMSQKZDOQEPT-UHFFFAOYSA-N -1 2 392.433 3.372 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)c1 ZINC000740277300 600056294 /nfs/dbraw/zinc/05/62/94/600056294.db2.gz GMGWBCPJEBMXQI-UHFFFAOYSA-N -1 2 376.387 3.135 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)c1C(=O)[O-] ZINC000738744098 600057136 /nfs/dbraw/zinc/05/71/36/600057136.db2.gz IYMDWHONXCODBQ-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000730204014 600058487 /nfs/dbraw/zinc/05/84/87/600058487.db2.gz OOPZPIJNYGWNIL-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM CCCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2C1 ZINC000736995649 600100131 /nfs/dbraw/zinc/10/01/31/600100131.db2.gz PELDSAFLQCWWKS-UHFFFAOYSA-N -1 2 380.491 3.363 20 0 GGADLM CCCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2C1 ZINC000736995649 600100134 /nfs/dbraw/zinc/10/01/34/600100134.db2.gz PELDSAFLQCWWKS-UHFFFAOYSA-N -1 2 380.491 3.363 20 0 GGADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3ccccc3Cl)nc2n1 ZINC000738344690 600102318 /nfs/dbraw/zinc/10/23/18/600102318.db2.gz FKVGBIRQWODFDE-UHFFFAOYSA-N -1 2 383.838 3.152 20 0 GGADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3cccc(Cl)c3)nc2n1 ZINC000738346068 600102348 /nfs/dbraw/zinc/10/23/48/600102348.db2.gz UXUUAJTUGJVZEK-UHFFFAOYSA-N -1 2 383.838 3.152 20 0 GGADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3ccc(C)c(Cl)c3)nc2n1 ZINC000738345175 600102450 /nfs/dbraw/zinc/10/24/50/600102450.db2.gz FVNKBIXAXKNIKO-UHFFFAOYSA-N -1 2 397.865 3.461 20 0 GGADLM CSc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)cc1 ZINC000738212217 600102485 /nfs/dbraw/zinc/10/24/85/600102485.db2.gz LKHSGWFYBYUOFJ-UHFFFAOYSA-N -1 2 395.487 3.221 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)c(F)c1 ZINC000738654879 600103557 /nfs/dbraw/zinc/10/35/57/600103557.db2.gz LMPBJFJUPRGRTB-UHFFFAOYSA-N -1 2 378.425 3.233 20 0 GGADLM Cc1nc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000738864923 600179096 /nfs/dbraw/zinc/17/90/96/600179096.db2.gz MPVDJCBURNLVHH-UHFFFAOYSA-N -1 2 380.369 3.110 20 0 GGADLM O=C([O-])[C@@H](CNC(=O)c1c(O)cc(F)cc1F)Cc1ccc2ccccc2c1 ZINC000739409061 600182098 /nfs/dbraw/zinc/18/20/98/600182098.db2.gz QLVZBADQCHQQRX-OAHLLOKOSA-N -1 2 385.366 3.497 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc3cccnc32)c(OC(F)F)c1 ZINC000740154383 600204499 /nfs/dbraw/zinc/20/44/99/600204499.db2.gz AGWRWJHENYCBGI-UHFFFAOYSA-N -1 2 394.355 3.335 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(OC(F)F)c2)c(F)cc1F ZINC000740090558 600233329 /nfs/dbraw/zinc/23/33/29/600233329.db2.gz XKVFQHQTBIZPFV-UHFFFAOYSA-N -1 2 379.287 3.065 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)nc2)c(F)cc1F ZINC000740089741 600235941 /nfs/dbraw/zinc/23/59/41/600235941.db2.gz JSJJVRCVDIFYNY-UHFFFAOYSA-N -1 2 398.387 3.180 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)c(OC(F)F)c1 ZINC000740155853 600237763 /nfs/dbraw/zinc/23/77/63/600237763.db2.gz XXCZCTSXGLRIKU-UHFFFAOYSA-N -1 2 379.287 3.065 20 0 GGADLM CCC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)sc2C1 ZINC000736971261 600243890 /nfs/dbraw/zinc/24/38/90/600243890.db2.gz AJHYWIQYXSKVKM-LBPRGKRZSA-N -1 2 394.518 3.476 20 0 GGADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cnccc2Oc2ccccc2)cc1 ZINC000739886387 600244454 /nfs/dbraw/zinc/24/44/54/600244454.db2.gz JCKDLZCWENGBRI-UHFFFAOYSA-N -1 2 384.413 3.302 20 0 GGADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cc1 ZINC000739890290 600245126 /nfs/dbraw/zinc/24/51/26/600245126.db2.gz ZGONHTNJBCEZEH-UHFFFAOYSA-N -1 2 382.850 3.378 20 0 GGADLM O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000740291328 600259061 /nfs/dbraw/zinc/25/90/61/600259061.db2.gz ZWFCVLQCDRNIET-UHFFFAOYSA-N -1 2 399.343 3.327 20 0 GGADLM O=C([O-])NCc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000740001055 600303773 /nfs/dbraw/zinc/30/37/73/600303773.db2.gz NZKBQDKOLOPQLY-UHFFFAOYSA-N -1 2 392.330 3.413 20 0 GGADLM O=C([O-])CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000739719973 600328891 /nfs/dbraw/zinc/32/88/91/600328891.db2.gz CNBPDOAPDHGIMQ-UHFFFAOYSA-N -1 2 379.388 3.152 20 0 GGADLM O=C([O-])CC[N@H+](Cc1ccc(F)c(F)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000739719973 600328892 /nfs/dbraw/zinc/32/88/92/600328892.db2.gz CNBPDOAPDHGIMQ-UHFFFAOYSA-N -1 2 379.388 3.152 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)N[C@H](c2ccccc2)C(F)(F)F)c(F)cc1F ZINC000740087600 600340732 /nfs/dbraw/zinc/34/07/32/600340732.db2.gz HWWWQUMGQMTULM-CYBMUJFWSA-N -1 2 395.305 3.245 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1OC1CCOCC1 ZINC000265627192 600396155 /nfs/dbraw/zinc/39/61/55/600396155.db2.gz LTRKFNBFLNMHON-UHFFFAOYSA-N -1 2 397.474 3.113 20 0 GGADLM O=C([O-])c1ccncc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000324916112 600513699 /nfs/dbraw/zinc/51/36/99/600513699.db2.gz KKFWUPKZOGKYRS-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM Cc1ccnc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2)n1 ZINC000738793102 600612810 /nfs/dbraw/zinc/61/28/10/600612810.db2.gz QHHQUKYYMVDABF-UHFFFAOYSA-N -1 2 387.392 3.090 20 0 GGADLM Cc1ccnc(-c2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])s3)cc2)n1 ZINC000738792573 600612901 /nfs/dbraw/zinc/61/29/01/600612901.db2.gz NDQKAUWOAUGBNX-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000738777085 600613109 /nfs/dbraw/zinc/61/31/09/600613109.db2.gz FOHAMGBANGSVSH-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000508446808 600670883 /nfs/dbraw/zinc/67/08/83/600670883.db2.gz OSXCKWHOZDIECM-UHFFFAOYSA-N -1 2 392.355 3.321 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(F)c(Br)c2)sc1C(=O)[O-] ZINC000832899307 600672545 /nfs/dbraw/zinc/67/25/45/600672545.db2.gz HZDIXIJZTLXLDE-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM COC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000831354300 600675878 /nfs/dbraw/zinc/67/58/78/600675878.db2.gz YANGGDNMWSGSJP-UHFFFAOYSA-N -1 2 391.426 3.187 20 0 GGADLM CC(C)c1nc(-c2ccccc2NS(=O)(=O)c2csc(C(=O)[O-])c2)n[nH]1 ZINC000614842019 600676594 /nfs/dbraw/zinc/67/65/94/600676594.db2.gz QGBDKQRCRWNNDG-UHFFFAOYSA-N -1 2 392.462 3.156 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)cs1 ZINC000730203770 600681356 /nfs/dbraw/zinc/68/13/56/600681356.db2.gz JPOACQGDCLJDAF-UHFFFAOYSA-N -1 2 383.838 3.086 20 0 GGADLM O=C([O-])c1ccccc1S(=O)(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000833334325 600689085 /nfs/dbraw/zinc/68/90/85/600689085.db2.gz BOSYGKSTDQUROF-UHFFFAOYSA-N -1 2 391.836 3.084 20 0 GGADLM CCOCCOCc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1C ZINC000830017911 600818069 /nfs/dbraw/zinc/81/80/69/600818069.db2.gz ZFTVVXPGZMHIIN-UHFFFAOYSA-N -1 2 399.490 3.109 20 0 GGADLM Cn1cc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)cc1C(=O)[O-] ZINC000833056055 600830515 /nfs/dbraw/zinc/83/05/15/600830515.db2.gz VUYODCLKGRMTSI-UHFFFAOYSA-N -1 2 391.474 3.013 20 0 GGADLM COc1ccc(-c2[nH]ncc2C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000832123860 600888408 /nfs/dbraw/zinc/88/84/08/600888408.db2.gz ANDAGLSGLBWDON-UHFFFAOYSA-N -1 2 380.404 3.447 20 0 GGADLM Cc1ccsc1Cn1nccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000738477794 600892103 /nfs/dbraw/zinc/89/21/03/600892103.db2.gz FWCGDPDUGPIWTN-UHFFFAOYSA-N -1 2 391.474 3.109 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)ccc1C(=O)[O-] ZINC000738477895 600893839 /nfs/dbraw/zinc/89/38/39/600893839.db2.gz IPLAFVYJLZWVQA-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM COc1cc(F)c(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1OC ZINC000265804897 600899968 /nfs/dbraw/zinc/89/99/68/600899968.db2.gz XUUCZAYUPMLLBM-UHFFFAOYSA-N -1 2 397.424 3.006 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)ccc1C(=O)[O-] ZINC000832904232 600975243 /nfs/dbraw/zinc/97/52/43/600975243.db2.gz AORFBMHXHFMPHS-UHFFFAOYSA-N -1 2 394.474 3.106 20 0 GGADLM O=C([O-])c1cc(NC(=O)CCCOc2cccnc2)c(Br)cc1F ZINC000833098314 600975319 /nfs/dbraw/zinc/97/53/19/600975319.db2.gz ODXIERHUUGRRKT-UHFFFAOYSA-N -1 2 397.200 3.479 20 0 GGADLM Cc1nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)sc1C ZINC000049099101 600976221 /nfs/dbraw/zinc/97/62/21/600976221.db2.gz TZFFUSFMKKOENQ-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c[nH]1 ZINC000833306081 600977235 /nfs/dbraw/zinc/97/72/35/600977235.db2.gz BWAFBTNBUGQTQD-UHFFFAOYSA-N -1 2 397.865 3.214 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)cs1 ZINC000833306100 600977353 /nfs/dbraw/zinc/97/73/53/600977353.db2.gz DJYBKOBEBDQLSX-UHFFFAOYSA-N -1 2 398.462 3.434 20 0 GGADLM Cc1nc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)sc1Cc1cccc(F)c1 ZINC000833003816 600977407 /nfs/dbraw/zinc/97/74/07/600977407.db2.gz YKMBILCPWKACQJ-UHFFFAOYSA-N -1 2 395.437 3.009 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cn2)cs1 ZINC000833305895 600982065 /nfs/dbraw/zinc/98/20/65/600982065.db2.gz SEUOCGBGMPBBBP-UHFFFAOYSA-N -1 2 376.415 3.434 20 0 GGADLM CC(C)(C)n1nc(-c2ccccc2)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000826529733 600982515 /nfs/dbraw/zinc/98/25/15/600982515.db2.gz YWQMFKMAOMPOBH-UHFFFAOYSA-N -1 2 388.449 3.132 20 0 GGADLM Cn1c2ccccc2c2cc(S(=O)(=O)Nc3cc(C(=O)[O-])ccn3)ccc21 ZINC000833040817 600983243 /nfs/dbraw/zinc/98/32/43/600983243.db2.gz JKCUFZUPZOSGLO-UHFFFAOYSA-N -1 2 381.413 3.226 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)c1 ZINC000833334156 600989358 /nfs/dbraw/zinc/98/93/58/600989358.db2.gz LRQDSCCZFHSQSQ-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(C)n1 ZINC000832974559 600995746 /nfs/dbraw/zinc/99/57/46/600995746.db2.gz PWOPIVDFKLBAAX-UHFFFAOYSA-N -1 2 385.445 3.203 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)n(C)n1 ZINC000832974571 600995791 /nfs/dbraw/zinc/99/57/91/600995791.db2.gz QZPZMINWSXSIIM-UHFFFAOYSA-N -1 2 385.445 3.203 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])n(C)n1 ZINC000832975038 600995798 /nfs/dbraw/zinc/99/57/98/600995798.db2.gz VLEFIDJGZCVOFX-UHFFFAOYSA-N -1 2 389.408 3.034 20 0 GGADLM Cc1cc(Br)c(S(=O)(=O)Nc2ccsc2C(=O)[O-])s1 ZINC000738313898 601046331 /nfs/dbraw/zinc/04/63/31/601046331.db2.gz ARJMOAQAWPBPPP-UHFFFAOYSA-N -1 2 382.282 3.380 20 0 GGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000740144216 601117113 /nfs/dbraw/zinc/11/71/13/601117113.db2.gz LDYXYAYFDPENPT-UHFFFAOYSA-N -1 2 379.287 3.049 20 0 GGADLM O=C([O-])CCCc1nnc(NC(=O)c2c(O)cc(Cl)cc2Cl)s1 ZINC000833232327 601212018 /nfs/dbraw/zinc/21/20/18/601212018.db2.gz NCIIIMNUYLINPL-UHFFFAOYSA-N -1 2 376.221 3.210 20 0 GGADLM CCCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)c2C1 ZINC000829396679 601232664 /nfs/dbraw/zinc/23/26/64/601232664.db2.gz TYUBTVDCYOLQFO-UHFFFAOYSA-N -1 2 378.450 3.203 20 0 GGADLM CCCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)c2C1 ZINC000829396679 601232666 /nfs/dbraw/zinc/23/26/66/601232666.db2.gz TYUBTVDCYOLQFO-UHFFFAOYSA-N -1 2 378.450 3.203 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c(F)cc1F ZINC000833306035 601235193 /nfs/dbraw/zinc/23/51/93/601235193.db2.gz PNCKHZAEMDWUGJ-UHFFFAOYSA-N -1 2 394.355 3.482 20 0 GGADLM CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(C(=O)[O-])[nH]2)C1 ZINC000829745441 601330829 /nfs/dbraw/zinc/33/08/29/601330829.db2.gz QNXZAEIQUNXFQX-FMIVXFBMSA-N -1 2 377.400 3.335 20 0 GGADLM CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(C(=O)[O-])[nH]2)C1 ZINC000829745441 601330831 /nfs/dbraw/zinc/33/08/31/601330831.db2.gz QNXZAEIQUNXFQX-FMIVXFBMSA-N -1 2 377.400 3.335 20 0 GGADLM Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])s1 ZINC000035426985 601357162 /nfs/dbraw/zinc/35/71/62/601357162.db2.gz GMKJRIVRXROGMM-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM COc1ccc2nc(NS(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)sc2c1 ZINC000006009421 601357799 /nfs/dbraw/zinc/35/77/99/601357799.db2.gz RXBWQJICQUDGBK-RUDMXATFSA-N -1 2 390.442 3.204 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)ccc1F ZINC000833306062 601359478 /nfs/dbraw/zinc/35/94/78/601359478.db2.gz ARUJDCDFYVFCEL-UHFFFAOYSA-N -1 2 392.433 3.372 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccccc2)ns1 ZINC000832853327 601361603 /nfs/dbraw/zinc/36/16/03/601361603.db2.gz WDBKKFXRBPLXJP-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM CC(=O)c1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1 ZINC000825957161 601361924 /nfs/dbraw/zinc/36/19/24/601361924.db2.gz NJTAUKQLSZLZNO-UHFFFAOYSA-N -1 2 382.463 3.142 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cnc1Cl ZINC000832904549 601362899 /nfs/dbraw/zinc/36/28/99/601362899.db2.gz RPOQMLJVTNWHKV-UHFFFAOYSA-N -1 2 389.886 3.296 20 0 GGADLM CCc1ccc(CC)c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)c1 ZINC000830245170 601365813 /nfs/dbraw/zinc/36/58/13/601365813.db2.gz RNEPJWXMAAOONZ-UHFFFAOYSA-N -1 2 397.474 3.159 20 0 GGADLM Cc1oc(CN(C)C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)cc1C(=O)[O-] ZINC000833025957 601386399 /nfs/dbraw/zinc/38/63/99/601386399.db2.gz YCEJFELBSCVFMC-UHFFFAOYSA-N -1 2 389.795 3.103 20 0 GGADLM O=C([O-])C[C@@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1cccs1 ZINC000833200346 601387270 /nfs/dbraw/zinc/38/72/70/601387270.db2.gz OKCDMMPNSLQXND-GFCCVEGCSA-N -1 2 391.836 3.239 20 0 GGADLM CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1Cl ZINC000825908419 601474821 /nfs/dbraw/zinc/47/48/21/601474821.db2.gz ZUBSXEIQFLEUFH-UHFFFAOYSA-N -1 2 388.854 3.167 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(OC2CCCCC2)cc1 ZINC000833345591 601484210 /nfs/dbraw/zinc/48/42/10/601484210.db2.gz VSUPFFMZTKFDTN-UHFFFAOYSA-N -1 2 382.463 3.354 20 0 GGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)c1C ZINC000532291161 601491675 /nfs/dbraw/zinc/49/16/75/601491675.db2.gz HPHOPTXROXJFPN-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM CCC(CC)c1nnc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000828870308 601501906 /nfs/dbraw/zinc/50/19/06/601501906.db2.gz NFYFMLXLMXVSKP-YFHOEESVSA-N -1 2 381.479 3.340 20 0 GGADLM CCC(CC)c1nnc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000828870039 601502025 /nfs/dbraw/zinc/50/20/25/601502025.db2.gz JXKYSFMIUZNUCX-UHFFFAOYSA-N -1 2 391.421 3.219 20 0 GGADLM CCCCCc1nnc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])s1 ZINC000829373361 601502543 /nfs/dbraw/zinc/50/25/43/601502543.db2.gz TXBDWLVAJXQOMV-UHFFFAOYSA-N -1 2 389.886 3.423 20 0 GGADLM CC(C)c1nnc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000827168410 601503377 /nfs/dbraw/zinc/50/33/77/601503377.db2.gz DRLQOBFFKUXLRH-UHFFFAOYSA-N -1 2 395.384 3.179 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nnc(C2CCCCC2)s1 ZINC000832853326 601503710 /nfs/dbraw/zinc/50/37/10/601503710.db2.gz WBPOAKPKJVHADB-UHFFFAOYSA-N -1 2 381.479 3.393 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)cc1 ZINC000833324466 601504302 /nfs/dbraw/zinc/50/43/02/601504302.db2.gz RIXHJBHYUQWFOC-UHFFFAOYSA-N -1 2 381.479 3.160 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2c(ccc(F)c2C)s1 ZINC000832208563 601626973 /nfs/dbraw/zinc/62/69/73/601626973.db2.gz DVOSANLMXQWHQS-UHFFFAOYSA-N -1 2 396.421 3.251 20 0 GGADLM Cc1c2nc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)sc2ccc1F ZINC000832854759 601627881 /nfs/dbraw/zinc/62/78/81/601627881.db2.gz ROTPIKMLNZRKNE-UHFFFAOYSA-N -1 2 384.385 3.382 20 0 GGADLM CCc1ccccc1N1CC(=O)C(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)=N1 ZINC000830270136 601755964 /nfs/dbraw/zinc/75/59/64/601755964.db2.gz MKNIZMCYBHFNEO-UHFFFAOYSA-N -1 2 379.416 3.111 20 0 GGADLM O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc(Cl)cc(Br)c1O)CC2 ZINC000833177254 601758073 /nfs/dbraw/zinc/75/80/73/601758073.db2.gz GPPJPSLEUHMBFY-JTQLQIEISA-N -1 2 388.645 3.135 20 0 GGADLM Cc1nc(NS(=O)(=O)c2csnc2C(=O)[O-])sc1-c1ccccc1 ZINC000833003929 601767666 /nfs/dbraw/zinc/76/76/66/601767666.db2.gz YHWIMXSPEPYDDH-UHFFFAOYSA-N -1 2 381.460 3.074 20 0 GGADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC000327162947 601772279 /nfs/dbraw/zinc/77/22/79/601772279.db2.gz QLMITPPBGYQSGB-UHFFFAOYSA-N -1 2 380.491 3.230 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cnccc2-c2cccc(F)c2)c1 ZINC000833344404 601795618 /nfs/dbraw/zinc/79/56/18/601795618.db2.gz PGFUKERBVFGAEJ-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)ccc1Cl ZINC000833306244 601829295 /nfs/dbraw/zinc/82/92/95/601829295.db2.gz IZFMUSWEGTVPRY-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)ccc1Cl ZINC000755987180 601830037 /nfs/dbraw/zinc/83/00/37/601830037.db2.gz YPLTZUJGFPUURV-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)ccc1Cl ZINC000833303969 601830776 /nfs/dbraw/zinc/83/07/76/601830776.db2.gz BHERFTDMBXUJKF-UHFFFAOYSA-N -1 2 377.809 3.229 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000833345919 601832771 /nfs/dbraw/zinc/83/27/71/601832771.db2.gz HZYSALWOSLSHDL-UHFFFAOYSA-N -1 2 396.446 3.074 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(C2SCCS2)c1 ZINC000833346798 601832973 /nfs/dbraw/zinc/83/29/73/601832973.db2.gz VQQXLPVBOQCKNR-UHFFFAOYSA-N -1 2 388.517 3.121 20 0 GGADLM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccc(Cl)c2cccnc12 ZINC000833345693 601833771 /nfs/dbraw/zinc/83/37/71/601833771.db2.gz ZBEBARIATZPSTH-UHFFFAOYSA-N -1 2 398.227 3.436 20 0 GGADLM CC(C)Oc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1Cl ZINC000827058390 601834302 /nfs/dbraw/zinc/83/43/02/601834302.db2.gz DOLMSVQRQPZBHJ-UHFFFAOYSA-N -1 2 376.843 3.083 20 0 GGADLM CCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000829528361 601836498 /nfs/dbraw/zinc/83/64/98/601836498.db2.gz WKUXPZCDQDKDCP-UHFFFAOYSA-N -1 2 384.841 3.331 20 0 GGADLM CCCCOc1ccccc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000829422406 601836725 /nfs/dbraw/zinc/83/67/25/601836725.db2.gz VLZJGBOIMKGWOE-UHFFFAOYSA-N -1 2 384.841 3.413 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000833346471 601838893 /nfs/dbraw/zinc/83/88/93/601838893.db2.gz PYAJTAJTECJWNW-UHFFFAOYSA-N -1 2 396.490 3.491 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2O)c(Cl)cc1F ZINC000736418293 601841707 /nfs/dbraw/zinc/84/17/07/601841707.db2.gz DJVFTGMSFJEDAK-UHFFFAOYSA-N -1 2 380.180 3.337 20 0 GGADLM COc1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c(C)n1 ZINC000832413263 601851977 /nfs/dbraw/zinc/85/19/77/601851977.db2.gz NATRWIDKJPEIJA-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)c(Cl)c1 ZINC000489564153 601854981 /nfs/dbraw/zinc/85/49/81/601854981.db2.gz RILVZQYTXDCTIS-GFCCVEGCSA-N -1 2 397.836 3.007 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)cc(F)c1F ZINC000759676960 601855509 /nfs/dbraw/zinc/85/55/09/601855509.db2.gz AAEWVHVHKBCJIY-UHFFFAOYSA-N -1 2 397.277 3.204 20 0 GGADLM COc1ccc(OC(C)C)c(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000832424951 601860941 /nfs/dbraw/zinc/86/09/41/601860941.db2.gz LPVOEOMCUOSJND-UHFFFAOYSA-N -1 2 383.397 3.121 20 0 GGADLM COc1cc2nc(C)sc2cc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832111794 601861176 /nfs/dbraw/zinc/86/11/76/601861176.db2.gz JZLHZDKLJDKPNK-UHFFFAOYSA-N -1 2 396.421 3.251 20 0 GGADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000833294775 601862514 /nfs/dbraw/zinc/86/25/14/601862514.db2.gz VDHIJKZLQMLOPS-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])[nH]n1 ZINC000832974510 601863738 /nfs/dbraw/zinc/86/37/38/601863738.db2.gz OFWSKFOBMDWXOL-UHFFFAOYSA-N -1 2 375.381 3.023 20 0 GGADLM Cc1cc(F)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)cc1F ZINC000832887215 601885269 /nfs/dbraw/zinc/88/52/69/601885269.db2.gz IPZANRJYMUGNCF-UHFFFAOYSA-N -1 2 396.415 3.372 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 ZINC000832869454 601901539 /nfs/dbraw/zinc/90/15/39/601901539.db2.gz VSTOBNWLPWYEIH-UHFFFAOYSA-N -1 2 393.371 3.162 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C2CCCCC2)nn1C ZINC000832919773 601964174 /nfs/dbraw/zinc/96/41/74/601964174.db2.gz VTMDBZYDOUDRHH-UHFFFAOYSA-N -1 2 377.466 3.275 20 0 GGADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(CC2CCCCC2)n[nH]1 ZINC000833295223 602103721 /nfs/dbraw/zinc/10/37/21/602103721.db2.gz SCHVSRHBSWUNGF-UHFFFAOYSA-N -1 2 381.429 3.171 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccsc2)s1 ZINC000832918555 602103830 /nfs/dbraw/zinc/10/38/30/602103830.db2.gz MXEDMPZEZFVDRK-UHFFFAOYSA-N -1 2 381.460 3.074 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2ccsc2)s1 ZINC000832867721 602103856 /nfs/dbraw/zinc/10/38/56/602103856.db2.gz CSRIXJPFWZMYQB-UHFFFAOYSA-N -1 2 381.460 3.074 20 0 GGADLM O=C([O-])CCCc1nnc(NS(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000833232091 602105591 /nfs/dbraw/zinc/10/55/91/602105591.db2.gz KVCHVHWGCUAEIL-UHFFFAOYSA-N -1 2 396.277 3.053 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2cccc(F)c2F)[nH]n1 ZINC000471136045 602118977 /nfs/dbraw/zinc/11/89/77/602118977.db2.gz HFHHLVMJXNRHOH-UHFFFAOYSA-N -1 2 393.371 3.162 20 0 GGADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000760365331 602118993 /nfs/dbraw/zinc/11/89/93/602118993.db2.gz QRYPCCMXKZWCLT-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1csnc1C(=O)[O-] ZINC000832858981 602155583 /nfs/dbraw/zinc/15/55/83/602155583.db2.gz STCQWARBEYLQMI-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM O=C([O-])c1nscc1NS(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC000833346695 602156470 /nfs/dbraw/zinc/15/64/70/602156470.db2.gz NNYCCFGSCNPIGK-UHFFFAOYSA-N -1 2 390.442 3.221 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)c1 ZINC000833318279 602170553 /nfs/dbraw/zinc/17/05/53/602170553.db2.gz LWGGPNROQVMZHY-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)ccc1C(=O)[O-] ZINC000832904584 602306798 /nfs/dbraw/zinc/30/67/98/602306798.db2.gz TZVMRYWYLYVFIP-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)ccc1Cl ZINC000833306452 602307224 /nfs/dbraw/zinc/30/72/24/602307224.db2.gz UYSRXHYTRVAHHD-UHFFFAOYSA-N -1 2 395.849 3.358 20 0 GGADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000833317015 602307508 /nfs/dbraw/zinc/30/75/08/602307508.db2.gz KDIBVYJHXQBDGW-UHFFFAOYSA-N -1 2 395.849 3.358 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2O)c(Cl)cc1Cl ZINC000755255502 602307832 /nfs/dbraw/zinc/30/78/32/602307832.db2.gz FEPXWPRACJKWAB-UHFFFAOYSA-N -1 2 380.180 3.337 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(C3CCCCCC3)n[nH]2)ccc1F ZINC000833304324 602308513 /nfs/dbraw/zinc/30/85/13/602308513.db2.gz YMMMUWDTRVVBMA-UHFFFAOYSA-N -1 2 381.429 3.486 20 0 GGADLM COCCN(CCC(=O)[O-])C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000831724747 604288384 /nfs/dbraw/zinc/28/83/84/604288384.db2.gz ALHABWOPOMMGIO-UHFFFAOYSA-N -1 2 377.824 3.276 20 0 GGADLM O=C([O-])C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CCO1 ZINC000833217678 604304315 /nfs/dbraw/zinc/30/43/15/604304315.db2.gz KSWICFFBQILYFI-CQSZACIVSA-N -1 2 375.808 3.028 20 0 GGADLM Cc1ccc(-c2nnc(NS(=O)(=O)c3csc(C(=O)[O-])c3)s2)c(C)c1 ZINC000832908128 604402704 /nfs/dbraw/zinc/40/27/04/604402704.db2.gz SCLMWHDZCPZIRN-UHFFFAOYSA-N -1 2 395.487 3.382 20 0 GGADLM O=C([O-])CCc1csc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000833243475 604623082 /nfs/dbraw/zinc/62/30/82/604623082.db2.gz IDSUGTCOPPJESA-UHFFFAOYSA-N -1 2 398.359 3.119 20 0 GGADLM O=C([O-])CCc1csc(NS(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000833244093 604626006 /nfs/dbraw/zinc/62/60/06/604626006.db2.gz RHGRCXUEDCBOAQ-UHFFFAOYSA-N -1 2 381.262 3.268 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(SC(F)F)nc2)c(F)cc1F ZINC000833305906 604801783 /nfs/dbraw/zinc/80/17/83/604801783.db2.gz VOGVOAPPCHRTKC-UHFFFAOYSA-N -1 2 396.343 3.174 20 0 GGADLM O=C([O-])c1cncc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000325047863 604889081 /nfs/dbraw/zinc/88/90/81/604889081.db2.gz RWJRQNZHGCPNPS-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1C(F)F ZINC000833494864 604903033 /nfs/dbraw/zinc/90/30/33/604903033.db2.gz YWRWVHIXAOGPNT-YVMONPNESA-N -1 2 399.419 3.375 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000833747956 605027332 /nfs/dbraw/zinc/02/73/32/605027332.db2.gz PMHCZUNJEMYWPZ-VOTSOKGWSA-N -1 2 391.430 3.109 20 0 GGADLM Cc1nc(NS(=O)(=O)c2cc(C)ccc2Br)sc1C(=O)[O-] ZINC000833747461 605117788 /nfs/dbraw/zinc/11/77/88/605117788.db2.gz QHEXZBFREXYFAF-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000833741293 605124577 /nfs/dbraw/zinc/12/45/77/605124577.db2.gz GMQJEFUNRRULEP-UHFFFAOYSA-N -1 2 379.463 3.486 20 0 GGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000833741461 605127602 /nfs/dbraw/zinc/12/76/02/605127602.db2.gz NXFHPMAZKKNKJY-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1C(C)C ZINC000833494028 605151060 /nfs/dbraw/zinc/15/10/60/605151060.db2.gz PRCYDIAZTGAORN-UHFFFAOYSA-N -1 2 383.445 3.301 20 0 GGADLM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Cl)c2O)c(OC)c1 ZINC000833731803 605272580 /nfs/dbraw/zinc/27/25/80/605272580.db2.gz FYKUKRZQKDAWGO-AWEZNQCLSA-N -1 2 379.796 3.009 20 0 GGADLM CC(C)(C)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(F)(F)F ZINC000833424673 605298592 /nfs/dbraw/zinc/29/85/92/605298592.db2.gz RQMGEBKJTWJSSZ-NSHDSACASA-N -1 2 389.342 3.308 20 0 GGADLM CC(C)(C)[C@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)sc2C1 ZINC000833426434 605304600 /nfs/dbraw/zinc/30/46/00/605304600.db2.gz UGOYQVNDNMOUNG-JTQLQIEISA-N -1 2 395.506 3.188 20 0 GGADLM CC(C)CC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2C1 ZINC000833483063 605342887 /nfs/dbraw/zinc/34/28/87/605342887.db2.gz FZOHHOFOSPTIHG-UHFFFAOYSA-N -1 2 378.450 3.140 20 0 GGADLM CC(C)CC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2C1 ZINC000833483063 605342894 /nfs/dbraw/zinc/34/28/94/605342894.db2.gz FZOHHOFOSPTIHG-UHFFFAOYSA-N -1 2 378.450 3.140 20 0 GGADLM CC(C)C[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2C1 ZINC000833488059 605447124 /nfs/dbraw/zinc/44/71/24/605447124.db2.gz NWMADELJSLYISM-UHFFFAOYSA-N -1 2 380.491 3.219 20 0 GGADLM CC(C)C[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2C1 ZINC000833488059 605447130 /nfs/dbraw/zinc/44/71/30/605447130.db2.gz NWMADELJSLYISM-UHFFFAOYSA-N -1 2 380.491 3.219 20 0 GGADLM CCOCCOCc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000055633193 1407032358 /nfs/dbraw/zinc/03/23/58/1407032358.db2.gz KPNGDLDDERMTIA-UHFFFAOYSA-N -1 2 399.490 3.109 20 0 GGADLM O=C(NCCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(F)(F)F ZINC000826437087 1426904388 /nfs/dbraw/zinc/90/43/88/1426904388.db2.gz VPHQSEYXOYYVQZ-UHFFFAOYSA-N -1 2 399.320 3.046 20 0 GGADLM O=C(NCCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(F)(F)F ZINC000826437087 1426904390 /nfs/dbraw/zinc/90/43/90/1426904390.db2.gz VPHQSEYXOYYVQZ-UHFFFAOYSA-N -1 2 399.320 3.046 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c[nH]nc32)cc(Cl)c1Cl ZINC000058488732 1407835748 /nfs/dbraw/zinc/83/57/48/1407835748.db2.gz FCQJAPJOVPHOJD-UHFFFAOYSA-N -1 2 386.216 3.369 20 0 GGADLM CCOc1ncccc1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000058494179 1407837008 /nfs/dbraw/zinc/83/70/08/1407837008.db2.gz YMUZGWPPFDBMHX-UHFFFAOYSA-N -1 2 391.232 3.286 20 0 GGADLM CC(C)(C)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cn1 ZINC000065833768 1408738053 /nfs/dbraw/zinc/73/80/53/1408738053.db2.gz IQJGSWOGQPAFKD-UHFFFAOYSA-N -1 2 377.466 3.016 20 0 GGADLM Cc1cc(C)cc(-c2nnc(NC(=O)c3ccc(-c4nnn[n-]4)s3)s2)c1 ZINC000822196555 1428413900 /nfs/dbraw/zinc/41/39/00/1428413900.db2.gz NGDVXIUWZFFRIF-UHFFFAOYSA-N -1 2 383.462 3.316 20 0 GGADLM Cc1ccc(-n2cc(S(=O)(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cn2)cc1 ZINC000078869846 1409938738 /nfs/dbraw/zinc/93/87/38/1409938738.db2.gz UGAXIVMRQGZTKM-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1OC ZINC000102907585 1410806098 /nfs/dbraw/zinc/80/60/98/1410806098.db2.gz LFLYRVBQCCNZBE-UHFFFAOYSA-N -1 2 393.852 3.344 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)nc2)c(Br)s1 ZINC000109118252 1411687158 /nfs/dbraw/zinc/68/71/58/1411687158.db2.gz ZJKOFRHHNZLFEX-UHFFFAOYSA-N -1 2 397.659 3.058 20 0 GGADLM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1nnc(C=Cc2ccco2)s1 ZINC000826408591 1428830958 /nfs/dbraw/zinc/83/09/58/1428830958.db2.gz NHMBIFLWHVUIDU-CSKARUKUSA-N -1 2 393.432 3.053 20 0 GGADLM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1nnc(C=Cc2ccco2)s1 ZINC000826408591 1428830966 /nfs/dbraw/zinc/83/09/66/1428830966.db2.gz NHMBIFLWHVUIDU-CSKARUKUSA-N -1 2 393.432 3.053 20 0 GGADLM C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000125712337 1415259807 /nfs/dbraw/zinc/25/98/07/1415259807.db2.gz GCFNPNJZXPGDDV-GFCCVEGCSA-N -1 2 399.438 3.003 20 0 GGADLM CC(C)Cc1nnc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000735851514 1429095090 /nfs/dbraw/zinc/09/50/90/1429095090.db2.gz YDJQAMQJMWPYGV-UHFFFAOYSA-N -1 2 398.496 3.113 20 0 GGADLM CC(C)Cc1nnc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000735851514 1429095091 /nfs/dbraw/zinc/09/50/91/1429095091.db2.gz YDJQAMQJMWPYGV-UHFFFAOYSA-N -1 2 398.496 3.113 20 0 GGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(-c3ncco3)c2)c1 ZINC000132795031 1416815651 /nfs/dbraw/zinc/81/56/51/1416815651.db2.gz IZDYZBSBFALQHT-UHFFFAOYSA-N -1 2 376.365 3.288 20 0 GGADLM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc(-c2ccc(F)cc2)ns1 ZINC000737804154 1429180229 /nfs/dbraw/zinc/18/02/29/1429180229.db2.gz YMEORQOZVJFGNR-YFHOEESVSA-N -1 2 393.407 3.176 20 0 GGADLM CCc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)cc1C(=O)[O-] ZINC000137645048 1417392028 /nfs/dbraw/zinc/39/20/28/1417392028.db2.gz JXAIZGWOFNQFNZ-UHFFFAOYSA-N -1 2 389.408 3.073 20 0 GGADLM Cc1c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1CCC(C)C ZINC000137826019 1417396759 /nfs/dbraw/zinc/39/67/59/1417396759.db2.gz QFBCEFRPRXDIOI-UHFFFAOYSA-N -1 2 379.482 3.056 20 0 GGADLM O=C1[C@H](Nc2ccc3c4c(cccc42)CC3)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823511943 1429225886 /nfs/dbraw/zinc/22/58/86/1429225886.db2.gz JJAVOTRJNWDHGW-HXUWFJFHSA-N -1 2 396.454 3.336 20 0 GGADLM CC[N@@H+](CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)C1CC1 ZINC000151497883 1418003991 /nfs/dbraw/zinc/00/39/91/1418003991.db2.gz XVKKFJXMONUEQL-UHFFFAOYSA-N -1 2 397.497 3.111 20 0 GGADLM Cn1c(=O)c2ccc(C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)cc2[nH]c1=S ZINC000155543359 1423410384 /nfs/dbraw/zinc/41/03/84/1423410384.db2.gz ZZFTZCGFUOBQLR-UHFFFAOYSA-N -1 2 396.255 3.487 20 0 GGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000156308934 1423770867 /nfs/dbraw/zinc/77/08/67/1423770867.db2.gz YBGZEHRFJHAIEW-UHFFFAOYSA-N -1 2 375.381 3.023 20 0 GGADLM CCn1ncc2ccc(NS(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)cc21 ZINC000156312343 1423772057 /nfs/dbraw/zinc/77/20/57/1423772057.db2.gz XJGJKJRZDPQCHH-UHFFFAOYSA-N -1 2 377.397 3.003 20 0 GGADLM CSCc1ccc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826229258 1423930077 /nfs/dbraw/zinc/93/00/77/1423930077.db2.gz WWQMMXMMKHEDPB-UHFFFAOYSA-N -1 2 395.897 3.184 20 0 GGADLM Cc1c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1cc(C)ccc1C ZINC000161821282 1424772224 /nfs/dbraw/zinc/77/22/24/1424772224.db2.gz NGYFHWKQVIPIOI-UHFFFAOYSA-N -1 2 399.472 3.225 20 0 GGADLM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1sccc1-c1nnn[n-]1 ZINC000823383472 1425717639 /nfs/dbraw/zinc/71/76/39/1425717639.db2.gz RSQNFJHASYUXSK-UHFFFAOYSA-N -1 2 389.853 3.352 20 0 GGADLM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1sccc1-c1nn[n-]n1 ZINC000823383472 1425717644 /nfs/dbraw/zinc/71/76/44/1425717644.db2.gz RSQNFJHASYUXSK-UHFFFAOYSA-N -1 2 389.853 3.352 20 0 GGADLM CSc1cccc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1C ZINC000826230968 1425788696 /nfs/dbraw/zinc/78/86/96/1425788696.db2.gz QUIQKZUTXNNZKK-UHFFFAOYSA-N -1 2 395.897 3.351 20 0 GGADLM Cc1cc(C(=O)Nc2cccc(-c3cccs3)c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000174475458 1427172520 /nfs/dbraw/zinc/17/25/20/1427172520.db2.gz CGYROUXOUALEEO-UHFFFAOYSA-N -1 2 378.413 3.313 20 0 GGADLM O=C(Nc1cc(Cl)cc(Br)c1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823299235 1427366030 /nfs/dbraw/zinc/36/60/30/1427366030.db2.gz NLUVQXOAQLTXKA-UHFFFAOYSA-N -1 2 394.616 3.241 20 0 GGADLM O=C(Nc1cc(Cl)cc(Br)c1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823299235 1427366037 /nfs/dbraw/zinc/36/60/37/1427366037.db2.gz NLUVQXOAQLTXKA-UHFFFAOYSA-N -1 2 394.616 3.241 20 0 GGADLM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000821294839 1427420858 /nfs/dbraw/zinc/42/08/58/1427420858.db2.gz YUXKRERIIYBAFO-NWDGAFQWSA-N -1 2 384.390 3.319 20 0 GGADLM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823382985 1427739253 /nfs/dbraw/zinc/73/92/53/1427739253.db2.gz IMUZRMLYKVSPPM-UHFFFAOYSA-N -1 2 389.853 3.352 20 0 GGADLM Cc1ccc(-c2nnc(NC(=O)c3cc(-c4nnn[n-]4)cs3)s2)c(C)c1 ZINC000822214256 1428204653 /nfs/dbraw/zinc/20/46/53/1428204653.db2.gz WRTNDYOHNJMCHG-UHFFFAOYSA-N -1 2 383.462 3.316 20 0 GGADLM C[C@@H](NC(=O)c1c(O)cc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820384902 1429859340 /nfs/dbraw/zinc/85/93/40/1429859340.db2.gz MTFDCYDKBLPITC-MRVPVSSYSA-N -1 2 378.219 3.370 20 0 GGADLM C[C@@H](NC(=O)c1c(O)cc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820384902 1429859345 /nfs/dbraw/zinc/85/93/45/1429859345.db2.gz MTFDCYDKBLPITC-MRVPVSSYSA-N -1 2 378.219 3.370 20 0 GGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccn(CCC(C)C)n2)c(C)c1CC(=O)[O-] ZINC000181287285 1430263517 /nfs/dbraw/zinc/26/35/17/1430263517.db2.gz KUTYYXRNMXUSOJ-UHFFFAOYSA-N -1 2 393.509 3.282 20 0 GGADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000181726807 1430348593 /nfs/dbraw/zinc/34/85/93/1430348593.db2.gz DSAQXCCCPCFCHM-UHFFFAOYSA-N -1 2 379.482 3.217 20 0 GGADLM Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000181786902 1430360105 /nfs/dbraw/zinc/36/01/05/1430360105.db2.gz PDHUMLPJBVGEKY-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM CC[C@H](Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1)C(=O)[O-] ZINC000184900684 1431016842 /nfs/dbraw/zinc/01/68/42/1431016842.db2.gz CRTLOMUYAORRQW-MRXNPFEDSA-N -1 2 399.472 3.326 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc(C(=O)[O-])c1Cl ZINC000187716884 1431803371 /nfs/dbraw/zinc/80/33/71/1431803371.db2.gz IRUWXGBAPSCESE-JTQLQIEISA-N -1 2 383.857 3.315 20 0 GGADLM CCc1c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1cccc(C)c1 ZINC000189461465 1432120131 /nfs/dbraw/zinc/12/01/31/1432120131.db2.gz QMTRGDKRKNFEBW-UHFFFAOYSA-N -1 2 399.472 3.171 20 0 GGADLM CCOc1cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc(Cl)c1O ZINC000194585935 1433201713 /nfs/dbraw/zinc/20/17/13/1433201713.db2.gz LGJZOGVDUWYRRQ-UHFFFAOYSA-N -1 2 388.895 3.445 20 0 GGADLM O=S(=O)(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc2ccccc2o1 ZINC000823582963 1441444894 /nfs/dbraw/zinc/44/48/94/1441444894.db2.gz FBXXRMZUJCLWDM-UHFFFAOYSA-N -1 2 375.797 3.067 20 0 GGADLM Cc1cc(C)cc(-c2nnc(NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)s2)c1 ZINC000737251196 1443489263 /nfs/dbraw/zinc/48/92/63/1443489263.db2.gz BXDHOHFTEZBWGE-UHFFFAOYSA-N -1 2 391.460 3.183 20 0 GGADLM Cc1cc(C)cc(-c2nnc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)s2)c1 ZINC000737251196 1443489265 /nfs/dbraw/zinc/48/92/65/1443489265.db2.gz BXDHOHFTEZBWGE-UHFFFAOYSA-N -1 2 391.460 3.183 20 0 GGADLM O=S(=O)(Nc1cccc(-c2nnn[n-]2)c1)c1c(Cl)cc(F)cc1Cl ZINC000435894696 1443608399 /nfs/dbraw/zinc/60/83/99/1443608399.db2.gz XCXBALUEGBBJDW-UHFFFAOYSA-N -1 2 388.211 3.113 20 0 GGADLM O=S(=O)(Nc1cccc(-c2nn[n-]n2)c1)c1c(Cl)cc(F)cc1Cl ZINC000435894696 1443608400 /nfs/dbraw/zinc/60/84/00/1443608400.db2.gz XCXBALUEGBBJDW-UHFFFAOYSA-N -1 2 388.211 3.113 20 0 GGADLM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Nc1ccccc1OC1CCCC1 ZINC000737224976 1443875791 /nfs/dbraw/zinc/87/57/91/1443875791.db2.gz JUEHEWBNLUEVBK-UHFFFAOYSA-N -1 2 399.476 3.297 20 0 GGADLM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Nc1ccccc1OC1CCCC1 ZINC000737224976 1443875793 /nfs/dbraw/zinc/87/57/93/1443875793.db2.gz JUEHEWBNLUEVBK-UHFFFAOYSA-N -1 2 399.476 3.297 20 0 GGADLM C[C@@H](NC(=O)Nc1nc(-c2ccccc2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380594 1446160930 /nfs/dbraw/zinc/16/09/30/1446160930.db2.gz XDAJPCFBRAPLAV-LLVKDONJSA-N -1 2 392.448 3.268 20 0 GGADLM C[C@@H](NC(=O)Nc1nc(-c2ccccc2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380594 1446160934 /nfs/dbraw/zinc/16/09/34/1446160934.db2.gz XDAJPCFBRAPLAV-LLVKDONJSA-N -1 2 392.448 3.268 20 0 GGADLM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000824737517 1447184711 /nfs/dbraw/zinc/18/47/11/1447184711.db2.gz HPVHAZQZELFHBL-LLVKDONJSA-N -1 2 399.480 3.172 20 0 GGADLM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000824737517 1447184717 /nfs/dbraw/zinc/18/47/17/1447184717.db2.gz HPVHAZQZELFHBL-LLVKDONJSA-N -1 2 399.480 3.172 20 0 GGADLM O=C(CC1CCC1)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822941550 1447211732 /nfs/dbraw/zinc/21/17/32/1447211732.db2.gz ZLTCJNFUVJWNCJ-UHFFFAOYSA-N -1 2 387.494 3.139 20 0 GGADLM O=C(CC1CCC1)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822941550 1447211735 /nfs/dbraw/zinc/21/17/35/1447211735.db2.gz ZLTCJNFUVJWNCJ-UHFFFAOYSA-N -1 2 387.494 3.139 20 0 GGADLM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Nc1cnc(-c2ccccc2)s1 ZINC000826255606 1449469384 /nfs/dbraw/zinc/46/93/84/1449469384.db2.gz DHHGRRGFMHJWRV-UHFFFAOYSA-N -1 2 398.473 3.099 20 0 GGADLM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Nc1cnc(-c2ccccc2)s1 ZINC000826255606 1449469385 /nfs/dbraw/zinc/46/93/85/1449469385.db2.gz DHHGRRGFMHJWRV-UHFFFAOYSA-N -1 2 398.473 3.099 20 0 GGADLM O=S(=O)(Nc1ccccc1-c1nnn[n-]1)c1ccc(Cl)c2ccccc21 ZINC000826492957 1450526516 /nfs/dbraw/zinc/52/65/16/1450526516.db2.gz NAFMFRCNUFVPHE-UHFFFAOYSA-N -1 2 385.836 3.474 20 0 GGADLM O=S(=O)(Nc1ccccc1-c1nn[n-]n1)c1ccc(Cl)c2ccccc21 ZINC000826492957 1450526517 /nfs/dbraw/zinc/52/65/17/1450526517.db2.gz NAFMFRCNUFVPHE-UHFFFAOYSA-N -1 2 385.836 3.474 20 0 GGADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000325074117 971181955 /nfs/dbraw/zinc/18/19/55/971181955.db2.gz YFYFJOOZDICCEF-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)c1 ZINC000326722296 971321355 /nfs/dbraw/zinc/32/13/55/971321355.db2.gz BZKZFITXULIDSO-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000327594443 971411303 /nfs/dbraw/zinc/41/13/03/971411303.db2.gz GGRHWYXUWURQBA-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000327940452 971435475 /nfs/dbraw/zinc/43/54/75/971435475.db2.gz ZJFIBFXOIRBTGX-UHFFFAOYSA-N -1 2 385.825 3.165 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2cc(Br)ccc2C)c1C(=O)[O-] ZINC000387407408 972122168 /nfs/dbraw/zinc/12/21/68/972122168.db2.gz CPLYENUKMFWPLS-UHFFFAOYSA-N -1 2 388.239 3.466 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1Br ZINC000007230500 956882645 /nfs/dbraw/zinc/88/26/45/956882645.db2.gz YEZYVILEFHPIRP-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(F)ccc1F ZINC000013078437 956929257 /nfs/dbraw/zinc/92/92/57/956929257.db2.gz NHHPFBCQPPJCQU-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM O=C([O-])c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000013078353 956929550 /nfs/dbraw/zinc/92/95/50/956929550.db2.gz GLTXUXJAFKWYFY-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM CCc1ccc2nc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)sc2c1 ZINC000013262065 956999334 /nfs/dbraw/zinc/99/93/34/956999334.db2.gz GVIAMNOJQJXZPB-UHFFFAOYSA-N -1 2 380.422 3.497 20 0 GGADLM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc(Br)c(F)cc2O)c2ccccc21 ZINC001594727316 957016433 /nfs/dbraw/zinc/01/64/33/957016433.db2.gz RJWTUTVCDHAHRW-QMTHXVAHSA-N -1 2 394.196 3.337 20 0 GGADLM CCc1ccc2nc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3OC)sc2c1 ZINC000013360381 957038412 /nfs/dbraw/zinc/03/84/12/957038412.db2.gz NDUWTNSODPCRTE-UHFFFAOYSA-N -1 2 392.458 3.366 20 0 GGADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1nc(C(C)C)cs1 ZINC000392137653 972414695 /nfs/dbraw/zinc/41/46/95/972414695.db2.gz PHHBMQQOCQTJSM-UHFFFAOYSA-N -1 2 390.870 3.428 20 0 GGADLM CCc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000189462711 959508932 /nfs/dbraw/zinc/50/89/32/959508932.db2.gz KMFZAMMRBIHOQK-UHFFFAOYSA-N -1 2 391.474 3.304 20 0 GGADLM CC(C)c1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000192154525 959590703 /nfs/dbraw/zinc/59/07/03/959590703.db2.gz RHCGKORFLKVQCV-UHFFFAOYSA-N -1 2 385.445 3.495 20 0 GGADLM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2cc(F)ccc2C)c1OC ZINC000208028495 959666929 /nfs/dbraw/zinc/66/69/29/959666929.db2.gz USANQGDKACAUJQ-ALCCZGGFSA-N -1 2 395.408 3.050 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccnc2C(F)(F)F)ccc1Cl ZINC001188279818 960551572 /nfs/dbraw/zinc/55/15/72/960551572.db2.gz PSIWLLCEAFOFKN-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)c(F)cc1F ZINC001195237349 960569767 /nfs/dbraw/zinc/56/97/67/960569767.db2.gz CKIMUPKXHNRPAX-UHFFFAOYSA-N -1 2 380.328 3.119 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573857148 961152992 /nfs/dbraw/zinc/15/29/92/961152992.db2.gz KYRQLZNGQKIMTH-UHFFFAOYSA-N -1 2 385.445 3.456 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(F)c(Br)c2)c1C(=O)[O-] ZINC000317477302 970362772 /nfs/dbraw/zinc/36/27/72/970362772.db2.gz KMHUNUGYIZTBMG-UHFFFAOYSA-N -1 2 392.202 3.297 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1F ZINC000427317652 974052295 /nfs/dbraw/zinc/05/22/95/974052295.db2.gz XFWZPMBPZSELQL-UHFFFAOYSA-N -1 2 397.277 3.362 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c(F)c1 ZINC000432198236 974092404 /nfs/dbraw/zinc/09/24/04/974092404.db2.gz LGHANBOUMOGQAJ-UHFFFAOYSA-N -1 2 376.365 3.343 20 0 GGADLM COc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)ccc1C(=O)[O-] ZINC000432779115 974096583 /nfs/dbraw/zinc/09/65/83/974096583.db2.gz JHLVXADYVGKKHG-UHFFFAOYSA-N -1 2 393.314 3.352 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c(F)c1 ZINC000438796422 974104721 /nfs/dbraw/zinc/10/47/21/974104721.db2.gz MQOUMZUIVCBKAX-UHFFFAOYSA-N -1 2 378.425 3.315 20 0 GGADLM CO[C@H]1CCOc2c(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cccc21 ZINC000447788659 974125459 /nfs/dbraw/zinc/12/54/59/974125459.db2.gz RGGJBTFQZPGUGO-AWEZNQCLSA-N -1 2 397.836 3.309 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000467763081 974191693 /nfs/dbraw/zinc/19/16/93/974191693.db2.gz QWUKVSLIJUUSFS-CYBMUJFWSA-N -1 2 395.433 3.035 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000467754041 974192271 /nfs/dbraw/zinc/19/22/71/974192271.db2.gz MMWVZEHWIIYOFU-UHFFFAOYSA-N -1 2 392.364 3.413 20 0 GGADLM CCCCn1ncc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C(C)C ZINC000480247502 974218695 /nfs/dbraw/zinc/21/86/95/974218695.db2.gz MGBGPEBSOUZNJR-UHFFFAOYSA-N -1 2 379.482 3.235 20 0 GGADLM CCc1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1C(CC)CC ZINC000480217049 974218814 /nfs/dbraw/zinc/21/88/14/974218814.db2.gz AEFAJDXERRERLX-UHFFFAOYSA-N -1 2 383.445 3.445 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC000481952865 974219413 /nfs/dbraw/zinc/21/94/13/974219413.db2.gz VXUODXOGMGPTCV-UHFFFAOYSA-N -1 2 387.413 3.383 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)ccc1Cl ZINC000509554519 974282029 /nfs/dbraw/zinc/28/20/29/974282029.db2.gz JVXCXURHRFGTQZ-UHFFFAOYSA-N -1 2 391.836 3.084 20 0 GGADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C1CC1 ZINC000534976039 974379513 /nfs/dbraw/zinc/37/95/13/974379513.db2.gz KRZIFWYOYPRULU-SNVBAGLBSA-N -1 2 381.429 3.370 20 0 GGADLM CC(C)Oc1c(F)cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1F ZINC000542236234 974414243 /nfs/dbraw/zinc/41/42/43/974414243.db2.gz UEZWLWJHLFCTEF-UHFFFAOYSA-N -1 2 389.351 3.390 20 0 GGADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C1CC1 ZINC000558587220 974495733 /nfs/dbraw/zinc/49/57/33/974495733.db2.gz YQYZVAWNNAPPRF-GFCCVEGCSA-N -1 2 377.466 3.159 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2csc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000671663423 976011687 /nfs/dbraw/zinc/01/16/87/976011687.db2.gz JJIFNXFZOWOJRX-UHFFFAOYSA-N -1 2 390.442 3.318 20 0 GGADLM CC(C)c1ccc(N2CC(=O)C(C(=O)NCc3ccc(C(=O)[O-])cc3)=N2)cc1 ZINC001591943489 976479517 /nfs/dbraw/zinc/47/95/17/976479517.db2.gz LXLHTCPJSRLFRO-UHFFFAOYSA-N -1 2 379.416 3.330 20 0 GGADLM CC(C)c1sc(NS(=O)(=O)c2cccc3scnc32)nc1C(=O)[O-] ZINC001592116959 976918732 /nfs/dbraw/zinc/91/87/32/976918732.db2.gz KXKBMVJBDYKKFN-UHFFFAOYSA-N -1 2 383.476 3.375 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1 ZINC000738688817 978588502 /nfs/dbraw/zinc/58/85/02/978588502.db2.gz LZSDZAQCXLXHBL-UHFFFAOYSA-N -1 2 392.433 3.372 20 0 GGADLM CN(C)C(=O)Sc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000743258239 978677735 /nfs/dbraw/zinc/67/77/35/978677735.db2.gz OLZYQURVAQJZNN-UHFFFAOYSA-N -1 2 398.437 3.098 20 0 GGADLM CN(C)C(=O)Sc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000743258229 978677787 /nfs/dbraw/zinc/67/77/87/978677787.db2.gz NWISFDDDFZZBHF-UHFFFAOYSA-N -1 2 398.437 3.098 20 0 GGADLM Cc1nccc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2)n1 ZINC000745977039 978679306 /nfs/dbraw/zinc/67/93/06/978679306.db2.gz OXDAOCFXAKJWOZ-UHFFFAOYSA-N -1 2 387.392 3.090 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc3c(cnn3C(F)F)c2)c1 ZINC000746597445 978685807 /nfs/dbraw/zinc/68/58/07/978685807.db2.gz IUQKJMMGHOSPRL-UHFFFAOYSA-N -1 2 385.323 3.070 20 0 GGADLM O=C([O-])c1ccc(Br)c(S(=O)(=O)Nc2cccc3cc[nH]c32)c1 ZINC000775296887 978747641 /nfs/dbraw/zinc/74/76/41/978747641.db2.gz FBOHSHQPMCZZMS-UHFFFAOYSA-N -1 2 395.234 3.429 20 0 GGADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cnoc2-c2ccccc2)c1 ZINC000776748840 978775028 /nfs/dbraw/zinc/77/50/28/978775028.db2.gz KWVRMWNUQPEGNX-UHFFFAOYSA-N -1 2 378.793 3.494 20 0 GGADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1C ZINC000790417484 978799080 /nfs/dbraw/zinc/79/90/80/978799080.db2.gz LACIOQIKZFVIPK-MRVPVSSYSA-N -1 2 389.836 3.454 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)nn1[C@H](C)C1CC1 ZINC000793407963 978808593 /nfs/dbraw/zinc/80/85/93/978808593.db2.gz ISMGHZGQJILASQ-LLVKDONJSA-N -1 2 381.429 3.109 20 0 GGADLM CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)c(F)cc1C ZINC000794758201 978819268 /nfs/dbraw/zinc/81/92/68/978819268.db2.gz YFRGLZAEFPAACA-UHFFFAOYSA-N -1 2 395.408 3.118 20 0 GGADLM COc1ccc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc2c1 ZINC000795367725 978831925 /nfs/dbraw/zinc/83/19/25/978831925.db2.gz GLIKCBUZLPPZFS-UHFFFAOYSA-N -1 2 375.377 3.487 20 0 GGADLM Cc1ccc(-c2ccnn2C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000799127806 978836617 /nfs/dbraw/zinc/83/66/17/978836617.db2.gz RJKVZBYHENUQGC-UHFFFAOYSA-N -1 2 389.408 3.034 20 0 GGADLM Cc1nc(Cl)ccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000806636658 978851047 /nfs/dbraw/zinc/85/10/47/978851047.db2.gz SLGIUNGTDDTBCU-UHFFFAOYSA-N -1 2 384.841 3.330 20 0 GGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc([C@@H]3CCOC3)cc2)c1F ZINC000830009310 979011045 /nfs/dbraw/zinc/01/10/45/979011045.db2.gz XPFDYUCLJKVWHC-CYBMUJFWSA-N -1 2 379.409 3.137 20 0 GGADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c1C ZINC001595029426 979157288 /nfs/dbraw/zinc/15/72/88/979157288.db2.gz XHTHBVFUEMSLSL-NSHDSACASA-N -1 2 388.449 3.210 20 0 GGADLM CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])cc2O1 ZINC001595372260 980860046 /nfs/dbraw/zinc/86/00/46/980860046.db2.gz BZCIRORGUJTNMY-KRWDZBQOSA-N -1 2 381.406 3.293 20 0 GGADLM CC[C@H]1CCc2nc(NS(=O)(=O)Cc3cccc(C(=O)[O-])c3)sc2C1 ZINC001595473693 981184247 /nfs/dbraw/zinc/18/42/47/981184247.db2.gz ZQSLNBVEUFPATR-NSHDSACASA-N -1 2 380.491 3.298 20 0 GGADLM CCC(C)(C)c1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cc1 ZINC001594815896 981947798 /nfs/dbraw/zinc/94/77/98/981947798.db2.gz UFBWIYJFWUEQIQ-UHFFFAOYSA-N -1 2 379.482 3.191 20 0 GGADLM CC[C@@](C)(NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(F)(F)F ZINC001594853429 982112071 /nfs/dbraw/zinc/11/20/71/982112071.db2.gz VYHVPUOXZYCZSY-LLVKDONJSA-N -1 2 377.743 3.187 20 0 GGADLM CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001594922039 982473933 /nfs/dbraw/zinc/47/39/33/982473933.db2.gz WFDJOLKXWMSEEV-KSBSHMNSSA-N -1 2 391.770 3.433 20 0 GGADLM CCCCc1nnc(NS(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC001595798734 982611396 /nfs/dbraw/zinc/61/13/96/982611396.db2.gz FYYCEMMCMTUHCS-UHFFFAOYSA-N -1 2 383.495 3.044 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001595890728 982921247 /nfs/dbraw/zinc/92/12/47/982921247.db2.gz AUNKKUOARNZVOB-NWDGAFQWSA-N -1 2 377.466 3.027 20 0 GGADLM CCCc1c(C(=O)Nc2nccc(Br)c2O)[nH]c(C)c1C(=O)[O-] ZINC001596046758 983339497 /nfs/dbraw/zinc/33/94/97/983339497.db2.gz GULWNFPKPWUEIP-UHFFFAOYSA-N -1 2 382.214 3.089 20 0 GGADLM CCOC(=O)c1sc(NS(=O)(=O)c2c(C)csc2C(=O)[O-])cc1C ZINC001596761498 985154113 /nfs/dbraw/zinc/15/41/13/985154113.db2.gz WBZXLGLVIGJHLH-UHFFFAOYSA-N -1 2 389.476 3.102 20 0 GGADLM C[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C[C@@H](C(=O)[O-])O1 ZINC001599923413 985168817 /nfs/dbraw/zinc/16/88/17/985168817.db2.gz DHUVUFHHAHWIIH-ZBEGNZNMSA-N -1 2 375.808 3.027 20 0 GGADLM Cc1[nH]c(C(=O)[C@@H](C)S(=O)(=O)Cc2ccc(Cl)s2)c(C)c1C(=O)[O-] ZINC001599947133 985547457 /nfs/dbraw/zinc/54/74/57/985547457.db2.gz AQDCKQBHVKJNGK-SECBINFHSA-N -1 2 389.882 3.231 20 0 GGADLM Cc1[nH]c(C(=O)CS(=O)(=O)Cc2ccc(C(C)(C)C)cc2)c(C)c1C(=O)[O-] ZINC001599947168 985547955 /nfs/dbraw/zinc/54/79/55/985547955.db2.gz CTCDOSXMVYKLEJ-UHFFFAOYSA-N -1 2 391.489 3.425 20 0 GGADLM CC(=C(O)c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)C[C@H](C)c1ccccc1 ZINC001599948760 985573412 /nfs/dbraw/zinc/57/34/12/985573412.db2.gz RVOBXFCMEONLSV-SMDDNHRTSA-N -1 2 377.462 3.119 20 0 GGADLM CCOc1ccc(S(=O)(=O)Nc2sc(C)cc2C(=O)[O-])cc1OCC ZINC001597137209 986874699 /nfs/dbraw/zinc/87/46/99/986874699.db2.gz CUNSZAJIBWGWAT-UHFFFAOYSA-N -1 2 385.463 3.353 20 0 GGADLM CCOc1ccc2nc(NS(=O)(=O)c3cccc(CC(=O)[O-])c3)sc2c1 ZINC001597143853 986902067 /nfs/dbraw/zinc/90/20/67/986902067.db2.gz LXCXKIMXHZNYDL-UHFFFAOYSA-N -1 2 392.458 3.123 20 0 GGADLM CCOc1cccc(S(=O)(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC001597163210 986971975 /nfs/dbraw/zinc/97/19/75/986971975.db2.gz BXAYXPCBWIMIOK-UHFFFAOYSA-N -1 2 384.479 3.338 20 0 GGADLM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)cc1 ZINC001589638660 987561520 /nfs/dbraw/zinc/56/15/20/987561520.db2.gz ROXCFIMLYJTJRD-UHFFFAOYSA-N -1 2 398.337 3.073 20 0 GGADLM CSc1c(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1F ZINC001599806014 988257177 /nfs/dbraw/zinc/25/71/77/988257177.db2.gz HYHMHMRNZRPQBM-UHFFFAOYSA-N -1 2 395.355 3.464 20 0 GGADLM CCc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3OC)sc2c1 ZINC001597570574 988346125 /nfs/dbraw/zinc/34/61/25/988346125.db2.gz QGESHIOOFATKPL-UHFFFAOYSA-N -1 2 392.458 3.366 20 0 GGADLM CCc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])c(OC)c3)sc2c1 ZINC001597570681 988349187 /nfs/dbraw/zinc/34/91/87/988349187.db2.gz XZZGVRZESLWHAO-UHFFFAOYSA-N -1 2 392.458 3.366 20 0 GGADLM CCc1nc(NS(=O)(=O)Cc2ccc(C(F)F)cc2)sc1C(=O)[O-] ZINC001597685418 988834423 /nfs/dbraw/zinc/83/44/23/988834423.db2.gz OXYGQRZKGNSHBE-UHFFFAOYSA-N -1 2 376.406 3.283 20 0 GGADLM CCc1ncsc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001597711831 988972297 /nfs/dbraw/zinc/97/22/97/988972297.db2.gz FJFIPXKBUKJOBO-UHFFFAOYSA-N -1 2 380.369 3.223 20 0 GGADLM CC(C)(C)c1cc2cccnc2c(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001590461693 990030370 /nfs/dbraw/zinc/03/03/70/990030370.db2.gz HMYFEUZXCTYJON-UHFFFAOYSA-N -1 2 385.445 3.426 20 0 GGADLM CC(C)(C)c1cnc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC001590515806 990130904 /nfs/dbraw/zinc/13/09/04/990130904.db2.gz JCOOPRBPJDDXEU-UHFFFAOYSA-N -1 2 376.406 3.218 20 0 GGADLM COc1ccsc1S(=O)(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599722601 991565960 /nfs/dbraw/zinc/56/59/60/991565960.db2.gz RQIPGSIRROVFBA-UHFFFAOYSA-N -1 2 388.492 3.370 20 0 GGADLM CC(C)CCc1cc(NS(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)[nH]n1 ZINC001591266532 992180563 /nfs/dbraw/zinc/18/05/63/992180563.db2.gz JNFKLPYQGREVJT-UHFFFAOYSA-N -1 2 379.482 3.161 20 0 GGADLM CC(C)CCn1nccc1NS(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001591275996 992196793 /nfs/dbraw/zinc/19/67/93/992196793.db2.gz AXBQBHWQFPGDJF-UHFFFAOYSA-N -1 2 379.482 3.092 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C1CC1 ZINC001591533215 992709088 /nfs/dbraw/zinc/70/90/88/992709088.db2.gz DBHGHEJQWZPIKV-UHFFFAOYSA-N -1 2 381.429 3.055 20 0 GGADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC001598537804 992861369 /nfs/dbraw/zinc/86/13/69/992861369.db2.gz ORSAWXFPEPDVEZ-UHFFFAOYSA-N -1 2 397.416 3.240 20 0 GGADLM COC(=O)/C=C\c1ccc(S(=O)(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC001598835022 996475838 /nfs/dbraw/zinc/47/58/38/996475838.db2.gz UBGRISCOSGVLNE-TWGQIWQCSA-N -1 2 395.458 3.050 20 0 GGADLM COc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1F ZINC001599392808 997070173 /nfs/dbraw/zinc/07/01/73/997070173.db2.gz IKFWCMNAXXEZRI-UHFFFAOYSA-N -1 2 391.779 3.434 20 0 GGADLM COCc1ccc(OC)c(S(=O)(=O)Nc2c(C)sc(C)c2C(=O)[O-])c1 ZINC001599295190 997128157 /nfs/dbraw/zinc/12/81/57/997128157.db2.gz KSGLJPZDZDWIFP-UHFFFAOYSA-N -1 2 385.463 3.019 20 0 GGADLM COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001599331861 997762560 /nfs/dbraw/zinc/76/25/60/997762560.db2.gz VPBXUJBVUNZRNF-UHFFFAOYSA-N -1 2 382.463 3.145 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1Br ZINC000015243632 221334167 /nfs/dbraw/zinc/33/41/67/221334167.db2.gz MYYCXXIESHRSNY-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c(F)c1 ZINC000078938543 222298917 /nfs/dbraw/zinc/29/89/17/222298917.db2.gz OWIXKPSGOKAXMB-UHFFFAOYSA-N -1 2 376.365 3.343 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(Br)c(F)c2)sc1C(=O)[O-] ZINC000115869768 564200249 /nfs/dbraw/zinc/20/02/49/564200249.db2.gz ZBEUBNPNJZEEIZ-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM Cc1sc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000122153955 564402084 /nfs/dbraw/zinc/40/20/84/564402084.db2.gz CUKXNQQRBXCPGF-UHFFFAOYSA-N -1 2 392.252 3.024 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2)c1 ZINC000032600180 564403026 /nfs/dbraw/zinc/40/30/26/564403026.db2.gz CKCSAGCFOJBZLM-UHFFFAOYSA-N -1 2 381.353 3.188 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)C(C)C)c2)sc1C(=O)[O-] ZINC000042794647 564450947 /nfs/dbraw/zinc/45/09/47/564450947.db2.gz BQABLHGZSDIGRW-UHFFFAOYSA-N -1 2 382.463 3.150 20 0 GGADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1sccc1Br ZINC000048441026 564540109 /nfs/dbraw/zinc/54/01/09/564540109.db2.gz XCPNLEVQKRRIKF-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(C#N)ccc2OC(C)C)sc1C(=O)[O-] ZINC000057122590 564660655 /nfs/dbraw/zinc/66/06/55/564660655.db2.gz KWOWMOYDOULQPL-UHFFFAOYSA-N -1 2 380.447 3.214 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(-c3csnn3)cc2)sc1C(=O)[O-] ZINC000057120214 564660706 /nfs/dbraw/zinc/66/07/06/564660706.db2.gz BDGCHXXUSSWFAC-UHFFFAOYSA-N -1 2 381.460 3.074 20 0 GGADLM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1ccc(Br)s1 ZINC000061564232 564707105 /nfs/dbraw/zinc/70/71/05/564707105.db2.gz DNSBKTYIFLYHDA-UHFFFAOYSA-N -1 2 398.206 3.288 20 0 GGADLM CC(C)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)cn1 ZINC000066813853 564775343 /nfs/dbraw/zinc/77/53/43/564775343.db2.gz CKKMOQLNLMHMTQ-UHFFFAOYSA-N -1 2 378.237 3.270 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cccc1OCC(F)(F)F ZINC000068094166 564808434 /nfs/dbraw/zinc/80/84/34/564808434.db2.gz KSNCPCNBXJKZTO-UHFFFAOYSA-N -1 2 395.380 3.497 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)sc1C(=O)[O-] ZINC000135357168 564828872 /nfs/dbraw/zinc/82/88/72/564828872.db2.gz MMJRXXPTUWUVKK-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1 ZINC000071081677 564855327 /nfs/dbraw/zinc/85/53/27/564855327.db2.gz BREPKYCKKGPVPM-UHFFFAOYSA-N -1 2 399.343 3.327 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000078789931 564864857 /nfs/dbraw/zinc/86/48/57/564864857.db2.gz YIUPFHBKKQULNV-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccsc2)c1F ZINC000091390640 564870653 /nfs/dbraw/zinc/87/06/53/564870653.db2.gz IEZIGTVDPIWMJZ-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c(OC)cc1Cl ZINC000149058207 564884837 /nfs/dbraw/zinc/88/48/37/564884837.db2.gz FAYAXMFPNFLTEE-UHFFFAOYSA-N -1 2 391.854 3.226 20 0 GGADLM COc1ccc(NS(=O)(=O)c2sccc2Br)c(C(=O)[O-])c1 ZINC000148548838 564885029 /nfs/dbraw/zinc/88/50/29/564885029.db2.gz QEKDSDCDIZIIQX-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)sc1Br ZINC000149468557 564885885 /nfs/dbraw/zinc/88/58/85/564885885.db2.gz DIGIPBZCRIMDCR-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM COc1ccc(NS(=O)(=O)c2ccc(Br)s2)c(C(=O)[O-])c1 ZINC000110302661 565038974 /nfs/dbraw/zinc/03/89/74/565038974.db2.gz PLRZEEMHDMDLHT-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2c(F)cccc2F)ccc1Br ZINC000157132048 565119609 /nfs/dbraw/zinc/11/96/09/565119609.db2.gz KJWXTAGKBXGVKG-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM Cc1nc(C)c(NS(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)s1 ZINC000268023335 565137998 /nfs/dbraw/zinc/13/79/98/565137998.db2.gz WLBBTXKFZWAPOM-UHFFFAOYSA-N -1 2 384.479 3.113 20 0 GGADLM CCn1nc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1C1CC1 ZINC000268941978 565172873 /nfs/dbraw/zinc/17/28/73/565172873.db2.gz GBYFGGNEJWIZSC-UHFFFAOYSA-N -1 2 387.820 3.072 20 0 GGADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000185570660 565208657 /nfs/dbraw/zinc/20/86/57/565208657.db2.gz LSJHTLCPNUXGSA-UHFFFAOYSA-N -1 2 377.315 3.272 20 0 GGADLM Cc1cc(Br)c(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)s1 ZINC000296204944 565306906 /nfs/dbraw/zinc/30/69/06/565306906.db2.gz WDJYRSBUHCTOLQ-SNVBAGLBSA-N -1 2 378.317 3.218 20 0 GGADLM COc1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)c(Br)c1O ZINC000273777854 565335504 /nfs/dbraw/zinc/33/55/04/565335504.db2.gz SEGQUECAYTZQIQ-UHFFFAOYSA-N -1 2 398.326 3.332 20 0 GGADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000187743021 565352488 /nfs/dbraw/zinc/35/24/88/565352488.db2.gz SHOUEJBPCWTZIW-JTQLQIEISA-N -1 2 383.857 3.315 20 0 GGADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000187743037 565352818 /nfs/dbraw/zinc/35/28/18/565352818.db2.gz SHOUEJBPCWTZIW-SNVBAGLBSA-N -1 2 383.857 3.315 20 0 GGADLM CCOc1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc(Br)c1O ZINC000297812204 565388036 /nfs/dbraw/zinc/38/80/36/565388036.db2.gz YCZZLZCVXMVJEY-UHFFFAOYSA-N -1 2 398.219 3.443 20 0 GGADLM Cc1ccc(F)c(-c2cc(NS(=O)(=O)c3csc(C(=O)[O-])c3)n[nH]2)c1 ZINC000188535888 565406397 /nfs/dbraw/zinc/40/63/97/565406397.db2.gz HXAGOKCXTWUWRF-UHFFFAOYSA-N -1 2 381.410 3.085 20 0 GGADLM CCCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000392289766 565564025 /nfs/dbraw/zinc/56/40/25/565564025.db2.gz NYGAHKRXVAXFEY-UHFFFAOYSA-N -1 2 386.857 3.449 20 0 GGADLM COc1ccc(OC(F)F)c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000393197291 565568530 /nfs/dbraw/zinc/56/85/30/565568530.db2.gz ZRUKIKKYEIIDAP-UHFFFAOYSA-N -1 2 393.389 3.166 20 0 GGADLM Cc1cc(Br)c(C(=O)[O-])cc1NS(=O)(=O)c1cccs1 ZINC000312712119 565582065 /nfs/dbraw/zinc/58/20/65/565582065.db2.gz GCMURESPSVNEQR-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Oc1cccc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1Br ZINC000315688024 565590541 /nfs/dbraw/zinc/59/05/41/565590541.db2.gz IPYXAIPYQZZXAQ-KRWDZBQOSA-N -1 2 391.309 3.145 20 0 GGADLM Oc1cccc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1Br ZINC000315688025 565590557 /nfs/dbraw/zinc/59/05/57/565590557.db2.gz IPYXAIPYQZZXAQ-QGZVFWFLSA-N -1 2 391.309 3.145 20 0 GGADLM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1O ZINC000323064705 565613108 /nfs/dbraw/zinc/61/31/08/565613108.db2.gz MYWMPMPAFJGTPK-UHFFFAOYSA-N -1 2 380.180 3.337 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c(F)c1 ZINC000327192004 565628353 /nfs/dbraw/zinc/62/83/53/565628353.db2.gz AZHRXYZSIXNJFB-UHFFFAOYSA-N -1 2 379.287 3.223 20 0 GGADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c(C(F)(F)F)c1 ZINC000327529167 565630400 /nfs/dbraw/zinc/63/04/00/565630400.db2.gz XGZNGZOYVOUKGK-UHFFFAOYSA-N -1 2 379.312 3.114 20 0 GGADLM Cc1ccc(-n2cc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cn2)c(C)c1 ZINC000191897974 565641152 /nfs/dbraw/zinc/64/11/52/565641152.db2.gz ZDWNJVMGNZACSP-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cccc(Br)c2F)ccc1C(=O)[O-] ZINC000410375051 565680511 /nfs/dbraw/zinc/68/05/11/565680511.db2.gz WBMZRLLLUIVZBR-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1ccccc1NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000193041159 565727805 /nfs/dbraw/zinc/72/78/05/565727805.db2.gz FOUVGLUQIZIDRX-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc(F)c2)c1F ZINC000193041029 565728065 /nfs/dbraw/zinc/72/80/65/565728065.db2.gz QGVINWZSYMZBIG-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1C1CCCC1 ZINC000194222236 565802528 /nfs/dbraw/zinc/80/25/28/565802528.db2.gz WZDFXJXXWMMTAP-UHFFFAOYSA-N -1 2 383.857 3.459 20 0 GGADLM Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000194223304 565802999 /nfs/dbraw/zinc/80/29/99/565802999.db2.gz PMXWYXRUOSGFIY-UHFFFAOYSA-N -1 2 383.857 3.459 20 0 GGADLM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000177028832 565824236 /nfs/dbraw/zinc/82/42/36/565824236.db2.gz LXFITWJQKCVFMK-UHFFFAOYSA-N -1 2 384.244 3.269 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2sccc2Br)cc1F ZINC000229620142 565927451 /nfs/dbraw/zinc/92/74/51/565927451.db2.gz CIIBWUBBKVBQTA-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM Cc1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)s1 ZINC000179024381 565952891 /nfs/dbraw/zinc/95/28/91/565952891.db2.gz NKNCSOHBCHKOPL-UHFFFAOYSA-N -1 2 380.369 3.278 20 0 GGADLM Cn1nc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1C1CC1 ZINC000290568729 566179712 /nfs/dbraw/zinc/17/97/12/566179712.db2.gz TXLNXYQNAALCPT-UHFFFAOYSA-N -1 2 390.248 3.103 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c[nH]1 ZINC000509663317 566326285 /nfs/dbraw/zinc/32/62/85/566326285.db2.gz GTJMSVKXYSCGCA-UHFFFAOYSA-N -1 2 398.746 3.108 20 0 GGADLM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 ZINC000446617234 566357337 /nfs/dbraw/zinc/35/73/37/566357337.db2.gz KDMVNXQKIHJEGP-UHFFFAOYSA-N -1 2 385.511 3.496 20 0 GGADLM COc1cc(S(=O)(=O)Nc2cccc(Cl)c2O)c(Cl)cc1C(=O)[O-] ZINC000576742793 566374322 /nfs/dbraw/zinc/37/43/22/566374322.db2.gz FOOLDXRJKZSRJL-UHFFFAOYSA-N -1 2 392.216 3.207 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000649654220 566382413 /nfs/dbraw/zinc/38/24/13/566382413.db2.gz PEYZYBZKBRJBBY-UHFFFAOYSA-N -1 2 383.495 3.337 20 0 GGADLM Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CC1 ZINC000510461536 566385112 /nfs/dbraw/zinc/38/51/12/566385112.db2.gz PWBYLDODEXIJCB-GFCCVEGCSA-N -1 2 378.256 3.296 20 0 GGADLM CO[C@@H]1CCOc2c(NS(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cccc21 ZINC000447777191 566427939 /nfs/dbraw/zinc/42/79/39/566427939.db2.gz FEFJGJXNDFAVFO-GFCCVEGCSA-N -1 2 383.447 3.026 20 0 GGADLM COc1cc(OC)c(NS(=O)(=O)c2cccc(C)c2Cl)c(C(=O)[O-])c1 ZINC000537196587 566430247 /nfs/dbraw/zinc/43/02/47/566430247.db2.gz ZLZCDKNDKIXBQS-UHFFFAOYSA-N -1 2 385.825 3.165 20 0 GGADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1C(F)(F)F ZINC000447789392 566430382 /nfs/dbraw/zinc/43/03/82/566430382.db2.gz SAPPYGCBZXTZMW-UHFFFAOYSA-N -1 2 381.353 3.275 20 0 GGADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c2ncccc12 ZINC000463785199 566433725 /nfs/dbraw/zinc/43/37/25/566433725.db2.gz HIHTVVVSLFVRBR-UHFFFAOYSA-N -1 2 378.431 3.194 20 0 GGADLM CC(C)n1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000485029166 566470765 /nfs/dbraw/zinc/47/07/65/566470765.db2.gz DTKFUSAVVMBEDW-UHFFFAOYSA-N -1 2 378.237 3.270 20 0 GGADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000558475259 566478892 /nfs/dbraw/zinc/47/88/92/566478892.db2.gz KXJWHDUYQBULDT-UHFFFAOYSA-N -1 2 378.303 3.047 20 0 GGADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000485290360 566487693 /nfs/dbraw/zinc/48/76/93/566487693.db2.gz LJZSODFFDBMGJI-UHFFFAOYSA-N -1 2 379.287 3.223 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)ccc1F ZINC000485388126 566493418 /nfs/dbraw/zinc/49/34/18/566493418.db2.gz ZXWHBSCLVWOLKH-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM COc1ccsc1S(=O)(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000512790437 566557550 /nfs/dbraw/zinc/55/75/50/566557550.db2.gz MPMNAMBYZUWMFQ-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM Cc1nc(C)c(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)s1 ZINC000512790429 566557628 /nfs/dbraw/zinc/55/76/28/566557628.db2.gz MMQGMWONPRPMIP-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM CCCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)s1 ZINC000486130525 566560582 /nfs/dbraw/zinc/56/05/82/566560582.db2.gz SRZAOTMSCXNYLV-UHFFFAOYSA-N -1 2 380.491 3.392 20 0 GGADLM Cc1nc2ccc(NS(=O)(=O)c3ccc(Cl)c(F)c3Cl)cn2n1 ZINC000559963464 566579870 /nfs/dbraw/zinc/57/98/70/566579870.db2.gz QABOJUAKJUIXRT-UHFFFAOYSA-N -1 2 375.212 3.284 20 0 GGADLM COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)cc1C(F)(F)F ZINC000559964647 566580223 /nfs/dbraw/zinc/58/02/23/566580223.db2.gz FSOBSVFSQIUKAI-UHFFFAOYSA-N -1 2 394.396 3.366 20 0 GGADLM Cc1c(Br)cc(NS(=O)(=O)c2cccs2)cc1C(=O)[O-] ZINC000560014027 566584729 /nfs/dbraw/zinc/58/47/29/566584729.db2.gz WABNNUVWBDFANE-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(-c3cccc(Cl)c3)n[nH]2)c1 ZINC000674755358 566606754 /nfs/dbraw/zinc/60/67/54/566606754.db2.gz PDEOTJLKZWWRBD-UHFFFAOYSA-N -1 2 377.809 3.229 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000674755358 566606760 /nfs/dbraw/zinc/60/67/60/566606760.db2.gz PDEOTJLKZWWRBD-UHFFFAOYSA-N -1 2 377.809 3.229 20 0 GGADLM COCCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1Oc1ccc(Cl)cc1 ZINC000606342749 566627774 /nfs/dbraw/zinc/62/77/74/566627774.db2.gz DRKGFDZHOQHMAP-UHFFFAOYSA-N -1 2 385.825 3.219 20 0 GGADLM CCn1cnc(S(=O)(=O)Nc2cc(-c3ccccc3)sc2C(=O)[O-])c1 ZINC000540337982 566647069 /nfs/dbraw/zinc/64/70/69/566647069.db2.gz NOLXKSDOJZCMIN-UHFFFAOYSA-N -1 2 377.447 3.131 20 0 GGADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cccc(C)c2Cl)c1OC ZINC000540496047 566654504 /nfs/dbraw/zinc/65/45/04/566654504.db2.gz JFSDHUMSPXFHPG-UHFFFAOYSA-N -1 2 385.825 3.165 20 0 GGADLM COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1Cl ZINC000467755978 566662872 /nfs/dbraw/zinc/66/28/72/566662872.db2.gz UBBHMJANJXMVPN-UHFFFAOYSA-N -1 2 392.216 3.207 20 0 GGADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000607614732 566676103 /nfs/dbraw/zinc/67/61/03/566676103.db2.gz LZUTVBXZEPIMQD-UHFFFAOYSA-N -1 2 395.742 3.265 20 0 GGADLM Cn1nc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cc1C1CC1 ZINC000580493325 566697647 /nfs/dbraw/zinc/69/76/47/566697647.db2.gz DVTYMRVKXKTVHR-UHFFFAOYSA-N -1 2 383.495 3.156 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1 ZINC000608343439 566713777 /nfs/dbraw/zinc/71/37/77/566713777.db2.gz WIXUJIFFCAONON-UHFFFAOYSA-N -1 2 397.865 3.145 20 0 GGADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000488328801 566720983 /nfs/dbraw/zinc/72/09/83/566720983.db2.gz GFGGYTHHVVKTLE-JTQLQIEISA-N -1 2 383.857 3.315 20 0 GGADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1CC(C)C ZINC000677417423 566744688 /nfs/dbraw/zinc/74/46/88/566744688.db2.gz CZADZWWGMZIYDX-UHFFFAOYSA-N -1 2 385.873 3.254 20 0 GGADLM O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000541799176 566748558 /nfs/dbraw/zinc/74/85/58/566748558.db2.gz PLVTZWNFCLZLOT-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC2CCCC2)c[nH]1 ZINC000488975900 566761479 /nfs/dbraw/zinc/76/14/79/566761479.db2.gz JREHLBYKYDIHTJ-UHFFFAOYSA-N -1 2 384.841 3.489 20 0 GGADLM COC(=O)c1cc(C(C)C)ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000489032685 566764923 /nfs/dbraw/zinc/76/49/23/566764923.db2.gz FHEPGEODTCPVAW-UHFFFAOYSA-N -1 2 383.447 3.157 20 0 GGADLM COC(=O)C1(CS(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)CCCCC1 ZINC000427351805 566769534 /nfs/dbraw/zinc/76/95/34/566769534.db2.gz HVIKLTWPEFFVBI-UHFFFAOYSA-N -1 2 379.837 3.050 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc1 ZINC000489406505 566786926 /nfs/dbraw/zinc/78/69/26/566786926.db2.gz JMAATDVUOMEBHH-UHFFFAOYSA-N -1 2 379.287 3.223 20 0 GGADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)n[nH]2)s1 ZINC000489573392 566795850 /nfs/dbraw/zinc/79/58/50/566795850.db2.gz PBOQUVSCOPUVPM-UHFFFAOYSA-N -1 2 381.410 3.085 20 0 GGADLM O=C([O-])c1ccc(OC(F)(F)F)c(NS(=O)(=O)c2ccccc2F)c1 ZINC000471967660 566990231 /nfs/dbraw/zinc/99/02/31/566990231.db2.gz CLAPURYKOUTKGB-UHFFFAOYSA-N -1 2 379.287 3.223 20 0 GGADLM Cc1ccsc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000471962139 566990850 /nfs/dbraw/zinc/99/08/50/566990850.db2.gz ADUJAAJTPWXZRV-UHFFFAOYSA-N -1 2 381.353 3.454 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC(F)(F)F)c(C)o1 ZINC000471978712 566992493 /nfs/dbraw/zinc/99/24/93/566992493.db2.gz LNYNOWHDMXGSQH-UHFFFAOYSA-N -1 2 379.312 3.294 20 0 GGADLM C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Br)o2)C1 ZINC000546093463 567104937 /nfs/dbraw/zinc/10/49/37/567104937.db2.gz CVTMKCHXWJFZKO-OCCSQVGLSA-N -1 2 399.310 3.156 20 0 GGADLM Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)c2)n1 ZINC000614793118 567140145 /nfs/dbraw/zinc/14/01/45/567140145.db2.gz HXSXNJURIZAOMX-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM COc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1OC(C)C ZINC000546885229 567168272 /nfs/dbraw/zinc/16/82/72/567168272.db2.gz AVOIURNJZUXWHD-UHFFFAOYSA-N -1 2 385.463 3.351 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccccc2OCC(F)F)sc1C(=O)[O-] ZINC000474393209 567168769 /nfs/dbraw/zinc/16/87/69/567168769.db2.gz YCPASQUXGBTCJP-UHFFFAOYSA-N -1 2 377.390 3.199 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000547241543 567193346 /nfs/dbraw/zinc/19/33/46/567193346.db2.gz PWZVCKLANBDYLV-UHFFFAOYSA-N -1 2 381.740 3.342 20 0 GGADLM CC1(C(=O)[O-])CCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000659782385 567225750 /nfs/dbraw/zinc/22/57/50/567225750.db2.gz SQEZDHYITSRALE-UHFFFAOYSA-N -1 2 376.634 3.135 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cs1 ZINC000525238406 567237178 /nfs/dbraw/zinc/23/71/78/567237178.db2.gz PPOBKIXRAXKRLI-UHFFFAOYSA-N -1 2 397.865 3.145 20 0 GGADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000547871120 567253293 /nfs/dbraw/zinc/25/32/93/567253293.db2.gz DKNSEAZFDWNUJC-UHFFFAOYSA-N -1 2 378.303 3.047 20 0 GGADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(F)c(C)cc1F ZINC000475738389 567271197 /nfs/dbraw/zinc/27/11/97/567271197.db2.gz JSGVDJDBKLBAPR-UHFFFAOYSA-N -1 2 391.779 3.434 20 0 GGADLM Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000685902563 567309231 /nfs/dbraw/zinc/30/92/31/567309231.db2.gz OEWAJBHAWUHFQP-UHFFFAOYSA-N -1 2 378.303 3.047 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000500323912 567313723 /nfs/dbraw/zinc/31/37/23/567313723.db2.gz FCVJEUNRGNLYSK-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000548540431 567324980 /nfs/dbraw/zinc/32/49/80/567324980.db2.gz NBXJCHJATJIDNF-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM Cc1nc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000568581112 567340559 /nfs/dbraw/zinc/34/05/59/567340559.db2.gz KJQSUBYUMILKRB-UHFFFAOYSA-N -1 2 380.369 3.278 20 0 GGADLM CCn1cc(S(=O)(=O)Nc2cc(-c3ccccc3)sc2C(=O)[O-])cn1 ZINC000501267233 567376239 /nfs/dbraw/zinc/37/62/39/567376239.db2.gz SIYYKTQNIZRYMY-UHFFFAOYSA-N -1 2 377.447 3.131 20 0 GGADLM COC(=O)c1csc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)c1 ZINC000501791605 567405960 /nfs/dbraw/zinc/40/59/60/567405960.db2.gz GCIWBFNRIIOFAH-UHFFFAOYSA-N -1 2 383.447 3.157 20 0 GGADLM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1ccc(Br)cc1O ZINC000436484677 567427931 /nfs/dbraw/zinc/42/79/31/567427931.db2.gz NISQEHVSVBCLFO-UHFFFAOYSA-N -1 2 390.262 3.271 20 0 GGADLM CCC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000436608824 567438921 /nfs/dbraw/zinc/43/89/21/567438921.db2.gz QFLRMKHNPBFSJD-UHFFFAOYSA-N -1 2 383.809 3.137 20 0 GGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)c1 ZINC000436959109 567470950 /nfs/dbraw/zinc/47/09/50/567470950.db2.gz FRJZHZSXHMDPDR-UHFFFAOYSA-N -1 2 393.751 3.146 20 0 GGADLM CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cn1 ZINC000478688825 567475605 /nfs/dbraw/zinc/47/56/05/567475605.db2.gz RDHUOZWHIHMQBB-SECBINFHSA-N -1 2 383.857 3.451 20 0 GGADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cccnc2OC(C)C)cc1C(=O)[O-] ZINC000479230717 567516115 /nfs/dbraw/zinc/51/61/15/567516115.db2.gz FYWJQXSUHQCCAJ-UHFFFAOYSA-N -1 2 384.841 3.330 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000479536957 567543657 /nfs/dbraw/zinc/54/36/57/567543657.db2.gz ATNTVTHOKCHWGM-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)c(F)c1 ZINC000438760933 567543732 /nfs/dbraw/zinc/54/37/32/567543732.db2.gz YZPFAOOECRIUDK-UHFFFAOYSA-N -1 2 379.287 3.049 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)sc1Cl ZINC000504681298 567544230 /nfs/dbraw/zinc/54/42/30/567544230.db2.gz WEWFATZYKCHGFR-UHFFFAOYSA-N -1 2 375.855 3.364 20 0 GGADLM COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000480218628 567590350 /nfs/dbraw/zinc/59/03/50/567590350.db2.gz ZYTZSKQIELVMPC-UHFFFAOYSA-N -1 2 392.216 3.207 20 0 GGADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000439570643 567593253 /nfs/dbraw/zinc/59/32/53/567593253.db2.gz MCFZUIMXSYPHCD-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(C)c(F)cc1F ZINC000440292246 567621859 /nfs/dbraw/zinc/62/18/59/567621859.db2.gz PJYLJAKSKRCETL-UHFFFAOYSA-N -1 2 391.779 3.434 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2OCC(F)(F)F)cs1 ZINC000531207845 567646765 /nfs/dbraw/zinc/64/67/65/567646765.db2.gz XVJJAADMMFMICP-UHFFFAOYSA-N -1 2 399.343 3.327 20 0 GGADLM COC(=O)c1csc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1 ZINC000531600507 567669000 /nfs/dbraw/zinc/66/90/00/567669000.db2.gz WKUZRUMYRTXEOU-UHFFFAOYSA-N -1 2 383.447 3.157 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000531752814 567677393 /nfs/dbraw/zinc/67/73/93/567677393.db2.gz BBMRNIJAYVWRTC-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1SCCC(=O)[O-] ZINC000460451191 567689427 /nfs/dbraw/zinc/68/94/27/567689427.db2.gz TVXKLMRYMUZKSF-UHFFFAOYSA-N -1 2 381.475 3.371 20 0 GGADLM Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3O)s2)cs1 ZINC000481589110 567690358 /nfs/dbraw/zinc/69/03/58/567690358.db2.gz QXRYTOMDOMYCAK-UHFFFAOYSA-N -1 2 396.471 3.385 20 0 GGADLM CCc1ncc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)s1 ZINC000460780533 567702261 /nfs/dbraw/zinc/70/22/61/567702261.db2.gz WZEXXBNYFUXGSC-UHFFFAOYSA-N -1 2 380.369 3.223 20 0 GGADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000462107211 567773569 /nfs/dbraw/zinc/77/35/69/567773569.db2.gz YMJCICIXHOROTM-UHFFFAOYSA-N -1 2 388.214 3.016 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)cc1Cl ZINC000444424559 567805782 /nfs/dbraw/zinc/80/57/82/567805782.db2.gz WUHUUHCSLOPMDG-UHFFFAOYSA-N -1 2 383.838 3.291 20 0 GGADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000534401487 567809968 /nfs/dbraw/zinc/80/99/68/567809968.db2.gz XRCBNSCIJGZVGU-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)n1 ZINC000048354253 570241385 /nfs/dbraw/zinc/24/13/85/570241385.db2.gz DSPUHSQPLBJTIR-UHFFFAOYSA-N -1 2 391.474 3.358 20 0 GGADLM COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000170613976 570871456 /nfs/dbraw/zinc/87/14/56/570871456.db2.gz WDNMFLWPCVWGSC-UHFFFAOYSA-N -1 2 392.820 3.396 20 0 GGADLM COc1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1-c1nn[nH]n1 ZINC000821804572 599422170 /nfs/dbraw/zinc/42/21/70/599422170.db2.gz NWSPXNPEKWUZCG-KRWDZBQOSA-N -1 2 378.461 3.211 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(OCc3ccncc3)cc2)s1 ZINC000740187726 599851583 /nfs/dbraw/zinc/85/15/83/599851583.db2.gz RCYVCOQWPYVQKJ-UHFFFAOYSA-N -1 2 390.442 3.221 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccnc1OCc1ccccc1 ZINC000675094136 599852028 /nfs/dbraw/zinc/85/20/28/599852028.db2.gz OFFLEUNTCBZRFP-UHFFFAOYSA-N -1 2 398.440 3.468 20 0 GGADLM Cc1ccc(-c2nsc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])n2)s1 ZINC000738495805 599865067 /nfs/dbraw/zinc/86/50/67/599865067.db2.gz ZLXJLVWKAPXJDW-UHFFFAOYSA-N -1 2 399.450 3.213 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(SC(=O)N(C)C)cc2)c1C(=O)[O-] ZINC000738968871 599924392 /nfs/dbraw/zinc/92/43/92/599924392.db2.gz FQPRWTDOKCIRDI-UHFFFAOYSA-N -1 2 398.462 3.169 20 0 GGADLM O=C([O-])COc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000739823496 599924477 /nfs/dbraw/zinc/92/44/77/599924477.db2.gz HUTKKOCESWUUHT-UHFFFAOYSA-N -1 2 393.314 3.109 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(OCc3cccnc3)cc2)s1 ZINC000740188057 599926951 /nfs/dbraw/zinc/92/69/51/599926951.db2.gz ZZMOQIKBTWXJIM-UHFFFAOYSA-N -1 2 390.442 3.221 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1OCC(F)F ZINC000738632754 599927248 /nfs/dbraw/zinc/92/72/48/599927248.db2.gz KFYOIKMFCCQSRC-UHFFFAOYSA-N -1 2 377.390 3.199 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)n(-c2ccc(F)cc2)n1 ZINC000738463442 599966923 /nfs/dbraw/zinc/96/69/23/599966923.db2.gz DFHLFTWFDDJGDE-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC000736991049 600004963 /nfs/dbraw/zinc/00/49/63/600004963.db2.gz DWTVFZLFMOIZDM-UHFFFAOYSA-N -1 2 396.490 3.119 20 0 GGADLM COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000517569736 600051054 /nfs/dbraw/zinc/05/10/54/600051054.db2.gz XOUBXSACETWCCK-UHFFFAOYSA-N -1 2 391.426 3.187 20 0 GGADLM CCOc1ccc2nc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)sc2c1 ZINC000391784346 600051706 /nfs/dbraw/zinc/05/17/06/600051706.db2.gz HZLWIOGQFJNPEH-UHFFFAOYSA-N -1 2 384.460 3.256 20 0 GGADLM O=C([O-])COc1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000326765464 600051812 /nfs/dbraw/zinc/05/18/12/600051812.db2.gz PKYDFVUAZFJSAP-UHFFFAOYSA-N -1 2 398.849 3.214 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000738546113 600052130 /nfs/dbraw/zinc/05/21/30/600052130.db2.gz GBYXUXMZNYASDW-UHFFFAOYSA-N -1 2 394.474 3.106 20 0 GGADLM O=C([O-])Cc1csc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000738632346 600054235 /nfs/dbraw/zinc/05/42/35/600054235.db2.gz CUSNXVYOVGEWMR-UHFFFAOYSA-N -1 2 386.454 3.142 20 0 GGADLM Cc1nc(NS(=O)(=O)c2ccc(C)cc2Br)sc1C(=O)[O-] ZINC000738295495 600054467 /nfs/dbraw/zinc/05/44/67/600054467.db2.gz OCQGPYOEZOZJNC-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000013301779 600054748 /nfs/dbraw/zinc/05/47/48/600054748.db2.gz PLSGRYOWYWFZTJ-UHFFFAOYSA-N -1 2 398.462 3.434 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2nc(COc3ccccc3)cs2)c1 ZINC000740271741 600054774 /nfs/dbraw/zinc/05/47/74/600054774.db2.gz OXHSBQXDAPNKCZ-UHFFFAOYSA-N -1 2 396.471 3.283 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])n(Cc2ccccc2)n1 ZINC000738463785 600054987 /nfs/dbraw/zinc/05/49/87/600054987.db2.gz MJUMLFYZDJXDMO-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM O=C([O-])COc1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cc1 ZINC000739826836 600055303 /nfs/dbraw/zinc/05/53/03/600055303.db2.gz VSCVOKWPZZUBTL-UHFFFAOYSA-N -1 2 398.849 3.214 20 0 GGADLM Cc1ccc(Cn2nccc2NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000738604834 600055414 /nfs/dbraw/zinc/05/54/14/600055414.db2.gz OBYBLFXQZSSQSH-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM CC(C)(C)c1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n(C(C)(C)C)n1 ZINC000736293794 600055504 /nfs/dbraw/zinc/05/55/04/600055504.db2.gz GKXTUPOZSHBAIR-UHFFFAOYSA-N -1 2 379.482 3.435 20 0 GGADLM CC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2C1 ZINC000736936898 600055561 /nfs/dbraw/zinc/05/55/61/600055561.db2.gz CQFWHDILANRSTF-SECBINFHSA-N -1 2 384.454 3.296 20 0 GGADLM CC[C@H]1CCc2nc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2C1 ZINC000736936900 600055699 /nfs/dbraw/zinc/05/56/99/600055699.db2.gz CQFWHDILANRSTF-VIFPVBQESA-N -1 2 384.454 3.296 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(-c2ccccc2F)n1 ZINC000738462764 600055991 /nfs/dbraw/zinc/05/59/91/600055991.db2.gz XJHPMWRWUSDRFC-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1 ZINC000740271417 600056209 /nfs/dbraw/zinc/05/62/09/600056209.db2.gz KLKDUJYUMJQIRV-UHFFFAOYSA-N -1 2 380.472 3.294 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1 ZINC000740145010 600056246 /nfs/dbraw/zinc/05/62/46/600056246.db2.gz SSKIIODVRHYWNS-UHFFFAOYSA-N -1 2 392.433 3.372 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)c1C(=O)[O-] ZINC000738969224 600057499 /nfs/dbraw/zinc/05/74/99/600057499.db2.gz JWRQMNADGXUJCD-UHFFFAOYSA-N -1 2 395.824 3.235 20 0 GGADLM CCOc1cc2c(cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])O[C@H](C)C2 ZINC000737192770 600094256 /nfs/dbraw/zinc/09/42/56/600094256.db2.gz ABGHHPYIZPAAIK-SNVBAGLBSA-N -1 2 395.408 3.047 20 0 GGADLM CCCN1Cc2cccc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])c2C1 ZINC000737029891 600100195 /nfs/dbraw/zinc/10/01/95/600100195.db2.gz GCJFITKKMKARDV-UHFFFAOYSA-N -1 2 378.450 3.121 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)c(C)s1 ZINC000738346196 600102293 /nfs/dbraw/zinc/10/22/93/600102293.db2.gz OIGUOWFTYCXFPV-UHFFFAOYSA-N -1 2 383.476 3.177 20 0 GGADLM O=C([O-])c1ccc(N2CCCC2)c(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000740146993 600104370 /nfs/dbraw/zinc/10/43/70/600104370.db2.gz XSXXBPIBAFHWAG-UHFFFAOYSA-N -1 2 382.388 3.064 20 0 GGADLM O=C([O-])c1ccc(N2CCCC2)c(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000740143668 600104389 /nfs/dbraw/zinc/10/43/89/600104389.db2.gz JZSRWTKIVNXFLE-UHFFFAOYSA-N -1 2 382.388 3.064 20 0 GGADLM O=C([O-])[C@H](CNC(=O)c1c(O)cc(F)cc1F)Cc1cccc2ccccc21 ZINC000739401337 600181350 /nfs/dbraw/zinc/18/13/50/600181350.db2.gz AFRJBCQZZRZQTF-AWEZNQCLSA-N -1 2 385.366 3.497 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Br)c2)c(F)cc1F ZINC000740089307 600229870 /nfs/dbraw/zinc/22/98/70/600229870.db2.gz DMQBSKYNOKZWJJ-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM Cc1nc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc2s1 ZINC000738875017 600229938 /nfs/dbraw/zinc/22/99/38/600229938.db2.gz QLLHBLPJNDQHPN-UHFFFAOYSA-N -1 2 384.385 3.382 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c(F)cc1F ZINC000740090125 600234398 /nfs/dbraw/zinc/23/43/98/600234398.db2.gz SVRVPKOIBAZBNZ-UHFFFAOYSA-N -1 2 380.328 3.119 20 0 GGADLM CCCN1Cc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)c2C1 ZINC000737031087 600234833 /nfs/dbraw/zinc/23/48/33/600234833.db2.gz XZMDFJCXMXCGBD-UHFFFAOYSA-N -1 2 396.415 3.189 20 0 GGADLM CC(C)n1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc2n1 ZINC000736533158 600244579 /nfs/dbraw/zinc/24/45/79/600244579.db2.gz SVRYZHWEBPHCCE-UHFFFAOYSA-N -1 2 377.397 3.255 20 0 GGADLM CSc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])nc1 ZINC000738212664 600247245 /nfs/dbraw/zinc/24/72/45/600247245.db2.gz NOEONZFUDFTFSG-UHFFFAOYSA-N -1 2 392.380 3.321 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cnc1Cl ZINC000738477343 600299407 /nfs/dbraw/zinc/29/94/07/600299407.db2.gz WKZJRABBDMABDR-UHFFFAOYSA-N -1 2 392.767 3.144 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1OC1CCOCC1 ZINC000738463266 600396384 /nfs/dbraw/zinc/39/63/84/600396384.db2.gz IQBLIPYMLOVROV-UHFFFAOYSA-N -1 2 397.474 3.113 20 0 GGADLM CC(=C(O)c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1c(C)cccc1C ZINC000738695195 600470515 /nfs/dbraw/zinc/47/05/15/600470515.db2.gz KJYCTYXEMQLLRN-CQSZACIVSA-N -1 2 377.462 3.133 20 0 GGADLM O=C([O-])CCOc1ccc(S(=O)(=O)Nc2nc3ccsc3s2)cc1 ZINC000739742925 600473250 /nfs/dbraw/zinc/47/32/50/600473250.db2.gz NTRRHJJYLMEDTB-UHFFFAOYSA-N -1 2 384.460 3.012 20 0 GGADLM O=C([O-])c1ccncc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000324945917 600513843 /nfs/dbraw/zinc/51/38/43/600513843.db2.gz SCYKSRCOROJSSG-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM CCc1cccc(CC)c1NS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC000737267966 600545915 /nfs/dbraw/zinc/54/59/15/600545915.db2.gz VQMVVKYPIUMTLX-UHFFFAOYSA-N -1 2 397.474 3.159 20 0 GGADLM O=C([O-])c1ccnc(NS(=O)(=O)c2ccc(SC(F)(F)F)cc2)c1 ZINC000740249227 600576979 /nfs/dbraw/zinc/57/69/79/600576979.db2.gz RUBFFJBOOZFETC-UHFFFAOYSA-N -1 2 378.353 3.193 20 0 GGADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cccnc2Oc2ccccc2)cc1 ZINC000673983242 600627048 /nfs/dbraw/zinc/62/70/48/600627048.db2.gz YURJYINFIBKIOC-UHFFFAOYSA-N -1 2 384.413 3.302 20 0 GGADLM O=C([O-])c1cc(Cl)cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000740076479 600638301 /nfs/dbraw/zinc/63/83/01/600638301.db2.gz ZPNSVYOMZWXWDJ-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1C(=O)[O-] ZINC000326655772 600658727 /nfs/dbraw/zinc/65/87/27/600658727.db2.gz CHURFFMFBLHTRT-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM CC1CCN(c2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])s3)c2)CC1 ZINC000736803044 600658912 /nfs/dbraw/zinc/65/89/12/600658912.db2.gz RWTMEZFXFYPMQT-UHFFFAOYSA-N -1 2 380.491 3.483 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3s2)cc1C(=O)[O-] ZINC000326694008 600658953 /nfs/dbraw/zinc/65/89/53/600658953.db2.gz SFAIVUJKGOPEAD-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000516238088 600677431 /nfs/dbraw/zinc/67/74/31/600677431.db2.gz GEBQEAAEIYWLEZ-LBPRGKRZSA-N -1 2 397.474 3.113 20 0 GGADLM Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000832936102 600815626 /nfs/dbraw/zinc/81/56/26/600815626.db2.gz XXORTHLBPCGQIK-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000832900024 600827881 /nfs/dbraw/zinc/82/78/81/600827881.db2.gz XYMOERPWWPWDOA-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cn1cc(S(=O)(=O)Nc2nc(/C=C/c3ccccc3)cs2)cc1C(=O)[O-] ZINC000833055263 600830438 /nfs/dbraw/zinc/83/04/38/600830438.db2.gz FIGLHXSLHSZRIX-BQYQJAHWSA-N -1 2 389.458 3.151 20 0 GGADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c1 ZINC000740075673 600889034 /nfs/dbraw/zinc/88/90/34/600889034.db2.gz MMWYXCCMDRHIFP-UHFFFAOYSA-N -1 2 389.820 3.296 20 0 GGADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c1 ZINC000740075267 600891194 /nfs/dbraw/zinc/89/11/94/600891194.db2.gz GXQLVXFNDIRIPO-UHFFFAOYSA-N -1 2 391.836 3.084 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)c1 ZINC000174049138 600896014 /nfs/dbraw/zinc/89/60/14/600896014.db2.gz SAMBXLYMGFIUHM-UHFFFAOYSA-N -1 2 377.315 3.430 20 0 GGADLM CCOc1ccc2nc(NS(=O)(=O)c3csc(C(=O)[O-])c3)sc2c1 ZINC000391665127 600974329 /nfs/dbraw/zinc/97/43/29/600974329.db2.gz KTQDZSHNPSYMRF-UHFFFAOYSA-N -1 2 384.460 3.256 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)cs1 ZINC000833306478 600976301 /nfs/dbraw/zinc/97/63/01/600976301.db2.gz XAVZARWWHBBIAV-UHFFFAOYSA-N -1 2 394.377 3.274 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3c(cccc3C(F)(F)F)s2)c[nH]1 ZINC000833306073 600977417 /nfs/dbraw/zinc/97/74/17/600977417.db2.gz BIQDDMKCORLPTL-UHFFFAOYSA-N -1 2 391.352 3.142 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)c[nH]1 ZINC000833306467 600978341 /nfs/dbraw/zinc/97/83/41/600978341.db2.gz WFUZXCVUPSVDSM-UHFFFAOYSA-N -1 2 392.245 3.430 20 0 GGADLM Cc1ccccc1-n1nccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000832976197 600982876 /nfs/dbraw/zinc/98/28/76/600982876.db2.gz IGYPMKIIYQULAV-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(/C=C/c3ccccc3)cs2)c[nH]1 ZINC000833306424 600983229 /nfs/dbraw/zinc/98/32/29/600983229.db2.gz RQBNBVVTORQPLI-VOTSOKGWSA-N -1 2 375.431 3.141 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000832853349 600988373 /nfs/dbraw/zinc/98/83/73/600988373.db2.gz XCRGQOKIPJLHAB-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2ccnn2-c2ccccc2)c1 ZINC000833296851 600988681 /nfs/dbraw/zinc/98/86/81/600988681.db2.gz AIDSPWBPDWVVGL-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000832904734 600988826 /nfs/dbraw/zinc/98/88/26/600988826.db2.gz ZSHLFXSWRRCSBE-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])n(C)n1 ZINC000832973401 600994870 /nfs/dbraw/zinc/99/48/70/600994870.db2.gz AKRHYDCSQGRZKU-UHFFFAOYSA-N -1 2 385.445 3.203 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)nn2C)cc1C(=O)[O-] ZINC000832956052 600995015 /nfs/dbraw/zinc/99/50/15/600995015.db2.gz XXAKJPRUASSASO-UHFFFAOYSA-N -1 2 385.445 3.203 20 0 GGADLM Cc1c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000460430111 601045446 /nfs/dbraw/zinc/04/54/46/601045446.db2.gz SVEJNQKDMVJCLN-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccccc2CC(F)(F)F)c1 ZINC000740144296 601050818 /nfs/dbraw/zinc/05/08/18/601050818.db2.gz OBPADGUVZFHUKN-UHFFFAOYSA-N -1 2 377.315 3.430 20 0 GGADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1nc2c(cc(C)cc2C)s1 ZINC000831949974 601200873 /nfs/dbraw/zinc/20/08/73/601200873.db2.gz JRBXVVFASZIQNS-UHFFFAOYSA-N -1 2 398.487 3.482 20 0 GGADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1nc2c(s1)c(C)ccc2C ZINC000831950375 601201115 /nfs/dbraw/zinc/20/11/15/601201115.db2.gz RUKZNFPFFNMUMA-UHFFFAOYSA-N -1 2 398.487 3.482 20 0 GGADLM CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000829372961 601201584 /nfs/dbraw/zinc/20/15/84/601201584.db2.gz ACJAIDGZUMSBMP-FLIBITNWSA-N -1 2 377.466 3.280 20 0 GGADLM O=C([O-])c1c(F)ccc(S(=O)(=O)N[C@H](c2ccccc2)C(F)(F)F)c1F ZINC000833295378 601231904 /nfs/dbraw/zinc/23/19/04/601231904.db2.gz SWEOHIKRMGWYEP-CYBMUJFWSA-N -1 2 395.305 3.245 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cs1 ZINC000433527918 601249923 /nfs/dbraw/zinc/24/99/23/601249923.db2.gz JXIYESIVTADORX-UHFFFAOYSA-N -1 2 389.414 3.383 20 0 GGADLM Cn1cc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1C(=O)[O-] ZINC000833049355 601323157 /nfs/dbraw/zinc/32/31/57/601323157.db2.gz LMHYZXVRIXDDQJ-UHFFFAOYSA-N -1 2 389.209 3.128 20 0 GGADLM CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(C(=O)[O-])[nH]2)C1 ZINC000829745443 601330837 /nfs/dbraw/zinc/33/08/37/601330837.db2.gz QNXZAEIQUNXFQX-XFXZXTDPSA-N -1 2 377.400 3.335 20 0 GGADLM CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(C(=O)[O-])[nH]2)C1 ZINC000829745443 601330839 /nfs/dbraw/zinc/33/08/39/601330839.db2.gz QNXZAEIQUNXFQX-XFXZXTDPSA-N -1 2 377.400 3.335 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2c(cccc2C)s1 ZINC000013360120 601357779 /nfs/dbraw/zinc/35/77/79/601357779.db2.gz RQDLZHQGADNARN-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2c(cc(C)cc2C)s1 ZINC000016125025 601358037 /nfs/dbraw/zinc/35/80/37/601358037.db2.gz DACILOHFXJLFKJ-UHFFFAOYSA-N -1 2 392.458 3.421 20 0 GGADLM COCc1csc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC000831821528 601361765 /nfs/dbraw/zinc/36/17/65/601361765.db2.gz ACHFBJUDPBQEEO-UHFFFAOYSA-N -1 2 397.261 3.095 20 0 GGADLM CC(=O)c1cccc(S(=O)(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000825963911 601361798 /nfs/dbraw/zinc/36/17/98/601361798.db2.gz JLLGPUVSQJUWKN-UHFFFAOYSA-N -1 2 382.463 3.142 20 0 GGADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)c1 ZINC000833297954 601361882 /nfs/dbraw/zinc/36/18/82/601361882.db2.gz YOYBOZSQUGKLPQ-UHFFFAOYSA-N -1 2 395.849 3.358 20 0 GGADLM Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832976587 601362104 /nfs/dbraw/zinc/36/21/04/601362104.db2.gz SSPJBRSSKVJJLN-FLIBITNWSA-N -1 2 383.429 3.079 20 0 GGADLM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccccc1OC(F)(F)F ZINC000833344635 601384337 /nfs/dbraw/zinc/38/43/37/601384337.db2.gz FBBRKKAWOWRTRX-UHFFFAOYSA-N -1 2 396.730 3.133 20 0 GGADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000833267302 601402944 /nfs/dbraw/zinc/40/29/44/601402944.db2.gz VKBSLEYPRVGUBC-UHFFFAOYSA-N -1 2 397.456 3.178 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(F)(F)F ZINC000392190194 601474209 /nfs/dbraw/zinc/47/42/09/601474209.db2.gz LEYVSZCRMZBVGD-UHFFFAOYSA-N -1 2 375.324 3.213 20 0 GGADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)c1 ZINC000833297987 601492755 /nfs/dbraw/zinc/49/27/55/601492755.db2.gz ZCZCETCUDMVRNE-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM CCCCCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000829373364 601502220 /nfs/dbraw/zinc/50/22/20/601502220.db2.gz TYXGHQIIDKUGQY-UHFFFAOYSA-N -1 2 391.421 3.048 20 0 GGADLM CCCCc1nnc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])s1 ZINC000829441257 601502326 /nfs/dbraw/zinc/50/23/26/601502326.db2.gz RRDOJMLHBQWPQY-UHFFFAOYSA-N -1 2 375.859 3.033 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nnc(C2CCCCC2)s1 ZINC000832208802 601503504 /nfs/dbraw/zinc/50/35/04/601503504.db2.gz UMAFMXPNRMOMKZ-UHFFFAOYSA-N -1 2 397.478 3.093 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)cs1 ZINC000833306206 601503765 /nfs/dbraw/zinc/50/37/65/601503765.db2.gz KGQCVQFYKQOHPQ-UHFFFAOYSA-N -1 2 387.508 3.221 20 0 GGADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1 ZINC000833267639 601503816 /nfs/dbraw/zinc/50/38/16/601503816.db2.gz YTMRAIQWMRPUCI-UHFFFAOYSA-N -1 2 381.479 3.014 20 0 GGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1nnc(C2CCCCC2)s1 ZINC000833317927 601503875 /nfs/dbraw/zinc/50/38/75/601503875.db2.gz AHOJFBZSQMIUBJ-UHFFFAOYSA-N -1 2 385.442 3.224 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)c1 ZINC000833334516 601504406 /nfs/dbraw/zinc/50/44/06/601504406.db2.gz QUJLGVNVRRECPD-UHFFFAOYSA-N -1 2 381.479 3.160 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(-c3cccc(Cl)c3)n[nH]2)ccc1F ZINC000754843502 601605064 /nfs/dbraw/zinc/60/50/64/601605064.db2.gz XJVVFISPYBBSDQ-UHFFFAOYSA-N -1 2 395.799 3.368 20 0 GGADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)c1 ZINC000833296894 601605686 /nfs/dbraw/zinc/60/56/86/601605686.db2.gz CUXIRXYVPBECNN-UHFFFAOYSA-N -1 2 377.809 3.229 20 0 GGADLM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cc(-c2ccccc2)n[nH]1 ZINC000833317689 601605710 /nfs/dbraw/zinc/60/57/10/601605710.db2.gz ACVFJXNRTVFYAA-UHFFFAOYSA-N -1 2 377.809 3.229 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2c(-c3ccco3)nc3ccccn32)cc1 ZINC000833323630 601770572 /nfs/dbraw/zinc/77/05/72/601770572.db2.gz UZRSTYXTGPJFFE-UHFFFAOYSA-N -1 2 383.385 3.093 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)c(F)cc1F ZINC000832903745 601795237 /nfs/dbraw/zinc/79/52/37/601795237.db2.gz QKWNWYHAYNCPCU-UHFFFAOYSA-N -1 2 396.415 3.372 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)ccc1Cl ZINC000311069278 601827731 /nfs/dbraw/zinc/82/77/31/601827731.db2.gz CZGOJNILRMYZAY-UHFFFAOYSA-N -1 2 391.836 3.084 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000833346834 601830675 /nfs/dbraw/zinc/83/06/75/601830675.db2.gz VWKXXXWJEQTPQU-UHFFFAOYSA-N -1 2 390.442 3.221 20 0 GGADLM Cc1nc(-c2ccc(NS(=O)(=O)c3csnc3C(=O)[O-])cc2)cs1 ZINC000832990775 601832579 /nfs/dbraw/zinc/83/25/79/601832579.db2.gz BNSVDNAOKLLPLD-UHFFFAOYSA-N -1 2 381.460 3.074 20 0 GGADLM COc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000069147813 601834131 /nfs/dbraw/zinc/83/41/31/601834131.db2.gz WSSLGVCWEFSHNC-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM CC(C)c1nc2ccc(NS(=O)(=O)c3csnc3C(=O)[O-])cc2s1 ZINC000827153726 601838581 /nfs/dbraw/zinc/83/85/81/601838581.db2.gz XJTULOXSPRTMJB-UHFFFAOYSA-N -1 2 383.476 3.375 20 0 GGADLM Cc1ccc2cccc(NS(=O)(=O)c3ccc(Cl)nc3C(=O)[O-])c2n1 ZINC000832961938 601839970 /nfs/dbraw/zinc/83/99/70/601839970.db2.gz IOALZTJMLBKWJL-UHFFFAOYSA-N -1 2 377.809 3.091 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)c(Cl)cc1F ZINC000740811439 601840787 /nfs/dbraw/zinc/84/07/87/601840787.db2.gz HNLJIEQIITXMLP-UHFFFAOYSA-N -1 2 380.180 3.337 20 0 GGADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000833294793 601847716 /nfs/dbraw/zinc/84/77/16/601847716.db2.gz VFSFEEDPDHAEQG-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccn([C@@H](C)c2ccccc2)n1 ZINC000675285367 601854853 /nfs/dbraw/zinc/85/48/53/601854853.db2.gz QQFCBWYDVVRTJH-AWEZNQCLSA-N -1 2 385.445 3.300 20 0 GGADLM CCCOc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000829527931 601855621 /nfs/dbraw/zinc/85/56/21/601855621.db2.gz MXBLSHGQGXCWSL-UHFFFAOYSA-N -1 2 388.804 3.162 20 0 GGADLM CCOc1ccc(OCC)c(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000830089001 601856259 /nfs/dbraw/zinc/85/62/59/601856259.db2.gz USAFHSNKZZPDDT-UHFFFAOYSA-N -1 2 383.397 3.122 20 0 GGADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3cc(F)c(C)cc3F)nc2n1 ZINC000832867373 601885252 /nfs/dbraw/zinc/88/52/52/601885252.db2.gz NRUCZGVGIOVJQC-UHFFFAOYSA-N -1 2 399.400 3.085 20 0 GGADLM Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833059928 601964973 /nfs/dbraw/zinc/96/49/73/601964973.db2.gz FWQTXPQDVKHSQF-FMIVXFBMSA-N -1 2 389.477 3.366 20 0 GGADLM Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833059929 601965032 /nfs/dbraw/zinc/96/50/32/601965032.db2.gz FWQTXPQDVKHSQF-XFXZXTDPSA-N -1 2 389.477 3.366 20 0 GGADLM O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)c2ccc3[nH]nnc3c2)c1 ZINC000833322859 602064936 /nfs/dbraw/zinc/06/49/36/602064936.db2.gz VMAWFILJIMJGPQ-UHFFFAOYSA-N -1 2 388.383 3.487 20 0 GGADLM O=C([O-])CCCc1nnc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000833232515 602105535 /nfs/dbraw/zinc/10/55/35/602105535.db2.gz XVPFJMJKXRODBB-UHFFFAOYSA-N -1 2 396.277 3.053 20 0 GGADLM COc1ccc(Br)c(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000832143084 602115837 /nfs/dbraw/zinc/11/58/37/602115837.db2.gz KWZJBDTYVDIAFZ-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000760364232 602118997 /nfs/dbraw/zinc/11/89/97/602118997.db2.gz JRQYQRQCDCGOIC-UHFFFAOYSA-N -1 2 395.742 3.265 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccnc2Nc2ccc(Cl)cc2)c[nH]1 ZINC000833306296 602214624 /nfs/dbraw/zinc/21/46/24/602214624.db2.gz NPLPWSHDAWBWSI-UHFFFAOYSA-N -1 2 392.824 3.306 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc(CCc2ccccc2)n[nH]1 ZINC000832852715 602306819 /nfs/dbraw/zinc/30/68/19/602306819.db2.gz GYVBFGABNOUROE-UHFFFAOYSA-N -1 2 385.445 3.002 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)c1C(=O)[O-] ZINC000832972414 602306907 /nfs/dbraw/zinc/30/69/07/602306907.db2.gz BRLAMCVHLXMYFM-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM O=C([O-])CCOc1ccc(S(=O)(=O)Nc2cc(C3CCCCC3)n[nH]2)cc1 ZINC000833239375 602308503 /nfs/dbraw/zinc/30/85/03/602308503.db2.gz PPARFSFWDLIKEN-UHFFFAOYSA-N -1 2 393.465 3.112 20 0 GGADLM O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(C3CCCCCC3)n[nH]2)cc1 ZINC000833259751 602308552 /nfs/dbraw/zinc/30/85/52/602308552.db2.gz VLSJYUWRHPILKY-UHFFFAOYSA-N -1 2 393.465 3.112 20 0 GGADLM Cc1cc(C)cc(-c2nnc(NS(=O)(=O)c3ccc(C(=O)[O-])s3)s2)c1 ZINC000832875313 604402616 /nfs/dbraw/zinc/40/26/16/604402616.db2.gz RCUCJHUGVZSLRR-UHFFFAOYSA-N -1 2 395.487 3.382 20 0 GGADLM O=C([O-])CCc1csc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000833243501 604625068 /nfs/dbraw/zinc/62/50/68/604625068.db2.gz JETDHFAVNDNFBF-UHFFFAOYSA-N -1 2 381.262 3.268 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1 ZINC000833345015 604793902 /nfs/dbraw/zinc/79/39/02/604793902.db2.gz ISIDDHVBPHNDOD-UHFFFAOYSA-N -1 2 397.659 3.058 20 0 GGADLM Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2C)o1 ZINC000135406859 604808255 /nfs/dbraw/zinc/80/82/55/604808255.db2.gz FVSLWPMHBUDIHY-UHFFFAOYSA-N -1 2 395.824 3.439 20 0 GGADLM Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)c2C)o1 ZINC000832907234 604809570 /nfs/dbraw/zinc/80/95/70/604809570.db2.gz PQFAREFSJKAMNR-UHFFFAOYSA-N -1 2 395.824 3.439 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C(F)F ZINC000833493935 604902937 /nfs/dbraw/zinc/90/29/37/604902937.db2.gz NBRBSKMJMDLGRJ-UHFFFAOYSA-N -1 2 391.371 3.115 20 0 GGADLM COc1ccc(-c2cc3[nH]c(-c4cc(C(=O)[O-])ccn4)nc(=O)c3s2)cc1 ZINC000832115867 604971863 /nfs/dbraw/zinc/97/18/63/604971863.db2.gz ABFFAURAJWCWEB-UHFFFAOYSA-N -1 2 379.397 3.420 20 0 GGADLM COc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)sc2c1 ZINC000328063978 604988400 /nfs/dbraw/zinc/98/84/00/604988400.db2.gz PUBGAUQSUYTYCV-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM O=C([O-])c1sccc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000833348008 604999106 /nfs/dbraw/zinc/99/91/06/604999106.db2.gz KJLZUGRIXXYFRI-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nnc(/C=C\c2ccco2)s1 ZINC000833747955 605027293 /nfs/dbraw/zinc/02/72/93/605027293.db2.gz PMHCZUNJEMYWPZ-SREVYHEPSA-N -1 2 391.430 3.109 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)cc1C(=O)[O-] ZINC000833750944 605027359 /nfs/dbraw/zinc/02/73/59/605027359.db2.gz IGFBKGKKBRCYGK-FNORWQNLSA-N -1 2 391.430 3.109 20 0 GGADLM CC(C)c1cccnc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000833511130 605053906 /nfs/dbraw/zinc/05/39/06/605053906.db2.gz BJGYCOCLCPTIQB-UHFFFAOYSA-N -1 2 399.266 3.467 20 0 GGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000833741474 605125002 /nfs/dbraw/zinc/12/50/02/605125002.db2.gz OKPPQPKTJPVEFB-UHFFFAOYSA-N -1 2 395.380 3.497 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C(C)C ZINC000833493310 605151056 /nfs/dbraw/zinc/15/10/56/605151056.db2.gz IKVQESSPHJZHNP-UHFFFAOYSA-N -1 2 383.445 3.301 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1C(C)C ZINC000833494627 605151081 /nfs/dbraw/zinc/15/10/81/605151081.db2.gz SJESOHAPNWCTHB-UHFFFAOYSA-N -1 2 383.445 3.301 20 0 GGADLM COc1c(Cl)cccc1NS(=O)(=O)c1cccc2c(C(=O)[O-])nccc21 ZINC000833726574 605152368 /nfs/dbraw/zinc/15/23/68/605152368.db2.gz CMQWJEXIEQMIOR-UHFFFAOYSA-N -1 2 392.820 3.396 20 0 GGADLM COc1cc2nc(C)sc2cc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485269369 605164550 /nfs/dbraw/zinc/16/45/50/605164550.db2.gz IGZTUWOVKGLHGL-UHFFFAOYSA-N -1 2 396.421 3.251 20 0 GGADLM CC(C)c1csc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])n1 ZINC000833511487 605181461 /nfs/dbraw/zinc/18/14/61/605181461.db2.gz VEMGYRTZYIDJOK-UHFFFAOYSA-N -1 2 377.447 3.314 20 0 GGADLM CC(C)c1cnc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])s1 ZINC000833511574 605181815 /nfs/dbraw/zinc/18/18/15/605181815.db2.gz YUYHLNZOMCTDOU-UHFFFAOYSA-N -1 2 377.447 3.314 20 0 GGADLM Cc1cnn(-c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cc(C)ccc2F)c1 ZINC000833749596 605189712 /nfs/dbraw/zinc/18/97/12/605189712.db2.gz OPCCDTLDFBVYOB-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1cnn(-c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccccc2Cl)c1 ZINC000833753874 605189945 /nfs/dbraw/zinc/18/99/45/605189945.db2.gz AFRCNTVPJNXYGH-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1ccc(Br)cc1S(=O)(=O)Nc1sccc1C(=O)[O-] ZINC000833747161 605204857 /nfs/dbraw/zinc/20/48/57/605204857.db2.gz BQODCRYSUGILGJ-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2sccc2C(=O)[O-])cc1Br ZINC000833750987 605205045 /nfs/dbraw/zinc/20/50/45/605205045.db2.gz LAJYWVJKNISLFL-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM CC(C)(C)C[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(F)(F)F ZINC000833426051 605298585 /nfs/dbraw/zinc/29/85/85/605298585.db2.gz ZBOYGLOBIFAANJ-VIFPVBQESA-N -1 2 389.342 3.308 20 0 GGADLM CC(C)Oc1c(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1F ZINC000783855315 605328471 /nfs/dbraw/zinc/32/84/71/605328471.db2.gz HEYDKDGQWIIIFT-UHFFFAOYSA-N -1 2 389.351 3.390 20 0 GGADLM O=C([O-])c1csc(NS(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000833784865 605330983 /nfs/dbraw/zinc/33/09/83/605330983.db2.gz QTSNDCWKSXGGQW-UHFFFAOYSA-N -1 2 382.394 3.182 20 0 GGADLM CC(C)(C)c1nc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)no1 ZINC000833450475 605584296 /nfs/dbraw/zinc/58/42/96/605584296.db2.gz DNKWPJKAPMTNDR-UHFFFAOYSA-N -1 2 394.236 3.173 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(Cl)c(N)c(Cl)c2)sc1C(=O)[O-] ZINC000055574129 1407009065 /nfs/dbraw/zinc/00/90/65/1407009065.db2.gz VUPPPIADVMZNNG-UHFFFAOYSA-N -1 2 381.262 3.445 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(-c3ccnc(C)n3)c2)sc1C(=O)[O-] ZINC000055585806 1407013728 /nfs/dbraw/zinc/01/37/28/1407013728.db2.gz AOWZYUFIAKOAOU-UHFFFAOYSA-N -1 2 389.458 3.321 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)sc1C(=O)[O-] ZINC000055632346 1407031896 /nfs/dbraw/zinc/03/18/96/1407031896.db2.gz MZSRFQLIOAYYFN-UHFFFAOYSA-N -1 2 396.490 3.084 20 0 GGADLM CCCOc1cc(C)ccc1NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000057119219 1407523183 /nfs/dbraw/zinc/52/31/83/1407523183.db2.gz JJKWGXUCIDJVSB-UHFFFAOYSA-N -1 2 393.461 3.220 20 0 GGADLM CCOc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000057125699 1407529675 /nfs/dbraw/zinc/52/96/75/1407529675.db2.gz IAJBMNKXDDWVQD-UHFFFAOYSA-N -1 2 380.809 3.109 20 0 GGADLM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000063849973 1408428717 /nfs/dbraw/zinc/42/87/17/1408428717.db2.gz ICLHURSBMMJQQR-UHFFFAOYSA-N -1 2 377.466 3.397 20 0 GGADLM O=S(=O)(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102907580 1410806133 /nfs/dbraw/zinc/80/61/33/1410806133.db2.gz BREBXCNHCDRVIV-UHFFFAOYSA-N -1 2 391.836 3.098 20 0 GGADLM O=C([N-]OCc1ccccc1)C1=NN(c2ccccc2C(F)(F)F)CC1=O ZINC000121005066 1413973952 /nfs/dbraw/zinc/97/39/52/1413973952.db2.gz FIMZVVRNPBOGSO-UHFFFAOYSA-N -1 2 377.322 3.458 20 0 GGADLM Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826289292 1428906999 /nfs/dbraw/zinc/90/69/99/1428906999.db2.gz UEWOTPFFMZMZQX-UHFFFAOYSA-N -1 2 384.248 3.283 20 0 GGADLM Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826289292 1428907003 /nfs/dbraw/zinc/90/70/03/1428907003.db2.gz UEWOTPFFMZMZQX-UHFFFAOYSA-N -1 2 384.248 3.283 20 0 GGADLM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Nc1ccccc1OC(C)(C)C ZINC000737224984 1429030309 /nfs/dbraw/zinc/03/03/09/1429030309.db2.gz JXKYDJYLGGOOFI-UHFFFAOYSA-N -1 2 387.465 3.153 20 0 GGADLM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Nc1ccccc1OC(C)(C)C ZINC000737224984 1429030316 /nfs/dbraw/zinc/03/03/16/1429030316.db2.gz JXKYDJYLGGOOFI-UHFFFAOYSA-N -1 2 387.465 3.153 20 0 GGADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1C(=O)[O-] ZINC000178954219 1429228580 /nfs/dbraw/zinc/22/85/80/1429228580.db2.gz CGTYWSUNHYZGJV-UHFFFAOYSA-N -1 2 375.381 3.023 20 0 GGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC000178954231 1429228400 /nfs/dbraw/zinc/22/84/00/1429228400.db2.gz JBNICCAZERPRDF-UHFFFAOYSA-N -1 2 375.381 3.023 20 0 GGADLM CS(=O)(=O)c1cc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cs1 ZINC000153486038 1422563700 /nfs/dbraw/zinc/56/37/00/1422563700.db2.gz NOVMUTLQEHGYQP-UHFFFAOYSA-N -1 2 398.469 3.342 20 0 GGADLM Cc1cc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000154982940 1423099135 /nfs/dbraw/zinc/09/91/35/1423099135.db2.gz WYSQEMMFYQTCQA-UHFFFAOYSA-N -1 2 393.403 3.023 20 0 GGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2-n2cccn2)c1Cl ZINC000156294105 1423762562 /nfs/dbraw/zinc/76/25/62/1423762562.db2.gz IBZJBSAHKVCHJI-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000156301223 1423766105 /nfs/dbraw/zinc/76/61/05/1423766105.db2.gz BUQNJDCARUCYSO-UHFFFAOYSA-N -1 2 376.365 3.288 20 0 GGADLM CCn1ncc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])c(C)cc3F)cc21 ZINC000156312207 1423772340 /nfs/dbraw/zinc/77/23/40/1423772340.db2.gz CPGQZGBLQCUKGZ-UHFFFAOYSA-N -1 2 377.397 3.003 20 0 GGADLM CCCCn1ncc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1C ZINC000160153642 1424581403 /nfs/dbraw/zinc/58/14/03/1424581403.db2.gz XIJUNGRDHYHQLO-UHFFFAOYSA-N -1 2 389.836 3.283 20 0 GGADLM O=C([O-])c1cc(N2CCCC2)ccc1NS(=O)(=O)c1cccc(F)c1F ZINC000180119372 1429745028 /nfs/dbraw/zinc/74/50/28/1429745028.db2.gz RDEAPVBQOYKXOC-UHFFFAOYSA-N -1 2 382.388 3.064 20 0 GGADLM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc(-c2ccsc2)ns1 ZINC000737801247 1424776375 /nfs/dbraw/zinc/77/63/75/1424776375.db2.gz MWAQQVRQBLNASG-WAYWQWQTSA-N -1 2 381.446 3.099 20 0 GGADLM Cc1nnc(NC(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)s1 ZINC000737521568 1425632111 /nfs/dbraw/zinc/63/21/11/1425632111.db2.gz PUOHJEFMMYRDOT-UHFFFAOYSA-N -1 2 398.477 3.077 20 0 GGADLM Cc1nnc(NC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)s1 ZINC000737521568 1425632116 /nfs/dbraw/zinc/63/21/16/1425632116.db2.gz PUOHJEFMMYRDOT-UHFFFAOYSA-N -1 2 398.477 3.077 20 0 GGADLM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000826304572 1426747211 /nfs/dbraw/zinc/74/72/11/1426747211.db2.gz PYLGEMZTEMTAKC-QYSRSOONSA-N -1 2 392.488 3.056 20 0 GGADLM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000826304572 1426747221 /nfs/dbraw/zinc/74/72/21/1426747221.db2.gz PYLGEMZTEMTAKC-QYSRSOONSA-N -1 2 392.488 3.056 20 0 GGADLM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ncccc1C(F)(F)F ZINC000826401902 1426747520 /nfs/dbraw/zinc/74/75/20/1426747520.db2.gz JCVCUYHWMRZEEZ-BQYQJAHWSA-N -1 2 375.310 3.037 20 0 GGADLM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ncccc1C(F)(F)F ZINC000826401902 1426747526 /nfs/dbraw/zinc/74/75/26/1426747526.db2.gz JCVCUYHWMRZEEZ-BQYQJAHWSA-N -1 2 375.310 3.037 20 0 GGADLM CCN1C(=O)c2ccc(Cl)cc2NC1c1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821241305 1426753590 /nfs/dbraw/zinc/75/35/90/1426753590.db2.gz LQIMOVPASVUDEL-KRWDZBQOSA-N -1 2 384.827 3.115 20 0 GGADLM O=C(Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1)[C@@H]1CC12CCC2 ZINC000823383747 1427016269 /nfs/dbraw/zinc/01/62/69/1427016269.db2.gz ZAIUFXLOEHXIBK-LBPRGKRZSA-N -1 2 399.505 3.139 20 0 GGADLM O=C(Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1)[C@@H]1CC12CCC2 ZINC000823383747 1427016274 /nfs/dbraw/zinc/01/62/74/1427016274.db2.gz ZAIUFXLOEHXIBK-LBPRGKRZSA-N -1 2 399.505 3.139 20 0 GGADLM Cc1cc(C(=O)Nc2ccc3nc(C(C)C)sc3c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000174317604 1427099443 /nfs/dbraw/zinc/09/94/43/1427099443.db2.gz QJRIAIPJUDVHTR-UHFFFAOYSA-N -1 2 395.444 3.318 20 0 GGADLM CCn1cc(S(=O)(=O)Nc2sc(-c3ccccc3)nc2C)cc1C(=O)[O-] ZINC000181758386 1430353514 /nfs/dbraw/zinc/35/35/14/1430353514.db2.gz HBCBVPJNZVYZGH-UHFFFAOYSA-N -1 2 391.474 3.439 20 0 GGADLM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000181773452 1430356736 /nfs/dbraw/zinc/35/67/36/1430356736.db2.gz PNOONTSLDBSGBH-AWEZNQCLSA-N -1 2 385.445 3.251 20 0 GGADLM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000187717938 1431803427 /nfs/dbraw/zinc/80/34/27/1431803427.db2.gz JQRTWLNGEWKCQX-LBPRGKRZSA-N -1 2 377.466 3.477 20 0 GGADLM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000187717954 1431803481 /nfs/dbraw/zinc/80/34/81/1431803481.db2.gz JQRTWLNGEWKCQX-GFCCVEGCSA-N -1 2 377.466 3.477 20 0 GGADLM CCc1c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1ccccc1C ZINC000189458092 1432117786 /nfs/dbraw/zinc/11/77/86/1432117786.db2.gz FIFDERLUZXZNQO-UHFFFAOYSA-N -1 2 399.472 3.171 20 0 GGADLM CC[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(C)nc2Cl)cc1)C(=O)[O-] ZINC000193342693 1432982747 /nfs/dbraw/zinc/98/27/47/1432982747.db2.gz RSQUHMCAULDZKC-ZDUSSCGKSA-N -1 2 382.869 3.498 20 0 GGADLM Cc1nc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000193495369 1433009041 /nfs/dbraw/zinc/00/90/41/1433009041.db2.gz MHBBNHOCBSDOKN-UHFFFAOYSA-N -1 2 397.186 3.474 20 0 GGADLM COC(=O)c1sc2[nH]c(C[N@H+](C)[C@H]3C[C@](C)(OC)C3(C)C)nc(=O)c2c1C ZINC000253550059 1433869025 /nfs/dbraw/zinc/86/90/25/1433869025.db2.gz OQJTUMVDCMGOLX-WLRWDXFRSA-N -1 2 393.509 3.127 20 0 GGADLM CCCC(=O)Nc1cccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)c1C ZINC000266861450 1434382742 /nfs/dbraw/zinc/38/27/42/1434382742.db2.gz SCRUSYYKGJOUPK-UHFFFAOYSA-N -1 2 395.419 3.044 20 0 GGADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000267502726 1434441638 /nfs/dbraw/zinc/44/16/38/1434441638.db2.gz LXADZTPGZZAFHW-UHFFFAOYSA-N -1 2 393.461 3.126 20 0 GGADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000276107815 1435191430 /nfs/dbraw/zinc/19/14/30/1435191430.db2.gz WXINDGVEPSLTPP-UHFFFAOYSA-N -1 2 397.474 3.051 20 0 GGADLM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000823107720 1441594310 /nfs/dbraw/zinc/59/43/10/1441594310.db2.gz GBMCIHIVVZYJKT-UHFFFAOYSA-N -1 2 397.851 3.220 20 0 GGADLM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000823107720 1441594312 /nfs/dbraw/zinc/59/43/12/1441594312.db2.gz GBMCIHIVVZYJKT-UHFFFAOYSA-N -1 2 397.851 3.220 20 0 GGADLM CC(C)[C@@H](C)C(=O)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735704109 1442220703 /nfs/dbraw/zinc/22/07/03/1442220703.db2.gz ZXLVXPMNLQOIIG-SNVBAGLBSA-N -1 2 389.510 3.241 20 0 GGADLM CC(C)[C@@H](C)C(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735704109 1442220707 /nfs/dbraw/zinc/22/07/07/1442220707.db2.gz ZXLVXPMNLQOIIG-SNVBAGLBSA-N -1 2 389.510 3.241 20 0 GGADLM CC(C)c1nnc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)s1 ZINC000824364736 1443180188 /nfs/dbraw/zinc/18/01/88/1443180188.db2.gz SFORNLGUDJAKRG-UHFFFAOYSA-N -1 2 384.252 3.401 20 0 GGADLM CC(C)c1nnc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)s1 ZINC000824364736 1443180191 /nfs/dbraw/zinc/18/01/91/1443180191.db2.gz SFORNLGUDJAKRG-UHFFFAOYSA-N -1 2 384.252 3.401 20 0 GGADLM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Nc1cccnc1-c1ccccc1 ZINC000826256108 1443384205 /nfs/dbraw/zinc/38/42/05/1443384205.db2.gz VFYHHTZQNAFSFH-UHFFFAOYSA-N -1 2 392.444 3.038 20 0 GGADLM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Nc1cccnc1-c1ccccc1 ZINC000826256108 1443384209 /nfs/dbraw/zinc/38/42/09/1443384209.db2.gz VFYHHTZQNAFSFH-UHFFFAOYSA-N -1 2 392.444 3.038 20 0 GGADLM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nnc(-c2ccccc2Cl)s1 ZINC000823108404 1443757199 /nfs/dbraw/zinc/75/71/99/1443757199.db2.gz MUSKZYOULQYHDG-UHFFFAOYSA-N -1 2 397.851 3.220 20 0 GGADLM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nnc(-c2ccccc2Cl)s1 ZINC000823108404 1443757203 /nfs/dbraw/zinc/75/72/03/1443757203.db2.gz MUSKZYOULQYHDG-UHFFFAOYSA-N -1 2 397.851 3.220 20 0 GGADLM CCCSc1nsc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821138894 1446567029 /nfs/dbraw/zinc/56/70/29/1446567029.db2.gz JMFPCCTULYGZGJ-VIFPVBQESA-N -1 2 390.498 3.103 20 0 GGADLM CCCSc1nsc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821138894 1446567030 /nfs/dbraw/zinc/56/70/30/1446567030.db2.gz JMFPCCTULYGZGJ-VIFPVBQESA-N -1 2 390.498 3.103 20 0 GGADLM Cc1ccc(-c2nnc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)s2)c(C)c1 ZINC000822214179 1446944838 /nfs/dbraw/zinc/94/48/38/1446944838.db2.gz SLYAODGPNSGDDF-UHFFFAOYSA-N -1 2 391.460 3.183 20 0 GGADLM Cc1ccc(-c2nnc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)s2)c(C)c1 ZINC000822214179 1446944840 /nfs/dbraw/zinc/94/48/40/1446944840.db2.gz SLYAODGPNSGDDF-UHFFFAOYSA-N -1 2 391.460 3.183 20 0 GGADLM COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000826182509 1447179322 /nfs/dbraw/zinc/17/93/22/1447179322.db2.gz MBRDMPLGOUGPIT-UHFFFAOYSA-N -1 2 387.447 3.041 20 0 GGADLM O=S(=O)(Nc1cc(Cl)ccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000826492696 1449527107 /nfs/dbraw/zinc/52/71/07/1449527107.db2.gz YNEAVABECHDWAW-UHFFFAOYSA-N -1 2 388.211 3.113 20 0 GGADLM Cc1cscc1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826321455 1449657804 /nfs/dbraw/zinc/65/78/04/1449657804.db2.gz FXCXMNKHILAAFT-UHFFFAOYSA-N -1 2 389.384 3.056 20 0 GGADLM Cc1ccc(-c2nsc(NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)n2)s1 ZINC000737303454 1449860419 /nfs/dbraw/zinc/86/04/19/1449860419.db2.gz LLOOIYMWAPYZQG-UHFFFAOYSA-N -1 2 397.489 3.326 20 0 GGADLM Cc1ccc(-c2nsc(NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)n2)s1 ZINC000737303454 1449860425 /nfs/dbraw/zinc/86/04/25/1449860425.db2.gz LLOOIYMWAPYZQG-UHFFFAOYSA-N -1 2 397.489 3.326 20 0 GGADLM Cc1c(NS(=O)(=O)c2c(Cl)cccc2Cl)cccc1-c1nnn[n-]1 ZINC000822121055 1450103666 /nfs/dbraw/zinc/10/36/66/1450103666.db2.gz ALRZILRAICABBW-UHFFFAOYSA-N -1 2 384.248 3.283 20 0 GGADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnc(Cl)cc1C ZINC000326298980 971280970 /nfs/dbraw/zinc/28/09/70/971280970.db2.gz DOFHEQXEWMMUCX-UHFFFAOYSA-N -1 2 391.232 3.204 20 0 GGADLM COc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000327004737 971355189 /nfs/dbraw/zinc/35/51/89/971355189.db2.gz LAEGMVXTCFGXKA-UHFFFAOYSA-N -1 2 385.825 3.165 20 0 GGADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1nc2ccccc2s1 ZINC000327054175 971360883 /nfs/dbraw/zinc/36/08/83/971360883.db2.gz YGVAVSAHGYGCSZ-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM CCOC(=O)c1ccsc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000327082283 971364430 /nfs/dbraw/zinc/36/44/30/971364430.db2.gz GYPUCUJNGLPLQB-UHFFFAOYSA-N -1 2 389.838 3.077 20 0 GGADLM O=C([O-])CCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000327395959 971395648 /nfs/dbraw/zinc/39/56/48/971395648.db2.gz SQPFWBSCUOZORM-UHFFFAOYSA-N -1 2 384.797 3.066 20 0 GGADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000327611693 971412954 /nfs/dbraw/zinc/41/29/54/971412954.db2.gz KVQVKMDXWNKBLS-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM O=C([O-])Cc1ccccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001595138199 952068288 /nfs/dbraw/zinc/06/82/88/952068288.db2.gz YATFGEVMJOYJIL-UHFFFAOYSA-N -1 2 393.314 3.152 20 0 GGADLM CCC(CC)(CNC(=O)c1cc(Cl)cc(Br)c1O)C(=O)[O-] ZINC001589498009 955024262 /nfs/dbraw/zinc/02/42/62/955024262.db2.gz HZNFXEFKUPNFND-UHFFFAOYSA-N -1 2 378.650 3.429 20 0 GGADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1OCC ZINC000007230555 956881857 /nfs/dbraw/zinc/88/18/57/956881857.db2.gz CCOGSNLHQHLICT-UHFFFAOYSA-N -1 2 383.397 3.122 20 0 GGADLM O=C([O-])C1(NC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CCCCCC1 ZINC001594724061 956985049 /nfs/dbraw/zinc/98/50/49/956985049.db2.gz HZIIGMPMVPUDGH-UHFFFAOYSA-N -1 2 377.828 3.139 20 0 GGADLM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc(Br)c(F)cc2O)c2ccccc21 ZINC001594727318 957015475 /nfs/dbraw/zinc/01/54/75/957015475.db2.gz RJWTUTVCDHAHRW-YGRLFVJLSA-N -1 2 394.196 3.337 20 0 GGADLM Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1 ZINC000026538908 957161107 /nfs/dbraw/zinc/16/11/07/957161107.db2.gz VXMBXIGCHJGCQC-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000194222313 959621174 /nfs/dbraw/zinc/62/11/74/959621174.db2.gz GZAGMDAOBMKYHV-UHFFFAOYSA-N -1 2 385.392 3.084 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cn1 ZINC000392442704 972486313 /nfs/dbraw/zinc/48/63/13/972486313.db2.gz BTRPHVYXTCOPOL-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000232390359 960263651 /nfs/dbraw/zinc/26/36/51/960263651.db2.gz JCUAILNINCBPIY-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1csc(-c2ccncc2)n1 ZINC001185879612 960530721 /nfs/dbraw/zinc/53/07/21/960530721.db2.gz PTHNWUCSDNNXJE-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccnc2N2CCCCC2)c1 ZINC001187545561 960544319 /nfs/dbraw/zinc/54/43/19/960544319.db2.gz OUJGQSVZWFGQMH-UHFFFAOYSA-N -1 2 395.868 3.224 20 0 GGADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1Cl ZINC001195234374 960569382 /nfs/dbraw/zinc/56/93/82/960569382.db2.gz JBDNZANZEMWZCZ-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1F ZINC001259212208 960660873 /nfs/dbraw/zinc/66/08/73/960660873.db2.gz JBVRQWGPQOMHFM-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM CSc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)ccn1 ZINC001259214202 960669688 /nfs/dbraw/zinc/66/96/88/960669688.db2.gz HNBRJWMBXLYAOH-UHFFFAOYSA-N -1 2 376.818 3.095 20 0 GGADLM Cn1ccc2c1cccc2NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259220620 960679015 /nfs/dbraw/zinc/67/90/15/960679015.db2.gz OOKOHQVQFSDJPX-UHFFFAOYSA-N -1 2 382.800 3.470 20 0 GGADLM COc1c(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1F ZINC001259219790 960679183 /nfs/dbraw/zinc/67/91/83/960679183.db2.gz GSXGPMUZHNHPRZ-UHFFFAOYSA-N -1 2 395.742 3.265 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c1 ZINC001260209299 960703488 /nfs/dbraw/zinc/70/34/88/960703488.db2.gz WIGVGZHZBDTBOE-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(Br)cc2C)c1C(=O)[O-] ZINC000314143489 963716992 /nfs/dbraw/zinc/71/69/92/963716992.db2.gz PUGZCFYLCCFHLG-UHFFFAOYSA-N -1 2 388.239 3.466 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)sc1Cl ZINC000318186510 970416156 /nfs/dbraw/zinc/41/61/56/970416156.db2.gz QDDTULMBOLVTCG-UHFFFAOYSA-N -1 2 380.900 3.375 20 0 GGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427199122 974050311 /nfs/dbraw/zinc/05/03/11/974050311.db2.gz JXWFIOFBGQRPQL-UHFFFAOYSA-N -1 2 397.277 3.362 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)ccc1Cl ZINC000436002553 974099080 /nfs/dbraw/zinc/09/90/80/974099080.db2.gz JVQHRFZSXZRCLR-UHFFFAOYSA-N -1 2 389.820 3.296 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1Cl ZINC000436014210 974099110 /nfs/dbraw/zinc/09/91/10/974099110.db2.gz QEMNOIHAXJUODG-UHFFFAOYSA-N -1 2 389.820 3.296 20 0 GGADLM C[C@H](Cc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1)C(=O)[O-] ZINC000436160369 974099483 /nfs/dbraw/zinc/09/94/83/974099483.db2.gz IGULTICKEFKYCZ-CQSZACIVSA-N -1 2 397.456 3.208 20 0 GGADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c2ncccc12 ZINC000463788825 974187335 /nfs/dbraw/zinc/18/73/35/974187335.db2.gz SKCZVRZYFIOWTB-UHFFFAOYSA-N -1 2 376.390 3.034 20 0 GGADLM Cc1coc(-c2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2)n1 ZINC000467930157 974193324 /nfs/dbraw/zinc/19/33/24/974193324.db2.gz CCIYQWDQFQPRHD-UHFFFAOYSA-N -1 2 376.365 3.288 20 0 GGADLM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000479180924 974215757 /nfs/dbraw/zinc/21/57/57/974215757.db2.gz HLQHWJBDOPPLQH-UHFFFAOYSA-N -1 2 388.367 3.263 20 0 GGADLM C[C@H](Cc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1)C(=O)[O-] ZINC000489404426 974251691 /nfs/dbraw/zinc/25/16/91/974251691.db2.gz FSCJQKGLDGUTIJ-SNVBAGLBSA-N -1 2 388.367 3.164 20 0 GGADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2csc3ccccc32)c1OC ZINC000504536385 974269376 /nfs/dbraw/zinc/26/93/76/974269376.db2.gz MSLLXCPOTQUVPL-UHFFFAOYSA-N -1 2 393.442 3.418 20 0 GGADLM CCCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000543022420 974417557 /nfs/dbraw/zinc/41/75/57/974417557.db2.gz IOAQFUGNZUWDDD-UHFFFAOYSA-N -1 2 385.445 3.324 20 0 GGADLM CCCc1c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000543951775 974419638 /nfs/dbraw/zinc/41/96/38/974419638.db2.gz OJHYTKZFKAWTED-UHFFFAOYSA-N -1 2 399.472 3.253 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000571869889 974737172 /nfs/dbraw/zinc/73/71/72/974737172.db2.gz UFODNXWLIAMLMN-UHFFFAOYSA-N -1 2 377.466 3.275 20 0 GGADLM CC(C)(C)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)[nH]n1 ZINC000677235048 976030881 /nfs/dbraw/zinc/03/08/81/976030881.db2.gz VUEZANQDHJRDAC-UHFFFAOYSA-N -1 2 391.371 3.225 20 0 GGADLM CC(C)n1nc(-c2ccco2)cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001592149602 977018882 /nfs/dbraw/zinc/01/88/82/977018882.db2.gz KUDUAEPTDSQKKU-UHFFFAOYSA-N -1 2 393.396 3.362 20 0 GGADLM CC(C)n1nc(-c2ccco2)cc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001592149892 977020045 /nfs/dbraw/zinc/02/00/45/977020045.db2.gz PPHWWPYYYHZGOC-UHFFFAOYSA-N -1 2 389.433 3.152 20 0 GGADLM CCc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)c(C(=O)[O-])c1 ZINC000732951659 978300449 /nfs/dbraw/zinc/30/04/49/978300449.db2.gz QQOLPZXSOICLBD-UHFFFAOYSA-N -1 2 379.825 3.049 20 0 GGADLM Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000745976565 978679409 /nfs/dbraw/zinc/67/94/09/978679409.db2.gz GQTFZPAQZRKRKR-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000745977359 978679481 /nfs/dbraw/zinc/67/94/81/978679481.db2.gz WYKKDJFQNJZPRF-UHFFFAOYSA-N -1 2 394.424 3.228 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cnn1CC(C)C ZINC000766332057 978724381 /nfs/dbraw/zinc/72/43/81/978724381.db2.gz NJYLHLRHEOKQQZ-UHFFFAOYSA-N -1 2 389.836 3.139 20 0 GGADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1C(F)(F)F ZINC000790348477 978799087 /nfs/dbraw/zinc/79/90/87/978799087.db2.gz WPJAKAZEGAUAHF-UHFFFAOYSA-N -1 2 393.314 3.352 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)[nH]n1 ZINC000793404302 978806898 /nfs/dbraw/zinc/80/68/98/978806898.db2.gz GQALWEHKGZNCNX-UHFFFAOYSA-N -1 2 389.408 3.332 20 0 GGADLM CC[C@H]1CCc2nc(NS(=O)(=O)Cc3ccc(C(=O)[O-])cc3)sc2C1 ZINC001595470506 981169123 /nfs/dbraw/zinc/16/91/23/981169123.db2.gz JGKFXHSRPRMVMO-NSHDSACASA-N -1 2 380.491 3.298 20 0 GGADLM CCC[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2C1 ZINC001595580475 981517824 /nfs/dbraw/zinc/51/78/24/981517824.db2.gz IBNQGYMWZZBVTN-GFCCVEGCSA-N -1 2 378.450 3.283 20 0 GGADLM CCC[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2C1 ZINC001595580475 981517828 /nfs/dbraw/zinc/51/78/28/981517828.db2.gz IBNQGYMWZZBVTN-GFCCVEGCSA-N -1 2 378.450 3.283 20 0 GGADLM CCC[C@H]1CCc2nc(NS(=O)(=O)c3cnc(C)c(C(=O)[O-])c3)sc2C1 ZINC001595623386 981720568 /nfs/dbraw/zinc/72/05/68/981720568.db2.gz MFUJXFZFKOJTKL-NSHDSACASA-N -1 2 395.506 3.251 20 0 GGADLM CC[C@H](C)[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001594922040 982473575 /nfs/dbraw/zinc/47/35/75/982473575.db2.gz WFDJOLKXWMSEEV-UPONEAKYSA-N -1 2 391.770 3.433 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595891177 982924090 /nfs/dbraw/zinc/92/40/90/982924090.db2.gz NPLIXTLYFZUFJF-UHFFFAOYSA-N -1 2 375.406 3.049 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1oc(C(=O)[O-])cc1C ZINC001595891641 982927240 /nfs/dbraw/zinc/92/72/40/982927240.db2.gz XSTYGNNQFJACEX-UHFFFAOYSA-N -1 2 375.406 3.049 20 0 GGADLM CC[C@H](C)c1ccc(S(=O)(=O)Nc2c(C)nn(CCC(=O)[O-])c2C)cc1 ZINC001595014419 982951863 /nfs/dbraw/zinc/95/18/63/982951863.db2.gz RPPXVCBLCODESB-LBPRGKRZSA-N -1 2 379.482 3.289 20 0 GGADLM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC001599888876 984670528 /nfs/dbraw/zinc/67/05/28/984670528.db2.gz YWPSFFOFCYWJHX-CYBMUJFWSA-N -1 2 399.834 3.347 20 0 GGADLM Cc1[nH]c(C(=O)[C@H](C)S(=O)(=O)Cc2ccc(Cl)s2)c(C)c1C(=O)[O-] ZINC001599947135 985547703 /nfs/dbraw/zinc/54/77/03/985547703.db2.gz AQDCKQBHVKJNGK-VIFPVBQESA-N -1 2 389.882 3.231 20 0 GGADLM CC(=C(O)c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)C[C@H](C)c1ccccc1 ZINC001599948758 985572961 /nfs/dbraw/zinc/57/29/61/985572961.db2.gz RVOBXFCMEONLSV-FZMZJTMJSA-N -1 2 377.462 3.119 20 0 GGADLM CC(=O)c1ccc2nc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2c1 ZINC001589306580 986074236 /nfs/dbraw/zinc/07/42/36/986074236.db2.gz XJOPRHJIRATFKG-UHFFFAOYSA-N -1 2 394.405 3.137 20 0 GGADLM CC(=O)c1ccc2nc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)sc2c1 ZINC001589306572 986074350 /nfs/dbraw/zinc/07/43/50/986074350.db2.gz XFKAGPCECWGOTR-UHFFFAOYSA-N -1 2 382.444 3.059 20 0 GGADLM CCOc1ccc(OC)cc1NS(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001597129755 986841347 /nfs/dbraw/zinc/84/13/47/986841347.db2.gz AGLBRRVXRLAGCH-UHFFFAOYSA-N -1 2 385.825 3.246 20 0 GGADLM CCOc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])n2)c2ccccc12 ZINC001597137203 986873994 /nfs/dbraw/zinc/87/39/94/986873994.db2.gz CMDSNEGFXBIPJE-UHFFFAOYSA-N -1 2 386.429 3.061 20 0 GGADLM CCOc1ccc(S(=O)(=O)Nc2scc(C)c2C(=O)[O-])cc1OCC ZINC001597137592 986877514 /nfs/dbraw/zinc/87/75/14/986877514.db2.gz KHRWDWBMOJOGKT-UHFFFAOYSA-N -1 2 385.463 3.353 20 0 GGADLM CCOc1ccc2nc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])sc2c1 ZINC001597144156 986903195 /nfs/dbraw/zinc/90/31/95/986903195.db2.gz PZYDMBDACFQHAJ-UHFFFAOYSA-N -1 2 396.446 3.404 20 0 GGADLM CCC(=O)c1cccc(S(=O)(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC001594722206 987209978 /nfs/dbraw/zinc/20/99/78/987209978.db2.gz INJUPOVJKJSUDS-UHFFFAOYSA-N -1 2 382.463 3.358 20 0 GGADLM CCc1c(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cnn1CC(C)C ZINC001597420135 987731609 /nfs/dbraw/zinc/73/16/09/987731609.db2.gz WNONZZHOAKYCLZ-YFHOEESVSA-N -1 2 377.466 3.000 20 0 GGADLM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC001589693920 987771199 /nfs/dbraw/zinc/77/11/99/987771199.db2.gz KJKHSFKBTJPJCO-UHFFFAOYSA-N -1 2 382.463 3.232 20 0 GGADLM CCc1ccc(NS(=O)(=O)c2c(Cl)cccc2C(=O)OC)c(C(=O)[O-])c1 ZINC001597555666 988282289 /nfs/dbraw/zinc/28/22/89/988282289.db2.gz AIPUHSDUQUKVTK-UHFFFAOYSA-N -1 2 397.836 3.188 20 0 GGADLM CCc1ccc(NS(=O)(=O)c2c(Cl)cccc2C(=O)[O-])c(C(=O)OC)c1 ZINC001597557079 988294113 /nfs/dbraw/zinc/29/41/13/988294113.db2.gz VJKOGBJWGQBWDI-UHFFFAOYSA-N -1 2 397.836 3.188 20 0 GGADLM CCc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)sc2c1 ZINC001597570270 988342213 /nfs/dbraw/zinc/34/22/13/988342213.db2.gz COVAXNUMYNGLTK-UHFFFAOYSA-N -1 2 380.422 3.497 20 0 GGADLM CSc1ccccc1S(=O)(=O)Nc1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001599826646 988608704 /nfs/dbraw/zinc/60/87/04/988608704.db2.gz XCAYCUBJJJEDLK-UHFFFAOYSA-N -1 2 395.487 3.221 20 0 GGADLM CCc1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)sc1C(=O)[O-] ZINC001597685358 988832395 /nfs/dbraw/zinc/83/23/95/988832395.db2.gz KRVHYPOFZNMNJG-UHFFFAOYSA-N -1 2 398.359 3.362 20 0 GGADLM CCc1nc(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)sc1C(=O)[O-] ZINC001597685542 988837717 /nfs/dbraw/zinc/83/77/17/988837717.db2.gz QCMHLSBDPNPILR-UHFFFAOYSA-N -1 2 378.834 3.138 20 0 GGADLM CCc1nc(NS(=O)(=O)c2cc(C(C)=O)ccc2Cl)sc1C(=O)[O-] ZINC001597685677 988841778 /nfs/dbraw/zinc/84/17/78/988841778.db2.gz VXXGUWPDUHHAPO-UHFFFAOYSA-N -1 2 388.854 3.061 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC001597785724 989305505 /nfs/dbraw/zinc/30/55/05/989305505.db2.gz PSYWPSGUMLLPAN-UHFFFAOYSA-N -1 2 396.440 3.470 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ncc(Cc2ccccc2)s1 ZINC001597790458 989311176 /nfs/dbraw/zinc/31/11/76/989311176.db2.gz CKLINRKIGGDQIJ-UHFFFAOYSA-N -1 2 392.458 3.388 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC001597791720 989325359 /nfs/dbraw/zinc/32/53/59/989325359.db2.gz QYZJXXDLKWPHAH-UHFFFAOYSA-N -1 2 395.824 3.180 20 0 GGADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)n[nH]1 ZINC001590363423 989823121 /nfs/dbraw/zinc/82/31/21/989823121.db2.gz YPOBKJRNYUKWDX-UHFFFAOYSA-N -1 2 391.449 3.184 20 0 GGADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)[nH]n1 ZINC001590363423 989823129 /nfs/dbraw/zinc/82/31/29/989823129.db2.gz YPOBKJRNYUKWDX-UHFFFAOYSA-N -1 2 391.449 3.184 20 0 GGADLM CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3cc(C(=O)[O-])ccn3)cc2s1 ZINC001590545538 990182722 /nfs/dbraw/zinc/18/27/22/990182722.db2.gz IVHWPYZSOGTIGW-UHFFFAOYSA-N -1 2 391.474 3.488 20 0 GGADLM CC(C)(C)n1nccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001590605262 990272677 /nfs/dbraw/zinc/27/26/77/990272677.db2.gz UXAWQKSBCAPWJD-UHFFFAOYSA-N -1 2 391.371 3.156 20 0 GGADLM COc1ccccc1S(=O)(=O)Nc1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599718264 991494022 /nfs/dbraw/zinc/49/40/22/991494022.db2.gz PFZGDADVQHJHKI-UHFFFAOYSA-N -1 2 382.463 3.308 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1C1CC1 ZINC001591533531 992711377 /nfs/dbraw/zinc/71/13/77/992711377.db2.gz LFHLQOAJTDGXKN-UHFFFAOYSA-N -1 2 381.429 3.055 20 0 GGADLM CN(Cc1nc(=O)c2sccc2[nH]1)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001598538184 992865493 /nfs/dbraw/zinc/86/54/93/992865493.db2.gz HHSYACJBOTUVCL-CYBMUJFWSA-N -1 2 381.816 3.447 20 0 GGADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc2cc(Cl)ccc2s1 ZINC001599383320 996897822 /nfs/dbraw/zinc/89/78/22/996897822.db2.gz AIGGQFIDRPIIID-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1C ZINC001598888209 996939610 /nfs/dbraw/zinc/93/96/10/996939610.db2.gz YTYOQMTWZKCAGF-UHFFFAOYSA-N -1 2 384.435 3.042 20 0 GGADLM COCc1cc(NC(=O)c2cccc(Br)c2O)cc(C(=O)[O-])c1 ZINC001599288911 997029051 /nfs/dbraw/zinc/02/90/51/997029051.db2.gz XLIQJSHEDHKYOA-UHFFFAOYSA-N -1 2 380.194 3.252 20 0 GGADLM COCc1nc(NS(=O)(=O)/C=C/c2cccc(Cl)c2)sc1C(=O)[O-] ZINC001599303385 997271547 /nfs/dbraw/zinc/27/15/47/997271547.db2.gz JFYFJVLRXGVJEG-AATRIKPKSA-N -1 2 388.854 3.054 20 0 GGADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc2oc(C)nc2c1 ZINC001599329825 997728101 /nfs/dbraw/zinc/72/81/01/997728101.db2.gz GCSCDNIJZLVLGO-UHFFFAOYSA-N -1 2 396.808 3.297 20 0 GGADLM C[C@@]1(NC(=O)C(F)(F)F)CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001594053983 997780397 /nfs/dbraw/zinc/78/03/97/997780397.db2.gz ZBCWCKVWLHJSBN-SMDDNHRTSA-N -1 2 399.196 3.262 20 0 GGADLM C[C@]1(NC(=O)C(F)(F)F)CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001594053980 997780546 /nfs/dbraw/zinc/78/05/46/997780546.db2.gz ZBCWCKVWLHJSBN-FZMZJTMJSA-N -1 2 399.196 3.262 20 0 GGADLM CO[C@@H]1CCOc2c(NS(=O)(=O)c3c(C)csc3C(=O)[O-])cccc21 ZINC001599127134 997871832 /nfs/dbraw/zinc/87/18/32/997871832.db2.gz FTQUHOAPDIWKKA-GFCCVEGCSA-N -1 2 383.447 3.026 20 0 GGADLM COc1cc(S(=O)(=O)Nc2nc(CC(C)(C)C)cs2)ccc1C(=O)[O-] ZINC001599460151 998259593 /nfs/dbraw/zinc/25/95/93/998259593.db2.gz TVDTXOUFLFYBTM-UHFFFAOYSA-N -1 2 384.479 3.239 20 0 GGADLM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccccc21 ZINC001598968325 998464964 /nfs/dbraw/zinc/46/49/64/998464964.db2.gz PKJYVCURUZOUBE-UHFFFAOYSA-N -1 2 385.397 3.125 20 0 GGADLM C[C@H]1CCc2nc(NS(=O)(=O)c3ccc(C4(C(=O)[O-])CC4)cc3)sc2C1 ZINC001594450796 999648441 /nfs/dbraw/zinc/64/84/41/999648441.db2.gz KMKWCGKCYCKVAE-NSHDSACASA-N -1 2 392.502 3.185 20 0 GGADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000013278802 204486275 /nfs/dbraw/zinc/48/62/75/204486275.db2.gz PVXGUBAOOSLKIK-UHFFFAOYSA-N -1 2 385.445 3.297 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2sccc2Br)cc1C(=O)[O-] ZINC000078789767 205036254 /nfs/dbraw/zinc/03/62/54/205036254.db2.gz GOPFRQTZJYYMCE-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c1 ZINC000058377489 205173180 /nfs/dbraw/zinc/17/31/80/205173180.db2.gz MGRNMDMKIXXOHM-UHFFFAOYSA-N -1 2 380.369 3.221 20 0 GGADLM O=C([O-])c1ccn(-c2ccccc2NS(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000078824162 205376075 /nfs/dbraw/zinc/37/60/75/205376075.db2.gz OYPDWZWYKIVKCP-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM Cc1cn(-c2ccccc2)nc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000078789972 205376474 /nfs/dbraw/zinc/37/64/74/205376474.db2.gz JZIOWIUMNAPADL-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)c(F)c1 ZINC000078938750 205377369 /nfs/dbraw/zinc/37/73/69/205377369.db2.gz CYQFEBSDMOYYCC-UHFFFAOYSA-N -1 2 377.315 3.430 20 0 GGADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000013278910 564275409 /nfs/dbraw/zinc/27/54/09/564275409.db2.gz FTNZLKINDKSKRU-UHFFFAOYSA-N -1 2 377.365 3.325 20 0 GGADLM COc1ccc(OC(F)F)c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000042793475 564451045 /nfs/dbraw/zinc/45/10/45/564451045.db2.gz ZTQQGWYFSKDMBW-UHFFFAOYSA-N -1 2 393.389 3.166 20 0 GGADLM CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000045946632 564491278 /nfs/dbraw/zinc/49/12/78/564491278.db2.gz VDKVWDKTHBFGNY-UHFFFAOYSA-N -1 2 385.463 3.353 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)sc1C(=O)[O-] ZINC000045946676 564491287 /nfs/dbraw/zinc/49/12/87/564491287.db2.gz WQRNCQLQZPQHIH-UHFFFAOYSA-N -1 2 395.380 3.497 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)sc1C(=O)[O-] ZINC000045946620 564491851 /nfs/dbraw/zinc/49/18/51/564491851.db2.gz IVFZQBASHJRPHL-UHFFFAOYSA-N -1 2 381.353 3.454 20 0 GGADLM Cc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1C(=O)[O-] ZINC000071171393 564856262 /nfs/dbraw/zinc/85/62/62/564856262.db2.gz BYLYXSOOHXFXON-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM CCc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)cc1C(=O)[O-] ZINC000137637466 564863209 /nfs/dbraw/zinc/86/32/09/564863209.db2.gz NQMWGTWMSPMIAB-UHFFFAOYSA-N -1 2 377.447 3.200 20 0 GGADLM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1CCC(C)C ZINC000137790427 564864304 /nfs/dbraw/zinc/86/43/04/564864304.db2.gz PLEGUWFYJGEMDT-UHFFFAOYSA-N -1 2 385.873 3.390 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])sc1Br ZINC000149480830 564885799 /nfs/dbraw/zinc/88/57/99/564885799.db2.gz GUFKBIJNZVHTDR-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)sc1Br ZINC000149487322 564885919 /nfs/dbraw/zinc/88/59/19/564885919.db2.gz KYHBTAGXFFKLQX-UHFFFAOYSA-N -1 2 390.280 3.247 20 0 GGADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000108931873 565019052 /nfs/dbraw/zinc/01/90/52/565019052.db2.gz DJPPMONWQZBZPZ-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1C ZINC000270141393 565209898 /nfs/dbraw/zinc/20/98/98/565209898.db2.gz VAQSRTSTFBJOCL-UHFFFAOYSA-N -1 2 392.264 3.326 20 0 GGADLM Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCc1ccc(O)c(Br)c1)CCC2 ZINC000372251532 565228672 /nfs/dbraw/zinc/22/86/72/565228672.db2.gz KKQQABKEAJUQFZ-CYBMUJFWSA-N -1 2 393.285 3.036 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000387636655 565548888 /nfs/dbraw/zinc/54/88/88/565548888.db2.gz ZYAUKDSCGKTBAJ-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(F)(F)F ZINC000391664519 565561703 /nfs/dbraw/zinc/56/17/03/565561703.db2.gz QPTLCPXRDQTKQT-UHFFFAOYSA-N -1 2 381.353 3.454 20 0 GGADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cccnc1OC(C)C ZINC000392749272 565565646 /nfs/dbraw/zinc/56/56/46/565565646.db2.gz WZMPAUVBKDSWQR-UHFFFAOYSA-N -1 2 384.841 3.330 20 0 GGADLM O=C([O-])c1cc(Br)cc(NS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000316664491 565592751 /nfs/dbraw/zinc/59/27/51/565592751.db2.gz UFGDGMOQIWOYLQ-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM Cc1ccc(F)c(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000317044695 565594211 /nfs/dbraw/zinc/59/42/11/565594211.db2.gz VDLLQQGHFQKKFL-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)c(F)c1 ZINC000327403091 565630815 /nfs/dbraw/zinc/63/08/15/565630815.db2.gz FRWIQBCUKFCODC-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1F ZINC000410383619 565680401 /nfs/dbraw/zinc/68/04/01/565680401.db2.gz RTZGSBWGLGJPOP-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM CCn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C(F)(F)F ZINC000410406906 565684498 /nfs/dbraw/zinc/68/44/98/565684498.db2.gz WRGIYXMEKKFFNB-UHFFFAOYSA-N -1 2 397.762 3.074 20 0 GGADLM Cc1cc(S(=O)(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c(F)cc1Br ZINC000333229977 565872519 /nfs/dbraw/zinc/87/25/19/565872519.db2.gz XZPCTXCJRFITFJ-JOYOIKCWSA-N -1 2 388.262 3.077 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cc(Cl)c1Cl ZINC000284912631 565876107 /nfs/dbraw/zinc/87/61/07/565876107.db2.gz ABPZXZKWLFELPT-UHFFFAOYSA-N -1 2 390.248 3.025 20 0 GGADLM COc1cc(NS(=O)(=O)c2sccc2Br)ccc1C(=O)[O-] ZINC000227177989 565921690 /nfs/dbraw/zinc/92/16/90/565921690.db2.gz KFWXGOSBESGBBN-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc(Br)c(F)cc1F ZINC000366636575 566162196 /nfs/dbraw/zinc/16/21/96/566162196.db2.gz VRMMFVPJMUQCAR-UHFFFAOYSA-N -1 2 380.152 3.160 20 0 GGADLM O=C([O-])C1CCC(NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CC1 ZINC000417791388 566176040 /nfs/dbraw/zinc/17/60/40/566176040.db2.gz NQZOCTZHPIRBLD-UHFFFAOYSA-N -1 2 380.857 3.045 20 0 GGADLM Cc1cccc(OC(F)F)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000481960269 566268626 /nfs/dbraw/zinc/26/86/26/566268626.db2.gz MFPXHHFANAWCNA-UHFFFAOYSA-N -1 2 375.324 3.235 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(OCC(F)F)cc2)sc1C(=O)[O-] ZINC000481976237 566272351 /nfs/dbraw/zinc/27/23/51/566272351.db2.gz UYHWATHIPMQAHB-UHFFFAOYSA-N -1 2 377.390 3.199 20 0 GGADLM CCn1cc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)cc1C(=O)[O-] ZINC000535067427 566276260 /nfs/dbraw/zinc/27/62/60/566276260.db2.gz YAIIOKCMAGHAEK-UHFFFAOYSA-N -1 2 377.447 3.131 20 0 GGADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000556347000 566287452 /nfs/dbraw/zinc/28/74/52/566287452.db2.gz NPJUAVDABPPDPI-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc3cnn(C(C)C)c3c2)sc1C(=O)[O-] ZINC000509605575 566319349 /nfs/dbraw/zinc/31/93/49/566319349.db2.gz WZHXYVKSMGRFOU-UHFFFAOYSA-N -1 2 379.463 3.486 20 0 GGADLM COc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1 ZINC000446629296 566359057 /nfs/dbraw/zinc/35/90/57/566359057.db2.gz UBGKIMAAZISFQF-UHFFFAOYSA-N -1 2 385.463 3.259 20 0 GGADLM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C(F)F)c1 ZINC000446631453 566359199 /nfs/dbraw/zinc/35/91/99/566359199.db2.gz MMWGZKSUKIROHY-UHFFFAOYSA-N -1 2 379.410 3.136 20 0 GGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c1 ZINC000536411183 566371533 /nfs/dbraw/zinc/37/15/33/566371533.db2.gz MXLWETHSULYWRL-UHFFFAOYSA-N -1 2 378.303 3.047 20 0 GGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)c1 ZINC000536629625 566388297 /nfs/dbraw/zinc/38/82/97/566388297.db2.gz WHBWLRGPPKFWFU-UHFFFAOYSA-N -1 2 376.415 3.015 20 0 GGADLM Cc1cc(Br)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000484505178 566432712 /nfs/dbraw/zinc/43/27/12/566432712.db2.gz USZPEYULEZVFOE-UHFFFAOYSA-N -1 2 390.280 3.247 20 0 GGADLM CCOc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c2ncccc12 ZINC000463792305 566434843 /nfs/dbraw/zinc/43/48/43/566434843.db2.gz ZJQOGYHPHGGFNA-UHFFFAOYSA-N -1 2 378.431 3.194 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnoc2-c2ccccc2)cc1Cl ZINC000511351135 566457142 /nfs/dbraw/zinc/45/71/42/566457142.db2.gz PINRPEIOLSAHFZ-UHFFFAOYSA-N -1 2 378.793 3.494 20 0 GGADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1Cl ZINC000484974913 566466933 /nfs/dbraw/zinc/46/69/33/566466933.db2.gz JPPOHGKZIROHHU-UHFFFAOYSA-N -1 2 383.853 3.475 20 0 GGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000485014679 566469663 /nfs/dbraw/zinc/46/96/63/566469663.db2.gz QGIKOBMPDKKFEI-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM CC(C)C[C@H](CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)C(=O)[O-] ZINC000424389003 566533030 /nfs/dbraw/zinc/53/30/30/566533030.db2.gz ZYVDXMYXWRSYDU-SNVBAGLBSA-N -1 2 382.873 3.149 20 0 GGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(Br)c2)c1 ZINC000512725195 566554603 /nfs/dbraw/zinc/55/46/03/566554603.db2.gz LCZKKBUJSLBBHP-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1cscc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486082216 566556056 /nfs/dbraw/zinc/55/60/56/566556056.db2.gz UDEWQBDZNALMNF-UHFFFAOYSA-N -1 2 381.353 3.454 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OCC2CCC2)c[nH]1 ZINC000466475612 566579802 /nfs/dbraw/zinc/57/98/02/566579802.db2.gz UYSXNGOLRJCOMD-UHFFFAOYSA-N -1 2 384.841 3.346 20 0 GGADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000560007007 566585799 /nfs/dbraw/zinc/58/57/99/566585799.db2.gz CSDOIAGMRDETCO-UHFFFAOYSA-N -1 2 387.816 3.306 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(-c3cncnc3)cc2)sc1C(=O)[O-] ZINC000605118900 566596385 /nfs/dbraw/zinc/59/63/85/566596385.db2.gz NPRUVYHVCHCGOS-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM CCOc1cc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)cc(Cl)c1O ZINC000579925013 566650435 /nfs/dbraw/zinc/65/04/35/566650435.db2.gz PLRHCRTYKQILBO-UHFFFAOYSA-N -1 2 387.929 3.235 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(O)c1 ZINC000467759488 566662187 /nfs/dbraw/zinc/66/21/87/566662187.db2.gz UJLHNZWSAWUVLA-UHFFFAOYSA-N -1 2 379.287 3.049 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000514866506 566675330 /nfs/dbraw/zinc/67/53/30/566675330.db2.gz LGESHKUBGZHGCA-UHFFFAOYSA-N -1 2 395.767 3.384 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc3c(cnn3C(F)F)c2)sc1C(=O)[O-] ZINC000676559447 566700389 /nfs/dbraw/zinc/70/03/89/566700389.db2.gz FSXHFLMLBNNLRR-UHFFFAOYSA-N -1 2 387.389 3.300 20 0 GGADLM O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000541796113 566749293 /nfs/dbraw/zinc/74/92/93/566749293.db2.gz RMJKWJXVDPLREV-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000541896066 566758273 /nfs/dbraw/zinc/75/82/73/566758273.db2.gz USMYXUYFFBVEPO-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000489562180 566796334 /nfs/dbraw/zinc/79/63/34/566796334.db2.gz UQRRDMRNANRGSD-UHFFFAOYSA-N -1 2 377.809 3.229 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCCC3)sc1C(=O)[O-] ZINC000581937120 566814759 /nfs/dbraw/zinc/81/47/59/566814759.db2.gz CDJBBICAFVLTJF-UHFFFAOYSA-N -1 2 379.459 3.465 20 0 GGADLM C[C@H](CNS(=O)(=O)c1ccc(C(F)F)o1)[N@@H+]1CCc2sccc2C1 ZINC000631727995 566820809 /nfs/dbraw/zinc/82/08/09/566820809.db2.gz UUTJPTWASMMTEC-SNVBAGLBSA-N -1 2 376.450 3.004 20 0 GGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000471979597 566992231 /nfs/dbraw/zinc/99/22/31/566992231.db2.gz OUEMNDJASDKZJL-UHFFFAOYSA-N -1 2 377.752 3.131 20 0 GGADLM COc1ccc(OCCS(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1 ZINC000471973263 566992590 /nfs/dbraw/zinc/99/25/90/566992590.db2.gz OMLDEZSOBLEVPU-UHFFFAOYSA-N -1 2 375.805 3.014 20 0 GGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C(=O)[O-])s1 ZINC000430980988 567043414 /nfs/dbraw/zinc/04/34/14/567043414.db2.gz HZWYRECIHDSGQM-UHFFFAOYSA-N -1 2 380.491 3.464 20 0 GGADLM Cc1cc(C)c(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)s1 ZINC000431124183 567057193 /nfs/dbraw/zinc/05/71/93/567057193.db2.gz FYRTVJTVQMHLLD-UHFFFAOYSA-N -1 2 383.447 3.025 20 0 GGADLM COc1ccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)c(C(=O)[O-])c1 ZINC000584735994 567065720 /nfs/dbraw/zinc/06/57/20/567065720.db2.gz YNOMMUZJNZYOON-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Br)o2)C1 ZINC000546093464 567105705 /nfs/dbraw/zinc/10/57/05/567105705.db2.gz CVTMKCHXWJFZKO-TZMCWYRMSA-N -1 2 399.310 3.156 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OCC(F)F ZINC000588633652 567129573 /nfs/dbraw/zinc/12/95/73/567129573.db2.gz RYJFEDXIRBQWML-UHFFFAOYSA-N -1 2 377.390 3.199 20 0 GGADLM COc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000588623359 567130257 /nfs/dbraw/zinc/13/02/57/567130257.db2.gz KBAWHDOSOFUDRR-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM COc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2SC)c(F)c1 ZINC000588626855 567130330 /nfs/dbraw/zinc/13/03/30/567130330.db2.gz UKZWZBLQITVFEV-UHFFFAOYSA-N -1 2 389.401 3.194 20 0 GGADLM COc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(F)c1 ZINC000588626599 567130547 /nfs/dbraw/zinc/13/05/47/567130547.db2.gz MAGQYDGWXZGGHK-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccnc2Oc2ccccc2)c1 ZINC000614843420 567143058 /nfs/dbraw/zinc/14/30/58/567143058.db2.gz NCNORLKQKDINGY-UHFFFAOYSA-N -1 2 376.415 3.434 20 0 GGADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cc(C)ccc1Cl ZINC000498015712 567143577 /nfs/dbraw/zinc/14/35/77/567143577.db2.gz NBXPEVYSHSGJQR-UHFFFAOYSA-N -1 2 383.853 3.475 20 0 GGADLM COc1cc2nc(C)sc2cc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000524006319 567180141 /nfs/dbraw/zinc/18/01/41/567180141.db2.gz DTMBXKRCGNUPLB-UHFFFAOYSA-N -1 2 398.487 3.482 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cc2[nH]ncc21 ZINC000499285854 567234736 /nfs/dbraw/zinc/23/47/36/567234736.db2.gz PANHCIREAFABBY-UHFFFAOYSA-N -1 2 379.825 3.332 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cnn1CC(C)C ZINC000499289805 567235333 /nfs/dbraw/zinc/23/53/33/567235333.db2.gz ZRHTURSGRIGEBL-UHFFFAOYSA-N -1 2 385.873 3.308 20 0 GGADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1sccc1Br ZINC000548202029 567288805 /nfs/dbraw/zinc/28/88/05/567288805.db2.gz CPNFZMAFLDOKAZ-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM Cc1c(Br)ccc(C(=O)[O-])c1NS(=O)(=O)c1ccccc1F ZINC000548262469 567300604 /nfs/dbraw/zinc/30/06/04/567300604.db2.gz UCVLOPDBYZGOOV-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000500299952 567312732 /nfs/dbraw/zinc/31/27/32/567312732.db2.gz UWVVBOYETPWICR-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc(F)cc(Br)c1[O-] ZINC000436642407 567440840 /nfs/dbraw/zinc/44/08/40/567440840.db2.gz IIGZVLWLYHPVOY-UHFFFAOYSA-N -1 2 393.172 3.037 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1O ZINC000436639985 567440893 /nfs/dbraw/zinc/44/08/93/567440893.db2.gz NIHHBNOCJCYECZ-UHFFFAOYSA-N -1 2 379.287 3.049 20 0 GGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1 ZINC000436745847 567449492 /nfs/dbraw/zinc/44/94/92/567449492.db2.gz DUTQLUNLMPTQSY-UHFFFAOYSA-N -1 2 380.180 3.337 20 0 GGADLM O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cc(Br)ccc1[O-] ZINC000436795282 567452808 /nfs/dbraw/zinc/45/28/08/567452808.db2.gz YEAZRFAAIZGBKT-UHFFFAOYSA-N -1 2 376.235 3.347 20 0 GGADLM CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3sccc3C)c(C)c2)CC1 ZINC000437341868 567493100 /nfs/dbraw/zinc/49/31/00/567493100.db2.gz XPWXDGIHTQQUML-UHFFFAOYSA-N -1 2 379.551 3.308 20 0 GGADLM Cc1ccn(-c2ccc(NS(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cc2)n1 ZINC000551445721 567506925 /nfs/dbraw/zinc/50/69/25/567506925.db2.gz ZCPZZLVOKUOHRN-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479258878 567518821 /nfs/dbraw/zinc/51/88/21/567518821.db2.gz YDDZNVICUBQUDA-UHFFFAOYSA-N -1 2 379.772 3.117 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cc2[nH]ncc21 ZINC000479266806 567520926 /nfs/dbraw/zinc/52/09/26/567520926.db2.gz PLSYDEWINIMTEU-UHFFFAOYSA-N -1 2 379.825 3.332 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cs1 ZINC000479551636 567543988 /nfs/dbraw/zinc/54/39/88/567543988.db2.gz FSNJSHLXRREGLU-UHFFFAOYSA-N -1 2 383.838 3.086 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)(F)F)cs1 ZINC000505279901 567568354 /nfs/dbraw/zinc/56/83/54/567568354.db2.gz HBOMVQFEVBCALB-UHFFFAOYSA-N -1 2 399.343 3.327 20 0 GGADLM Cc1scnc1NS(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000530140522 567573283 /nfs/dbraw/zinc/57/32/83/567573283.db2.gz LJYLSEXWDAJLQW-UHFFFAOYSA-N -1 2 390.870 3.149 20 0 GGADLM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000439624586 567597590 /nfs/dbraw/zinc/59/75/90/567597590.db2.gz WOUWZMGGKOLOTF-UHFFFAOYSA-N -1 2 385.800 3.327 20 0 GGADLM Cc1ccc(-c2cc(NS(=O)(=O)c3cc(C(=O)[O-])sc3C)n[nH]2)s1 ZINC000531018917 567637161 /nfs/dbraw/zinc/63/71/61/567637161.db2.gz AZZKQYAVRXMMJP-UHFFFAOYSA-N -1 2 383.476 3.316 20 0 GGADLM CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cccc(Br)c1O ZINC000572608841 567652339 /nfs/dbraw/zinc/65/23/39/567652339.db2.gz VHCOLCMJCIIJIL-UHFFFAOYSA-N -1 2 392.297 3.144 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCC(F)F ZINC000531629684 567670558 /nfs/dbraw/zinc/67/05/58/567670558.db2.gz UPGAKTCSMFWEMF-UHFFFAOYSA-N -1 2 377.390 3.199 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(Br)ccc2F)cc(C(=O)[O-])c1 ZINC000507569696 567686228 /nfs/dbraw/zinc/68/62/28/567686228.db2.gz RTEFXUIYKDGEMH-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(Br)s2)cc(C(=O)[O-])c1 ZINC000507565541 567686421 /nfs/dbraw/zinc/68/64/21/567686421.db2.gz LNZDUHINQGXLPX-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1cc(NS(=O)(=O)c2sccc2Br)cc(C(=O)[O-])c1 ZINC000507596071 567688948 /nfs/dbraw/zinc/68/89/48/567688948.db2.gz NIHCYIULHKHLBP-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(Br)cc2F)cc(C(=O)[O-])c1 ZINC000507584595 567689545 /nfs/dbraw/zinc/68/95/45/567689545.db2.gz RZKWEQOVZWXKFX-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1ccc([C@@H](NS(=O)(=O)CCCC(F)(F)F)C(F)(F)F)cc1 ZINC000573203576 567695245 /nfs/dbraw/zinc/69/52/45/567695245.db2.gz MRANDHGDPVXNQY-SNVBAGLBSA-N -1 2 393.305 3.250 20 0 GGADLM CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cc2O1 ZINC000442834720 567710998 /nfs/dbraw/zinc/71/09/98/567710998.db2.gz KSKBSJDJMNUCGF-INIZCTEOSA-N -1 2 383.447 3.453 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C ZINC000532932789 567744623 /nfs/dbraw/zinc/74/46/23/567744623.db2.gz CGUYQMXDULTSCL-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM CCOc1cccc(S(=O)(=O)Nc2c(OC)ccc(Cl)c2C(=O)[O-])c1 ZINC000443403247 567754660 /nfs/dbraw/zinc/75/46/60/567754660.db2.gz ACRGPOMQAATQJD-UHFFFAOYSA-N -1 2 385.825 3.246 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c1 ZINC000443417059 567756442 /nfs/dbraw/zinc/75/64/42/567756442.db2.gz KIUOYVSEDAOCLU-UHFFFAOYSA-N -1 2 399.343 3.327 20 0 GGADLM CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)cc(Cl)c1O)C(C)C ZINC000647129338 567763299 /nfs/dbraw/zinc/76/32/99/567763299.db2.gz SCHGAQNBXJBMDT-NSHDSACASA-N -1 2 386.695 3.221 20 0 GGADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000533691025 567781632 /nfs/dbraw/zinc/78/16/32/567781632.db2.gz JSIMIQANLADTBN-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1C(F)F ZINC000534057771 567798578 /nfs/dbraw/zinc/79/85/78/567798578.db2.gz WLEDQSOAQVFJMG-UHFFFAOYSA-N -1 2 379.410 3.037 20 0 GGADLM Cc1ccc(-c2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3C)n[nH]2)s1 ZINC000444424118 567805673 /nfs/dbraw/zinc/80/56/73/567805673.db2.gz VEHUGZBOQBTWMM-UHFFFAOYSA-N -1 2 377.447 3.254 20 0 GGADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1)C(=O)[O-] ZINC000170594916 570852679 /nfs/dbraw/zinc/85/26/79/570852679.db2.gz HYJDLTLTRYSTFJ-NSHDSACASA-N -1 2 393.852 3.052 20 0 GGADLM C[C@H](Cc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1)C(=O)[O-] ZINC000170594917 570852888 /nfs/dbraw/zinc/85/28/88/570852888.db2.gz HYJDLTLTRYSTFJ-LLVKDONJSA-N -1 2 393.852 3.052 20 0 GGADLM O=C([O-])Cc1ccccc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000819626091 597315083 /nfs/dbraw/zinc/31/50/83/597315083.db2.gz GMTLNFCKDCCPBF-UHFFFAOYSA-N -1 2 388.214 3.016 20 0 GGADLM CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000068077190 599746935 /nfs/dbraw/zinc/74/69/35/599746935.db2.gz VVDOWLRTOSTVNP-UHFFFAOYSA-N -1 2 382.825 3.106 20 0 GGADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000737718478 599815152 /nfs/dbraw/zinc/81/51/52/599815152.db2.gz SJRLVORBZNHEAK-UHFFFAOYSA-N -1 2 383.447 3.157 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)[O-])c(F)c1 ZINC000404990210 599850092 /nfs/dbraw/zinc/85/00/92/599850092.db2.gz ZSHZEINDIKQGKS-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cccnc2OCc2ccccc2)c1 ZINC000591683236 599851957 /nfs/dbraw/zinc/85/19/57/599851957.db2.gz PJXBUNMRBGSCDX-UHFFFAOYSA-N -1 2 384.413 3.160 20 0 GGADLM O=C([O-])CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000392734901 599853148 /nfs/dbraw/zinc/85/31/48/599853148.db2.gz SEAMQWXKPKGSKB-UHFFFAOYSA-N -1 2 384.797 3.066 20 0 GGADLM Cc1ccc(-c2nsc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)n2)s1 ZINC000738251252 599865128 /nfs/dbraw/zinc/86/51/28/599865128.db2.gz ZVJBLQBRRCZVMR-UHFFFAOYSA-N -1 2 381.460 3.074 20 0 GGADLM Cc1ccc(-c2nsc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3C)n2)s1 ZINC000738494398 599865225 /nfs/dbraw/zinc/86/52/25/599865225.db2.gz IXDNIDOTSGVZBL-UHFFFAOYSA-N -1 2 395.487 3.382 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000324048742 599875943 /nfs/dbraw/zinc/87/59/43/599875943.db2.gz TYTSPRXWFLTDQE-UHFFFAOYSA-N -1 2 381.353 3.454 20 0 GGADLM O=C([O-])COc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000738618934 599924449 /nfs/dbraw/zinc/92/44/49/599924449.db2.gz GKXDSGYNSONBPF-UHFFFAOYSA-N -1 2 393.314 3.109 20 0 GGADLM COc1cc2nc(C)sc2cc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000737908594 599926753 /nfs/dbraw/zinc/92/67/53/599926753.db2.gz FLCRUCPEDGLQDE-UHFFFAOYSA-N -1 2 384.460 3.174 20 0 GGADLM Cc1cnc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2)o1 ZINC000738803483 599974855 /nfs/dbraw/zinc/97/48/55/599974855.db2.gz TVOPCOOFXMMFRA-UHFFFAOYSA-N -1 2 376.365 3.288 20 0 GGADLM Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c1Cl ZINC000390421547 600051361 /nfs/dbraw/zinc/05/13/61/600051361.db2.gz OUZOYSRHGQYBKQ-UHFFFAOYSA-N -1 2 395.289 3.495 20 0 GGADLM CCOc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c2ccccc12 ZINC000737210602 600053504 /nfs/dbraw/zinc/05/35/04/600053504.db2.gz NFISFWBDRLVXTH-UHFFFAOYSA-N -1 2 392.458 3.123 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(-c2ccccc2C)n1 ZINC000738462803 600053581 /nfs/dbraw/zinc/05/35/81/600053581.db2.gz YNBUELFMCJGWDR-UHFFFAOYSA-N -1 2 385.445 3.297 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])n(-c2ccccc2C)n1 ZINC000738463464 600054277 /nfs/dbraw/zinc/05/42/77/600054277.db2.gz FTNOGORARVUQHX-UHFFFAOYSA-N -1 2 385.445 3.297 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n(-c2ccc(F)cc2)n1 ZINC000738463729 600054283 /nfs/dbraw/zinc/05/42/83/600054283.db2.gz SAMHTHDRWBPJHG-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(COc3ccccc3)cs2)cc1 ZINC000738688608 600054591 /nfs/dbraw/zinc/05/45/91/600054591.db2.gz HITCNGZUIAAZLU-UHFFFAOYSA-N -1 2 390.442 3.221 20 0 GGADLM CC[C@H]1CCc2nc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])sc2C1 ZINC000736940728 600054768 /nfs/dbraw/zinc/05/47/68/600054768.db2.gz TYQITTDYTLBEKO-JTQLQIEISA-N -1 2 384.479 3.367 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)c1 ZINC000740277889 600054881 /nfs/dbraw/zinc/05/48/81/600054881.db2.gz PQTKJKKXWTYENC-UHFFFAOYSA-N -1 2 380.472 3.294 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(Cc2ccccc2)n1 ZINC000738462743 600055089 /nfs/dbraw/zinc/05/50/89/600055089.db2.gz WLLTYLVWWXGWSP-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n(-c2ccccc2F)n1 ZINC000738463751 600055918 /nfs/dbraw/zinc/05/59/18/600055918.db2.gz UPNSGADHOBIESO-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)c1 ZINC000740279145 600056087 /nfs/dbraw/zinc/05/60/87/600056087.db2.gz XSLZDLAWMXDWEN-UHFFFAOYSA-N -1 2 398.462 3.434 20 0 GGADLM CC(C)(C)n1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cn1 ZINC000736305683 600057005 /nfs/dbraw/zinc/05/70/05/600057005.db2.gz LHEJPFIUNYMYJI-UHFFFAOYSA-N -1 2 391.371 3.156 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)c1 ZINC000738688809 600057328 /nfs/dbraw/zinc/05/73/28/600057328.db2.gz LTYXJSFABIUIKD-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM COc1ccc(OC(C)C)c(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000738044266 600057394 /nfs/dbraw/zinc/05/73/94/600057394.db2.gz MDCLPSXXAXNBPP-UHFFFAOYSA-N -1 2 383.397 3.121 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)c1 ZINC000730203732 600058439 /nfs/dbraw/zinc/05/84/39/600058439.db2.gz JDNFBCPEKXAHLL-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000737203646 600094116 /nfs/dbraw/zinc/09/41/16/600094116.db2.gz QEKSHAFWWGFNCL-UHFFFAOYSA-N -1 2 383.397 3.122 20 0 GGADLM CCn1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])cn1 ZINC000589435880 600097008 /nfs/dbraw/zinc/09/70/08/600097008.db2.gz KWWOFHWKIGCANC-UHFFFAOYSA-N -1 2 387.417 3.194 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)c1 ZINC000740235679 600100301 /nfs/dbraw/zinc/10/03/01/600100301.db2.gz JAGSOEIXMSDYAB-SFHVURJKSA-N -1 2 397.456 3.308 20 0 GGADLM CCc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)cc1 ZINC000737267040 600101611 /nfs/dbraw/zinc/10/16/11/600101611.db2.gz BBKYKZPFUWSQFT-UHFFFAOYSA-N -1 2 377.447 3.061 20 0 GGADLM CCCc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)cc1 ZINC000737049817 600101694 /nfs/dbraw/zinc/10/16/94/600101694.db2.gz FHKHHLTURQOLEO-UHFFFAOYSA-N -1 2 391.474 3.451 20 0 GGADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3ccc(Cl)cc3C)nc2n1 ZINC000738345161 600102478 /nfs/dbraw/zinc/10/24/78/600102478.db2.gz FLMZDXFQDYGNPA-UHFFFAOYSA-N -1 2 397.865 3.461 20 0 GGADLM O=C([O-])c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000740143176 600104146 /nfs/dbraw/zinc/10/41/46/600104146.db2.gz GAPLAHYGTPVGSN-UHFFFAOYSA-N -1 2 382.388 3.064 20 0 GGADLM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)n1 ZINC000740136746 600179672 /nfs/dbraw/zinc/17/96/72/600179672.db2.gz XBMDVCRWGPSBOX-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(F)cc1F ZINC000740089732 600229888 /nfs/dbraw/zinc/22/98/88/600229888.db2.gz JNHQPRIHDGVZOG-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM CCCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000737029234 600230511 /nfs/dbraw/zinc/23/05/11/600230511.db2.gz DRUMZWKBFPWVIW-UHFFFAOYSA-N -1 2 399.371 3.031 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c(F)cc1F ZINC000740089906 600231484 /nfs/dbraw/zinc/23/14/84/600231484.db2.gz NEPNCGLESPLSGI-UHFFFAOYSA-N -1 2 397.277 3.362 20 0 GGADLM CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000736346861 600231653 /nfs/dbraw/zinc/23/16/53/600231653.db2.gz ANVLECQVUSPIPA-UHFFFAOYSA-N -1 2 398.387 3.058 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(F)c2)c(F)cc1F ZINC000740090583 600234391 /nfs/dbraw/zinc/23/43/91/600234391.db2.gz YHLHCXZYXIEJET-UHFFFAOYSA-N -1 2 397.277 3.204 20 0 GGADLM CCC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)sc2C1 ZINC000736971258 600243823 /nfs/dbraw/zinc/24/38/23/600243823.db2.gz AJHYWIQYXSKVKM-GFCCVEGCSA-N -1 2 394.518 3.476 20 0 GGADLM Cc1ccccc1-n1nccc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000738755074 600244534 /nfs/dbraw/zinc/24/45/34/600244534.db2.gz MZVQTLKRTBJACK-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)cc1 ZINC000739889916 600244892 /nfs/dbraw/zinc/24/48/92/600244892.db2.gz TUMAJXJIBKLFIO-UHFFFAOYSA-N -1 2 388.470 3.162 20 0 GGADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)cc1 ZINC000739889277 600244899 /nfs/dbraw/zinc/24/48/99/600244899.db2.gz MHPFRWYPYMXHRY-UHFFFAOYSA-N -1 2 380.491 3.230 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(Br)ccc2Cl)c(C(=O)[O-])[nH]1 ZINC000738462790 600255918 /nfs/dbraw/zinc/25/59/18/600255918.db2.gz YEZVMXPQJHJSSV-UHFFFAOYSA-N -1 2 393.646 3.238 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OCC3CCOCC3)cc2)c1 ZINC000265651236 600256332 /nfs/dbraw/zinc/25/63/32/600256332.db2.gz VHBQVHPCHFCKPT-UHFFFAOYSA-N -1 2 397.474 3.053 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c(F)cc1F ZINC000740090106 600423065 /nfs/dbraw/zinc/42/30/65/600423065.db2.gz SEBXMQNQHYJFJZ-UHFFFAOYSA-N -1 2 388.417 3.189 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3ccsc3s2)c(F)cc1F ZINC000740090144 600473212 /nfs/dbraw/zinc/47/32/12/600473212.db2.gz UNDYOWZIZGIASI-UHFFFAOYSA-N -1 2 376.387 3.135 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(C)c(OC(F)F)c2)c1C(=O)[O-] ZINC000738632946 600493091 /nfs/dbraw/zinc/49/30/91/600493091.db2.gz QTFZHPWZRXIFFT-UHFFFAOYSA-N -1 2 375.349 3.305 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1OC(F)F ZINC000738633030 600493105 /nfs/dbraw/zinc/49/31/05/600493105.db2.gz VQWBHWYWMFEIEF-UHFFFAOYSA-N -1 2 375.324 3.235 20 0 GGADLM O=C([O-])c1ccnc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000391595199 600576421 /nfs/dbraw/zinc/57/64/21/600576421.db2.gz NCEWEMZRDPZVHS-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM O=C([O-])c1cc(Cl)cc(NS(=O)(=O)c2c(Cl)nc3ccccn32)c1 ZINC000740072941 600636592 /nfs/dbraw/zinc/63/65/92/600636592.db2.gz XEFJLFCYUFIHFR-UHFFFAOYSA-N -1 2 386.216 3.140 20 0 GGADLM O=C([O-])c1cc(Cl)cc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000740076319 600638621 /nfs/dbraw/zinc/63/86/21/600638621.db2.gz WEILKGDRDQRLJR-UHFFFAOYSA-N -1 2 391.836 3.084 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cc1C(=O)[O-] ZINC000738069932 600659559 /nfs/dbraw/zinc/65/95/59/600659559.db2.gz RWQVRUQTTBZUNI-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000508450312 600671302 /nfs/dbraw/zinc/67/13/02/600671302.db2.gz NRWGCWSRGKENLL-UHFFFAOYSA-N -1 2 399.428 3.074 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2Oc2cccc(F)c2)c[nH]1 ZINC000509577316 600676532 /nfs/dbraw/zinc/67/65/32/600676532.db2.gz LSUWVVZXMSREMI-UHFFFAOYSA-N -1 2 376.365 3.445 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2OC[C@H]2CCCCO2)cs1 ZINC000833306203 600678206 /nfs/dbraw/zinc/67/82/06/600678206.db2.gz DNPJUWXDCRLBFJ-GFCCVEGCSA-N -1 2 397.474 3.195 20 0 GGADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000198134465 600809449 /nfs/dbraw/zinc/80/94/49/600809449.db2.gz YKSBMAOTXPDMJP-UHFFFAOYSA-N -1 2 385.445 3.297 20 0 GGADLM Cn1cc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccccc2)cc1C(=O)[O-] ZINC000589939073 600814949 /nfs/dbraw/zinc/81/49/49/600814949.db2.gz RLUIWSNHEKFZRU-UHFFFAOYSA-N -1 2 390.392 3.456 20 0 GGADLM Cc1ccsc1Cn1nccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000832956520 600815608 /nfs/dbraw/zinc/81/56/08/600815608.db2.gz KMTSFRXOGZBQCW-UHFFFAOYSA-N -1 2 391.474 3.109 20 0 GGADLM CCCCc1ccc2nc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)sc2c1 ZINC000829441251 600827887 /nfs/dbraw/zinc/82/78/87/600827887.db2.gz RPKZGZAFPPQRNR-UHFFFAOYSA-N -1 2 393.490 3.476 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1C(=O)[O-] ZINC000832955787 600828420 /nfs/dbraw/zinc/82/84/20/600828420.db2.gz GNSLRBNJYBTHNH-UHFFFAOYSA-N -1 2 397.456 3.168 20 0 GGADLM O=C([O-])c1cccc(-c2nc(CS(=O)(=O)c3nc4ccccc4[nH]3)cs2)c1 ZINC000833326392 600830874 /nfs/dbraw/zinc/83/08/74/600830874.db2.gz LYRSDKFFQIYYDD-UHFFFAOYSA-N -1 2 399.453 3.359 20 0 GGADLM CCn1nc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])c1C ZINC000547883559 600889029 /nfs/dbraw/zinc/88/90/29/600889029.db2.gz CEJKOTGJQFULSP-UHFFFAOYSA-N -1 2 391.371 3.038 20 0 GGADLM CCCCc1ccc2nc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)sc2c1 ZINC000829440392 600974679 /nfs/dbraw/zinc/97/46/79/600974679.db2.gz JVZNEHSVMOHSMW-UHFFFAOYSA-N -1 2 379.463 3.466 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(C)n1 ZINC000832975023 600995108 /nfs/dbraw/zinc/99/51/08/600995108.db2.gz UDXIJNDXYWBFMW-UHFFFAOYSA-N -1 2 389.408 3.034 20 0 GGADLM Cc1c(S(=O)(=O)Nc2ccsc2C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000738305708 601046399 /nfs/dbraw/zinc/04/63/99/601046399.db2.gz PBBKDIYYSZMFOV-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM O=C([O-])c1cc(Oc2ccc(Cl)cc2)ccc1NS(=O)(=O)c1cn[nH]c1 ZINC000740086972 601050390 /nfs/dbraw/zinc/05/03/90/601050390.db2.gz FDJMPSQKOOJLQR-UHFFFAOYSA-N -1 2 393.808 3.354 20 0 GGADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1ncc(-c2ccccc2)s1 ZINC000831950699 601201009 /nfs/dbraw/zinc/20/10/09/601201009.db2.gz VZUGGYQIMDOVPN-UHFFFAOYSA-N -1 2 396.471 3.379 20 0 GGADLM O=C([O-])c1c(F)ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1F ZINC000833295379 601231821 /nfs/dbraw/zinc/23/18/21/601231821.db2.gz SWEOHIKRMGWYEP-ZDUSSCGKSA-N -1 2 395.305 3.245 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 ZINC000751142947 601234728 /nfs/dbraw/zinc/23/47/28/601234728.db2.gz PPKSOLZTBMNBBE-UHFFFAOYSA-N -1 2 376.365 3.343 20 0 GGADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCCc2ccc(NC(=O)[O-])cc2)=N1 ZINC000832889216 601289118 /nfs/dbraw/zinc/28/91/18/601289118.db2.gz FMMYEADQVWCHRL-UHFFFAOYSA-N -1 2 398.394 3.088 20 0 GGADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833011045 601320998 /nfs/dbraw/zinc/32/09/98/601320998.db2.gz CMENOEVZUDEHEV-RAXLEYEMSA-N -1 2 397.456 3.388 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCC(C)C ZINC000048382830 601324945 /nfs/dbraw/zinc/32/49/45/601324945.db2.gz OJKFPIZKNOJDCR-UHFFFAOYSA-N -1 2 379.434 3.229 20 0 GGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c1C ZINC000071946541 601325502 /nfs/dbraw/zinc/32/55/02/601325502.db2.gz BDTHKSPDUGNXCE-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1Br ZINC000147469964 601333470 /nfs/dbraw/zinc/33/34/70/601333470.db2.gz WYMIRMQBXBKNQX-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)sc1Br ZINC000832904527 601338957 /nfs/dbraw/zinc/33/89/57/601338957.db2.gz PXTXLJXGVXEBLX-UHFFFAOYSA-N -1 2 397.297 3.083 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)ccc1Br ZINC000035426991 601357180 /nfs/dbraw/zinc/35/71/80/601357180.db2.gz OHZUQGFVVGKOOF-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000826763492 601358328 /nfs/dbraw/zinc/35/83/28/601358328.db2.gz BFGLNURNJHNGSG-MRZGDXHCSA-N -1 2 377.466 3.389 20 0 GGADLM CC[C@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3OC)sc2C1 ZINC000829134048 601358375 /nfs/dbraw/zinc/35/83/75/601358375.db2.gz KTGZSDBZMXRXBU-JTQLQIEISA-N -1 2 396.490 3.166 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2ccc(C)cc2s1 ZINC000392299972 601358392 /nfs/dbraw/zinc/35/83/92/601358392.db2.gz DSMPRYSCQKWEBL-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n(Cc2ccccc2)n1 ZINC000832900032 601358844 /nfs/dbraw/zinc/35/88/44/601358844.db2.gz YGFNPESKMLPENC-XFXZXTDPSA-N -1 2 397.456 3.138 20 0 GGADLM O=C([O-])c1cc(-c2csc(NS(=O)(=O)/C=C/c3ccc(F)cc3)n2)c[nH]1 ZINC000833294998 601359302 /nfs/dbraw/zinc/35/93/02/601359302.db2.gz VTMRIFWZDJQOQD-AATRIKPKSA-N -1 2 393.421 3.388 20 0 GGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)c1C ZINC000832866882 601361991 /nfs/dbraw/zinc/36/19/91/601361991.db2.gz YTQJZPOLEHUWIL-UHFFFAOYSA-N -1 2 389.458 3.321 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)cc1C(=O)[O-] ZINC000832956524 601362160 /nfs/dbraw/zinc/36/21/60/601362160.db2.gz KTNJWQGGZKSSHV-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(F)cc(Cl)c2O)cc1OC ZINC000832235407 601385920 /nfs/dbraw/zinc/38/59/20/601385920.db2.gz KCRVMNQIHLLSAA-CYBMUJFWSA-N -1 2 397.786 3.148 20 0 GGADLM O=C([O-])C[C@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1cccs1 ZINC000833200348 601387140 /nfs/dbraw/zinc/38/71/40/601387140.db2.gz OKCDMMPNSLQXND-LBPRGKRZSA-N -1 2 391.836 3.239 20 0 GGADLM O=C([O-])c1cn(CC(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c2ccccc12 ZINC000833120462 601439146 /nfs/dbraw/zinc/43/91/46/601439146.db2.gz XKUIMGKHPWMNJI-UHFFFAOYSA-N -1 2 397.341 3.042 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1OC(F)F ZINC000508007115 601474789 /nfs/dbraw/zinc/47/47/89/601474789.db2.gz AUWZCNGMWLAYFO-UHFFFAOYSA-N -1 2 387.360 3.104 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000833345370 601485346 /nfs/dbraw/zinc/48/53/46/601485346.db2.gz ROZWQSYKBZMORA-UHFFFAOYSA-N -1 2 386.426 3.103 20 0 GGADLM CCCCCc1nnc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000829373462 601502431 /nfs/dbraw/zinc/50/24/31/601502431.db2.gz XELBGWPKPKMMMM-FLIBITNWSA-N -1 2 381.479 3.169 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nnc(CC2CCCCC2)s1 ZINC000832918508 601503796 /nfs/dbraw/zinc/50/37/96/601503796.db2.gz LUQNHJJIIRFCOB-UHFFFAOYSA-N -1 2 395.506 3.468 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)ccc1C(=O)[O-] ZINC000832904289 601503810 /nfs/dbraw/zinc/50/38/10/601503810.db2.gz FAAQNARZVSHTCH-UHFFFAOYSA-N -1 2 381.479 3.393 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nnc(CC2CCCCC2)s1 ZINC000832868021 601503891 /nfs/dbraw/zinc/50/38/91/601503891.db2.gz IRINFVNVVAIJEJ-UHFFFAOYSA-N -1 2 395.506 3.468 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1C(=O)[O-] ZINC000832956487 601503896 /nfs/dbraw/zinc/50/38/96/601503896.db2.gz GTMKYMCJYZHMPZ-UHFFFAOYSA-N -1 2 381.479 3.393 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)[nH]n1 ZINC000832973565 601604842 /nfs/dbraw/zinc/60/48/42/601604842.db2.gz GTZHNENIDUVDRP-FLIBITNWSA-N -1 2 383.429 3.284 20 0 GGADLM Cc1c2nc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)sc2ccc1F ZINC000832854405 601627850 /nfs/dbraw/zinc/62/78/50/601627850.db2.gz HNYNYPRSSMZJHO-UHFFFAOYSA-N -1 2 380.422 3.172 20 0 GGADLM O=C([O-])CC1CCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000833213081 601757415 /nfs/dbraw/zinc/75/74/15/601757415.db2.gz KOJCLACEMDHKDH-UHFFFAOYSA-N -1 2 376.634 3.135 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cnc1Cl ZINC000759679220 601770229 /nfs/dbraw/zinc/77/02/29/601770229.db2.gz DEYFTRCSSYXEQW-UHFFFAOYSA-N -1 2 379.196 3.335 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2c(-c3ccco3)nc3ccccn32)c1C(=O)[O-] ZINC000832973120 601770254 /nfs/dbraw/zinc/77/02/54/601770254.db2.gz WEOWLWQTXUWHPT-UHFFFAOYSA-N -1 2 397.412 3.402 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1Cl ZINC000391708013 601770766 /nfs/dbraw/zinc/77/07/66/601770766.db2.gz GKDJTODHUNHVCM-UHFFFAOYSA-N -1 2 390.870 3.013 20 0 GGADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000321168914 601771124 /nfs/dbraw/zinc/77/11/24/601771124.db2.gz OQRBYQJWLDYNOG-UHFFFAOYSA-N -1 2 378.834 3.144 20 0 GGADLM COc1ccc(Cl)c(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)c1 ZINC000832363216 601771371 /nfs/dbraw/zinc/77/13/71/601771371.db2.gz YBJBMSPBCWLKIX-UHFFFAOYSA-N -1 2 390.870 3.013 20 0 GGADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000327190721 601772115 /nfs/dbraw/zinc/77/21/15/601772115.db2.gz YTKFAJOWRPKBJG-UHFFFAOYSA-N -1 2 394.396 3.370 20 0 GGADLM Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)c1Cl ZINC000832885856 601783807 /nfs/dbraw/zinc/78/38/07/601783807.db2.gz MUWLUGNEJAYEQU-UHFFFAOYSA-N -1 2 377.249 3.448 20 0 GGADLM Cc1nc(-c2cccc(NS(=O)(=O)c3csnc3C(=O)[O-])c2)cs1 ZINC000832991686 601832594 /nfs/dbraw/zinc/83/25/94/601832594.db2.gz PSFRIZOCTGSTSU-UHFFFAOYSA-N -1 2 381.460 3.074 20 0 GGADLM Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000833060475 601844015 /nfs/dbraw/zinc/84/40/15/601844015.db2.gz MFTGWYOOJKRJDC-UHFFFAOYSA-N -1 2 385.873 3.161 20 0 GGADLM CCOc1ccc2nc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2c1 ZINC000830094666 601847457 /nfs/dbraw/zinc/84/74/57/601847457.db2.gz VWEVSXQNYMBPJB-UHFFFAOYSA-N -1 2 396.421 3.333 20 0 GGADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ncc(-c2ccccc2)s1 ZINC000833294446 601847620 /nfs/dbraw/zinc/84/76/20/601847620.db2.gz QSADHQUWIAGQER-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM Cc1nc(C)c(S(=O)(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)s1 ZINC000832996162 601847978 /nfs/dbraw/zinc/84/79/78/601847978.db2.gz RVGDTBPXWUQMCJ-UHFFFAOYSA-N -1 2 375.497 3.013 20 0 GGADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1nnc(CC2CCCCC2)s1 ZINC000833293994 601848018 /nfs/dbraw/zinc/84/80/18/601848018.db2.gz KJTDLOXMOWVTDP-UHFFFAOYSA-N -1 2 399.469 3.299 20 0 GGADLM Cc1c2nc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2ccc1F ZINC000832854601 601848368 /nfs/dbraw/zinc/84/83/68/601848368.db2.gz MPQVKSHTUAZDOR-UHFFFAOYSA-N -1 2 384.385 3.382 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2ccn([C@H](C)c3ccccc3)n2)cc1C(=O)[O-] ZINC000675284417 601854913 /nfs/dbraw/zinc/85/49/13/601854913.db2.gz BAEKRFBPNKVZTK-CQSZACIVSA-N -1 2 385.445 3.300 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccn([C@H](C)c3ccccc3)n2)ccc1C(=O)[O-] ZINC000671660607 601854954 /nfs/dbraw/zinc/85/49/54/601854954.db2.gz TUHICEOXNGDTFH-CQSZACIVSA-N -1 2 385.445 3.300 20 0 GGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cc(F)ccc1OC(F)F ZINC000833318281 601856188 /nfs/dbraw/zinc/85/61/88/601856188.db2.gz LXDSZMLWYLXAHQ-UHFFFAOYSA-N -1 2 379.287 3.065 20 0 GGADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833011081 601856574 /nfs/dbraw/zinc/85/65/74/601856574.db2.gz FRDMTCSASMLCKE-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccccc1OC(F)(F)F ZINC000833293718 601856826 /nfs/dbraw/zinc/85/68/26/601856826.db2.gz GKIRUVWCPNEVAD-UHFFFAOYSA-N -1 2 379.287 3.223 20 0 GGADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1F ZINC000832887329 601881757 /nfs/dbraw/zinc/88/17/57/601881757.db2.gz QNMZTRQTKLHODW-UHFFFAOYSA-N -1 2 387.429 3.392 20 0 GGADLM CN(Cc1nc(=O)c2sccc2[nH]1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830879259 601901435 /nfs/dbraw/zinc/90/14/35/601901435.db2.gz ARSYPKTUHUBZJA-ZDUSSCGKSA-N -1 2 383.351 3.072 20 0 GGADLM Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000833060001 601964860 /nfs/dbraw/zinc/96/48/60/601964860.db2.gz KGUFWPSTMVXTNG-UHFFFAOYSA-N -1 2 381.429 3.106 20 0 GGADLM Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000833059915 601965186 /nfs/dbraw/zinc/96/51/86/601965186.db2.gz FHHPVWPHAIMDPH-UHFFFAOYSA-N -1 2 381.429 3.106 20 0 GGADLM CCCCc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])[nH]n1 ZINC000829430618 602102790 /nfs/dbraw/zinc/10/27/90/602102790.db2.gz HXVJLXPBQXICHJ-UHFFFAOYSA-N -1 2 391.371 3.270 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nnc(-c2ccsc2)s1 ZINC000832852683 602103126 /nfs/dbraw/zinc/10/31/26/602103126.db2.gz GFAYLSSEICKUEB-UHFFFAOYSA-N -1 2 381.460 3.074 20 0 GGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cc(CC2CCCCC2)n[nH]1 ZINC000833318073 602103735 /nfs/dbraw/zinc/10/37/35/602103735.db2.gz FGTZUBQMSWTQCB-UHFFFAOYSA-N -1 2 381.429 3.171 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(CC3CCCCC3)n[nH]2)ccc1F ZINC000833304115 602103756 /nfs/dbraw/zinc/10/37/56/602103756.db2.gz QYTIUQIBZWJBRF-UHFFFAOYSA-N -1 2 381.429 3.171 20 0 GGADLM CC[C@H](C)c1ccc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000828770178 602104344 /nfs/dbraw/zinc/10/43/44/602104344.db2.gz FGYNQXNICNEWNT-NSHDSACASA-N -1 2 383.495 3.260 20 0 GGADLM Cc1c(Br)cccc1S(=O)(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832849619 602116008 /nfs/dbraw/zinc/11/60/08/602116008.db2.gz LYPKVYJUIBPVPU-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1Br ZINC000832955775 602116435 /nfs/dbraw/zinc/11/64/35/602116435.db2.gz CYUVCLIRKNZLQU-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])COc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c2ccccc12 ZINC000833259419 602124810 /nfs/dbraw/zinc/12/48/10/602124810.db2.gz NUYHRIUPIFUFCH-UHFFFAOYSA-N -1 2 393.367 3.382 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)s1 ZINC000832955807 602124913 /nfs/dbraw/zinc/12/49/13/602124913.db2.gz KETNTNFGYFFBRY-UHFFFAOYSA-N -1 2 377.443 3.474 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1-c1ncco1 ZINC000164755598 602202944 /nfs/dbraw/zinc/20/29/44/602202944.db2.gz SDDAJEIORYCXOI-UHFFFAOYSA-N -1 2 376.365 3.288 20 0 GGADLM Cc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])s3)cc2)n[nH]1 ZINC000832900532 602301681 /nfs/dbraw/zinc/30/16/81/602301681.db2.gz DPTLUNNFQIHCOD-UHFFFAOYSA-N -1 2 379.419 3.071 20 0 GGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)c1C ZINC000832866121 602306777 /nfs/dbraw/zinc/30/67/77/602306777.db2.gz CHSMWUVOWVHTFV-UHFFFAOYSA-N -1 2 389.458 3.321 20 0 GGADLM CN(c1ccccc1NS(=O)(=O)c1csnc1C(=O)[O-])C1CCCC1 ZINC000830888060 602321195 /nfs/dbraw/zinc/32/11/95/602321195.db2.gz CXLRCAYYBMGMQO-UHFFFAOYSA-N -1 2 381.479 3.021 20 0 GGADLM Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C(=O)[O-])s3)s2)c(C)c1 ZINC000832908373 604402810 /nfs/dbraw/zinc/40/28/10/604402810.db2.gz WGAKMVHAPLUOSB-UHFFFAOYSA-N -1 2 395.487 3.382 20 0 GGADLM Cc1cc(C)cc(-c2nnc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)s2)c1 ZINC000832875299 604402830 /nfs/dbraw/zinc/40/28/30/604402830.db2.gz QZYWBONPCGXGNI-UHFFFAOYSA-N -1 2 389.458 3.321 20 0 GGADLM O=C([O-])CCc1csc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000833244296 604626002 /nfs/dbraw/zinc/62/60/02/604626002.db2.gz ZCVZGEMVZKOCLF-UHFFFAOYSA-N -1 2 398.359 3.119 20 0 GGADLM O=C([O-])CCc1csc(NS(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000833244115 604626313 /nfs/dbraw/zinc/62/63/13/604626313.db2.gz SAGZDSHPUHSXER-UHFFFAOYSA-N -1 2 387.291 3.329 20 0 GGADLM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1cc(F)cc(Cl)c1O ZINC000828493399 604964903 /nfs/dbraw/zinc/96/49/03/604964903.db2.gz CVRILQIFPOJVFQ-NSHDSACASA-N -1 2 392.814 3.234 20 0 GGADLM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1cc(F)cc(Cl)c1O ZINC000828493398 604965189 /nfs/dbraw/zinc/96/51/89/604965189.db2.gz CVRILQIFPOJVFQ-LLVKDONJSA-N -1 2 392.814 3.234 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000833345900 605010162 /nfs/dbraw/zinc/01/01/62/605010162.db2.gz HXCPZVNTGASVED-UHFFFAOYSA-N -1 2 393.471 3.188 20 0 GGADLM Cc1c(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])cnn1-c1ccccc1F ZINC000832973159 605010454 /nfs/dbraw/zinc/01/04/54/605010454.db2.gz XGQQKIIQHZDQAY-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000833741458 605127375 /nfs/dbraw/zinc/12/73/75/605127375.db2.gz NNIXFIQNIQIZNG-UHFFFAOYSA-N -1 2 381.353 3.454 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1C(C)C ZINC000499265089 605150605 /nfs/dbraw/zinc/15/06/05/605150605.db2.gz OFLQXLHIOAXJMK-UHFFFAOYSA-N -1 2 379.482 3.470 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)[nH]n1 ZINC000444420621 605163065 /nfs/dbraw/zinc/16/30/65/605163065.db2.gz FHDIDPQEYUQTMD-UHFFFAOYSA-N -1 2 375.381 3.023 20 0 GGADLM CC(C)(C)Cc1cc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])[nH]n1 ZINC000833430190 605183281 /nfs/dbraw/zinc/18/32/81/605183281.db2.gz IORFQKLLQKQMHX-UHFFFAOYSA-N -1 2 388.449 3.046 20 0 GGADLM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Cl)c2O)cc1OC ZINC000833732365 605230413 /nfs/dbraw/zinc/23/04/13/605230413.db2.gz OCVMKKCVIZZITR-ZDUSSCGKSA-N -1 2 379.796 3.009 20 0 GGADLM Cc1sc(NS(=O)(=O)c2ccccc2OC(F)F)c(C(=O)[O-])c1C ZINC000833758454 605302869 /nfs/dbraw/zinc/30/28/69/605302869.db2.gz YHTRGEXAWVKLRF-UHFFFAOYSA-N -1 2 377.390 3.465 20 0 GGADLM Cc1sc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(C(=O)[O-])c1C ZINC000833757926 605303056 /nfs/dbraw/zinc/30/30/56/605303056.db2.gz DAYMGWXJOMPNGJ-UHFFFAOYSA-N -1 2 394.474 3.139 20 0 GGADLM CC(C)(C)[C@@H]1CCc2nc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)sc2C1 ZINC000833427196 605304629 /nfs/dbraw/zinc/30/46/29/605304629.db2.gz YPGPQWGDQOSDNV-SECBINFHSA-N -1 2 383.495 3.121 20 0 GGADLM CC(C)CC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2C1 ZINC000833483890 605343061 /nfs/dbraw/zinc/34/30/61/605343061.db2.gz SLEOJMJMATUKCV-UHFFFAOYSA-N -1 2 378.450 3.140 20 0 GGADLM CC(C)CC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2C1 ZINC000833483890 605343069 /nfs/dbraw/zinc/34/30/69/605343069.db2.gz SLEOJMJMATUKCV-UHFFFAOYSA-N -1 2 378.450 3.140 20 0 GGADLM COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc(OC)c1C(C)C ZINC000833728876 605421054 /nfs/dbraw/zinc/42/10/54/605421054.db2.gz BNKIQNSQTOGHOW-UHFFFAOYSA-N -1 2 385.463 3.388 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)sc1C(=O)[O-] ZINC000055586596 1407013934 /nfs/dbraw/zinc/01/39/34/1407013934.db2.gz PWYYNUNQSACVGH-UHFFFAOYSA-N -1 2 394.474 3.072 20 0 GGADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCC(C)C ZINC000057119395 1407523021 /nfs/dbraw/zinc/52/30/21/1407523021.db2.gz CTXDSGUGFWJLCI-UHFFFAOYSA-N -1 2 393.461 3.158 20 0 GGADLM CCCCOc1ccccc1NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000057120189 1407523858 /nfs/dbraw/zinc/52/38/58/1407523858.db2.gz OWHBMFFOFGMJAY-UHFFFAOYSA-N -1 2 393.461 3.302 20 0 GGADLM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000116679273 1412895776 /nfs/dbraw/zinc/89/57/76/1412895776.db2.gz PDCYIUYDASLGAQ-UHFFFAOYSA-N -1 2 397.277 3.362 20 0 GGADLM O=S(=O)(Nc1cc(-c2nnn[n-]2)ccc1O)c1ccc(-c2ccccc2)cc1 ZINC000823583352 1428744233 /nfs/dbraw/zinc/74/42/33/1428744233.db2.gz OOLNSXDPOIHDCR-UHFFFAOYSA-N -1 2 393.428 3.040 20 0 GGADLM O=S(=O)(Nc1cc(-c2nn[n-]n2)ccc1O)c1ccc(-c2ccccc2)cc1 ZINC000823583352 1428744236 /nfs/dbraw/zinc/74/42/36/1428744236.db2.gz OOLNSXDPOIHDCR-UHFFFAOYSA-N -1 2 393.428 3.040 20 0 GGADLM N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(F)c1 ZINC000120314419 1413780564 /nfs/dbraw/zinc/78/05/64/1413780564.db2.gz QSTHRUAFILHXPQ-UHFFFAOYSA-N -1 2 388.298 3.215 20 0 GGADLM CCn1ncc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cc(C)c3F)cc21 ZINC000177542838 1428787113 /nfs/dbraw/zinc/78/71/13/1428787113.db2.gz ARIAMGBIOQPFKW-UHFFFAOYSA-N -1 2 377.397 3.003 20 0 GGADLM Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)c1 ZINC000124610222 1415005159 /nfs/dbraw/zinc/00/51/59/1415005159.db2.gz PGMMYYLQWKUURM-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM CC(C)Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735904052 1429073133 /nfs/dbraw/zinc/07/31/33/1429073133.db2.gz KNWKFCBCCOQINY-UHFFFAOYSA-N -1 2 393.856 3.108 20 0 GGADLM CC(C)Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735904052 1429073139 /nfs/dbraw/zinc/07/31/39/1429073139.db2.gz KNWKFCBCCOQINY-UHFFFAOYSA-N -1 2 393.856 3.108 20 0 GGADLM Cc1nc(-c2ccc(NC(=O)c3cc(C)c4c(=O)[nH]c(=O)nc-4[n-]3)cc2)cs1 ZINC000151571971 1418028774 /nfs/dbraw/zinc/02/87/74/1418028774.db2.gz VPXZPDDUSFAJQJ-UHFFFAOYSA-N -1 2 393.428 3.016 20 0 GGADLM CC(C)n1ncc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)cc21 ZINC000179243672 1429304044 /nfs/dbraw/zinc/30/40/44/1429304044.db2.gz VXVOMDGNQAUCKL-UHFFFAOYSA-N -1 2 395.387 3.394 20 0 GGADLM CCCCCc1nnc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821062571 1429539832 /nfs/dbraw/zinc/53/98/32/1429539832.db2.gz YHUDDGKSCZFCPE-LLVKDONJSA-N -1 2 386.485 3.334 20 0 GGADLM CCCCCc1nnc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821062571 1429539834 /nfs/dbraw/zinc/53/98/34/1429539834.db2.gz YHUDDGKSCZFCPE-LLVKDONJSA-N -1 2 386.485 3.334 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3)n2)c(C)c1C(=O)[O-] ZINC000156299738 1423765080 /nfs/dbraw/zinc/76/50/80/1423765080.db2.gz ZTSFEMDCXJECPV-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2cccc(-c3ncco3)c2)c1 ZINC000160324347 1424595314 /nfs/dbraw/zinc/59/53/14/1424595314.db2.gz ISCCBBGAYHWFAU-UHFFFAOYSA-N -1 2 380.328 3.119 20 0 GGADLM O=S(=O)(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)sc1Cl ZINC000738343473 1424836051 /nfs/dbraw/zinc/83/60/51/1424836051.db2.gz ZUUBWAJZZHDWPP-UHFFFAOYSA-N -1 2 394.240 3.175 20 0 GGADLM O=S(=O)(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)sc1Cl ZINC000738343473 1424836060 /nfs/dbraw/zinc/83/60/60/1424836060.db2.gz ZUUBWAJZZHDWPP-UHFFFAOYSA-N -1 2 394.240 3.175 20 0 GGADLM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000823109200 1424929002 /nfs/dbraw/zinc/92/90/02/1424929002.db2.gz ZQYCGNGHCAZLJX-UHFFFAOYSA-N -1 2 397.851 3.220 20 0 GGADLM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nnc(-c2cccc(Cl)c2)s1 ZINC000823109200 1424929006 /nfs/dbraw/zinc/92/90/06/1424929006.db2.gz ZQYCGNGHCAZLJX-UHFFFAOYSA-N -1 2 397.851 3.220 20 0 GGADLM CCC(CC)c1nnc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736350338 1424980510 /nfs/dbraw/zinc/98/05/10/1424980510.db2.gz LYTAQIAFZRELMO-UHFFFAOYSA-N -1 2 389.510 3.353 20 0 GGADLM CCC(CC)c1nnc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736350338 1424980516 /nfs/dbraw/zinc/98/05/16/1424980516.db2.gz LYTAQIAFZRELMO-UHFFFAOYSA-N -1 2 389.510 3.353 20 0 GGADLM CC12CC3CC(C)(C1)CC(C(=O)OCCNc1ncccc1-c1nn[n-]n1)(C3)C2 ZINC000736229992 1425569644 /nfs/dbraw/zinc/56/96/44/1425569644.db2.gz QFUVXXLUGITMQA-DELCKGKKSA-N -1 2 396.495 3.213 20 0 GGADLM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000826255801 1426488519 /nfs/dbraw/zinc/48/85/19/1426488519.db2.gz LCHLFVUBZCHGAA-UHFFFAOYSA-N -1 2 392.510 3.021 20 0 GGADLM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000826255801 1426488522 /nfs/dbraw/zinc/48/85/22/1426488522.db2.gz LCHLFVUBZCHGAA-UHFFFAOYSA-N -1 2 392.510 3.021 20 0 GGADLM CC(C)(C)c1csc(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000735655998 1427303522 /nfs/dbraw/zinc/30/35/22/1427303522.db2.gz FGPOZWROCZJUGW-UHFFFAOYSA-N -1 2 398.901 3.075 20 0 GGADLM CC(C)(C)c1csc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000735655998 1427303527 /nfs/dbraw/zinc/30/35/27/1427303527.db2.gz FGPOZWROCZJUGW-UHFFFAOYSA-N -1 2 398.901 3.075 20 0 GGADLM Cc1cc[nH+]c(NC[C@@H]2CCN(c3c(-c4nnn[n-]4)c[nH+]c4ccccc43)C2)c1 ZINC000822374498 1427545408 /nfs/dbraw/zinc/54/54/08/1427545408.db2.gz ZODINQCXWNLIBJ-HNNXBMFYSA-N -1 2 386.463 3.057 20 0 GGADLM Cc1nc(-c2ccccc2)sc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000182112049 1430413872 /nfs/dbraw/zinc/41/38/72/1430413872.db2.gz MSJBRSNYAIUING-UHFFFAOYSA-N -1 2 393.428 3.016 20 0 GGADLM C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC000187716201 1431803151 /nfs/dbraw/zinc/80/31/51/1431803151.db2.gz YTSRUQWOUSFUIO-QMMMGPOBSA-N -1 2 387.820 3.146 20 0 GGADLM CC[C@H](Cc1ccc(NS(=O)(=O)c2ccc(C)nc2Cl)cc1)C(=O)[O-] ZINC000193342708 1432982960 /nfs/dbraw/zinc/98/29/60/1432982960.db2.gz RSQUHMCAULDZKC-CYBMUJFWSA-N -1 2 382.869 3.498 20 0 GGADLM Cc1nc(CC(C)C)c(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)s1 ZINC000263070430 1433982881 /nfs/dbraw/zinc/98/28/81/1433982881.db2.gz PVUBRUAUHRVDEF-NXEZZACHSA-N -1 2 379.404 3.377 20 0 GGADLM Cc1cc(C(=O)Nc2ccccc2OC2CCCC2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000265814724 1434267498 /nfs/dbraw/zinc/26/74/98/1434267498.db2.gz NEIMGWPZINLKCK-UHFFFAOYSA-N -1 2 380.404 3.318 20 0 GGADLM CCCOc1cc(F)ccc1NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000268306895 1434510860 /nfs/dbraw/zinc/51/08/60/1434510860.db2.gz IRYNXKWQVVWOQE-UHFFFAOYSA-N -1 2 397.424 3.051 20 0 GGADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OC(C)C ZINC000272232701 1434880154 /nfs/dbraw/zinc/88/01/54/1434880154.db2.gz JYKIEBVLAFQOFV-UHFFFAOYSA-N -1 2 397.424 3.049 20 0 GGADLM Cc1c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1C1CCCC1 ZINC000277625905 1435317492 /nfs/dbraw/zinc/31/74/92/1435317492.db2.gz OQEHWGHNDXOWNV-UHFFFAOYSA-N -1 2 377.466 3.125 20 0 GGADLM CCNC(=O)Nc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C ZINC000278823982 1435427309 /nfs/dbraw/zinc/42/73/09/1435427309.db2.gz YDGYTNRZEUVJOK-UHFFFAOYSA-N -1 2 397.478 3.005 20 0 GGADLM O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493036 1441955116 /nfs/dbraw/zinc/95/51/16/1441955116.db2.gz PPSBTHIJZOHEHF-UHFFFAOYSA-N -1 2 385.836 3.474 20 0 GGADLM O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493036 1441955118 /nfs/dbraw/zinc/95/51/18/1441955118.db2.gz PPSBTHIJZOHEHF-UHFFFAOYSA-N -1 2 385.836 3.474 20 0 GGADLM CCCc1nnc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000736494483 1443196540 /nfs/dbraw/zinc/19/65/40/1443196540.db2.gz DBMOYADLKZDGGF-UHFFFAOYSA-N -1 2 386.485 3.113 20 0 GGADLM CCCc1nnc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)s1 ZINC000736494483 1443196542 /nfs/dbraw/zinc/19/65/42/1443196542.db2.gz DBMOYADLKZDGGF-UHFFFAOYSA-N -1 2 386.485 3.113 20 0 GGADLM O=C(CCC1CC1)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737824936 1443529029 /nfs/dbraw/zinc/52/90/29/1443529029.db2.gz VRVMUMVMLOKFTP-UHFFFAOYSA-N -1 2 387.494 3.139 20 0 GGADLM O=C(CCC1CC1)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737824936 1443529033 /nfs/dbraw/zinc/52/90/33/1443529033.db2.gz VRVMUMVMLOKFTP-UHFFFAOYSA-N -1 2 387.494 3.139 20 0 GGADLM O=S(=O)(Nc1ncc(C2CCCCC2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000826493727 1443604339 /nfs/dbraw/zinc/60/43/39/1443604339.db2.gz ZUAIRDSNXZIGCZ-UHFFFAOYSA-N -1 2 390.494 3.172 20 0 GGADLM O=S(=O)(Nc1ncc(C2CCCCC2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000826493727 1443604343 /nfs/dbraw/zinc/60/43/43/1443604343.db2.gz ZUAIRDSNXZIGCZ-UHFFFAOYSA-N -1 2 390.494 3.172 20 0 GGADLM CCc1cccc(S(=O)(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000821492339 1446787459 /nfs/dbraw/zinc/78/74/59/1446787459.db2.gz MHIULYNTWMSSGJ-UHFFFAOYSA-N -1 2 387.465 3.017 20 0 GGADLM CCc1cccc(S(=O)(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000821492339 1446787464 /nfs/dbraw/zinc/78/74/64/1446787464.db2.gz MHIULYNTWMSSGJ-UHFFFAOYSA-N -1 2 387.465 3.017 20 0 GGADLM O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492725 1449719663 /nfs/dbraw/zinc/71/96/63/1449719663.db2.gz AAIDNNDYRXWBPG-UHFFFAOYSA-N -1 2 388.211 3.113 20 0 GGADLM O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492725 1449719664 /nfs/dbraw/zinc/71/96/64/1449719664.db2.gz AAIDNNDYRXWBPG-UHFFFAOYSA-N -1 2 388.211 3.113 20 0 GGADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2cccc3c2N=S=N3)n1 ZINC000325254410 971198587 /nfs/dbraw/zinc/19/85/87/971198587.db2.gz ATMRVZUAXJEFJA-UHFFFAOYSA-N -1 2 384.464 3.078 20 0 GGADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)nc1C ZINC000326003429 971261056 /nfs/dbraw/zinc/26/10/56/971261056.db2.gz GTEBTTOTSIPZTK-UHFFFAOYSA-N -1 2 391.232 3.204 20 0 GGADLM COc1ccc2nc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)sc2c1 ZINC000326697332 971317984 /nfs/dbraw/zinc/31/79/84/971317984.db2.gz UFLGJRPFAFXJPE-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM COc1cc(C)ccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000327069823 971363363 /nfs/dbraw/zinc/36/33/63/971363363.db2.gz CQPSFVOCNVVCHL-UHFFFAOYSA-N -1 2 385.825 3.165 20 0 GGADLM CCOc1ccc(OCC)c(NS(=O)(=O)c2c(C)csc2C(=O)[O-])c1 ZINC000327724675 971421838 /nfs/dbraw/zinc/42/18/38/971421838.db2.gz BWOOLSMIRUISJQ-UHFFFAOYSA-N -1 2 385.463 3.353 20 0 GGADLM O=C([O-])c1ccc(CNC(=O)c2cc(Cl)cc(Br)c2O)cc1 ZINC001595227810 949330237 /nfs/dbraw/zinc/33/02/37/949330237.db2.gz CJDPQHMISHXMSU-UHFFFAOYSA-N -1 2 384.613 3.436 20 0 GGADLM O=C([O-])CCCCC(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 ZINC001595035160 951400299 /nfs/dbraw/zinc/40/02/99/951400299.db2.gz YKKYKZKEIUKLED-UHFFFAOYSA-N -1 2 394.293 3.039 20 0 GGADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000387917854 972148700 /nfs/dbraw/zinc/14/87/00/972148700.db2.gz TUKOGIALHQBZBN-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM CC(C)c1cccc(N2CC(=O)C(C(=O)NCc3ccc(C(=O)[O-])cc3)=N2)c1 ZINC001603105744 972178371 /nfs/dbraw/zinc/17/83/71/972178371.db2.gz IQGUDCGOOXAAFL-UHFFFAOYSA-N -1 2 379.416 3.330 20 0 GGADLM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C1 ZINC001593963389 956516286 /nfs/dbraw/zinc/51/62/86/956516286.db2.gz DNQCQBWNUVZKNU-FQEVSTJZSA-N -1 2 389.835 3.276 20 0 GGADLM C[C@]1(C(=O)[O-])CCCN1Cc1cc(Br)c(O)c(Br)c1 ZINC001589186820 956562492 /nfs/dbraw/zinc/56/24/92/956562492.db2.gz GPCUQIUCDWSIEM-CYBMUJFWSA-N -1 2 393.075 3.356 20 0 GGADLM COc1ccc2nc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3C)sc2c1 ZINC000013026645 956906102 /nfs/dbraw/zinc/90/61/02/956906102.db2.gz RNRAHVNHPYLEJR-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM COc1ccc(-c2cc3[nH]c(CN([C@@H](C)C(=O)[O-])C4CC4)nc(=O)c3s2)cc1 ZINC001594071191 958185076 /nfs/dbraw/zinc/18/50/76/958185076.db2.gz JLTMQIKHJWMBIW-NSHDSACASA-N -1 2 399.472 3.098 20 0 GGADLM CC(C)c1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000186947748 959500106 /nfs/dbraw/zinc/50/01/06/959500106.db2.gz FAHZTAVVEWQMEN-UHFFFAOYSA-N -1 2 391.371 3.068 20 0 GGADLM CCc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccccc1C ZINC000189458144 959510446 /nfs/dbraw/zinc/51/04/46/959510446.db2.gz QVODYWZCOHJJQW-UHFFFAOYSA-N -1 2 385.445 3.242 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c2cccnc12 ZINC001195227181 960570059 /nfs/dbraw/zinc/57/00/59/960570059.db2.gz GDCUOUIJWJWVOF-UHFFFAOYSA-N -1 2 378.356 3.320 20 0 GGADLM Cc1nc(C(F)(F)F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195195028 960570213 /nfs/dbraw/zinc/57/02/13/960570213.db2.gz ODCCTVINXQJMPB-UHFFFAOYSA-N -1 2 396.293 3.186 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(C3CC3)cs2)c(F)cc1Cl ZINC001259212077 960660842 /nfs/dbraw/zinc/66/08/42/960660842.db2.gz DXKAYMRRMLJTRC-UHFFFAOYSA-N -1 2 376.818 3.312 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cnc(Cl)c(Br)c2)c1 ZINC000236480388 960665385 /nfs/dbraw/zinc/66/53/85/960665385.db2.gz PFKGQQHHKHXHPS-UHFFFAOYSA-N -1 2 397.659 3.058 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(F)cccc1Br ZINC001320731774 960984320 /nfs/dbraw/zinc/98/43/20/960984320.db2.gz OJBJYSWTCLFGSI-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cn1cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C2CCCCC2)n1 ZINC000296683067 962912590 /nfs/dbraw/zinc/91/25/90/962912590.db2.gz IQQLTHJUTRDNBP-UHFFFAOYSA-N -1 2 381.429 3.106 20 0 GGADLM Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C2CCCCC2)n1 ZINC000296812510 962918211 /nfs/dbraw/zinc/91/82/11/962918211.db2.gz VBAUYEBJAGLHCG-UHFFFAOYSA-N -1 2 381.429 3.106 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c(Cl)c1 ZINC000311557673 963490157 /nfs/dbraw/zinc/49/01/57/963490157.db2.gz BZQPYOORQQQIAX-UHFFFAOYSA-N -1 2 391.836 3.084 20 0 GGADLM O=C([O-])c1ccccc1C1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000375354887 968062739 /nfs/dbraw/zinc/06/27/39/968062739.db2.gz UNAVRCQYEZLQPM-UHFFFAOYSA-N -1 2 391.427 3.296 20 0 GGADLM O=C([O-])Cc1csc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000317991444 970401503 /nfs/dbraw/zinc/40/15/03/970401503.db2.gz FVQARXOITJTACZ-UHFFFAOYSA-N -1 2 385.225 3.017 20 0 GGADLM O=C([O-])[C@@H]1CC(C(=O)Nc2cc(Cl)cc(Cl)c2O)=NN1c1ccccc1 ZINC001605845236 972585590 /nfs/dbraw/zinc/58/55/90/972585590.db2.gz MGUYDXBXGLHRLA-AWEZNQCLSA-N -1 2 394.214 3.357 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c(F)c1 ZINC000410398681 973927545 /nfs/dbraw/zinc/92/75/45/973927545.db2.gz ADMDGTMUGKDGPC-UHFFFAOYSA-N -1 2 383.397 3.121 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C=Cc1ccc(C(=O)[O-])o1 ZINC001603672745 974052867 /nfs/dbraw/zinc/05/28/67/974052867.db2.gz QITLOKWGPMIMHM-XQRVVYSFSA-N -1 2 387.417 3.140 20 0 GGADLM COc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)ccc1C(=O)[O-] ZINC000432774634 974093967 /nfs/dbraw/zinc/09/39/67/974093967.db2.gz DGDHVXBHPZWZDJ-UHFFFAOYSA-N -1 2 393.314 3.352 20 0 GGADLM Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cc(C(=O)[O-])cc(F)c3C)c2C)o1 ZINC000433600051 974095685 /nfs/dbraw/zinc/09/56/85/974095685.db2.gz PALCFFLUADLVJI-UHFFFAOYSA-N -1 2 393.396 3.233 20 0 GGADLM O=C([O-])c1cccc(NS(=O)(=O)c2ccccc2C(=O)c2ccccc2)c1O ZINC000436995177 974100368 /nfs/dbraw/zinc/10/03/68/974100368.db2.gz PSLFOYSBPYOGOI-UHFFFAOYSA-N -1 2 397.408 3.122 20 0 GGADLM Cc1ccc(OCc2ccccc2)c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000442244594 974116798 /nfs/dbraw/zinc/11/67/98/974116798.db2.gz ZHKGAIJVBNDXBI-UHFFFAOYSA-N -1 2 386.429 3.401 20 0 GGADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000462071607 974183256 /nfs/dbraw/zinc/18/32/56/974183256.db2.gz FPXRLZYEMWNQLV-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000467774339 974191962 /nfs/dbraw/zinc/19/19/62/974191962.db2.gz VDOFJFPNQQTNFV-UHFFFAOYSA-N -1 2 392.355 3.172 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c(F)c1 ZINC000479200506 974215171 /nfs/dbraw/zinc/21/51/71/974215171.db2.gz UCVANOHMGQSHFO-UHFFFAOYSA-N -1 2 383.397 3.121 20 0 GGADLM CCCCn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C(C)C ZINC000480221538 974219026 /nfs/dbraw/zinc/21/90/26/974219026.db2.gz GAFSENRGCFKPBK-UHFFFAOYSA-N -1 2 383.445 3.445 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)[nH]n1 ZINC000489547175 974251626 /nfs/dbraw/zinc/25/16/26/974251626.db2.gz CWAOGUGBSWSSGZ-UHFFFAOYSA-N -1 2 375.381 3.023 20 0 GGADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cnn1CCC(C)C ZINC000491584677 974257235 /nfs/dbraw/zinc/25/72/35/974257235.db2.gz WHFKZMJGPTWFCZ-UHFFFAOYSA-N -1 2 397.472 3.438 20 0 GGADLM CCc1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1CCC(C)C ZINC000491591919 974257305 /nfs/dbraw/zinc/25/73/05/974257305.db2.gz PPXHFEYYHOAMEB-UHFFFAOYSA-N -1 2 383.445 3.130 20 0 GGADLM CCc1c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000518849367 974325785 /nfs/dbraw/zinc/32/57/85/974325785.db2.gz CUZOZBBGTNTPNG-UHFFFAOYSA-N -1 2 399.472 3.171 20 0 GGADLM CC(C)(C)n1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000533164690 974376978 /nfs/dbraw/zinc/37/69/78/974376978.db2.gz HBWCWNKOMMMYMO-UHFFFAOYSA-N -1 2 391.371 3.156 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000539597050 974396635 /nfs/dbraw/zinc/39/66/35/974396635.db2.gz KYPDGPIFDJSJME-UHFFFAOYSA-N -1 2 399.384 3.290 20 0 GGADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000543665265 974418801 /nfs/dbraw/zinc/41/88/01/974418801.db2.gz YNYZLLMHNLFCKB-GFCCVEGCSA-N -1 2 379.482 3.145 20 0 GGADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000543665271 974418915 /nfs/dbraw/zinc/41/89/15/974418915.db2.gz YNYZLLMHNLFCKB-LBPRGKRZSA-N -1 2 379.482 3.145 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C(F)F ZINC000556276376 974488779 /nfs/dbraw/zinc/48/87/79/974488779.db2.gz RWFSCGCJIDZEDW-UHFFFAOYSA-N -1 2 391.371 3.115 20 0 GGADLM CCc1c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1ccccc1C ZINC000564549870 974549300 /nfs/dbraw/zinc/54/93/00/974549300.db2.gz FMNODRMUFQMSDW-UHFFFAOYSA-N -1 2 399.472 3.171 20 0 GGADLM CCCc1c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1ccccc1 ZINC000569399742 974691266 /nfs/dbraw/zinc/69/12/66/974691266.db2.gz DWVXPBSBOIWSRX-UHFFFAOYSA-N -1 2 399.472 3.253 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cnn(CC(C)C)c1C1CC1 ZINC000569614911 974695826 /nfs/dbraw/zinc/69/58/26/974695826.db2.gz QCWJJLQZMCBJKZ-UHFFFAOYSA-N -1 2 377.466 3.224 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1O[C@H](C)C(F)(F)F ZINC000570121331 974704980 /nfs/dbraw/zinc/70/49/80/974704980.db2.gz CQHMVZUGDWCWGT-SECBINFHSA-N -1 2 393.339 3.417 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000579796685 974881922 /nfs/dbraw/zinc/88/19/22/974881922.db2.gz MQHHKTJUOLHHPU-UHFFFAOYSA-N -1 2 377.466 3.275 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000612042318 975018929 /nfs/dbraw/zinc/01/89/29/975018929.db2.gz RLBRZOCXHHPHAA-UHFFFAOYSA-N -1 2 379.434 3.197 20 0 GGADLM CC(C)Oc1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)c(C(=O)[O-])c1 ZINC001591788195 975968655 /nfs/dbraw/zinc/96/86/55/975968655.db2.gz SNDBVJXZGOZJIO-UHFFFAOYSA-N -1 2 389.408 3.103 20 0 GGADLM CC(C)Oc1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)[nH]n2)c(C(=O)[O-])c1 ZINC001591788195 975968666 /nfs/dbraw/zinc/96/86/66/975968666.db2.gz SNDBVJXZGOZJIO-UHFFFAOYSA-N -1 2 389.408 3.103 20 0 GGADLM CC(C)Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000677234894 976031754 /nfs/dbraw/zinc/03/17/54/976031754.db2.gz SAWKQXPLFTVDGB-UHFFFAOYSA-N -1 2 391.371 3.057 20 0 GGADLM CC(C)Oc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001591814348 976050141 /nfs/dbraw/zinc/05/01/41/976050141.db2.gz DAMFQVWUMXFIDF-UHFFFAOYSA-N -1 2 388.804 3.160 20 0 GGADLM CC(C)c1ccc(N2CC(=O)C(C(=O)NCc3cccc(C(=O)[O-])c3)=N2)cc1 ZINC001591943764 976483833 /nfs/dbraw/zinc/48/38/33/976483833.db2.gz RVXVIVLCAHYJDN-UHFFFAOYSA-N -1 2 379.416 3.330 20 0 GGADLM CC(C)c1cccc(N2CC(=O)C(C(=O)NCc3ccc(C(=O)[O-])s3)=N2)c1 ZINC001591983902 976605565 /nfs/dbraw/zinc/60/55/65/976605565.db2.gz URJBWIGZFHOADC-UHFFFAOYSA-N -1 2 385.445 3.391 20 0 GGADLM CC(C)c1ncc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cn1 ZINC001592037546 976755888 /nfs/dbraw/zinc/75/58/88/976755888.db2.gz QUYYDZSKVKUAMB-UHFFFAOYSA-N -1 2 389.355 3.118 20 0 GGADLM CC(C)c1sc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)nc1C(=O)[O-] ZINC001592116630 976916257 /nfs/dbraw/zinc/91/62/57/976916257.db2.gz CPSYNIFNCAIFJG-UHFFFAOYSA-N -1 2 380.369 3.183 20 0 GGADLM CN(C)C(=O)Sc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000737351439 978399111 /nfs/dbraw/zinc/39/91/11/978399111.db2.gz FJKKZJHDUWOSRY-UHFFFAOYSA-N -1 2 398.437 3.098 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)c1 ZINC000738688926 978588588 /nfs/dbraw/zinc/58/85/88/978588588.db2.gz PEBSSJMRNJDQOW-UHFFFAOYSA-N -1 2 388.348 3.213 20 0 GGADLM O=C([O-])CCSCc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000739753215 978652982 /nfs/dbraw/zinc/65/29/82/978652982.db2.gz GWPKBYBWOPLHPM-UHFFFAOYSA-N -1 2 387.429 3.474 20 0 GGADLM O=C([O-])c1cc(F)c(Br)c(S(=O)(=O)Nc2ccsc2)c1 ZINC000753524848 978693283 /nfs/dbraw/zinc/69/32/83/978693283.db2.gz YTSZUCSMLJLUSD-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2O)c(Cl)cc1F ZINC000753960051 978695536 /nfs/dbraw/zinc/69/55/36/978695536.db2.gz BQDISWYJOKMZDD-UHFFFAOYSA-N -1 2 380.180 3.337 20 0 GGADLM CCc1onc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000759105848 978705167 /nfs/dbraw/zinc/70/51/67/978705167.db2.gz NAPPICLYJXIEJZ-UHFFFAOYSA-N -1 2 379.221 3.351 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)cc1F ZINC000768500492 978738307 /nfs/dbraw/zinc/73/83/07/978738307.db2.gz QRYQNZGLIYLPPP-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM COC(=O)c1ccc2ccccc2c1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000776742562 978775174 /nfs/dbraw/zinc/77/51/74/978775174.db2.gz VKVIUJOMVWVAJN-UHFFFAOYSA-N -1 2 399.424 3.054 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCO3)c(Cl)cc1Cl ZINC000782263302 978792568 /nfs/dbraw/zinc/79/25/68/978792568.db2.gz XVMREOPWDWUPGM-UHFFFAOYSA-N -1 2 390.200 3.221 20 0 GGADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1C ZINC000790417485 978799484 /nfs/dbraw/zinc/79/94/84/978799484.db2.gz LACIOQIKZFVIPK-QMMMGPOBSA-N -1 2 389.836 3.454 20 0 GGADLM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cnoc1-c1ccccc1 ZINC000793414872 978808717 /nfs/dbraw/zinc/80/87/17/978808717.db2.gz HTRYXMQCKUDMIA-UHFFFAOYSA-N -1 2 376.365 3.288 20 0 GGADLM CCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000794762427 978819967 /nfs/dbraw/zinc/81/99/67/978819967.db2.gz NCQAPKUZKIEGIL-UHFFFAOYSA-N -1 2 395.408 3.118 20 0 GGADLM C[C@H](Cc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)o1)CC(C)(C)C ZINC001592912895 979882198 /nfs/dbraw/zinc/88/21/98/979882198.db2.gz OQXQMFFKOKSNEX-SECBINFHSA-N -1 2 387.483 3.245 20 0 GGADLM C[C@@H](Cc1nnc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)o1)CC(C)(C)C ZINC001592913184 979886305 /nfs/dbraw/zinc/88/63/05/979886305.db2.gz YJCWRENTDICIBE-LBPRGKRZSA-N -1 2 395.481 3.112 20 0 GGADLM CC[C@H](c1nnc(NS(=O)(=O)c2csc(C(=O)[O-])c2)o1)c1ccccc1 ZINC001595363676 980785140 /nfs/dbraw/zinc/78/51/40/980785140.db2.gz HSRQZCRXMVNZDZ-LBPRGKRZSA-N -1 2 393.446 3.172 20 0 GGADLM CC[C@@H](c1nnc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)o1)c1ccccc1 ZINC001595364009 980789090 /nfs/dbraw/zinc/78/90/90/980789090.db2.gz MOZRBQHISCEGMR-GFCCVEGCSA-N -1 2 393.446 3.172 20 0 GGADLM CC[C@H](c1nnc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)o1)c1ccccc1 ZINC001595364538 980795365 /nfs/dbraw/zinc/79/53/65/980795365.db2.gz XOPXPTVVKWGDPT-HNNXBMFYSA-N -1 2 387.417 3.111 20 0 GGADLM CC[C@@](C)(NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001594853093 982107198 /nfs/dbraw/zinc/10/71/98/982107198.db2.gz HIYVZGJVCRRLLQ-LLVKDONJSA-N -1 2 377.743 3.187 20 0 GGADLM CC[C@](C)(NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001594853094 982107309 /nfs/dbraw/zinc/10/73/09/982107309.db2.gz HIYVZGJVCRRLLQ-NSHDSACASA-N -1 2 377.743 3.187 20 0 GGADLM CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001595727600 982353815 /nfs/dbraw/zinc/35/38/15/982353815.db2.gz PTMVYOIVHMKSQY-UHFFFAOYSA-N -1 2 391.493 3.299 20 0 GGADLM CCCCc1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC001595799456 982613172 /nfs/dbraw/zinc/61/31/72/982613172.db2.gz RLURHWJMSPPEOR-UHFFFAOYSA-N -1 2 375.859 3.033 20 0 GGADLM CCCCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)o1 ZINC001595799575 982614624 /nfs/dbraw/zinc/61/46/24/982614624.db2.gz ZCWFJKPGNKUHLJ-UHFFFAOYSA-N -1 2 394.236 3.218 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001595890730 982920988 /nfs/dbraw/zinc/92/09/88/982920988.db2.gz AUNKKUOARNZVOB-VXGBXAGGSA-N -1 2 377.466 3.027 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595891461 982926111 /nfs/dbraw/zinc/92/61/11/982926111.db2.gz TWMBUGHGRVTGAA-UHFFFAOYSA-N -1 2 389.408 3.287 20 0 GGADLM CCCc1cnc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])s1 ZINC001596082009 983397101 /nfs/dbraw/zinc/39/71/01/983397101.db2.gz KDGNCMZHFMGWRS-UHFFFAOYSA-N -1 2 377.447 3.143 20 0 GGADLM CCN(C(=O)c1cc(Br)c(F)cc1O)c1ncc(C(=O)[O-])s1 ZINC001596161327 983525318 /nfs/dbraw/zinc/52/53/18/983525318.db2.gz SANJYSAGQOMLGW-UHFFFAOYSA-N -1 2 389.202 3.115 20 0 GGADLM Cc1[nH]c(C(=O)[C@H](C)S(=O)(=O)Cc2ccccc2Cl)c(C)c1C(=O)[O-] ZINC001599948115 985563517 /nfs/dbraw/zinc/56/35/17/985563517.db2.gz KWZOANNYVSODJI-NSHDSACASA-N -1 2 383.853 3.169 20 0 GGADLM Cc1[nH]c(C(=O)CS(=O)(=O)Cc2cccc3ccccc32)c(C)c1C(=O)[O-] ZINC001599948249 985565782 /nfs/dbraw/zinc/56/57/82/985565782.db2.gz XRXATOWGPSMYKV-UHFFFAOYSA-N -1 2 385.441 3.281 20 0 GGADLM Cc1[nH]c(C(O)=CS(=O)(=O)Cc2cccc3ccccc32)c(C)c1C(=O)[O-] ZINC001599948249 985565791 /nfs/dbraw/zinc/56/57/91/985565791.db2.gz XRXATOWGPSMYKV-UHFFFAOYSA-N -1 2 385.441 3.281 20 0 GGADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001599967645 985936331 /nfs/dbraw/zinc/93/63/31/985936331.db2.gz XINHODKOCWQFEP-UHFFFAOYSA-N -1 2 399.297 3.174 20 0 GGADLM CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)c1 ZINC001589283931 986017199 /nfs/dbraw/zinc/01/71/99/986017199.db2.gz OYMJFQCQZQQRLG-UHFFFAOYSA-N -1 2 389.216 3.090 20 0 GGADLM CCOc1ccc(C[C@H](CNC(=O)c2cc(F)cc(Cl)c2O)C(=O)[O-])cc1 ZINC001597089820 986674454 /nfs/dbraw/zinc/67/44/54/986674454.db2.gz YBOVWWCWSFEQRU-GFCCVEGCSA-N -1 2 395.814 3.257 20 0 GGADLM CCOc1ccc(C[C@@H](CNC(=O)c2cc(F)cc(Cl)c2O)C(=O)[O-])cc1 ZINC001597089821 986674790 /nfs/dbraw/zinc/67/47/90/986674790.db2.gz YBOVWWCWSFEQRU-LBPRGKRZSA-N -1 2 395.814 3.257 20 0 GGADLM CCOc1ccc2nc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)sc2c1 ZINC001597144490 986905398 /nfs/dbraw/zinc/90/53/98/986905398.db2.gz YDWDLGGHLAXERZ-UHFFFAOYSA-N -1 2 396.421 3.333 20 0 GGADLM CC(C)(C(=O)[O-])c1csc(NS(=O)(=O)c2cc(F)cc(Cl)c2)n1 ZINC001589657234 987629619 /nfs/dbraw/zinc/62/96/19/987629619.db2.gz VJNQWYUJDDUTRI-UHFFFAOYSA-N -1 2 378.834 3.099 20 0 GGADLM CCc1c(NS(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cnn1C(CC)CC ZINC001597419525 987723322 /nfs/dbraw/zinc/72/33/22/987723322.db2.gz BNZGPBUPVYGITA-UHFFFAOYSA-N -1 2 380.470 3.009 20 0 GGADLM CCc1c(NS(=O)(=O)c2cccc(Cl)c2C(=O)[O-])cnn1CC(C)C ZINC001597419592 987724364 /nfs/dbraw/zinc/72/43/64/987724364.db2.gz FKCMSLJLPOBGQA-UHFFFAOYSA-N -1 2 385.873 3.254 20 0 GGADLM CCc1c(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cnn1C(CC)CC ZINC001597419830 987728065 /nfs/dbraw/zinc/72/80/65/987728065.db2.gz LRQOXWCRMDAPSY-UHFFFAOYSA-N -1 2 383.445 3.445 20 0 GGADLM CC(C)(C)[C@@H]1CCc2nc(NS(=O)(=O)c3cncc(C(=O)[O-])c3)sc2C1 ZINC001589735931 987989254 /nfs/dbraw/zinc/98/92/54/987989254.db2.gz ZBZSIHXZLYMTLR-LLVKDONJSA-N -1 2 395.506 3.188 20 0 GGADLM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC001597591756 988415558 /nfs/dbraw/zinc/41/55/58/988415558.db2.gz HUPNSVSCPIPESM-UHFFFAOYSA-N -1 2 379.825 3.049 20 0 GGADLM CSc1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)cc1C(=O)[O-] ZINC001599819640 988489533 /nfs/dbraw/zinc/48/95/33/988489533.db2.gz ZXHIJOGQRPXBGX-UHFFFAOYSA-N -1 2 377.422 3.037 20 0 GGADLM CSc1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)[nH]n2)cc1C(=O)[O-] ZINC001599819640 988489540 /nfs/dbraw/zinc/48/95/40/988489540.db2.gz ZXHIJOGQRPXBGX-UHFFFAOYSA-N -1 2 377.422 3.037 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)c(F)c1 ZINC001597785508 989303909 /nfs/dbraw/zinc/30/39/09/989303909.db2.gz IMVFDGCGBQPQHU-UHFFFAOYSA-N -1 2 392.202 3.243 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC001597786204 989309572 /nfs/dbraw/zinc/30/95/72/989309572.db2.gz ZKAGKQVHYMQKRT-UHFFFAOYSA-N -1 2 387.417 3.106 20 0 GGADLM CCn1c(=O)c2ccc(C(=O)Nc3cc(C(=O)[O-])sc3C)cc2[nH]c1=S ZINC001597860301 989634244 /nfs/dbraw/zinc/63/42/44/989634244.db2.gz MGAMKADLEPBTDT-UHFFFAOYSA-N -1 2 389.458 3.026 20 0 GGADLM CCn1ncc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)cc21 ZINC001597962986 989997570 /nfs/dbraw/zinc/99/75/70/989997570.db2.gz QOTZNMWTBYOUMJ-UHFFFAOYSA-N -1 2 397.815 3.348 20 0 GGADLM CC(C)(C)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])[nH]n1 ZINC001590461612 990030434 /nfs/dbraw/zinc/03/04/34/990030434.db2.gz FUWFZEFISGXUET-UHFFFAOYSA-N -1 2 391.371 3.225 20 0 GGADLM CC(C)(C)c1nc(SCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)n[nH]1 ZINC001590545755 990184589 /nfs/dbraw/zinc/18/45/89/990184589.db2.gz MMLBVPJUCKCFCK-UHFFFAOYSA-N -1 2 394.522 3.472 20 0 GGADLM CC(C)(C)c1nc(NS(=O)(=O)c2cccc3cnccc32)sc1C(=O)[O-] ZINC001590545960 990186512 /nfs/dbraw/zinc/18/65/12/990186512.db2.gz XKHPGVRTIICBHY-UHFFFAOYSA-N -1 2 391.474 3.488 20 0 GGADLM CN(C(=O)c1cc(Br)c(F)cc1O)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598072986 990373581 /nfs/dbraw/zinc/37/35/81/990373581.db2.gz ICNWAPJXNYANNH-CQSZACIVSA-N -1 2 382.185 3.192 20 0 GGADLM CN(C(=O)c1cc(Br)c(F)cc1O)[C@H](C(=O)[O-])c1ccccc1 ZINC001598072982 990373843 /nfs/dbraw/zinc/37/38/43/990373843.db2.gz ICNWAPJXNYANNH-AWEZNQCLSA-N -1 2 382.185 3.192 20 0 GGADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001598537724 992860383 /nfs/dbraw/zinc/86/03/83/992860383.db2.gz KUVLTIMLMHBHKD-UHFFFAOYSA-N -1 2 386.433 3.078 20 0 GGADLM C[C@@](NC(=O)c1cc(Br)c(F)cc1O)(C(=O)[O-])c1ccccc1 ZINC001593147102 993950912 /nfs/dbraw/zinc/95/09/12/993950912.db2.gz ZKMYTMFVRPSIIV-INIZCTEOSA-N -1 2 382.185 3.024 20 0 GGADLM CC1(C)CCc2nc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2C1 ZINC001593916621 996819378 /nfs/dbraw/zinc/81/93/78/996819378.db2.gz SWFCRJXYSLCKHN-UHFFFAOYSA-N -1 2 384.454 3.296 20 0 GGADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cc1OC(C)C ZINC001599383371 996899408 /nfs/dbraw/zinc/89/94/08/996899408.db2.gz CIXAUFZKGIFQCW-UHFFFAOYSA-N -1 2 383.397 3.121 20 0 GGADLM COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001598915762 997462150 /nfs/dbraw/zinc/46/21/50/997462150.db2.gz JUPHQGOOOCCENR-RMKNXTFCSA-N -1 2 395.458 3.050 20 0 GGADLM COCCCCc1cccnc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001599224359 997729921 /nfs/dbraw/zinc/72/99/21/997729921.db2.gz VUTIKNDTNWHOQQ-UHFFFAOYSA-N -1 2 398.868 3.203 20 0 GGADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1c(C)noc1C1CC1 ZINC001599329992 997731595 /nfs/dbraw/zinc/73/15/95/997731595.db2.gz LQJQYSYDCHIMFR-UHFFFAOYSA-N -1 2 386.813 3.021 20 0 GGADLM COc1cc2c(cc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1)oc1ccccc12 ZINC001599464857 998340862 /nfs/dbraw/zinc/34/08/62/998340862.db2.gz JJMABMHEQVGFED-UHFFFAOYSA-N -1 2 398.396 3.489 20 0 GGADLM COCCOc1ccc(S(=O)(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1C ZINC001599259978 998368884 /nfs/dbraw/zinc/36/88/84/998368884.db2.gz KZHXPEGNBXVFAL-UHFFFAOYSA-N -1 2 399.490 3.198 20 0 GGADLM COC(=O)c1sccc1NS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001599024282 999005194 /nfs/dbraw/zinc/00/51/94/999005194.db2.gz ZECOIKJQCAOINH-UHFFFAOYSA-N -1 2 395.867 3.057 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(F)(F)F ZINC000012631380 206922875 /nfs/dbraw/zinc/92/28/75/206922875.db2.gz CBNWVFBQODNHCQ-UHFFFAOYSA-N -1 2 391.323 3.093 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)cc2)c1 ZINC000071887392 207548978 /nfs/dbraw/zinc/54/89/78/207548978.db2.gz MIKYYYFANAPWRL-UHFFFAOYSA-N -1 2 381.353 3.188 20 0 GGADLM CCOc1ccc2nc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)sc2c1 ZINC000012544781 564267953 /nfs/dbraw/zinc/26/79/53/564267953.db2.gz ZESODAZHQOUVMH-UHFFFAOYSA-N -1 2 378.431 3.194 20 0 GGADLM Cn1ccnc1Sc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000012647433 564269668 /nfs/dbraw/zinc/26/96/68/564269668.db2.gz VEPHOAGWXBAABY-UHFFFAOYSA-N -1 2 395.487 3.132 20 0 GGADLM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000023385464 564324243 /nfs/dbraw/zinc/32/42/43/564324243.db2.gz DBGNKBIJBGSGON-UHFFFAOYSA-N -1 2 385.825 3.165 20 0 GGADLM Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC000032086711 564395920 /nfs/dbraw/zinc/39/59/20/564395920.db2.gz SCMDLGPRUPYHEG-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)sc1C(=O)[O-] ZINC000042794520 564450442 /nfs/dbraw/zinc/45/04/42/564450442.db2.gz KMAUUPAJSPDVFV-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)sc1Br ZINC000123550989 564452487 /nfs/dbraw/zinc/45/24/87/564452487.db2.gz PHQPRZUHBBHXLA-UHFFFAOYSA-N -1 2 390.280 3.247 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)sc1C(=O)[O-] ZINC000045774691 564489067 /nfs/dbraw/zinc/48/90/67/564489067.db2.gz VRVKAXCUYHVIEW-UHFFFAOYSA-N -1 2 381.353 3.454 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000045946657 564491694 /nfs/dbraw/zinc/49/16/94/564491694.db2.gz PVRSFSHFINTHMI-UHFFFAOYSA-N -1 2 381.353 3.454 20 0 GGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000047202429 564515159 /nfs/dbraw/zinc/51/51/59/564515159.db2.gz CTSWACRKLJDPOE-UHFFFAOYSA-N -1 2 379.287 3.223 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)sc1C(=O)[O-] ZINC000048382670 564538618 /nfs/dbraw/zinc/53/86/18/564538618.db2.gz RQQPYEZPNVMODX-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2sccc2Br)ccc1F ZINC000048440948 564538969 /nfs/dbraw/zinc/53/89/69/564538969.db2.gz CDHZGSBSCPLLCK-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM Cc1c(NS(=O)(=O)c2ccc(Br)s2)cccc1C(=O)[O-] ZINC000048798351 564546374 /nfs/dbraw/zinc/54/63/74/564546374.db2.gz VXGMEJZGQHGNCW-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1c(NS(=O)(=O)c2sccc2Br)cccc1C(=O)[O-] ZINC000049061141 564548294 /nfs/dbraw/zinc/54/82/94/564548294.db2.gz HMKCAGGSPPEYQW-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2)sc1C(=O)[O-] ZINC000055587397 564625283 /nfs/dbraw/zinc/62/52/83/564625283.db2.gz IKJSLSJIHOUOAG-UHFFFAOYSA-N -1 2 395.380 3.497 20 0 GGADLM CC(=O)Nc1c(C)ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C ZINC000055674185 564629822 /nfs/dbraw/zinc/62/98/22/564629822.db2.gz CAYAMNKISPOUOP-UHFFFAOYSA-N -1 2 382.463 3.131 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccn(-c3ccccc3Cl)n2)cs1 ZINC000130396629 564678788 /nfs/dbraw/zinc/67/87/88/564678788.db2.gz HCWBUIDZXQMSQA-UHFFFAOYSA-N -1 2 383.838 3.086 20 0 GGADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC000058088319 564679434 /nfs/dbraw/zinc/67/94/34/564679434.db2.gz AWURERFTQKCLEO-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)c1 ZINC000058358261 564682195 /nfs/dbraw/zinc/68/21/95/564682195.db2.gz DYKOIWLFOREFNI-UHFFFAOYSA-N -1 2 376.415 3.434 20 0 GGADLM CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000063181168 564715121 /nfs/dbraw/zinc/71/51/21/564715121.db2.gz HMQKXRTYIIHQQP-UHFFFAOYSA-N -1 2 382.463 3.294 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)c[nH]1 ZINC000071092874 564856381 /nfs/dbraw/zinc/85/63/81/564856381.db2.gz BQTDPNNSUMSYLN-UHFFFAOYSA-N -1 2 398.746 3.108 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)sc1Br ZINC000149456543 564885725 /nfs/dbraw/zinc/88/57/25/564885725.db2.gz MCCIYFYBLZWCPN-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000154460273 565039924 /nfs/dbraw/zinc/03/99/24/565039924.db2.gz QQLVXEQOXQEFFR-UHFFFAOYSA-N -1 2 388.214 3.016 20 0 GGADLM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000114119549 565072526 /nfs/dbraw/zinc/07/25/26/565072526.db2.gz IJDTYCUPIQIOGE-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)c(C)c1C(=O)[O-] ZINC000156354732 565082983 /nfs/dbraw/zinc/08/29/83/565082983.db2.gz UZLDDBJIIMFYEK-UHFFFAOYSA-N -1 2 377.447 3.254 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2cc(F)ccc2F)ccc1Br ZINC000157131711 565120255 /nfs/dbraw/zinc/12/02/55/565120255.db2.gz ALBIJNOVTGETGM-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1 ZINC000159902634 565222244 /nfs/dbraw/zinc/22/22/44/565222244.db2.gz DEXBOAXOFVLMFF-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM Cc1cn2c([nH+]1)[C@H](CNC(=O)NCc1ccc(O)c(Br)c1)CCC2 ZINC000372251533 565228367 /nfs/dbraw/zinc/22/83/67/565228367.db2.gz KKQQABKEAJUQFZ-ZDUSSCGKSA-N -1 2 393.285 3.036 20 0 GGADLM Cc1cc(Br)c(S(=O)(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)s1 ZINC000296204941 565306652 /nfs/dbraw/zinc/30/66/52/565306652.db2.gz WDJYRSBUHCTOLQ-JTQLQIEISA-N -1 2 378.317 3.218 20 0 GGADLM CCOc1cc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)cc(Cl)c1O ZINC000297608150 565379114 /nfs/dbraw/zinc/37/91/14/565379114.db2.gz GIMGYSMSEJHJRM-UHFFFAOYSA-N -1 2 383.897 3.480 20 0 GGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000387915396 565550327 /nfs/dbraw/zinc/55/03/27/565550327.db2.gz SOPBOIHCPIELPG-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM Cc1cccc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1 ZINC000314369394 565586187 /nfs/dbraw/zinc/58/61/87/565586187.db2.gz OSHJHQPUKTYRLT-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)cc1 ZINC000314068275 565586392 /nfs/dbraw/zinc/58/63/92/565586392.db2.gz BSZDKEJPXFUKEI-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1Cl ZINC000324671071 565619077 /nfs/dbraw/zinc/61/90/77/565619077.db2.gz OAQPOBWUYVBMFT-UHFFFAOYSA-N -1 2 391.854 3.226 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)cs1 ZINC000324675309 565619503 /nfs/dbraw/zinc/61/95/03/565619503.db2.gz PKDQSWBTNPNOCL-UHFFFAOYSA-N -1 2 381.353 3.188 20 0 GGADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(F)(F)F)c1 ZINC000324926316 565620617 /nfs/dbraw/zinc/62/06/17/565620617.db2.gz VYLWQHUJEPYKAL-UHFFFAOYSA-N -1 2 381.353 3.275 20 0 GGADLM N#Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000326553205 565625281 /nfs/dbraw/zinc/62/52/81/565625281.db2.gz WZEGVQKLDLZTOO-UHFFFAOYSA-N -1 2 376.337 3.138 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCC(F)(F)F ZINC000327323848 565629440 /nfs/dbraw/zinc/62/94/40/565629440.db2.gz CVELZURNDDATEQ-UHFFFAOYSA-N -1 2 395.380 3.497 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c(F)c1 ZINC000327490907 565630322 /nfs/dbraw/zinc/63/03/22/565630322.db2.gz XZLGKLZTTACZJE-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000327429190 565630907 /nfs/dbraw/zinc/63/09/07/565630907.db2.gz OCHSXHYISKTOJP-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc(Br)c1F ZINC000410363467 565679525 /nfs/dbraw/zinc/67/95/25/565679525.db2.gz JAQKQYJKVPZIMB-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM COc1cc(NS(=O)(=O)c2ccc(Br)s2)ccc1C(=O)[O-] ZINC000227177932 565921777 /nfs/dbraw/zinc/92/17/77/565921777.db2.gz JOXYACFQWQVLIL-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM COc1cc(Cl)c(S(=O)(=O)Nc2ncsc2C(C)C)cc1C(=O)[O-] ZINC000288192355 566061941 /nfs/dbraw/zinc/06/19/41/566061941.db2.gz JZHDMTPBUJBFFE-UHFFFAOYSA-N -1 2 390.870 3.428 20 0 GGADLM CC(C)c1scnc1NS(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000288251537 566064239 /nfs/dbraw/zinc/06/42/39/566064239.db2.gz OXJZHNUVGQESPF-UHFFFAOYSA-N -1 2 382.463 3.115 20 0 GGADLM CC(C)c1scnc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000288345946 566069568 /nfs/dbraw/zinc/06/95/68/566069568.db2.gz WQINRZMACCQROS-UHFFFAOYSA-N -1 2 390.870 3.184 20 0 GGADLM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(F)F)n1 ZINC000446619424 566357749 /nfs/dbraw/zinc/35/77/49/566357749.db2.gz FTBLXZKIFULBLZ-UHFFFAOYSA-N -1 2 393.437 3.006 20 0 GGADLM COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1O ZINC000446627303 566359000 /nfs/dbraw/zinc/35/90/00/566359000.db2.gz ZUPDSIYBLQLUBK-UHFFFAOYSA-N -1 2 385.463 3.259 20 0 GGADLM CC(C)Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cn1 ZINC000446643913 566359315 /nfs/dbraw/zinc/35/93/15/566359315.db2.gz JGPRVPQQVOXYHH-UHFFFAOYSA-N -1 2 385.511 3.397 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cn(-c3ccccc3)nc2C)sc1C(=O)[O-] ZINC000510081539 566363549 /nfs/dbraw/zinc/36/35/49/566363549.db2.gz ABVNSTOLDKTIIK-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM COc1ccnc2c(NS(=O)(=O)c3cc(C(=O)[O-])sc3C)cccc12 ZINC000536609557 566388800 /nfs/dbraw/zinc/38/88/00/566388800.db2.gz HCKLILFCANBSHK-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM Cc1nc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)s1 ZINC000447399098 566409232 /nfs/dbraw/zinc/40/92/32/566409232.db2.gz UWNVEXNWGFIIOX-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM Cc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)nn1-c1ccccc1Cl ZINC000537395601 566443531 /nfs/dbraw/zinc/44/35/31/566443531.db2.gz WXUVYJXCFLKPFH-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnoc2-c2ccccc2)c(Cl)c1 ZINC000537395103 566443640 /nfs/dbraw/zinc/44/36/40/566443640.db2.gz RTMTXPDPVXCPMQ-UHFFFAOYSA-N -1 2 378.793 3.494 20 0 GGADLM COC(=O)c1sccc1S(=O)(=O)Nc1c(C(=O)[O-])cccc1C(C)C ZINC000511278460 566450729 /nfs/dbraw/zinc/45/07/29/566450729.db2.gz DYBPZHYVIBTXAT-UHFFFAOYSA-N -1 2 383.447 3.157 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000511347168 566456779 /nfs/dbraw/zinc/45/67/79/566456779.db2.gz WQECXPRLNXBNLU-UHFFFAOYSA-N -1 2 392.216 3.207 20 0 GGADLM Cc1ccsc1S(=O)(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000484946295 566465347 /nfs/dbraw/zinc/46/53/47/566465347.db2.gz MUHKOXCOLILACD-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000484959644 566466204 /nfs/dbraw/zinc/46/62/04/566466204.db2.gz ALTGYCSXONUCGB-UHFFFAOYSA-N -1 2 387.816 3.306 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)F)cs1 ZINC000538013091 566487438 /nfs/dbraw/zinc/48/74/38/566487438.db2.gz NLJXLKQIMMQBMK-UHFFFAOYSA-N -1 2 381.353 3.030 20 0 GGADLM COc1ccc(C)cc1NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485289590 566487461 /nfs/dbraw/zinc/48/74/61/566487461.db2.gz KNHLXKFRLLTQAL-UHFFFAOYSA-N -1 2 385.825 3.165 20 0 GGADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000485430454 566497613 /nfs/dbraw/zinc/49/76/13/566497613.db2.gz VQXVEOXMLIQPRF-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3C)n[nH]2)s1 ZINC000466292351 566562969 /nfs/dbraw/zinc/56/29/69/566562969.db2.gz ZNISUKNYKQLNLY-UHFFFAOYSA-N -1 2 377.447 3.254 20 0 GGADLM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cc(Cl)sc1Cl)OCO2 ZINC000673898928 566565578 /nfs/dbraw/zinc/56/55/78/566565578.db2.gz CILDZOHFEYRQGP-UHFFFAOYSA-N -1 2 396.229 3.283 20 0 GGADLM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1c(Cl)cccc1Cl)OCO2 ZINC000673901115 566565733 /nfs/dbraw/zinc/56/57/33/566565733.db2.gz QKRGTRPVJUAXRS-UHFFFAOYSA-N -1 2 390.200 3.221 20 0 GGADLM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000539194977 566566184 /nfs/dbraw/zinc/56/61/84/566566184.db2.gz XYSNECDKDJLVRG-UHFFFAOYSA-N -1 2 385.854 3.096 20 0 GGADLM COCn1nc(C)c(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)c1C ZINC000559961860 566580614 /nfs/dbraw/zinc/58/06/14/566580614.db2.gz LXYIFDYRYMRKTO-UHFFFAOYSA-N -1 2 386.886 3.168 20 0 GGADLM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000560006236 566582928 /nfs/dbraw/zinc/58/29/28/566582928.db2.gz LXIQQPVIROEBQZ-UHFFFAOYSA-N -1 2 383.706 3.395 20 0 GGADLM O=C([O-])CCOc1ccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000560013207 566585719 /nfs/dbraw/zinc/58/57/19/566585719.db2.gz UKAFJHYPCSTQNC-UHFFFAOYSA-N -1 2 391.779 3.273 20 0 GGADLM CCOC1(CS(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC000629294735 566637396 /nfs/dbraw/zinc/63/73/96/566637396.db2.gz ARKNLKKJDJSDHI-UHFFFAOYSA-N -1 2 384.281 3.026 20 0 GGADLM COc1cc(F)c(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c(F)c1 ZINC000675609883 566655724 /nfs/dbraw/zinc/65/57/24/566655724.db2.gz AGGHZKMPVQBLIN-UHFFFAOYSA-N -1 2 391.779 3.434 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000608005070 566689991 /nfs/dbraw/zinc/68/99/91/566689991.db2.gz JJFVFLHQTDJVOV-UHFFFAOYSA-N -1 2 381.353 3.280 20 0 GGADLM Cc1cc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n[nH]1 ZINC000468610483 566714609 /nfs/dbraw/zinc/71/46/09/566714609.db2.gz SROMUKZXVKSHNG-UHFFFAOYSA-N -1 2 379.419 3.071 20 0 GGADLM CCCCOc1ccc(OC)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000515634821 566724969 /nfs/dbraw/zinc/72/49/69/566724969.db2.gz PFXUFBXYFZMKPV-UHFFFAOYSA-N -1 2 385.463 3.435 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427131459 566750390 /nfs/dbraw/zinc/75/03/90/566750390.db2.gz RRZZORLUMCAMTK-UHFFFAOYSA-N -1 2 379.287 3.223 20 0 GGADLM COc1cc(S(=O)(=O)Nc2scnc2C(C)C)c(Cl)cc1C(=O)[O-] ZINC000451103792 566758511 /nfs/dbraw/zinc/75/85/11/566758511.db2.gz OMAAMWWSCNOITF-UHFFFAOYSA-N -1 2 390.870 3.428 20 0 GGADLM O=C([O-])c1ccccc1NS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000489316652 566781977 /nfs/dbraw/zinc/78/19/77/566781977.db2.gz VPCHJUAGGALYFY-UHFFFAOYSA-N -1 2 379.287 3.223 20 0 GGADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489573116 566796307 /nfs/dbraw/zinc/79/63/07/566796307.db2.gz IIRKAOZKTMAXTK-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2OCC(F)F)c(Cl)c1 ZINC000489589181 566798657 /nfs/dbraw/zinc/79/86/57/566798657.db2.gz UCICOECOIRVGOV-UHFFFAOYSA-N -1 2 391.779 3.483 20 0 GGADLM CCCn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C1CC1 ZINC000562540751 566799775 /nfs/dbraw/zinc/79/97/75/566799775.db2.gz KXDSLVGLEVKSFH-UHFFFAOYSA-N -1 2 383.857 3.323 20 0 GGADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC000542721121 566820058 /nfs/dbraw/zinc/82/00/58/566820058.db2.gz KDQZBGNJNNQHQX-UHFFFAOYSA-N -1 2 380.180 3.337 20 0 GGADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000471971277 566990441 /nfs/dbraw/zinc/99/04/41/566990441.db2.gz UMOFELCFYGHSFB-UHFFFAOYSA-N -1 2 377.752 3.131 20 0 GGADLM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc(Br)c1O ZINC000520737023 567022134 /nfs/dbraw/zinc/02/21/34/567022134.db2.gz QLPUVXRFWOCQOT-UHFFFAOYSA-N -1 2 394.250 3.137 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(Br)ccc2O)sc1C(=O)[O-] ZINC000494880834 567032033 /nfs/dbraw/zinc/03/20/33/567032033.db2.gz FFCGPXIZOYAGBG-UHFFFAOYSA-N -1 2 392.252 3.024 20 0 GGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)s1 ZINC000430978485 567044159 /nfs/dbraw/zinc/04/41/59/567044159.db2.gz OZAJVBFAEGCZLO-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)ccc1Cl ZINC000472785114 567050746 /nfs/dbraw/zinc/05/07/46/567050746.db2.gz GKAHLMWJUNFSQL-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM CC(C)O[C@@]1(CS(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)CCOC1 ZINC000634791143 567060267 /nfs/dbraw/zinc/06/02/67/567060267.db2.gz MOXUFPMSXCHQMR-AWEZNQCLSA-N -1 2 384.281 3.025 20 0 GGADLM CO[C@H]1CCOc2c(NS(=O)(=O)c3cc(C(=O)[O-])sc3C)cccc21 ZINC000565520444 567074265 /nfs/dbraw/zinc/07/42/65/567074265.db2.gz VFJIFUADYOZTKD-LBPRGKRZSA-N -1 2 383.447 3.026 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc(C(F)(F)F)c1 ZINC000683071828 567094396 /nfs/dbraw/zinc/09/43/96/567094396.db2.gz JSMAIYIIDSVIMS-UHFFFAOYSA-N -1 2 375.324 3.218 20 0 GGADLM Cc1cccc(NS(=O)(=O)c2cc(Br)ccc2F)c1C(=O)[O-] ZINC000522651333 567122490 /nfs/dbraw/zinc/12/24/90/567122490.db2.gz LAOSGBNJNOGMCT-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1ccn(-c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000522960261 567139744 /nfs/dbraw/zinc/13/97/44/567139744.db2.gz BMRVLELIPOHVFD-UHFFFAOYSA-N -1 2 383.838 3.086 20 0 GGADLM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC2CC2)c1 ZINC000683649831 567143799 /nfs/dbraw/zinc/14/37/99/567143799.db2.gz FTKVJLGUJCKDCX-UHFFFAOYSA-N -1 2 383.495 3.151 20 0 GGADLM Cc1ccnc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1 ZINC000524549433 567203470 /nfs/dbraw/zinc/20/34/70/567203470.db2.gz ADVBJFJUYNZASD-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)c1 ZINC000615959768 567215840 /nfs/dbraw/zinc/21/58/40/567215840.db2.gz XGXSORJSWCWJLY-UHFFFAOYSA-N -1 2 399.500 3.250 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cnn1CC(C)C ZINC000499271643 567234470 /nfs/dbraw/zinc/23/44/70/567234470.db2.gz ZLFPGRLDFXSLJG-UHFFFAOYSA-N -1 2 385.873 3.308 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cc2[nH]ncc21 ZINC000499299429 567236592 /nfs/dbraw/zinc/23/65/92/567236592.db2.gz IMJWNBVABPMRPY-UHFFFAOYSA-N -1 2 379.825 3.332 20 0 GGADLM O=C([O-])c1ccc(Cl)cc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000547870101 567251968 /nfs/dbraw/zinc/25/19/68/567251968.db2.gz YQASMVDRMVHZJR-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM COc1c(Cl)cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1Cl ZINC000433505313 567255903 /nfs/dbraw/zinc/25/59/03/567255903.db2.gz GOVSPDVCCVUWDY-UHFFFAOYSA-N -1 2 392.216 3.207 20 0 GGADLM Cc1nc(C)c(S(=O)(=O)Nc2ccc(Br)cc2C(=O)[O-])s1 ZINC000548197151 567289037 /nfs/dbraw/zinc/28/90/37/567289037.db2.gz WJTVEYDMYQWZEF-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000548267593 567302961 /nfs/dbraw/zinc/30/29/61/567302961.db2.gz MZKPYZHMERXNQU-LHLIQPBNSA-N -1 2 394.198 3.379 20 0 GGADLM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)[nH]n1 ZINC000435718139 567384536 /nfs/dbraw/zinc/38/45/36/567384536.db2.gz BFMYPIMUJFYLDL-UHFFFAOYSA-N -1 2 377.344 3.051 20 0 GGADLM Cc1cc(Br)c(O)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000477343916 567390098 /nfs/dbraw/zinc/39/00/98/567390098.db2.gz ZDRDRJHUEOOZPU-UHFFFAOYSA-N -1 2 392.252 3.024 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)ccc1F ZINC000436477658 567427133 /nfs/dbraw/zinc/42/71/33/567427133.db2.gz JRNACZXWRPDGPM-UHFFFAOYSA-N -1 2 379.287 3.049 20 0 GGADLM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(Br)ccc1O ZINC000436493897 567428666 /nfs/dbraw/zinc/42/86/66/567428666.db2.gz RJMQDSKRUIVFMZ-UHFFFAOYSA-N -1 2 390.262 3.271 20 0 GGADLM Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])c(O)c3)s2)cs1 ZINC000436528472 567431876 /nfs/dbraw/zinc/43/18/76/567431876.db2.gz XILGODBNKIDEQY-UHFFFAOYSA-N -1 2 396.471 3.385 20 0 GGADLM Cc1cc(Br)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)s1 ZINC000436640020 567439999 /nfs/dbraw/zinc/43/99/99/567439999.db2.gz NSFTXXCEOJYHFY-UHFFFAOYSA-N -1 2 392.252 3.024 20 0 GGADLM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436784073 567451308 /nfs/dbraw/zinc/45/13/08/567451308.db2.gz JZLQVTHMZLZNKV-UHFFFAOYSA-N -1 2 385.825 3.170 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1O ZINC000436974337 567470922 /nfs/dbraw/zinc/47/09/22/567470922.db2.gz YCBATWKASOLNNR-UHFFFAOYSA-N -1 2 380.180 3.337 20 0 GGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)c1 ZINC000436998311 567473477 /nfs/dbraw/zinc/47/34/77/567473477.db2.gz YNRVHLNCZILXPF-UHFFFAOYSA-N -1 2 376.415 3.015 20 0 GGADLM O=C([O-])c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1O ZINC000436995164 567474311 /nfs/dbraw/zinc/47/43/11/567474311.db2.gz PPJPVIAZXFTDJI-UHFFFAOYSA-N -1 2 379.287 3.049 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c(O)c1 ZINC000479216780 567516341 /nfs/dbraw/zinc/51/63/41/567516341.db2.gz ZHFJTNXGEJXXGD-UHFFFAOYSA-N -1 2 379.287 3.049 20 0 GGADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479242979 567517179 /nfs/dbraw/zinc/51/71/79/567517179.db2.gz KQKGMICOHFGNPM-UHFFFAOYSA-N -1 2 391.779 3.434 20 0 GGADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1C(=O)[O-] ZINC000479258794 567518552 /nfs/dbraw/zinc/51/85/52/567518552.db2.gz ZTNKAUMNKFFEJO-JTQLQIEISA-N -1 2 383.857 3.315 20 0 GGADLM CCCCn1ncc(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1C ZINC000479268631 567520619 /nfs/dbraw/zinc/52/06/19/567520619.db2.gz GYCBPULWPLWDOE-UHFFFAOYSA-N -1 2 385.873 3.452 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000479570230 567544430 /nfs/dbraw/zinc/54/44/30/567544430.db2.gz PAUOFNFXXSOSBM-UHFFFAOYSA-N -1 2 383.838 3.086 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)c(F)c1 ZINC000438771815 567545247 /nfs/dbraw/zinc/54/52/47/567545247.db2.gz LMVKXWPSUZZMFX-UHFFFAOYSA-N -1 2 379.287 3.065 20 0 GGADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)cc1F ZINC000505125945 567561823 /nfs/dbraw/zinc/56/18/23/567561823.db2.gz VUENLTYWAIYTPR-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480633440 567617645 /nfs/dbraw/zinc/61/76/45/567617645.db2.gz GAEPPMUNASPMRT-UHFFFAOYSA-N -1 2 392.380 3.321 20 0 GGADLM CCn1nc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cc1C1CC1 ZINC000530924870 567631206 /nfs/dbraw/zinc/63/12/06/567631206.db2.gz XEBVBIUQRJBMPM-UHFFFAOYSA-N -1 2 383.857 3.241 20 0 GGADLM O=S(=O)(NCC[N@@H+]1CCc2sccc2C1)c1cccc(Cl)c1Cl ZINC000507311616 567673960 /nfs/dbraw/zinc/67/39/60/567673960.db2.gz NNDAUGDMXRGLHZ-UHFFFAOYSA-N -1 2 391.345 3.392 20 0 GGADLM Cc1cc(Br)c(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)s1 ZINC000460439297 567689318 /nfs/dbraw/zinc/68/93/18/567689318.db2.gz XYMGSGXYUFGZSX-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM Cc1cc(Br)c(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])s1 ZINC000460458658 567689574 /nfs/dbraw/zinc/68/95/74/567689574.db2.gz LCPNSDNTBPOFIX-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2c(C)cccc2OC(F)F)sc1C(=O)[O-] ZINC000508018377 567723013 /nfs/dbraw/zinc/72/30/13/567723013.db2.gz MCTIYXYLWNGLIE-UHFFFAOYSA-N -1 2 377.390 3.465 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2C(=O)[O-])s1 ZINC000508034964 567723934 /nfs/dbraw/zinc/72/39/34/567723934.db2.gz LAHCNEXSGHLIDC-UHFFFAOYSA-N -1 2 398.531 3.109 20 0 GGADLM O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000461335054 567729941 /nfs/dbraw/zinc/72/99/41/567729941.db2.gz SMBXIIMJPGJZLV-UHFFFAOYSA-N -1 2 395.380 3.421 20 0 GGADLM NC(=O)c1ccc(C[N@H+](Cc2cc(O)ccc2Br)C2CC2)cc1 ZINC000508597244 567757100 /nfs/dbraw/zinc/75/71/00/567757100.db2.gz WXUGLFSAPCCMGJ-UHFFFAOYSA-N -1 2 375.266 3.418 20 0 GGADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccsc21 ZINC000443471517 567759655 /nfs/dbraw/zinc/75/96/55/567759655.db2.gz YXHIAEOZJBDOMZ-UHFFFAOYSA-N -1 2 377.443 3.338 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1F ZINC000533624714 567778750 /nfs/dbraw/zinc/77/87/50/567778750.db2.gz HPPOOQIXHWEMLQ-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533691140 567782087 /nfs/dbraw/zinc/78/20/87/567782087.db2.gz SBJLLDLCMFGFQF-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1C(F)F ZINC000534058657 567798597 /nfs/dbraw/zinc/79/85/97/567798597.db2.gz KRRBKIAZKUIORD-UHFFFAOYSA-N -1 2 379.410 3.037 20 0 GGADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)n[nH]2)s1 ZINC000444425957 567805960 /nfs/dbraw/zinc/80/59/60/567805960.db2.gz YOZXWTPVCCYERX-UHFFFAOYSA-N -1 2 377.447 3.254 20 0 GGADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)c1 ZINC000534332045 567807450 /nfs/dbraw/zinc/80/74/50/567807450.db2.gz KELKRBGUXSAJIQ-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM O=C([O-])Cc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000819626054 597315387 /nfs/dbraw/zinc/31/53/87/597315387.db2.gz BZUSHAVEURRDOA-UHFFFAOYSA-N -1 2 377.315 3.272 20 0 GGADLM Cc1[nH]c(C(=O)CS(=O)(=O)Cc2c(C)cc(C)cc2C)c(C)c1C(=O)[O-] ZINC000738227403 599705186 /nfs/dbraw/zinc/70/51/86/599705186.db2.gz ZFNRWXGVOHMILG-UHFFFAOYSA-N -1 2 377.462 3.053 20 0 GGADLM Cc1[nH]c(C(O)=CS(=O)(=O)Cc2c(C)cc(C)cc2C)c(C)c1C(=O)[O-] ZINC000738227403 599705189 /nfs/dbraw/zinc/70/51/89/599705189.db2.gz ZFNRWXGVOHMILG-UHFFFAOYSA-N -1 2 377.462 3.053 20 0 GGADLM CC(=C(O)c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1c(C)cc(C)cc1C ZINC000738355483 599705247 /nfs/dbraw/zinc/70/52/47/599705247.db2.gz JHBMFJWITBOUEQ-OAHLLOKOSA-N -1 2 391.489 3.441 20 0 GGADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2ccccc2c1 ZINC000737717225 599814520 /nfs/dbraw/zinc/81/45/20/599814520.db2.gz JDZIRWVKLCPQOP-UHFFFAOYSA-N -1 2 391.426 3.187 20 0 GGADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(C)C ZINC000737719287 599815028 /nfs/dbraw/zinc/81/50/28/599815028.db2.gz XIDUDEYQHICPCQ-UHFFFAOYSA-N -1 2 383.447 3.157 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OCc3ccncc3)cc2)c1 ZINC000591682706 599850857 /nfs/dbraw/zinc/85/08/57/599850857.db2.gz DJVHDNMCNHYTDB-UHFFFAOYSA-N -1 2 390.442 3.221 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cccc(Br)c2)sc1C(=O)[O-] ZINC000034957424 599876216 /nfs/dbraw/zinc/87/62/16/599876216.db2.gz VKNQFNTWAZHIMT-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1ccsc1Cn1nccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000738797969 599907553 /nfs/dbraw/zinc/90/75/53/599907553.db2.gz DVEUWTWDCORQAD-UHFFFAOYSA-N -1 2 391.474 3.109 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)n(-c2ccccc2F)n1 ZINC000738463434 599907898 /nfs/dbraw/zinc/90/78/98/599907898.db2.gz CGQFBMDLNZBJNQ-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OCc3cccnc3)cc2)c1 ZINC000728514762 599926149 /nfs/dbraw/zinc/92/61/49/599926149.db2.gz VNEXCIZLZDJWDK-UHFFFAOYSA-N -1 2 390.442 3.221 20 0 GGADLM COc1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c(OC)c1 ZINC000738041158 600051530 /nfs/dbraw/zinc/05/15/30/600051530.db2.gz XOGFTPSYKFQKEF-UHFFFAOYSA-N -1 2 393.442 3.418 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1C(=O)[O-] ZINC000738745985 600052090 /nfs/dbraw/zinc/05/20/90/600052090.db2.gz ALLLAGUPMNUNAA-UHFFFAOYSA-N -1 2 394.474 3.106 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)s1 ZINC000740187475 600052356 /nfs/dbraw/zinc/05/23/56/600052356.db2.gz NCTLUCLQUOJFKU-UHFFFAOYSA-N -1 2 394.377 3.274 20 0 GGADLM O=C([O-])Cc1csc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)n1 ZINC000738633897 600054179 /nfs/dbraw/zinc/05/41/79/600054179.db2.gz WCXLLPXZOBARTL-UHFFFAOYSA-N -1 2 388.426 3.470 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])n(-c2ccccc2C)n1 ZINC000738463754 600054273 /nfs/dbraw/zinc/05/42/73/600054273.db2.gz UUIGSGJLAICQLQ-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nc(COc3ccccc3)cs2)c1 ZINC000738688116 600054623 /nfs/dbraw/zinc/05/46/23/600054623.db2.gz DTFSCIPMUZDHGV-UHFFFAOYSA-N -1 2 390.442 3.221 20 0 GGADLM CC[C@@H]1CCc2nc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])sc2C1 ZINC000736940732 600054877 /nfs/dbraw/zinc/05/48/77/600054877.db2.gz TYQITTDYTLBEKO-SNVBAGLBSA-N -1 2 384.479 3.367 20 0 GGADLM Cc1cccc(Cn2nccc2NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000738720543 600055774 /nfs/dbraw/zinc/05/57/74/600055774.db2.gz CHKRCEDGGUCCIC-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)s1 ZINC000740187491 600056218 /nfs/dbraw/zinc/05/62/18/600056218.db2.gz OBEGCBRDBAYVEY-UHFFFAOYSA-N -1 2 380.472 3.294 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1 ZINC000740276973 600056260 /nfs/dbraw/zinc/05/62/60/600056260.db2.gz DOECDCGKONIDEQ-UHFFFAOYSA-N -1 2 398.462 3.434 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000738546137 600057155 /nfs/dbraw/zinc/05/71/55/600057155.db2.gz IBNNZTPMJLRVKT-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738903689 600095101 /nfs/dbraw/zinc/09/51/01/600095101.db2.gz YHKFVUOVEXAGCO-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM COc1cc2nc(C)sc2cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737910201 600099394 /nfs/dbraw/zinc/09/93/94/600099394.db2.gz WANVZMLMBZBOJL-UHFFFAOYSA-N -1 2 396.421 3.251 20 0 GGADLM CCCN1Cc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2C1 ZINC000737030945 600100305 /nfs/dbraw/zinc/10/03/05/600100305.db2.gz UMROVMCLUNMPHC-UHFFFAOYSA-N -1 2 378.425 3.050 20 0 GGADLM O=C([O-])Nc1cc(NS(=O)(=O)c2c(Cl)nc3ccccn32)ccc1F ZINC000740012423 600101539 /nfs/dbraw/zinc/10/15/39/600101539.db2.gz NOLFLVDTZYYQFY-UHFFFAOYSA-N -1 2 384.776 3.018 20 0 GGADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3cccc(Cl)c3C)nc2n1 ZINC000738345524 600102405 /nfs/dbraw/zinc/10/24/05/600102405.db2.gz LWQCFOPXGRHDLU-UHFFFAOYSA-N -1 2 397.865 3.461 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)s1 ZINC000740177124 600106032 /nfs/dbraw/zinc/10/60/32/600106032.db2.gz DQKHAXCCURAKHJ-UHFFFAOYSA-N -1 2 388.417 3.126 20 0 GGADLM CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000736848835 600231505 /nfs/dbraw/zinc/23/15/05/600231505.db2.gz YHTHCYPWTBZVOL-UHFFFAOYSA-N -1 2 398.387 3.121 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccn3)cc2)s1 ZINC000740187095 600258526 /nfs/dbraw/zinc/25/85/26/600258526.db2.gz GAAYZNOWTGINOL-UHFFFAOYSA-N -1 2 376.415 3.434 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)N[C@@H](c2ccccc2)C(F)(F)F)c(F)cc1F ZINC000740087603 600340928 /nfs/dbraw/zinc/34/09/28/600340928.db2.gz HWWWQUMGQMTULM-ZDUSSCGKSA-N -1 2 395.305 3.245 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)c1C(=O)[O-] ZINC000738746669 600577063 /nfs/dbraw/zinc/57/70/63/600577063.db2.gz JGJOZYJUUVDHCO-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(-c3nccc(C)n3)cc2)c1C(=O)[O-] ZINC000738792692 600613133 /nfs/dbraw/zinc/61/31/33/600613133.db2.gz PKEKFTCJJJTKCL-UHFFFAOYSA-N -1 2 387.417 3.161 20 0 GGADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cccnc2OCc2ccccc2)cc1 ZINC000673981808 600628869 /nfs/dbraw/zinc/62/88/69/600628869.db2.gz AFSGJEWXRIGEER-UHFFFAOYSA-N -1 2 398.440 3.089 20 0 GGADLM CC(C)(C)c1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n(C(C)(C)C)n1 ZINC000736293584 600629117 /nfs/dbraw/zinc/62/91/17/600629117.db2.gz CUGMDKDWKRFBDX-UHFFFAOYSA-N -1 2 393.509 3.364 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2Oc2cccnc2)c[nH]1 ZINC000833306000 600678500 /nfs/dbraw/zinc/67/85/00/600678500.db2.gz DAZVOUHGOSTTBC-UHFFFAOYSA-N -1 2 393.808 3.354 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)s1 ZINC000135476147 600687315 /nfs/dbraw/zinc/68/73/15/600687315.db2.gz USWMDCBVIUKBGY-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM O=C([O-])c1sccc1S(=O)(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000833347743 600689050 /nfs/dbraw/zinc/68/90/50/600689050.db2.gz DIIWKWYXUJTUDK-UHFFFAOYSA-N -1 2 397.865 3.145 20 0 GGADLM O=C([O-])c1sc2ccccc2c1CNC(=O)C1=NN(c2ccccc2)CC1=O ZINC000833143814 600705864 /nfs/dbraw/zinc/70/58/64/600705864.db2.gz AEHXSMRXYYONKZ-UHFFFAOYSA-N -1 2 393.424 3.421 20 0 GGADLM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(Br)c2O)c2ccccc21 ZINC000833219441 600762652 /nfs/dbraw/zinc/76/26/52/600762652.db2.gz LFYBIDUWHKSNNO-SNVBAGLBSA-N -1 2 376.206 3.373 20 0 GGADLM O=C([O-])C[C@H]1CN(C(=O)c2cccc(Br)c2O)c2ccccc21 ZINC000833219440 600762663 /nfs/dbraw/zinc/76/26/63/600762663.db2.gz LFYBIDUWHKSNNO-JTQLQIEISA-N -1 2 376.206 3.373 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2cccnc2OCc2ccccc2)cc1C(=O)[O-] ZINC000591683122 600816437 /nfs/dbraw/zinc/81/64/37/600816437.db2.gz NZXAQFYFGSDRTL-UHFFFAOYSA-N -1 2 398.440 3.468 20 0 GGADLM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2cccc(F)c2C)c1OC ZINC000831973027 600818221 /nfs/dbraw/zinc/81/82/21/600818221.db2.gz XJGBRSRLWHUBBX-BQYQJAHWSA-N -1 2 395.408 3.050 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(-c2ccccc2C)n1 ZINC000832899352 600827844 /nfs/dbraw/zinc/82/78/44/600827844.db2.gz IKSSUVSKVSOPCT-UHFFFAOYSA-N -1 2 385.445 3.297 20 0 GGADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)c1 ZINC000740075817 600892714 /nfs/dbraw/zinc/89/27/14/600892714.db2.gz PGOCWYZSXOXYOE-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])s3)cc2)nn1 ZINC000738649010 600898064 /nfs/dbraw/zinc/89/80/64/600898064.db2.gz JAGYZQFFFSOLPG-UHFFFAOYSA-N -1 2 391.430 3.138 20 0 GGADLM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1 ZINC000174729890 600899011 /nfs/dbraw/zinc/89/90/11/600899011.db2.gz ODEIXGODMLQUSW-UHFFFAOYSA-N -1 2 393.852 3.151 20 0 GGADLM Cc1nc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)sc1Cc1ccc(C)cc1 ZINC000832934317 600976601 /nfs/dbraw/zinc/97/66/01/600976601.db2.gz NXPMTGWTBJBGMM-UHFFFAOYSA-N -1 2 391.474 3.178 20 0 GGADLM Cc1ccc(Cc2cnc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)s2)cc1F ZINC000832934479 600976867 /nfs/dbraw/zinc/97/68/67/600976867.db2.gz PRJAMFCWYKCWBG-UHFFFAOYSA-N -1 2 395.437 3.009 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(COc3ccccc3)cs2)cs1 ZINC000833306129 600977179 /nfs/dbraw/zinc/97/71/79/600977179.db2.gz GDWWTCGESLHWNQ-UHFFFAOYSA-N -1 2 396.471 3.283 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cs1 ZINC000833306409 600978314 /nfs/dbraw/zinc/97/83/14/600978314.db2.gz QWFPXYKWKJDFQQ-UHFFFAOYSA-N -1 2 398.462 3.434 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ncc(Cc3ccccc3Cl)s2)c[nH]1 ZINC000833306420 600978402 /nfs/dbraw/zinc/97/84/02/600978402.db2.gz ROPBLOXYSMAEED-UHFFFAOYSA-N -1 2 397.865 3.214 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2Oc2ccncc2)cs1 ZINC000833306301 600982054 /nfs/dbraw/zinc/98/20/54/600982054.db2.gz NUIHWALGTSBXKA-UHFFFAOYSA-N -1 2 376.415 3.434 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(/C=C\c3ccccc3)cs2)c[nH]1 ZINC000833306423 600982999 /nfs/dbraw/zinc/98/29/99/600982999.db2.gz RQBNBVVTORQPLI-SREVYHEPSA-N -1 2 375.431 3.141 20 0 GGADLM CCc1cnc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000830298794 600985445 /nfs/dbraw/zinc/98/54/45/600985445.db2.gz FBJAHADOMQNTAE-UHFFFAOYSA-N -1 2 380.369 3.223 20 0 GGADLM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccnn1-c1ccccc1 ZINC000833317820 600988839 /nfs/dbraw/zinc/98/88/39/600988839.db2.gz JRSYBMDYLPHJIA-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000832919018 600988931 /nfs/dbraw/zinc/98/89/31/600988931.db2.gz ULROGLZNXDQHAA-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2cc(-c3ccccc3C)nn2C)c1C(=O)[O-] ZINC000832973905 600994973 /nfs/dbraw/zinc/99/49/73/600994973.db2.gz HADJIQPBDFAXAE-UHFFFAOYSA-N -1 2 389.433 3.104 20 0 GGADLM CCn1nc(C)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c1C ZINC000737312451 601051483 /nfs/dbraw/zinc/05/14/83/601051483.db2.gz PTFZITRHYUPTJU-UHFFFAOYSA-N -1 2 391.371 3.038 20 0 GGADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833011044 601321056 /nfs/dbraw/zinc/32/10/56/601321056.db2.gz CMENOEVZUDEHEV-JLHYYAGUSA-N -1 2 397.456 3.388 20 0 GGADLM CCCOc1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000048382746 601323973 /nfs/dbraw/zinc/32/39/73/601323973.db2.gz OQGPBRWUNMTDSK-UHFFFAOYSA-N -1 2 379.434 3.291 20 0 GGADLM CCCCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000055688568 601325662 /nfs/dbraw/zinc/32/56/62/601325662.db2.gz SCQWBDGAPBZEBA-UHFFFAOYSA-N -1 2 379.434 3.373 20 0 GGADLM CCOc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)sc2c1 ZINC000013059615 601356834 /nfs/dbraw/zinc/35/68/34/601356834.db2.gz AEYJNVBUTMZTGX-UHFFFAOYSA-N -1 2 378.431 3.194 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)cc1Br ZINC000035426999 601357382 /nfs/dbraw/zinc/35/73/82/601357382.db2.gz IEAZPMQYGUZTJF-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM COc1ccc2nc(NS(=O)(=O)c3ccc(/C=C\C(=O)[O-])cc3)sc2c1 ZINC000006009422 601357889 /nfs/dbraw/zinc/35/78/89/601357889.db2.gz RXBWQJICQUDGBK-WTKPLQERSA-N -1 2 390.442 3.204 20 0 GGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)c1C ZINC000832866571 601358828 /nfs/dbraw/zinc/35/88/28/601358828.db2.gz MKGWRQXLXRGZCI-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n(-c2ccccc2)n1 ZINC000832898811 601358915 /nfs/dbraw/zinc/35/89/15/601358915.db2.gz UMZJGQYBGLFVBR-UHFFFAOYSA-N -1 2 385.445 3.297 20 0 GGADLM Cc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)s1 ZINC000755979331 601485817 /nfs/dbraw/zinc/48/58/17/601485817.db2.gz ADWKRJCPAXHBOX-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM CCC(CC)c1nnc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000828870305 601501968 /nfs/dbraw/zinc/50/19/68/601501968.db2.gz NFYFMLXLMXVSKP-JXMROGBWSA-N -1 2 381.479 3.340 20 0 GGADLM CCCCCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000829373256 601502352 /nfs/dbraw/zinc/50/23/52/601502352.db2.gz ODQHBFBDCOAHJM-UHFFFAOYSA-N -1 2 389.886 3.423 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1nc(/C=C\c2ccccc2)cs1 ZINC000833346915 601769279 /nfs/dbraw/zinc/76/92/79/601769279.db2.gz WZVMTZDISUBAPR-SREVYHEPSA-N -1 2 393.471 3.269 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1nc(/C=C/c2ccccc2)cs1 ZINC000833346918 601769386 /nfs/dbraw/zinc/76/93/86/601769386.db2.gz WZVMTZDISUBAPR-VOTSOKGWSA-N -1 2 393.471 3.269 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000833346529 601769596 /nfs/dbraw/zinc/76/95/96/601769596.db2.gz RGAMSQQFULAGTA-UHFFFAOYSA-N -1 2 381.479 3.023 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2c(-c3ccco3)nc3ccccn32)c1 ZINC000833335005 601770476 /nfs/dbraw/zinc/77/04/76/601770476.db2.gz YMYQNZWWIVWIRT-UHFFFAOYSA-N -1 2 383.385 3.093 20 0 GGADLM COc1cc(Cl)ccc1S(=O)(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000391680495 601770842 /nfs/dbraw/zinc/77/08/42/601770842.db2.gz QGORTGYLPRTXCN-UHFFFAOYSA-N -1 2 390.870 3.013 20 0 GGADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000833230112 601771501 /nfs/dbraw/zinc/77/15/01/601771501.db2.gz YGRHITDBGGRNRB-UHFFFAOYSA-N -1 2 396.277 3.053 20 0 GGADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000321280297 601771834 /nfs/dbraw/zinc/77/18/34/601771834.db2.gz NHGKTHGPBKWOQQ-UHFFFAOYSA-N -1 2 378.834 3.144 20 0 GGADLM Cn1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1C(=O)[O-] ZINC000833050596 601784632 /nfs/dbraw/zinc/78/46/32/601784632.db2.gz IKAXZTDSLKARAU-UHFFFAOYSA-N -1 2 382.747 3.196 20 0 GGADLM CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2c[nH]c(C(=O)[O-])c2)C1 ZINC000829744771 601791108 /nfs/dbraw/zinc/79/11/08/601791108.db2.gz MMPKVIXIAGQMGV-NTUHNPAUSA-N -1 2 377.400 3.335 20 0 GGADLM CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2c[nH]c(C(=O)[O-])c2)C1 ZINC000829744771 601791110 /nfs/dbraw/zinc/79/11/10/601791110.db2.gz MMPKVIXIAGQMGV-NTUHNPAUSA-N -1 2 377.400 3.335 20 0 GGADLM CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000827054240 601839405 /nfs/dbraw/zinc/83/94/05/601839405.db2.gz FWZFWZKVXIYCJH-UHFFFAOYSA-N -1 2 388.804 3.160 20 0 GGADLM Cc1ccc(-c2ccncc2)cc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000832905972 601839788 /nfs/dbraw/zinc/83/97/88/601839788.db2.gz LQORXWCDVGWEKQ-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM COc1ccccc1-c1cccc(NS(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000832583373 601841252 /nfs/dbraw/zinc/84/12/52/601841252.db2.gz SVXHKTOXCLACMV-UHFFFAOYSA-N -1 2 390.442 3.318 20 0 GGADLM Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000832976595 601843721 /nfs/dbraw/zinc/84/37/21/601843721.db2.gz UAYXTQXLUJDLTD-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM CCCCCc1nnc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000829373040 601843792 /nfs/dbraw/zinc/84/37/92/601843792.db2.gz CRRYKZOEUHKMFB-UHFFFAOYSA-N -1 2 389.886 3.423 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC000832899364 601843962 /nfs/dbraw/zinc/84/39/62/601843962.db2.gz JGBVLVLKAJRYKE-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000833294229 601847591 /nfs/dbraw/zinc/84/75/91/601847591.db2.gz OCWYTUQPTONSMU-UHFFFAOYSA-N -1 2 392.433 3.372 20 0 GGADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1nnc(C2CCCCC2)s1 ZINC000833293799 601847935 /nfs/dbraw/zinc/84/79/35/601847935.db2.gz IYYRQFRHTZPHFJ-UHFFFAOYSA-N -1 2 385.442 3.224 20 0 GGADLM CC(C)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])[nH]n1 ZINC000827112973 601850892 /nfs/dbraw/zinc/85/08/92/601850892.db2.gz SBSKWSNKOWMADF-UHFFFAOYSA-N -1 2 377.344 3.051 20 0 GGADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)c1 ZINC000759680785 601853919 /nfs/dbraw/zinc/85/39/19/601853919.db2.gz RZQGDFSMHKZYKD-LBPRGKRZSA-N -1 2 397.836 3.007 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)cc1C(=O)[O-] ZINC000675284416 601854962 /nfs/dbraw/zinc/85/49/62/601854962.db2.gz BAEKRFBPNKVZTK-AWEZNQCLSA-N -1 2 385.445 3.300 20 0 GGADLM CCCOc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000470458234 601855113 /nfs/dbraw/zinc/85/51/13/601855113.db2.gz IDIKCYZJLRNXQO-UHFFFAOYSA-N -1 2 383.397 3.122 20 0 GGADLM Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(C)c(C(=O)[O-])s3)cc2F)c1 ZINC000832987063 601856906 /nfs/dbraw/zinc/85/69/06/601856906.db2.gz OJDIWQNGHBIHNY-UHFFFAOYSA-N -1 2 395.437 3.189 20 0 GGADLM CN(Cc1nc(=O)c2sccc2[nH]1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830879258 601901400 /nfs/dbraw/zinc/90/14/00/601901400.db2.gz ARSYPKTUHUBZJA-CYBMUJFWSA-N -1 2 383.351 3.072 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc(C2CCCCC2)nn1C ZINC000832852825 601964215 /nfs/dbraw/zinc/96/42/15/601964215.db2.gz LSZVHHQYTPVHCV-UHFFFAOYSA-N -1 2 377.466 3.275 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2cc(C3CCCCC3)nn2C)cc1C(=O)[O-] ZINC000832955773 601964323 /nfs/dbraw/zinc/96/43/23/601964323.db2.gz CPQQLTWFTJJIKO-UHFFFAOYSA-N -1 2 377.466 3.275 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2cc(C3CCCCC3)nn2C)c1C(=O)[O-] ZINC000832972917 601964481 /nfs/dbraw/zinc/96/44/81/601964481.db2.gz PXSBTIGTHBPQHD-UHFFFAOYSA-N -1 2 377.466 3.275 20 0 GGADLM Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833060252 601964898 /nfs/dbraw/zinc/96/48/98/601964898.db2.gz ZIZPGECIGJHVJH-UHFFFAOYSA-N -1 2 381.429 3.106 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2cc(CC3CCCCC3)n[nH]2)cc1C(=O)[O-] ZINC000832468955 602103096 /nfs/dbraw/zinc/10/30/96/602103096.db2.gz VZPNAUOKVAPWMG-UHFFFAOYSA-N -1 2 393.465 3.040 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2cc(CC3CCCCC3)n[nH]2)c1C(=O)[O-] ZINC000832973050 602103887 /nfs/dbraw/zinc/10/38/87/602103887.db2.gz UWIGIKRCQALBCW-UHFFFAOYSA-N -1 2 377.466 3.340 20 0 GGADLM O=C([O-])CCCc1nnc(NS(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000833232018 602105944 /nfs/dbraw/zinc/10/59/44/602105944.db2.gz IOUOAXNNKGDHSA-UHFFFAOYSA-N -1 2 396.277 3.053 20 0 GGADLM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])cs1 ZINC000829381405 602115237 /nfs/dbraw/zinc/11/52/37/602115237.db2.gz SGSNGJRAODVOCB-UHFFFAOYSA-N -1 2 396.490 3.119 20 0 GGADLM COc1ccc(Br)cc1S(=O)(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832153222 602117786 /nfs/dbraw/zinc/11/77/86/602117786.db2.gz XEKVHDUVDHRIIO-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM O=C([O-])COc1ccc(NS(=O)(=O)c2ccccc2F)c2ccccc12 ZINC000833259073 602124568 /nfs/dbraw/zinc/12/45/68/602124568.db2.gz HKUPSWNDRRHATK-UHFFFAOYSA-N -1 2 375.377 3.243 20 0 GGADLM Cc1cc(N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000832891180 602175885 /nfs/dbraw/zinc/17/58/85/602175885.db2.gz NEYKGZFVSSBNKF-GFCCVEGCSA-N -1 2 395.506 3.329 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(C)c(-c3ncco3)c2)c1C(=O)[O-] ZINC000832953033 602203271 /nfs/dbraw/zinc/20/32/71/602203271.db2.gz YZPRHYODASHNSM-UHFFFAOYSA-N -1 2 376.390 3.359 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1C(=O)[O-] ZINC000832956511 602306742 /nfs/dbraw/zinc/30/67/42/602306742.db2.gz JGOVKACNJKGZFW-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(CCc2ccccc2)n[nH]1 ZINC000832919384 602306784 /nfs/dbraw/zinc/30/67/84/602306784.db2.gz HJQIGPVPNTVPAD-UHFFFAOYSA-N -1 2 385.445 3.002 20 0 GGADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000833297431 602307274 /nfs/dbraw/zinc/30/72/74/602307274.db2.gz NUGOGTDGVNDFFM-UHFFFAOYSA-N -1 2 395.849 3.358 20 0 GGADLM Cc1ccn(-c2ccccc2NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000759170948 602309406 /nfs/dbraw/zinc/30/94/06/602309406.db2.gz BZMUNYNGPBCQSA-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OCC(F)F)c1 ZINC000761908613 602320124 /nfs/dbraw/zinc/32/01/24/602320124.db2.gz RSNHGWUHSBYIHS-UHFFFAOYSA-N -1 2 391.779 3.483 20 0 GGADLM Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)s2)c(C)c1 ZINC000832907495 604402657 /nfs/dbraw/zinc/40/26/57/604402657.db2.gz ABIXIDYWUNTUGA-UHFFFAOYSA-N -1 2 389.458 3.321 20 0 GGADLM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(F)cc(Cl)c2O)c(OC)c1 ZINC000833732611 604570247 /nfs/dbraw/zinc/57/02/47/604570247.db2.gz VXCJBDGMTLTJFW-CQSZACIVSA-N -1 2 397.786 3.148 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)c(Cl)cc1F ZINC000832904275 604624966 /nfs/dbraw/zinc/62/49/66/604624966.db2.gz DIMWSWRAIVWQIO-UHFFFAOYSA-N -1 2 378.834 3.062 20 0 GGADLM O=C([O-])CCc1csc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000833244046 604626119 /nfs/dbraw/zinc/62/61/19/604626119.db2.gz PSUQSPVEUCISAN-UHFFFAOYSA-N -1 2 381.262 3.268 20 0 GGADLM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2cc(C)cc(F)c2)c1OC ZINC000831972601 604642622 /nfs/dbraw/zinc/64/26/22/604642622.db2.gz MATMHXBTEVFDJO-SNAWJCMRSA-N -1 2 395.408 3.050 20 0 GGADLM CCC(=O)c1cccc(S(=O)(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)c1 ZINC000833636575 604759178 /nfs/dbraw/zinc/75/91/78/604759178.db2.gz WKVPLVOLVKWPOS-UHFFFAOYSA-N -1 2 380.447 3.112 20 0 GGADLM O=C([O-])COc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1Cl ZINC000833259077 604807139 /nfs/dbraw/zinc/80/71/39/604807139.db2.gz HKVMPEFOQOHVOQ-UHFFFAOYSA-N -1 2 395.742 3.022 20 0 GGADLM CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)s1 ZINC000833449368 604925165 /nfs/dbraw/zinc/92/51/65/604925165.db2.gz JPNFHHNHVIQOSD-UHFFFAOYSA-N -1 2 379.463 3.421 20 0 GGADLM Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000152695532 605009682 /nfs/dbraw/zinc/00/96/82/605009682.db2.gz DTZAHMJXBWCOHQ-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM O=C([O-])c1csc(NS(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000833343575 605010037 /nfs/dbraw/zinc/01/00/37/605010037.db2.gz IQLGUDRSXZCUEF-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000832909556 605010350 /nfs/dbraw/zinc/01/03/50/605010350.db2.gz ONCPTMAJVRLELD-UHFFFAOYSA-N -1 2 389.433 3.198 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C(C)C ZINC000499303454 605151313 /nfs/dbraw/zinc/15/13/13/605151313.db2.gz WKQHOUAIGWEEDR-UHFFFAOYSA-N -1 2 379.482 3.090 20 0 GGADLM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000833421871 605204184 /nfs/dbraw/zinc/20/41/84/605204184.db2.gz JIKTVMCXOXVUTH-UHFFFAOYSA-N -1 2 382.463 3.232 20 0 GGADLM CC(C)(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(F)(F)F ZINC000833426050 605298659 /nfs/dbraw/zinc/29/86/59/605298659.db2.gz ZBOYGLOBIFAANJ-SECBINFHSA-N -1 2 389.342 3.308 20 0 GGADLM Cc1sc(NS(=O)(=O)c2cncc(Br)c2)c(C(=O)[O-])c1C ZINC000833758011 605302872 /nfs/dbraw/zinc/30/28/72/605302872.db2.gz IAKJQLCOBAOFQI-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)ns2)cc1C(=O)[O-] ZINC000833751131 605447981 /nfs/dbraw/zinc/44/79/81/605447981.db2.gz PDKAPTBJCDGIPH-UHFFFAOYSA-N -1 2 381.460 3.074 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(NC(=O)C3CC3)ccc2C)sc1C(=O)[O-] ZINC000055595415 1407019201 /nfs/dbraw/zinc/01/92/01/1407019201.db2.gz KJUNMVWJKSZVBA-UHFFFAOYSA-N -1 2 394.474 3.212 20 0 GGADLM CC[C@H](C)C(=O)N[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000055617617 1407026611 /nfs/dbraw/zinc/02/66/11/1407026611.db2.gz LYVANRVQXIYQLD-ZETCQYMHSA-N -1 2 392.321 3.080 20 0 GGADLM CC[C@@H](C)C(=O)N[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000055617616 1407026395 /nfs/dbraw/zinc/02/63/95/1407026395.db2.gz LYVANRVQXIYQLD-SSDOTTSWSA-N -1 2 392.321 3.080 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)sc1C(=O)[O-] ZINC000055631505 1407030883 /nfs/dbraw/zinc/03/08/83/1407030883.db2.gz LKUXTBPRGQZCKS-AWEZNQCLSA-N -1 2 397.474 3.113 20 0 GGADLM CCOC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000042793648 1400416524 /nfs/dbraw/zinc/41/65/24/1400416524.db2.gz AHAXVICQCOQPKR-UHFFFAOYSA-N -1 2 384.435 3.124 20 0 GGADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2-n2cccn2)c1 ZINC000042793714 1400417133 /nfs/dbraw/zinc/41/71/33/1400417133.db2.gz CZQYYXBARHGQNC-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM CC(C)(C)c1nsc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000735654233 1426168643 /nfs/dbraw/zinc/16/86/43/1426168643.db2.gz CABVCYLRXRCLDI-UHFFFAOYSA-N -1 2 398.496 3.212 20 0 GGADLM CC(C)(C)c1nsc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000735654233 1426168650 /nfs/dbraw/zinc/16/86/50/1426168650.db2.gz CABVCYLRXRCLDI-UHFFFAOYSA-N -1 2 398.496 3.212 20 0 GGADLM COCCCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000057120958 1407524732 /nfs/dbraw/zinc/52/47/32/1407524732.db2.gz OOGCBIXOSSRIAQ-UHFFFAOYSA-N -1 2 399.852 3.254 20 0 GGADLM CCOC(=O)N(C)c1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000057122423 1407525461 /nfs/dbraw/zinc/52/54/61/1407525461.db2.gz VCTBSEGEUMHYIU-UHFFFAOYSA-N -1 2 398.462 3.148 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(F)cc(N3CCCC3)c2)c1 ZINC000078953809 1409946092 /nfs/dbraw/zinc/94/60/92/1409946092.db2.gz FJGXOTRUVSHQST-UHFFFAOYSA-N -1 2 382.388 3.064 20 0 GGADLM Cc1cc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000177435097 1428736171 /nfs/dbraw/zinc/73/61/71/1428736171.db2.gz IGLFIHWHYXQFTD-UHFFFAOYSA-N -1 2 392.337 3.079 20 0 GGADLM C[C@@H](NC(=O)c1c(O)cc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820386212 1429045941 /nfs/dbraw/zinc/04/59/41/1429045941.db2.gz YBWCUDQDQFWFTB-MRVPVSSYSA-N -1 2 378.219 3.370 20 0 GGADLM C[C@@H](NC(=O)c1c(O)cc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820386212 1429045951 /nfs/dbraw/zinc/04/59/51/1429045951.db2.gz YBWCUDQDQFWFTB-MRVPVSSYSA-N -1 2 378.219 3.370 20 0 GGADLM Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)c2C)o1 ZINC000135409630 1417216607 /nfs/dbraw/zinc/21/66/07/1417216607.db2.gz UZHRRXLPPSXMMP-UHFFFAOYSA-N -1 2 389.433 3.105 20 0 GGADLM Cc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000151474228 1417989220 /nfs/dbraw/zinc/98/92/20/1417989220.db2.gz YORMENYWMKFBAT-UHFFFAOYSA-N -1 2 398.728 3.257 20 0 GGADLM Cc1csc(-c2cccc(NC(=O)c3cc(C)c4c(=O)[nH]c(=O)nc-4[n-]3)c2)n1 ZINC000155649140 1423467255 /nfs/dbraw/zinc/46/72/55/1423467255.db2.gz RONIZGNOLUUCEV-UHFFFAOYSA-N -1 2 393.428 3.016 20 0 GGADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)cc1C(=O)[O-] ZINC000156299874 1423765430 /nfs/dbraw/zinc/76/54/30/1423765430.db2.gz ZYDDZTQVTLAFPU-UHFFFAOYSA-N -1 2 376.365 3.288 20 0 GGADLM C[C@H](NC(=O)Nc1nc(-c2ccccc2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380595 1424108559 /nfs/dbraw/zinc/10/85/59/1424108559.db2.gz XDAJPCFBRAPLAV-NSHDSACASA-N -1 2 392.448 3.268 20 0 GGADLM C[C@H](NC(=O)Nc1nc(-c2ccccc2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380595 1424108574 /nfs/dbraw/zinc/10/85/74/1424108574.db2.gz XDAJPCFBRAPLAV-NSHDSACASA-N -1 2 392.448 3.268 20 0 GGADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000160060466 1424569530 /nfs/dbraw/zinc/56/95/30/1424569530.db2.gz SIVMYGWKEOJIPF-UHFFFAOYSA-N -1 2 380.328 3.119 20 0 GGADLM CC(C)n1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)ccc2n1 ZINC000160193184 1424586154 /nfs/dbraw/zinc/58/61/54/1424586154.db2.gz PIIYALODRTWNOV-UHFFFAOYSA-N -1 2 395.387 3.394 20 0 GGADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 ZINC000160262971 1424591463 /nfs/dbraw/zinc/59/14/63/1424591463.db2.gz NVSIMQZYJFROAS-UHFFFAOYSA-N -1 2 394.355 3.482 20 0 GGADLM Cc1coc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)c2)n1 ZINC000160280215 1424592154 /nfs/dbraw/zinc/59/21/54/1424592154.db2.gz TWCXWIZFUYULSL-UHFFFAOYSA-N -1 2 394.355 3.427 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1-c1ncco1 ZINC000160296542 1424592688 /nfs/dbraw/zinc/59/26/88/1424592688.db2.gz RLHJZIWOFGHVGP-UHFFFAOYSA-N -1 2 394.355 3.427 20 0 GGADLM C[C@H](NC(=O)Nc1nncs1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824507427 1425018519 /nfs/dbraw/zinc/01/85/19/1425018519.db2.gz XIAKSAVROHHCIT-NSHDSACASA-N -1 2 392.448 3.268 20 0 GGADLM C[C@H](NC(=O)Nc1nncs1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824507427 1425018526 /nfs/dbraw/zinc/01/85/26/1425018526.db2.gz XIAKSAVROHHCIT-NSHDSACASA-N -1 2 392.448 3.268 20 0 GGADLM CCC(CC)c1nnc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000736351081 1425117796 /nfs/dbraw/zinc/11/77/96/1425117796.db2.gz QFBNMMMMERFENC-UHFFFAOYSA-N -1 2 390.448 3.083 20 0 GGADLM CCC(CC)c1nnc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000736351081 1425117801 /nfs/dbraw/zinc/11/78/01/1425117801.db2.gz QFBNMMMMERFENC-UHFFFAOYSA-N -1 2 390.448 3.083 20 0 GGADLM Cc1cscc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826321494 1425431264 /nfs/dbraw/zinc/43/12/64/1425431264.db2.gz GQNYTBLRIATLPF-UHFFFAOYSA-N -1 2 389.384 3.056 20 0 GGADLM Cc1cscc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826321494 1425431268 /nfs/dbraw/zinc/43/12/68/1425431268.db2.gz GQNYTBLRIATLPF-UHFFFAOYSA-N -1 2 389.384 3.056 20 0 GGADLM O=S(=O)(Nc1ncc(-c2nn[n-]n2)s1)c1ccc2oc3ccccc3c2c1 ZINC000823589161 1425610946 /nfs/dbraw/zinc/61/09/46/1425610946.db2.gz QOKAUHMZWZNXAU-UHFFFAOYSA-N -1 2 398.429 3.023 20 0 GGADLM O=S(=O)(Nc1ncc(-c2nnn[n-]2)s1)c1ccc2oc3ccccc3c2c1 ZINC000823589161 1425610949 /nfs/dbraw/zinc/61/09/49/1425610949.db2.gz QOKAUHMZWZNXAU-UHFFFAOYSA-N -1 2 398.429 3.023 20 0 GGADLM CC(Sc1ccccc1-c1nn[n-]n1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000736193786 1425850540 /nfs/dbraw/zinc/85/05/40/1425850540.db2.gz UAWDUQJSHMMFGQ-PGBBXINNSA-N -1 2 383.521 3.432 20 0 GGADLM C[C@@H](NC(=O)Cc1csc(-c2ccoc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334807 1426200778 /nfs/dbraw/zinc/20/07/78/1426200778.db2.gz QMCCAVYWZZHTCT-LLVKDONJSA-N -1 2 380.433 3.003 20 0 GGADLM O=S(=O)(Nc1cc(Cl)ccc1-c1nn[n-]n1)c1cccc2ccccc21 ZINC000826492477 1426568603 /nfs/dbraw/zinc/56/86/03/1426568603.db2.gz MVTAMJDNBJRFGU-UHFFFAOYSA-N -1 2 385.836 3.474 20 0 GGADLM O=S(=O)(Nc1cc(Cl)ccc1-c1nnn[n-]1)c1cccc2ccccc21 ZINC000826492477 1426568607 /nfs/dbraw/zinc/56/86/07/1426568607.db2.gz MVTAMJDNBJRFGU-UHFFFAOYSA-N -1 2 385.836 3.474 20 0 GGADLM O=S(=O)(Nc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493120 1426839663 /nfs/dbraw/zinc/83/96/63/1426839663.db2.gz USNNVUHNEWVFLQ-UHFFFAOYSA-N -1 2 385.836 3.474 20 0 GGADLM O=S(=O)(Nc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493120 1426839672 /nfs/dbraw/zinc/83/96/72/1426839672.db2.gz USNNVUHNEWVFLQ-UHFFFAOYSA-N -1 2 385.836 3.474 20 0 GGADLM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1nc(-c2ccccc2)ns1 ZINC000737946402 1427296143 /nfs/dbraw/zinc/29/61/43/1427296143.db2.gz DZQLUVWJEUDQTN-UHFFFAOYSA-N -1 2 395.473 3.116 20 0 GGADLM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1nc(-c2ccccc2)ns1 ZINC000737946402 1427296149 /nfs/dbraw/zinc/29/61/49/1427296149.db2.gz DZQLUVWJEUDQTN-UHFFFAOYSA-N -1 2 395.473 3.116 20 0 GGADLM Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826267416 1427378192 /nfs/dbraw/zinc/37/81/92/1427378192.db2.gz DYBPPZBGLYRLHX-UHFFFAOYSA-N -1 2 384.248 3.283 20 0 GGADLM CCCSc1nsc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821138889 1427486558 /nfs/dbraw/zinc/48/65/58/1427486558.db2.gz JITXBPMEDIQQDE-VIFPVBQESA-N -1 2 390.498 3.103 20 0 GGADLM CCCSc1nsc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821138889 1427486566 /nfs/dbraw/zinc/48/65/66/1427486566.db2.gz JITXBPMEDIQQDE-VIFPVBQESA-N -1 2 390.498 3.103 20 0 GGADLM CC[C@H](C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1ccccc1 ZINC000820841579 1427490060 /nfs/dbraw/zinc/49/00/60/1427490060.db2.gz ACICBKQYHVJCAG-KRWDZBQOSA-N -1 2 387.447 3.067 20 0 GGADLM CC[C@H](C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1ccccc1 ZINC000820841579 1427490071 /nfs/dbraw/zinc/49/00/71/1427490071.db2.gz ACICBKQYHVJCAG-KRWDZBQOSA-N -1 2 387.447 3.067 20 0 GGADLM O=S(=O)(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)ccc1Cl ZINC000826492541 1427727571 /nfs/dbraw/zinc/72/75/71/1427727571.db2.gz PUIYZALBBUJDKP-UHFFFAOYSA-N -1 2 388.211 3.113 20 0 GGADLM O=S(=O)(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)ccc1Cl ZINC000826492541 1427727575 /nfs/dbraw/zinc/72/75/75/1427727575.db2.gz PUIYZALBBUJDKP-UHFFFAOYSA-N -1 2 388.211 3.113 20 0 GGADLM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc(-c2ccc(F)cc2)ns1 ZINC000737804153 1427793460 /nfs/dbraw/zinc/79/34/60/1427793460.db2.gz YMEORQOZVJFGNR-JXMROGBWSA-N -1 2 393.407 3.176 20 0 GGADLM O=S(=O)(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000738341066 1429845034 /nfs/dbraw/zinc/84/50/34/1429845034.db2.gz DKLAFZWDADQKIE-UHFFFAOYSA-N -1 2 388.211 3.113 20 0 GGADLM O=S(=O)(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000738341066 1429845039 /nfs/dbraw/zinc/84/50/39/1429845039.db2.gz DKLAFZWDADQKIE-UHFFFAOYSA-N -1 2 388.211 3.113 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)sc1C(=O)[O-] ZINC000264631578 1434137264 /nfs/dbraw/zinc/13/72/64/1434137264.db2.gz LYADAWHVDCKEOY-UHFFFAOYSA-N -1 2 396.490 3.002 20 0 GGADLM Cc1cc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000267219674 1434414738 /nfs/dbraw/zinc/41/47/38/1434414738.db2.gz HUBKMFCVJHDQST-UHFFFAOYSA-N -1 2 384.367 3.067 20 0 GGADLM COC(=O)[C@]1(C)C[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C[C@H]1C ZINC000282959521 1435867731 /nfs/dbraw/zinc/86/77/31/1435867731.db2.gz ZOPVMJJCOKDXQD-NSPYISDASA-N -1 2 387.461 3.288 20 0 GGADLM CCCCCc1nnc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821062572 1441626342 /nfs/dbraw/zinc/62/63/42/1441626342.db2.gz YHUDDGKSCZFCPE-NSHDSACASA-N -1 2 386.485 3.334 20 0 GGADLM CCCCCc1nnc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821062572 1441626346 /nfs/dbraw/zinc/62/63/46/1441626346.db2.gz YHUDDGKSCZFCPE-NSHDSACASA-N -1 2 386.485 3.334 20 0 GGADLM O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1cc(-c2nnn[n-]2)cs1 ZINC000823375935 1442397551 /nfs/dbraw/zinc/39/75/51/1442397551.db2.gz QKJXTWDPHIASNV-UHFFFAOYSA-N -1 2 389.853 3.352 20 0 GGADLM O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1cc(-c2nn[n-]n2)cs1 ZINC000823375935 1442397555 /nfs/dbraw/zinc/39/75/55/1442397555.db2.gz QKJXTWDPHIASNV-UHFFFAOYSA-N -1 2 389.853 3.352 20 0 GGADLM Cc1c2cc(F)ccc2oc1S(=O)(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000822129630 1442473835 /nfs/dbraw/zinc/47/38/35/1442473835.db2.gz MVZGGJGDCOGYPF-UHFFFAOYSA-N -1 2 391.359 3.000 20 0 GGADLM Cc1c2cc(F)ccc2oc1S(=O)(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000822129630 1442473839 /nfs/dbraw/zinc/47/38/39/1442473839.db2.gz MVZGGJGDCOGYPF-UHFFFAOYSA-N -1 2 391.359 3.000 20 0 GGADLM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000823382876 1443438714 /nfs/dbraw/zinc/43/87/14/1443438714.db2.gz FWUOQACXGBBDDG-UHFFFAOYSA-N -1 2 389.853 3.352 20 0 GGADLM C[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820386213 1443526153 /nfs/dbraw/zinc/52/61/53/1443526153.db2.gz YBWCUDQDQFWFTB-QMMMGPOBSA-N -1 2 378.219 3.370 20 0 GGADLM C[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820386213 1443526155 /nfs/dbraw/zinc/52/61/55/1443526155.db2.gz YBWCUDQDQFWFTB-QMMMGPOBSA-N -1 2 378.219 3.370 20 0 GGADLM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000737223636 1443974916 /nfs/dbraw/zinc/97/49/16/1443974916.db2.gz ASEQEUASWZPWHE-UHFFFAOYSA-N -1 2 392.444 3.038 20 0 GGADLM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000737223636 1443974917 /nfs/dbraw/zinc/97/49/17/1443974917.db2.gz ASEQEUASWZPWHE-UHFFFAOYSA-N -1 2 392.444 3.038 20 0 GGADLM C[C@H](NC(=O)Nc1nnc(-c2ccsc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380443 1446647533 /nfs/dbraw/zinc/64/75/33/1446647533.db2.gz SSVVIIJTCBTCOT-VIFPVBQESA-N -1 2 398.477 3.329 20 0 GGADLM C[C@H](NC(=O)Nc1nnc(-c2ccsc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380443 1446647536 /nfs/dbraw/zinc/64/75/36/1446647536.db2.gz SSVVIIJTCBTCOT-VIFPVBQESA-N -1 2 398.477 3.329 20 0 GGADLM Cc1ccc2[nH]c(CNc3c(-c4nnn[n-]4)c[nH+]c4c(C)cc(C)cc34)nc2c1 ZINC000822275883 1449838089 /nfs/dbraw/zinc/83/80/89/1449838089.db2.gz ZCFLIYWKKVBJPJ-UHFFFAOYSA-N -1 2 384.447 3.250 20 0 GGADLM Cc1ccc2nc(CNc3c(-c4nnn[n-]4)c[nH+]c4c(C)cc(C)cc34)[nH]c2c1 ZINC000822275883 1449838094 /nfs/dbraw/zinc/83/80/94/1449838094.db2.gz ZCFLIYWKKVBJPJ-UHFFFAOYSA-N -1 2 384.447 3.250 20 0 GGADLM O=C([O-])c1sccc1S(=O)(=O)Nc1ccccc1OCC(F)(F)F ZINC000323881054 971050757 /nfs/dbraw/zinc/05/07/57/971050757.db2.gz KZYGQRJYIFKEMC-UHFFFAOYSA-N -1 2 381.353 3.188 20 0 GGADLM CCc1nc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)sc1C ZINC000324555538 971132418 /nfs/dbraw/zinc/13/24/18/971132418.db2.gz WWDTZHKQVBIZFQ-UHFFFAOYSA-N -1 2 390.870 3.175 20 0 GGADLM CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000326727720 971321418 /nfs/dbraw/zinc/32/14/18/971321418.db2.gz DIKLAEAFIROWKD-UHFFFAOYSA-N -1 2 382.463 3.232 20 0 GGADLM CC(C)(C)c1csc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n1 ZINC000326937877 971348105 /nfs/dbraw/zinc/34/81/05/971348105.db2.gz VEZBYZXQBKPNFX-UHFFFAOYSA-N -1 2 380.491 3.358 20 0 GGADLM CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000327059936 971362007 /nfs/dbraw/zinc/36/20/07/971362007.db2.gz ACKPZSLXRXMMKS-UHFFFAOYSA-N -1 2 383.447 3.041 20 0 GGADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000327497313 971403494 /nfs/dbraw/zinc/40/34/94/971403494.db2.gz AFHFIAJLVINACB-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM Cc1cscc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000387096121 972103730 /nfs/dbraw/zinc/10/37/30/972103730.db2.gz IGWSRWUTUKRZNU-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM CC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000013265057 957002401 /nfs/dbraw/zinc/00/24/01/957002401.db2.gz LQOVFXZHLWUSHD-UHFFFAOYSA-N -1 2 398.234 3.151 20 0 GGADLM O=C([O-])c1cc(Br)ccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000013342863 957029961 /nfs/dbraw/zinc/02/99/61/957029961.db2.gz RZHJZCSFNOPEND-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2cc(F)ccc2C)c1OC ZINC000013344450 957030744 /nfs/dbraw/zinc/03/07/44/957030744.db2.gz USANQGDKACAUJQ-FNORWQNLSA-N -1 2 395.408 3.050 20 0 GGADLM Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058478 957351319 /nfs/dbraw/zinc/35/13/19/957351319.db2.gz YAGKBPPGFXOXEC-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])c1ccccc1CNC(=O)c1cc(Cl)cc(Br)c1O ZINC001574815298 957886554 /nfs/dbraw/zinc/88/65/54/957886554.db2.gz OZTXAMQWWSFVBX-UHFFFAOYSA-N -1 2 384.613 3.436 20 0 GGADLM COc1ccc(-c2cc3[nH]c(CN4CCC[C@]4(C)C(=O)[O-])nc(=O)c3s2)cc1 ZINC001594071283 958186574 /nfs/dbraw/zinc/18/65/74/958186574.db2.gz PTFGHTXFCUVREX-HXUWFJFHSA-N -1 2 399.472 3.099 20 0 GGADLM Cc1ccc(Br)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000097393662 958347860 /nfs/dbraw/zinc/34/78/60/958347860.db2.gz CIMPRIGOXBIIKR-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])sc1Br ZINC000126251400 958584272 /nfs/dbraw/zinc/58/42/72/958584272.db2.gz RMODGCSIQXFMFN-UHFFFAOYSA-N -1 2 382.282 3.380 20 0 GGADLM Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1ccccc1Br ZINC000128311147 958655469 /nfs/dbraw/zinc/65/54/69/958655469.db2.gz BYGSMXAEOONNFC-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1-c1ccccc1 ZINC000152595179 959039397 /nfs/dbraw/zinc/03/93/97/959039397.db2.gz XDADIFGSMIDWBZ-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000181787764 959440938 /nfs/dbraw/zinc/44/09/38/959440938.db2.gz DGXXZFAWCDRLQQ-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000187724876 959507237 /nfs/dbraw/zinc/50/72/37/959507237.db2.gz ZLLYHWRHANNQGK-QMMMGPOBSA-N -1 2 387.820 3.146 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(-c2cccc(C)c2)n1 ZINC001184664867 960514360 /nfs/dbraw/zinc/51/43/60/960514360.db2.gz WCAYNGIZEXSVEQ-UHFFFAOYSA-N -1 2 385.445 3.297 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2csc(-c3ccncc3)n2)cc1C(=O)[O-] ZINC001184670442 960514646 /nfs/dbraw/zinc/51/46/46/960514646.db2.gz PDNPDWWJRMZYAF-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccnc2C(F)(F)F)c(F)cc1Cl ZINC001259213763 960667547 /nfs/dbraw/zinc/66/75/47/960667547.db2.gz LEACTLNZSNPZIX-UHFFFAOYSA-N -1 2 398.721 3.392 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-n3ccnc3)c2)c(F)cc1Cl ZINC001259219324 960676574 /nfs/dbraw/zinc/67/65/74/960676574.db2.gz XKBWBQUXOQGDDX-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3nnco3)c2)c(F)cc1Cl ZINC001259218932 960676906 /nfs/dbraw/zinc/67/69/06/960676906.db2.gz NQQNAHQUWYPAOH-UHFFFAOYSA-N -1 2 397.771 3.028 20 0 GGADLM COc1cc(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259220274 960678870 /nfs/dbraw/zinc/67/88/70/960678870.db2.gz AHJXDWUCMVUPAF-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM Cn1ccc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)cc21 ZINC001259220737 960679793 /nfs/dbraw/zinc/67/97/93/960679793.db2.gz RNAFYHSAQGLMBE-UHFFFAOYSA-N -1 2 382.800 3.470 20 0 GGADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2c(F)cccc2Br)c1 ZINC001319185055 960923443 /nfs/dbraw/zinc/92/34/43/960923443.db2.gz RPJIZHFWQNOPRB-UHFFFAOYSA-N -1 2 388.214 3.016 20 0 GGADLM CC(C)C[C@@H](CNC(=O)c1cc(Cl)cc(Br)c1O)C(=O)[O-] ZINC001588854856 961964388 /nfs/dbraw/zinc/96/43/88/961964388.db2.gz NKPAHUUFFCZDIR-QMMMGPOBSA-N -1 2 378.650 3.285 20 0 GGADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2cnc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC001342424981 962147002 /nfs/dbraw/zinc/14/70/02/962147002.db2.gz NKAOODVHEFWYTM-VIFPVBQESA-N -1 2 389.260 3.452 20 0 GGADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000276048111 962843184 /nfs/dbraw/zinc/84/31/84/962843184.db2.gz OKPJNRUWBRUPHE-UHFFFAOYSA-N -1 2 397.474 3.006 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cnn1-c1ccccc1 ZINC000435131835 974096657 /nfs/dbraw/zinc/09/66/57/974096657.db2.gz TVASPHULUOLVRZ-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1ccnc(-c2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2)n1 ZINC000438780322 974102321 /nfs/dbraw/zinc/10/23/21/974102321.db2.gz QWPVTOBLAPHOBF-UHFFFAOYSA-N -1 2 387.392 3.090 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)nc2)c(F)c1 ZINC000438773396 974102363 /nfs/dbraw/zinc/10/23/63/974102363.db2.gz RYPUORUWRIFPEX-UHFFFAOYSA-N -1 2 380.397 3.041 20 0 GGADLM CCc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c(C(=O)[O-])c1 ZINC000460842339 974183721 /nfs/dbraw/zinc/18/37/21/974183721.db2.gz YOTOZGVPKWGSRW-UHFFFAOYSA-N -1 2 389.408 3.073 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000467761838 974191854 /nfs/dbraw/zinc/19/18/54/974191854.db2.gz FHCUTCZLIXIHLY-UHFFFAOYSA-N -1 2 393.339 3.337 20 0 GGADLM CCCCn1ncc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C(C)C ZINC000480200088 974219305 /nfs/dbraw/zinc/21/93/05/974219305.db2.gz MGIHXYPWMXSHFN-UHFFFAOYSA-N -1 2 383.445 3.445 20 0 GGADLM Cc1cc(C)cc(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)[nH]n2)c1 ZINC000489573163 974251206 /nfs/dbraw/zinc/25/12/06/974251206.db2.gz ILLVMYQXGQBJPP-UHFFFAOYSA-N -1 2 389.408 3.332 20 0 GGADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1)C(=O)[O-] ZINC000489404425 974251288 /nfs/dbraw/zinc/25/12/88/974251288.db2.gz FSCJQKGLDGUTIJ-JTQLQIEISA-N -1 2 388.367 3.164 20 0 GGADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000544646579 974421880 /nfs/dbraw/zinc/42/18/80/974421880.db2.gz LNZRCBNXFIIXBU-UHFFFAOYSA-N -1 2 399.297 3.174 20 0 GGADLM COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c2ncccc12 ZINC000546022437 974428359 /nfs/dbraw/zinc/42/83/59/974428359.db2.gz KXMXYDYASPMEFW-UHFFFAOYSA-N -1 2 392.820 3.396 20 0 GGADLM Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(C2CCCCC2)n1 ZINC000565933292 974591582 /nfs/dbraw/zinc/59/15/82/974591582.db2.gz JSDUUEUDBNVAFB-UHFFFAOYSA-N -1 2 381.429 3.106 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC000570121333 974705232 /nfs/dbraw/zinc/70/52/32/974705232.db2.gz CQHMVZUGDWCWGT-VIFPVBQESA-N -1 2 393.339 3.417 20 0 GGADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000580236808 974891893 /nfs/dbraw/zinc/89/18/93/974891893.db2.gz NQEZPAVNWPVZBF-UHFFFAOYSA-N -1 2 389.408 3.034 20 0 GGADLM CCCCn1ncc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C(C)C ZINC000584145339 974950437 /nfs/dbraw/zinc/95/04/37/974950437.db2.gz UGKMUJKMHZIIHG-UHFFFAOYSA-N -1 2 379.482 3.235 20 0 GGADLM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1 ZINC001591769739 975896356 /nfs/dbraw/zinc/89/63/56/975896356.db2.gz YIWCVZFBODQEFC-UHFFFAOYSA-N -1 2 389.408 3.103 20 0 GGADLM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC001591769739 975896366 /nfs/dbraw/zinc/89/63/66/975896366.db2.gz YIWCVZFBODQEFC-UHFFFAOYSA-N -1 2 389.408 3.103 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(cnn3C(F)F)c2)c(F)c1 ZINC000676560237 976030196 /nfs/dbraw/zinc/03/01/96/976030196.db2.gz WVEXUFHKWQXAFO-UHFFFAOYSA-N -1 2 385.323 3.070 20 0 GGADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cnn1CC(C)C ZINC000677417864 976031770 /nfs/dbraw/zinc/03/17/70/976031770.db2.gz WMCVLZJPYDAFND-UHFFFAOYSA-N -1 2 383.445 3.048 20 0 GGADLM CC(C)c1sc(NS(=O)(=O)c2cccnc2C(F)(F)F)nc1C(=O)[O-] ZINC001592116617 976916207 /nfs/dbraw/zinc/91/62/07/976916207.db2.gz CCZRMNQFBQNTHV-UHFFFAOYSA-N -1 2 395.384 3.179 20 0 GGADLM C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001592181018 977099370 /nfs/dbraw/zinc/09/93/70/977099370.db2.gz HVIZYOGMANXQNC-QMMMGPOBSA-N -1 2 387.820 3.146 20 0 GGADLM C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001592181017 977099593 /nfs/dbraw/zinc/09/95/93/977099593.db2.gz HVIZYOGMANXQNC-MRVPVSSYSA-N -1 2 387.820 3.146 20 0 GGADLM CCc1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)c(C(=O)[O-])c1 ZINC000732951395 978300615 /nfs/dbraw/zinc/30/06/15/978300615.db2.gz KGYGIJQTTATWTF-UHFFFAOYSA-N -1 2 375.233 3.450 20 0 GGADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(F)(F)F)c1 ZINC000745978560 978679977 /nfs/dbraw/zinc/67/99/77/978679977.db2.gz XOANKQZPXLUZMR-UHFFFAOYSA-N -1 2 393.314 3.352 20 0 GGADLM CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000746054673 978680490 /nfs/dbraw/zinc/68/04/90/978680490.db2.gz XUERKGDIECCPRQ-UHFFFAOYSA-N -1 2 381.406 3.044 20 0 GGADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000776503040 978750695 /nfs/dbraw/zinc/75/06/95/978750695.db2.gz LDLNPCZTXZUPDG-UHFFFAOYSA-N -1 2 379.825 3.104 20 0 GGADLM CO[C@H]1CCOc2c(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cccc21 ZINC000790349780 978799060 /nfs/dbraw/zinc/79/90/60/978799060.db2.gz YWYANUPLWHHGKM-AWEZNQCLSA-N -1 2 397.836 3.309 20 0 GGADLM CO[C@@H]1CCOc2c(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cccc21 ZINC000790349782 978799470 /nfs/dbraw/zinc/79/94/70/978799470.db2.gz YWYANUPLWHHGKM-CQSZACIVSA-N -1 2 397.836 3.309 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cnc1Cl ZINC000799124955 978836163 /nfs/dbraw/zinc/83/61/63/978836163.db2.gz CKUUSKFYCALWFJ-UHFFFAOYSA-N -1 2 384.841 3.330 20 0 GGADLM CCn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C(F)(F)F ZINC000799128966 978837026 /nfs/dbraw/zinc/83/70/26/978837026.db2.gz VZBBMOABVXDAPZ-UHFFFAOYSA-N -1 2 397.762 3.074 20 0 GGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc([C@H]3CCOC3)cc2)c1F ZINC000830009311 979010818 /nfs/dbraw/zinc/01/08/18/979010818.db2.gz XPFDYUCLJKVWHC-ZDUSSCGKSA-N -1 2 379.409 3.137 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccccc2)s1 ZINC000832918587 979056043 /nfs/dbraw/zinc/05/60/43/979056043.db2.gz NAXVYHAMNJVLGK-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM CCC[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2C1 ZINC001595581447 981524017 /nfs/dbraw/zinc/52/40/17/981524017.db2.gz WFLMRLPRFYBNIS-GFCCVEGCSA-N -1 2 378.450 3.283 20 0 GGADLM CCC[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2C1 ZINC001595581447 981524020 /nfs/dbraw/zinc/52/40/20/981524020.db2.gz WFLMRLPRFYBNIS-GFCCVEGCSA-N -1 2 378.450 3.283 20 0 GGADLM CCC[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2C1 ZINC001595581448 981524049 /nfs/dbraw/zinc/52/40/49/981524049.db2.gz WFLMRLPRFYBNIS-LBPRGKRZSA-N -1 2 378.450 3.283 20 0 GGADLM CCC[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2C1 ZINC001595581448 981524053 /nfs/dbraw/zinc/52/40/53/981524053.db2.gz WFLMRLPRFYBNIS-LBPRGKRZSA-N -1 2 378.450 3.283 20 0 GGADLM CC[C@H](C)[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001594922038 982473727 /nfs/dbraw/zinc/47/37/27/982473727.db2.gz WFDJOLKXWMSEEV-KGFZYKRKSA-N -1 2 391.770 3.433 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001595890729 982920980 /nfs/dbraw/zinc/92/09/80/982920980.db2.gz AUNKKUOARNZVOB-RYUDHWBXSA-N -1 2 377.466 3.027 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001595890799 982922265 /nfs/dbraw/zinc/92/22/65/982922265.db2.gz FHEUQAJVSANDFJ-UHFFFAOYSA-N -1 2 388.449 3.092 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001595891503 982926223 /nfs/dbraw/zinc/92/62/23/982926223.db2.gz VJRXTXICOUPCSR-UHFFFAOYSA-N -1 2 389.437 3.176 20 0 GGADLM CCCn1ncc(NS(=O)(=O)c2cccc(Cl)c2C(=O)[O-])c1C1CC1 ZINC001596120293 983453985 /nfs/dbraw/zinc/45/39/85/983453985.db2.gz HYRAPTOYGUNEFA-UHFFFAOYSA-N -1 2 383.857 3.323 20 0 GGADLM CC(=C(O)c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC001599948759 985573077 /nfs/dbraw/zinc/57/30/77/985573077.db2.gz RVOBXFCMEONLSV-RISCZKNCSA-N -1 2 377.462 3.119 20 0 GGADLM CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1C ZINC001589291065 986033815 /nfs/dbraw/zinc/03/38/15/986033815.db2.gz PCBHMDHNHQSTNY-UHFFFAOYSA-N -1 2 385.800 3.489 20 0 GGADLM CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC001594710562 987170802 /nfs/dbraw/zinc/17/08/02/987170802.db2.gz PEUBTZMXGKGDOD-UHFFFAOYSA-N -1 2 380.422 3.052 20 0 GGADLM CCc1c(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cnn1CC(C)C ZINC001597420133 987731552 /nfs/dbraw/zinc/73/15/52/987731552.db2.gz WNONZZHOAKYCLZ-JXMROGBWSA-N -1 2 377.466 3.000 20 0 GGADLM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC001589693856 987770409 /nfs/dbraw/zinc/77/04/09/987770409.db2.gz GTEBKJVGAMKNME-UHFFFAOYSA-N -1 2 382.463 3.232 20 0 GGADLM CCc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1CC ZINC001597562067 988302829 /nfs/dbraw/zinc/30/28/29/988302829.db2.gz JTHOKTVBDAEGRP-UHFFFAOYSA-N -1 2 382.507 3.431 20 0 GGADLM CCc1nc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)sc1C(=O)[O-] ZINC001597685586 988838159 /nfs/dbraw/zinc/83/81/59/988838159.db2.gz SJUKMBAQQDNBOK-UHFFFAOYSA-N -1 2 386.398 3.285 20 0 GGADLM CCc1noc2ncc(S(=O)(=O)Nc3c(C(=O)[O-])ccc4ccccc43)cc12 ZINC001597754306 989156509 /nfs/dbraw/zinc/15/65/09/989156509.db2.gz GUIQPFQQZRWQBR-UHFFFAOYSA-N -1 2 397.412 3.437 20 0 GGADLM CC(C)(C)c1coc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)n1 ZINC001590527321 990142654 /nfs/dbraw/zinc/14/26/54/990142654.db2.gz YMKVTTLUVBRGBG-UHFFFAOYSA-N -1 2 376.793 3.264 20 0 GGADLM CC(C)(C)c1nc(NS(=O)(=O)c2ccc(F)c(F)c2)sc1C(=O)[O-] ZINC001590545865 990185523 /nfs/dbraw/zinc/18/55/23/990185523.db2.gz SEZWMGGLSJJWER-UHFFFAOYSA-N -1 2 376.406 3.218 20 0 GGADLM CN(C(=O)c1cc(Br)c(F)cc1O)c1ccc(OCC(=O)[O-])cc1 ZINC001598072603 990370913 /nfs/dbraw/zinc/37/09/13/990370913.db2.gz ASOMZUZTQVYBOY-UHFFFAOYSA-N -1 2 398.184 3.034 20 0 GGADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001598538014 992863573 /nfs/dbraw/zinc/86/35/73/992863573.db2.gz XPDRNWXROAGWGJ-UHFFFAOYSA-N -1 2 394.359 3.037 20 0 GGADLM COc1ccc(NC(=O)c2cc(Br)cc(F)c2O)c(C(=O)[O-])c1 ZINC001599594108 993726680 /nfs/dbraw/zinc/72/66/80/993726680.db2.gz SHVRBKDDGIYJBV-UHFFFAOYSA-N -1 2 384.157 3.253 20 0 GGADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)CCCCCC2 ZINC001599383418 996899062 /nfs/dbraw/zinc/89/90/62/996899062.db2.gz DLOBLLZMUXFISN-UHFFFAOYSA-N -1 2 396.490 3.310 20 0 GGADLM COCc1nc(NS(=O)(=O)/C=C\c2cccc(Cl)c2)sc1C(=O)[O-] ZINC001599303386 997271932 /nfs/dbraw/zinc/27/19/32/997271932.db2.gz JFYFJVLRXGVJEG-WAYWQWQTSA-N -1 2 388.854 3.054 20 0 GGADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cc2n[nH]cc2cc1C ZINC001599329682 997725347 /nfs/dbraw/zinc/72/53/47/997725347.db2.gz BTANAIFYLGKREI-UHFFFAOYSA-N -1 2 395.824 3.032 20 0 GGADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC001599330254 997735385 /nfs/dbraw/zinc/73/53/85/997735385.db2.gz SJTRUTBOYCGIJB-UHFFFAOYSA-N -1 2 392.820 3.396 20 0 GGADLM COc1cc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)ccc1C(=O)[O-] ZINC001599459966 998255413 /nfs/dbraw/zinc/25/54/13/998255413.db2.gz QXVCTSSJDJXFME-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM COc1cc(S(=O)(=O)Nc2cc(CC3CCCCC3)n[nH]2)ccc1C(=O)[O-] ZINC001599460163 998259280 /nfs/dbraw/zinc/25/92/80/998259280.db2.gz UAFPEUIIBDXSKM-UHFFFAOYSA-N -1 2 393.465 3.040 20 0 GGADLM COc1cc(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)ccc1C(=O)[O-] ZINC001599460964 998272299 /nfs/dbraw/zinc/27/22/99/998272299.db2.gz GRLQUBLXMGFFSZ-UHFFFAOYSA-N -1 2 390.442 3.318 20 0 GGADLM COc1cc2c(cc1NS(=O)(=O)CC(C)(C)C(=O)[O-])oc1ccccc12 ZINC001599465421 998351990 /nfs/dbraw/zinc/35/19/90/998351990.db2.gz UXDBXNKYQWAGRC-UHFFFAOYSA-N -1 2 377.418 3.447 20 0 GGADLM COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001599579943 998511693 /nfs/dbraw/zinc/51/16/93/998511693.db2.gz NCNDIVNNUAEKEZ-UHFFFAOYSA-N -1 2 390.870 3.013 20 0 GGADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C2CC2)c1 ZINC001599018604 998959720 /nfs/dbraw/zinc/95/97/20/998959720.db2.gz LJDDIIAUQJOUCA-UHFFFAOYSA-N -1 2 399.421 3.050 20 0 GGADLM C[C@@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)sc2C1 ZINC001594450278 999646652 /nfs/dbraw/zinc/64/66/52/999646652.db2.gz CWWXEKRLIJXPEI-MRVPVSSYSA-N -1 2 386.882 3.420 20 0 GGADLM Cc1ccc(Br)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000037055177 210018072 /nfs/dbraw/zinc/01/80/72/210018072.db2.gz FSXDHMYXRFKQKZ-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(Br)s1 ZINC000032833714 211941683 /nfs/dbraw/zinc/94/16/83/211941683.db2.gz ZFCYEBIRMNSZPA-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])c1ccn(-c2ccccc2NS(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000097591217 211366558 /nfs/dbraw/zinc/36/65/58/211366558.db2.gz FAIZROBLYNRAEQ-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c1C ZINC000078877916 211149172 /nfs/dbraw/zinc/14/91/72/211149172.db2.gz GNRWKFFRNDFDOU-UHFFFAOYSA-N -1 2 392.264 3.326 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)c1 ZINC000078564564 211146737 /nfs/dbraw/zinc/14/67/37/211146737.db2.gz HKMOPQMBVWGZDH-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c1 ZINC000066585734 211004532 /nfs/dbraw/zinc/00/45/32/211004532.db2.gz WOJBGPUUAXRONY-UHFFFAOYSA-N -1 2 383.838 3.086 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCSCC3)c(C(=O)[O-])c2)s1 ZINC000058438698 136155462 /nfs/dbraw/zinc/15/54/62/136155462.db2.gz FKURSANQSHHYMY-UHFFFAOYSA-N -1 2 398.531 3.109 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2F)cc(C(F)(F)F)c1 ZINC000072071401 222204006 /nfs/dbraw/zinc/20/40/06/222204006.db2.gz QIWZYNIVZBUWOK-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(Br)s1 ZINC000032586145 564402101 /nfs/dbraw/zinc/40/21/01/564402101.db2.gz AASFZZFDNTUVEO-UHFFFAOYSA-N -1 2 398.206 3.288 20 0 GGADLM Cc1nccc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)c2)n1 ZINC000032592462 564402590 /nfs/dbraw/zinc/40/25/90/564402590.db2.gz GMHSEWCVVQDRPM-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000042792466 564449433 /nfs/dbraw/zinc/44/94/33/564449433.db2.gz LLTDQTLGENJKHD-UHFFFAOYSA-N -1 2 382.463 3.212 20 0 GGADLM Cc1sc(Br)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000124663360 564489672 /nfs/dbraw/zinc/48/96/72/564489672.db2.gz LGFGQAZKZNRPQN-UHFFFAOYSA-N -1 2 392.252 3.024 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)sc1C(=O)[O-] ZINC000048382645 564538039 /nfs/dbraw/zinc/53/80/39/564538039.db2.gz OMKMWOMSZJUKEA-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(OCCCC#N)c2)sc1C(=O)[O-] ZINC000048382691 564538508 /nfs/dbraw/zinc/53/85/08/564538508.db2.gz LUDHCFADBFZTHT-UHFFFAOYSA-N -1 2 380.447 3.238 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2sccc2Br)c(C(=O)[O-])c1 ZINC000049060816 564548665 /nfs/dbraw/zinc/54/86/65/564548665.db2.gz BCLFLCXYRDECDC-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Br)s1 ZINC000057351086 564666056 /nfs/dbraw/zinc/66/60/56/564666056.db2.gz CCPFSAWMLWLHOQ-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)ccc1Cl ZINC000067124863 564785248 /nfs/dbraw/zinc/78/52/48/564785248.db2.gz YSKKIMGCJXLTLN-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM CC(=O)Nc1cc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1Cl ZINC000067952367 564804163 /nfs/dbraw/zinc/80/41/63/564804163.db2.gz AARZTRILQHPCLR-UHFFFAOYSA-N -1 2 388.854 3.167 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(F)c(Br)c2)c1 ZINC000135356591 564828907 /nfs/dbraw/zinc/82/89/07/564828907.db2.gz DXZLJPKDVCJACQ-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)sc1Br ZINC000149476199 564886026 /nfs/dbraw/zinc/88/60/26/564886026.db2.gz XPGTWIUTSSOQFB-UHFFFAOYSA-N -1 2 392.252 3.024 20 0 GGADLM O=c1[nH]c(Cc2nnc(-c3ccccc3)[nH]2)nc2ccc(Br)cc21 ZINC000102190426 564926914 /nfs/dbraw/zinc/92/69/14/564926914.db2.gz WJNPPYHMRINSHV-UHFFFAOYSA-N -1 2 382.221 3.062 20 0 GGADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000154461611 565039720 /nfs/dbraw/zinc/03/97/20/565039720.db2.gz ISUORANZQSMGDQ-UHFFFAOYSA-N -1 2 388.214 3.016 20 0 GGADLM O=C([O-])c1cc(Br)cc(NS(=O)(=O)c2c(F)cccc2F)c1 ZINC000155529597 565068634 /nfs/dbraw/zinc/06/86/34/565068634.db2.gz YVFLNQGHRKCXLZ-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM O=C([O-])c1cc(Br)cc(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000155534310 565068667 /nfs/dbraw/zinc/06/86/67/565068667.db2.gz FPGFXUXYARYYFT-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000157131849 565120380 /nfs/dbraw/zinc/12/03/80/565120380.db2.gz VORJGLVVSYFTIB-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1cc(Br)cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000185975620 565232537 /nfs/dbraw/zinc/23/25/37/565232537.db2.gz LTDOWQPRRFDJJB-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM COc1cc(Br)cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000168856579 565382279 /nfs/dbraw/zinc/38/22/79/565382279.db2.gz OHOVQKXVFLKBME-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM COc1ccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(Br)c1O ZINC000278361204 565553049 /nfs/dbraw/zinc/55/30/49/565553049.db2.gz JPZBXEROGSMIRE-IINYFYTJSA-N -1 2 398.219 3.299 20 0 GGADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000393094334 565568955 /nfs/dbraw/zinc/56/89/55/565568955.db2.gz LFOASZSFRDYABR-UHFFFAOYSA-N -1 2 375.324 3.213 20 0 GGADLM COc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)c(C(=O)[O-])cc1OC ZINC000326326921 565623674 /nfs/dbraw/zinc/62/36/74/565623674.db2.gz WWGJZIAWFQYXFQ-UHFFFAOYSA-N -1 2 391.854 3.226 20 0 GGADLM Cc1c(NS(=O)(=O)c2cccc(Br)c2F)cccc1C(=O)[O-] ZINC000410371112 565679231 /nfs/dbraw/zinc/67/92/31/565679231.db2.gz JJCDYIBWYHBJPA-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410356771 565679482 /nfs/dbraw/zinc/67/94/82/565679482.db2.gz XELQUZYGWWFTIK-UHFFFAOYSA-N -1 2 388.214 3.016 20 0 GGADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000181681578 566158670 /nfs/dbraw/zinc/15/86/70/566158670.db2.gz WLZMHRKBRUNOBD-UHFFFAOYSA-N -1 2 385.873 3.308 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccccc2-n2nccc2C)sc1C(=O)[O-] ZINC000181788526 566165442 /nfs/dbraw/zinc/16/54/42/566165442.db2.gz REIXURXKNSVLJR-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(C2CC2)n1 ZINC000291176148 566207665 /nfs/dbraw/zinc/20/76/65/566207665.db2.gz SDZIJGMXYCZSRW-UHFFFAOYSA-N -1 2 390.248 3.103 20 0 GGADLM CCn1nc(C)c(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1C ZINC000265996564 566244429 /nfs/dbraw/zinc/24/44/29/566244429.db2.gz CGPCRPUNMFUAKC-UHFFFAOYSA-N -1 2 392.264 3.326 20 0 GGADLM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(Br)cc(Cl)c1O ZINC000534899470 566264311 /nfs/dbraw/zinc/26/43/11/566264311.db2.gz BHBBXPLINBAWAN-VIFPVBQESA-N -1 2 384.679 3.119 20 0 GGADLM COc1cc(OC)c(NS(=O)(=O)c2cc(C)ccc2Cl)c(C(=O)[O-])c1 ZINC000535025265 566271896 /nfs/dbraw/zinc/27/18/96/566271896.db2.gz BKRZRPWKDIDGRT-UHFFFAOYSA-N -1 2 385.825 3.165 20 0 GGADLM C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc(O)ccc1Cl ZINC000625115527 566277114 /nfs/dbraw/zinc/27/71/14/566277114.db2.gz DLNZDSZMCKHYPZ-UHFFFAOYSA-N -1 2 383.897 3.350 20 0 GGADLM COC(=O)C1(CS(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000575632871 566279023 /nfs/dbraw/zinc/27/90/23/566279023.db2.gz OQGBRYKEBNEMNK-UHFFFAOYSA-N -1 2 382.265 3.174 20 0 GGADLM COc1cc(S(=O)(=O)Nc2scnc2C2CC2)c(Cl)cc1C(=O)[O-] ZINC000535684731 566318849 /nfs/dbraw/zinc/31/88/49/566318849.db2.gz BVLPFPSHEDXLNG-UHFFFAOYSA-N -1 2 388.854 3.182 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)cc1F ZINC000535780606 566325592 /nfs/dbraw/zinc/32/55/92/566325592.db2.gz NVSBIJZXCWEXIJ-UHFFFAOYSA-N -1 2 378.406 3.448 20 0 GGADLM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000446632850 566359157 /nfs/dbraw/zinc/35/91/57/566359157.db2.gz VUSQACLWFAIJDX-UHFFFAOYSA-N -1 2 393.437 3.006 20 0 GGADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc(OC)c1C(C)C ZINC000484084406 566416002 /nfs/dbraw/zinc/41/60/02/566416002.db2.gz WUXHGWBHUQEOPZ-UHFFFAOYSA-N -1 2 385.463 3.388 20 0 GGADLM COC(=O)c1ccc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)s1 ZINC000511243462 566448056 /nfs/dbraw/zinc/44/80/56/566448056.db2.gz WNTIDJXKMMJANL-UHFFFAOYSA-N -1 2 383.447 3.157 20 0 GGADLM Cc1ccsc1S(=O)(=O)Nc1ccc(N2CCSCC2)cc1C(=O)[O-] ZINC000484784061 566455346 /nfs/dbraw/zinc/45/53/46/566455346.db2.gz JBGOXPJTVODAJJ-UHFFFAOYSA-N -1 2 398.531 3.109 20 0 GGADLM COc1ccsc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000484936847 566465212 /nfs/dbraw/zinc/46/52/12/566465212.db2.gz NUSWWVQCTYKENQ-UHFFFAOYSA-N -1 2 381.353 3.275 20 0 GGADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000484967199 566466679 /nfs/dbraw/zinc/46/66/79/566466679.db2.gz DTMAJJCSJIRAPJ-UHFFFAOYSA-N -1 2 387.816 3.306 20 0 GGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(OC(F)F)c2)c1 ZINC000512742393 566554058 /nfs/dbraw/zinc/55/40/58/566554058.db2.gz NOIAOOHSUPVGNT-UHFFFAOYSA-N -1 2 375.324 3.235 20 0 GGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)c1 ZINC000512761950 566555935 /nfs/dbraw/zinc/55/59/35/566555935.db2.gz LIDHNDWBGRNINH-UHFFFAOYSA-N -1 2 386.832 3.353 20 0 GGADLM CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1C ZINC000559962251 566580033 /nfs/dbraw/zinc/58/00/33/566580033.db2.gz IEIQJOAHZKTRKP-UHFFFAOYSA-N -1 2 382.507 3.096 20 0 GGADLM C[C@H](c1ccccc1)n1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000675285691 566636836 /nfs/dbraw/zinc/63/68/36/566636836.db2.gz WOXXPTQVTXYORO-LLVKDONJSA-N -1 2 377.447 3.053 20 0 GGADLM CCCOc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1OC ZINC000629330962 566645586 /nfs/dbraw/zinc/64/55/86/566645586.db2.gz GLNAXWYKVIBIJI-UHFFFAOYSA-N -1 2 385.463 3.353 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(O)c1 ZINC000467762450 566662148 /nfs/dbraw/zinc/66/21/48/566662148.db2.gz MQWSXNFDNVYAOA-UHFFFAOYSA-N -1 2 379.287 3.049 20 0 GGADLM COc1cc2nc(C)sc2cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000467755847 566662775 /nfs/dbraw/zinc/66/27/75/566662775.db2.gz BOZQWLZSCCJURU-UHFFFAOYSA-N -1 2 382.419 3.014 20 0 GGADLM CC(C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000515565729 566720955 /nfs/dbraw/zinc/72/09/55/566720955.db2.gz UAPIVURNWKIHKT-UHFFFAOYSA-N -1 2 385.825 3.332 20 0 GGADLM Cc1csc(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2C(=O)[O-])c1 ZINC000451006370 566734070 /nfs/dbraw/zinc/73/40/70/566734070.db2.gz ZGFBIOUMSMPCJO-UHFFFAOYSA-N -1 2 398.531 3.109 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)c(F)c1 ZINC000541796049 566749806 /nfs/dbraw/zinc/74/98/06/566749806.db2.gz PZMLRGNYPPLUEO-UHFFFAOYSA-N -1 2 380.180 3.337 20 0 GGADLM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1cc(Cl)cc(Br)c1O)C2 ZINC000516181634 566750383 /nfs/dbraw/zinc/75/03/83/566750383.db2.gz OFDWVTILVXQBIS-VXJOIVPMSA-N -1 2 388.645 3.135 20 0 GGADLM CC(C)c1ncsc1NS(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000451104862 566758540 /nfs/dbraw/zinc/75/85/40/566758540.db2.gz SQGAKRKLBVKMNE-UHFFFAOYSA-N -1 2 382.463 3.115 20 0 GGADLM CS(=O)(=O)c1ccc(F)c(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)c1 ZINC000562078482 566762626 /nfs/dbraw/zinc/76/26/26/566762626.db2.gz JABMUNKLOQJREY-UHFFFAOYSA-N -1 2 377.359 3.243 20 0 GGADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC000677996648 566775729 /nfs/dbraw/zinc/77/57/29/566775729.db2.gz PHRWGDCRTQUYHT-UHFFFAOYSA-N -1 2 385.873 3.006 20 0 GGADLM O=C([O-])c1cccc(NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000489350844 566783032 /nfs/dbraw/zinc/78/30/32/566783032.db2.gz GCVJINTYCGJYKI-UHFFFAOYSA-N -1 2 379.287 3.223 20 0 GGADLM CSc1c(F)cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1F ZINC000542237028 566785205 /nfs/dbraw/zinc/78/52/05/566785205.db2.gz SGKHRCKGDYRQSD-UHFFFAOYSA-N -1 2 377.365 3.325 20 0 GGADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)c1 ZINC000470447642 566873422 /nfs/dbraw/zinc/87/34/22/566873422.db2.gz CKFZMVIKWIQWPG-UHFFFAOYSA-N -1 2 379.287 3.065 20 0 GGADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000471131858 566932065 /nfs/dbraw/zinc/93/20/65/566932065.db2.gz STSOMGODPNMXGF-UHFFFAOYSA-N -1 2 391.779 3.434 20 0 GGADLM CC(C)Oc1c(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1F ZINC000544096455 566937508 /nfs/dbraw/zinc/93/75/08/566937508.db2.gz NLBAYURRYQANLX-UHFFFAOYSA-N -1 2 377.390 3.313 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC(F)(F)F)s1 ZINC000471970098 566990923 /nfs/dbraw/zinc/99/09/23/566990923.db2.gz LYYQXGCOQGYOJG-UHFFFAOYSA-N -1 2 381.353 3.454 20 0 GGADLM CCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)cc1C(=O)[O-] ZINC000545120498 567020428 /nfs/dbraw/zinc/02/04/28/567020428.db2.gz KCZABFMALGTVQW-UHFFFAOYSA-N -1 2 394.783 3.262 20 0 GGADLM CO[C@@H]1CCOc2c(NS(=O)(=O)c3cc(C(=O)[O-])sc3C)cccc21 ZINC000565520440 567073975 /nfs/dbraw/zinc/07/39/75/567073975.db2.gz VFJIFUADYOZTKD-GFCCVEGCSA-N -1 2 383.447 3.026 20 0 GGADLM Cc1ccnc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)c2)n1 ZINC000522359742 567114362 /nfs/dbraw/zinc/11/43/62/567114362.db2.gz LPBGIFCSJQAJOI-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM CC(C)(C)OC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000566229086 567140365 /nfs/dbraw/zinc/14/03/65/567140365.db2.gz HDEYLYGNRANXQD-UHFFFAOYSA-N -1 2 383.447 3.202 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1OCC(F)(F)F ZINC000523124778 567144486 /nfs/dbraw/zinc/14/44/86/567144486.db2.gz HQRFXSDBALUVBT-UHFFFAOYSA-N -1 2 395.380 3.497 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C(=O)[O-])sc1C ZINC000547555024 567219975 /nfs/dbraw/zinc/21/99/75/567219975.db2.gz XPTKPJFGKGHPFP-UHFFFAOYSA-N -1 2 380.491 3.464 20 0 GGADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000547555226 567220507 /nfs/dbraw/zinc/22/05/07/567220507.db2.gz HBESRGSAPHYCEY-UHFFFAOYSA-N -1 2 384.797 3.364 20 0 GGADLM O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc(F)c(F)cc1Br ZINC000433104526 567222495 /nfs/dbraw/zinc/22/24/95/567222495.db2.gz XQADVZZOKNSBLI-UHFFFAOYSA-N -1 2 380.152 3.160 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2csc(-c3ccccn3)n2)cc1C(=O)[O-] ZINC000499342341 567239310 /nfs/dbraw/zinc/23/93/10/567239310.db2.gz JJKWBYUELMYAMK-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2csc(-c3ccccn3)n2)cc1Cl ZINC000499342478 567239899 /nfs/dbraw/zinc/23/98/99/567239899.db2.gz JWBDVIMTIVQZRO-UHFFFAOYSA-N -1 2 395.849 3.358 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(F)cc2OCC2CC2)sc1C(=O)[O-] ZINC000525369236 567244859 /nfs/dbraw/zinc/24/48/59/567244859.db2.gz VUHQTTLYYRUIPW-UHFFFAOYSA-N -1 2 385.438 3.483 20 0 GGADLM COc1ccsc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000547883239 567255467 /nfs/dbraw/zinc/25/54/67/567255467.db2.gz KIDADPBKUGMILW-UHFFFAOYSA-N -1 2 381.353 3.275 20 0 GGADLM CCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1Cl ZINC000433529093 567257349 /nfs/dbraw/zinc/25/73/49/567257349.db2.gz HLTFNLQIHWRFRY-UHFFFAOYSA-N -1 2 385.825 3.333 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)c1 ZINC000475811603 567279276 /nfs/dbraw/zinc/27/92/76/567279276.db2.gz LKQAWENBISCPMD-UHFFFAOYSA-N -1 2 398.359 3.360 20 0 GGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000500289340 567312568 /nfs/dbraw/zinc/31/25/68/567312568.db2.gz KYVAMRYAUROYBP-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM O=C([O-])c1cc(NS(=O)(=O)c2cc(Br)ccc2F)ccc1F ZINC000500372527 567317073 /nfs/dbraw/zinc/31/70/73/567317073.db2.gz JDMJHJSLPZFHAH-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(Br)ccc2F)cccc1C(=O)[O-] ZINC000476774999 567348400 /nfs/dbraw/zinc/34/84/00/567348400.db2.gz OWSFSCFJFPNMMX-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM COc1ccc(OC(C)C)c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000592711773 567357137 /nfs/dbraw/zinc/35/71/37/567357137.db2.gz PPRJJSPEVVISEZ-UHFFFAOYSA-N -1 2 385.463 3.351 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(Oc3cccnc3)cc2)c1 ZINC000569958704 567446153 /nfs/dbraw/zinc/44/61/53/567446153.db2.gz LMOSEYNSNPKIPY-UHFFFAOYSA-N -1 2 376.415 3.434 20 0 GGADLM O=C([O-])c1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1O ZINC000436974018 567470890 /nfs/dbraw/zinc/47/08/90/567470890.db2.gz WMAFFVHSMUAIPR-UHFFFAOYSA-N -1 2 380.180 3.337 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c(Cl)c1Cl ZINC000436994641 567474059 /nfs/dbraw/zinc/47/40/59/567474059.db2.gz OBPMWJMGYDLFBP-UHFFFAOYSA-N -1 2 392.216 3.207 20 0 GGADLM Cc1c(Br)cc(NS(=O)(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000551114423 567479932 /nfs/dbraw/zinc/47/99/32/567479932.db2.gz OKHKWRMWVBCTHG-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1cccn2cc(CNS(=O)(=O)c3cc(Cl)sc3Cl)[nH+]c12 ZINC000503742457 567505121 /nfs/dbraw/zinc/50/51/21/567505121.db2.gz UVKAWALSPWBPMX-UHFFFAOYSA-N -1 2 376.290 3.490 20 0 GGADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000479196199 567514010 /nfs/dbraw/zinc/51/40/10/567514010.db2.gz XGAPUVAJUMFNNI-UHFFFAOYSA-N -1 2 377.315 3.272 20 0 GGADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1C(=O)[O-] ZINC000479258795 567518998 /nfs/dbraw/zinc/51/89/98/567518998.db2.gz ZTNKAUMNKFFEJO-SNVBAGLBSA-N -1 2 383.857 3.315 20 0 GGADLM CCn1cc(S(=O)(=O)Nc2cccc(Cl)c2OC(C)C)cc1C(=O)[O-] ZINC000504259072 567527110 /nfs/dbraw/zinc/52/71/10/567527110.db2.gz FLLYWMXUQQSELI-UHFFFAOYSA-N -1 2 386.857 3.448 20 0 GGADLM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000479468144 567537055 /nfs/dbraw/zinc/53/70/55/567537055.db2.gz MSUPQEDVTYMKLP-UHFFFAOYSA-N -1 2 383.857 3.235 20 0 GGADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479472129 567539048 /nfs/dbraw/zinc/53/90/48/567539048.db2.gz WBAFRAPPJNHKEQ-UHFFFAOYSA-N -1 2 391.779 3.434 20 0 GGADLM C[C@@H](Sc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1)C(=O)[O-] ZINC000504658555 567542710 /nfs/dbraw/zinc/54/27/10/567542710.db2.gz WVOUWCIKEJUXFG-MRVPVSSYSA-N -1 2 391.392 3.470 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)sc1C(=O)[O-] ZINC000479550033 567542993 /nfs/dbraw/zinc/54/29/93/567542993.db2.gz YQJSHKJBIHENGK-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000479567223 567544839 /nfs/dbraw/zinc/54/48/39/567544839.db2.gz MROLUUBNTYEZOW-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000505124055 567561594 /nfs/dbraw/zinc/56/15/94/567561594.db2.gz KEHXFKYWHDIYSS-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000505124072 567561871 /nfs/dbraw/zinc/56/18/71/567561871.db2.gz KKMUCQWWPORICK-UHFFFAOYSA-N -1 2 383.809 3.050 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)sc1C ZINC000552617133 567599330 /nfs/dbraw/zinc/59/93/30/567599330.db2.gz ZGBRBDYJLSAMBC-UHFFFAOYSA-N -1 2 377.447 3.050 20 0 GGADLM CCCC[C@@H](CC)CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439762449 567600723 /nfs/dbraw/zinc/60/07/23/567600723.db2.gz BJVFHIWZCXYMDW-CQSZACIVSA-N -1 2 387.512 3.044 20 0 GGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c1 ZINC000531433719 567658822 /nfs/dbraw/zinc/65/88/22/567658822.db2.gz NEBUVADHECDDDF-UHFFFAOYSA-N -1 2 378.793 3.093 20 0 GGADLM Cc1nc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)s1 ZINC000531780425 567678840 /nfs/dbraw/zinc/67/88/40/567678840.db2.gz DQLQQVRKRLDDLZ-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1OC(F)F ZINC000531842695 567681708 /nfs/dbraw/zinc/68/17/08/567681708.db2.gz HHYSEVUOJDZGAU-UHFFFAOYSA-N -1 2 381.353 3.296 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cccc(Br)c2F)cc(C(=O)[O-])c1 ZINC000507644574 567692989 /nfs/dbraw/zinc/69/29/89/567692989.db2.gz MTZIFBBPBRJATD-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1ccc([C@H](NS(=O)(=O)CCCC(F)(F)F)C(F)(F)F)cc1 ZINC000573203575 567695223 /nfs/dbraw/zinc/69/52/23/567695223.db2.gz MRANDHGDPVXNQY-JTQLQIEISA-N -1 2 393.305 3.250 20 0 GGADLM COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)c(C(=O)[O-])c1 ZINC000461339740 567729829 /nfs/dbraw/zinc/72/98/29/567729829.db2.gz FTYHLVYPWPWVDZ-UHFFFAOYSA-N -1 2 381.353 3.275 20 0 GGADLM OCCC[N@H+](Cc1cc(Br)c(O)c(Br)c1)C1CC1 ZINC000667630339 567760939 /nfs/dbraw/zinc/76/09/39/567760939.db2.gz AODDJZAYHPLOFB-UHFFFAOYSA-N -1 2 379.092 3.264 20 0 GGADLM CCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC(C)C)cc1C(=O)[O-] ZINC000555129945 567770321 /nfs/dbraw/zinc/77/03/21/567770321.db2.gz VMUGBVYCXDPOHN-UHFFFAOYSA-N -1 2 386.857 3.448 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)sc1C(=O)[O-] ZINC000534167821 567802114 /nfs/dbraw/zinc/80/21/14/567802114.db2.gz BQSATEZZQQLOMN-UHFFFAOYSA-N -1 2 393.437 3.346 20 0 GGADLM Cc1[nH]c(C(=O)CS(=O)(=O)Cc2ccc(CC(C)C)cc2)c(C)c1C(=O)[O-] ZINC000738154293 599751786 /nfs/dbraw/zinc/75/17/86/599751786.db2.gz IGCVVSHQVWGSCV-UHFFFAOYSA-N -1 2 391.489 3.326 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccnc2OCc2ccccc2)cc1 ZINC000591682788 599852183 /nfs/dbraw/zinc/85/21/83/599852183.db2.gz JBUWPAIADZICBR-UHFFFAOYSA-N -1 2 384.413 3.160 20 0 GGADLM Cc1nc(NS(=O)(=O)c2ccc(Br)cc2C(=O)[O-])sc1C ZINC000738865609 599874725 /nfs/dbraw/zinc/87/47/25/599874725.db2.gz ZLOTWWQDJCUZQG-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM CCOc1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1OCC ZINC000392259866 599876027 /nfs/dbraw/zinc/87/60/27/599876027.db2.gz CJWSHOOEGYOREG-UHFFFAOYSA-N -1 2 385.463 3.353 20 0 GGADLM O=C([O-])CSCc1cccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000739874148 599886027 /nfs/dbraw/zinc/88/60/27/599886027.db2.gz MZNKERUFPOMGDV-UHFFFAOYSA-N -1 2 391.392 3.223 20 0 GGADLM Cc1cccc(Cn2nccc2NS(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000738721571 599907908 /nfs/dbraw/zinc/90/79/08/599907908.db2.gz KZTDSFHZOBLZHK-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccnc1OCc1ccccc1 ZINC000675628848 599908144 /nfs/dbraw/zinc/90/81/44/599908144.db2.gz SFPVENPTKSTJNT-UHFFFAOYSA-N -1 2 398.440 3.468 20 0 GGADLM O=C([O-])c1ccccc1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000738688155 599923969 /nfs/dbraw/zinc/92/39/69/599923969.db2.gz HRGNHBPFJHKHGL-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM O=C([O-])c1sccc1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000740288174 599925190 /nfs/dbraw/zinc/92/51/90/599925190.db2.gz BIDVZDWKLBRKAZ-UHFFFAOYSA-N -1 2 398.206 3.288 20 0 GGADLM O=C([O-])CSCc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000739874583 599927772 /nfs/dbraw/zinc/92/77/72/599927772.db2.gz REFFZWDMEQCMCH-UHFFFAOYSA-N -1 2 391.392 3.223 20 0 GGADLM COc1ccc2nc(NS(=O)(=O)c3cccc(C(=O)[O-])c3C)sc2c1 ZINC000393057687 599965551 /nfs/dbraw/zinc/96/55/51/599965551.db2.gz OSLDJRJCIKAONC-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000738277450 599967119 /nfs/dbraw/zinc/96/71/19/599967119.db2.gz ZAQQBJBJPHWVGP-UHFFFAOYSA-N -1 2 394.474 3.106 20 0 GGADLM Cc1cnc(-c2cccc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])c2)o1 ZINC000738801985 599974896 /nfs/dbraw/zinc/97/48/96/599974896.db2.gz FUTIFBANRXEBFA-UHFFFAOYSA-N -1 2 376.390 3.359 20 0 GGADLM Cc1c(Br)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000219471180 599981005 /nfs/dbraw/zinc/98/10/05/599981005.db2.gz ZPQSRJOGWSHQFI-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1c(Br)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000318115598 599981635 /nfs/dbraw/zinc/98/16/35/599981635.db2.gz OYUXESXDHOEYJZ-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)c1 ZINC000740144472 599996163 /nfs/dbraw/zinc/99/61/63/599996163.db2.gz QPOOYTLHBPJYMT-UHFFFAOYSA-N -1 2 396.415 3.454 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)s1 ZINC000740187704 600024232 /nfs/dbraw/zinc/02/42/32/600024232.db2.gz PGGYALSZNJRUTI-UHFFFAOYSA-N -1 2 396.471 3.283 20 0 GGADLM CCOc1ccc2nc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2c1 ZINC000737211814 600051548 /nfs/dbraw/zinc/05/15/48/600051548.db2.gz WPLWECLFRZZVBP-UHFFFAOYSA-N -1 2 396.421 3.333 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n(-c2ccccc2)n1 ZINC000738463243 600052458 /nfs/dbraw/zinc/05/24/58/600052458.db2.gz HPMBWAMTJFEQLM-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccnn1Cc1ccccc1 ZINC000740141084 600054746 /nfs/dbraw/zinc/05/47/46/600054746.db2.gz YVLXDFUKEYQKEK-UHFFFAOYSA-N -1 2 391.836 3.084 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1C(=O)[O-] ZINC000738746395 600055186 /nfs/dbraw/zinc/05/51/86/600055186.db2.gz YWNIPLBINIPHKK-UHFFFAOYSA-N -1 2 397.456 3.168 20 0 GGADLM O=C([O-])c1cc(-c2csc(NS(=O)(=O)/C=C\c3ccccc3)n2)c[nH]1 ZINC000740068283 600055430 /nfs/dbraw/zinc/05/54/30/600055430.db2.gz CPYACMKGJBSTCP-SREVYHEPSA-N -1 2 375.431 3.249 20 0 GGADLM CC[C@H]1CCc2nc(NS(=O)(=O)c3cccc(C)c3C(=O)[O-])sc2C1 ZINC000736940897 600055496 /nfs/dbraw/zinc/05/54/96/600055496.db2.gz VHYCYKNVBHZDGC-NSHDSACASA-N -1 2 380.491 3.465 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000738546341 600055873 /nfs/dbraw/zinc/05/58/73/600055873.db2.gz USPYOKGGQFFVNT-UHFFFAOYSA-N -1 2 384.385 3.382 20 0 GGADLM O=C([O-])c1cccc(Cc2cnc(NS(=O)(=O)c3ccccc3F)s2)c1 ZINC000740228511 600056141 /nfs/dbraw/zinc/05/61/41/600056141.db2.gz MZXPRONEXYDDBW-UHFFFAOYSA-N -1 2 392.433 3.372 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)c1C(=O)[O-] ZINC000738747618 600056216 /nfs/dbraw/zinc/05/62/16/600056216.db2.gz ZYMKMSYTLRXESC-UHFFFAOYSA-N -1 2 384.385 3.382 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1 ZINC000738688640 600057279 /nfs/dbraw/zinc/05/72/79/600057279.db2.gz IKSDWXCWSMWFKM-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000738347198 600057372 /nfs/dbraw/zinc/05/73/72/600057372.db2.gz FQUBHVBTSRYPQM-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)c1 ZINC000740144299 600057554 /nfs/dbraw/zinc/05/75/54/600057554.db2.gz ODZNUNLHIVMODO-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)c1 ZINC000078953823 600058301 /nfs/dbraw/zinc/05/83/01/600058301.db2.gz YHGDSKLAPRUHSB-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000740147091 600058425 /nfs/dbraw/zinc/05/84/25/600058425.db2.gz YZAFFBGZAQEIIU-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM CCOc1cc2c(cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])O[C@@H](C)C2 ZINC000737192769 600094302 /nfs/dbraw/zinc/09/43/02/600094302.db2.gz ABGHHPYIZPAAIK-JTQLQIEISA-N -1 2 395.408 3.047 20 0 GGADLM CCCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c2C1 ZINC000736996587 600100408 /nfs/dbraw/zinc/10/04/08/600100408.db2.gz ZLPZRALJRSYXKT-UHFFFAOYSA-N -1 2 380.491 3.363 20 0 GGADLM CCCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c2C1 ZINC000736996587 600100409 /nfs/dbraw/zinc/10/04/09/600100409.db2.gz ZLPZRALJRSYXKT-UHFFFAOYSA-N -1 2 380.491 3.363 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)c(C)c1 ZINC000738659687 600102274 /nfs/dbraw/zinc/10/22/74/600102274.db2.gz BIGDHCWAMNOZOO-UHFFFAOYSA-N -1 2 377.447 3.116 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)c(Cl)c1 ZINC000738660317 600102402 /nfs/dbraw/zinc/10/24/02/600102402.db2.gz NEQYIVBNRWDXPX-UHFFFAOYSA-N -1 2 397.865 3.461 20 0 GGADLM O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc(Cl)cn1 ZINC000740121378 600103027 /nfs/dbraw/zinc/10/30/27/600103027.db2.gz PVUJQRXPLCEVNS-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM O=C([O-])[C@H](CNC(=O)c1c(O)cc(F)cc1F)Cc1ccc2ccccc2c1 ZINC000739409059 600182211 /nfs/dbraw/zinc/18/22/11/600182211.db2.gz QLVZBADQCHQQRX-HNNXBMFYSA-N -1 2 385.366 3.497 20 0 GGADLM COCc1csc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])n1 ZINC000737836765 600203979 /nfs/dbraw/zinc/20/39/79/600203979.db2.gz UBIJGJSQEHZJSJ-UHFFFAOYSA-N -1 2 384.460 3.003 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c(F)cc1F ZINC000740090506 600229925 /nfs/dbraw/zinc/22/99/25/600229925.db2.gz WMMHPYFAZGHRCH-UHFFFAOYSA-N -1 2 396.415 3.454 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)c(F)cc1F ZINC000740089261 600232756 /nfs/dbraw/zinc/23/27/56/600232756.db2.gz CLKRIXNUHHXDJX-UHFFFAOYSA-N -1 2 378.356 3.255 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c(F)cc1F ZINC000740090154 600234265 /nfs/dbraw/zinc/23/42/65/600234265.db2.gz VEMGZUQLVACSNC-UHFFFAOYSA-N -1 2 380.328 3.119 20 0 GGADLM CC(C)n1ncc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)cc21 ZINC000736539498 600234991 /nfs/dbraw/zinc/23/49/91/600234991.db2.gz GWROTOLZPMUYKF-UHFFFAOYSA-N -1 2 395.387 3.394 20 0 GGADLM Cc1cnc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)c2)o1 ZINC000738802664 600236432 /nfs/dbraw/zinc/23/64/32/600236432.db2.gz MXMYXDNZKQSWSL-UHFFFAOYSA-N -1 2 394.355 3.427 20 0 GGADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000392146925 600243914 /nfs/dbraw/zinc/24/39/14/600243914.db2.gz IDZNNNWVDLZDAD-UHFFFAOYSA-N -1 2 382.850 3.378 20 0 GGADLM CC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)sc2C1 ZINC000736937920 600244101 /nfs/dbraw/zinc/24/41/01/600244101.db2.gz IGLDFSKWQBBBKV-NSHDSACASA-N -1 2 380.491 3.086 20 0 GGADLM Cc1ccc(C)c2sc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)nc21 ZINC000738578297 600244547 /nfs/dbraw/zinc/24/45/47/600244547.db2.gz CGTXEYZCLHJDHQ-UHFFFAOYSA-N -1 2 376.459 3.341 20 0 GGADLM CC(=O)N(Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1)C(C)C ZINC000736131178 600253883 /nfs/dbraw/zinc/25/38/83/600253883.db2.gz TUTKUFLHUKFKBK-UHFFFAOYSA-N -1 2 396.490 3.004 20 0 GGADLM COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000738078681 600255789 /nfs/dbraw/zinc/25/57/89/600255789.db2.gz IWIGJSOPLKKLOX-UHFFFAOYSA-N -1 2 395.824 3.032 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(OCC3CCOCC3)cc2)s1 ZINC000740187427 600256795 /nfs/dbraw/zinc/25/67/95/600256795.db2.gz JWXSNCFNEUPYFQ-UHFFFAOYSA-N -1 2 397.474 3.053 20 0 GGADLM CN(Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1)C(=O)[O-] ZINC000737486747 600300681 /nfs/dbraw/zinc/30/06/81/600300681.db2.gz WKRNJLJJELNKIH-UHFFFAOYSA-N -1 2 390.248 3.299 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1OCC(F)(F)F ZINC000738463260 600395271 /nfs/dbraw/zinc/39/52/71/600395271.db2.gz IDHDKNUYPSOZEL-UHFFFAOYSA-N -1 2 395.380 3.497 20 0 GGADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)c1 ZINC000740133838 600577078 /nfs/dbraw/zinc/57/70/78/600577078.db2.gz FMXJXGCCDWKGRL-UHFFFAOYSA-N -1 2 395.849 3.358 20 0 GGADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000738901551 600612850 /nfs/dbraw/zinc/61/28/50/600612850.db2.gz VYFPBXYFMVWUCA-UHFFFAOYSA-N -1 2 397.522 3.199 20 0 GGADLM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)c1 ZINC000738736045 600613074 /nfs/dbraw/zinc/61/30/74/600613074.db2.gz IKGWHCNXWUPRFV-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM COc1cc2c(cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)oc1ccccc12 ZINC000508432547 600671282 /nfs/dbraw/zinc/67/12/82/600671282.db2.gz HUDXKWSUQRNWLI-UHFFFAOYSA-N -1 2 386.385 3.422 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000516238087 600677896 /nfs/dbraw/zinc/67/78/96/600677896.db2.gz GEBQEAAEIYWLEZ-GFCCVEGCSA-N -1 2 397.474 3.113 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)c1 ZINC000745978818 600686965 /nfs/dbraw/zinc/68/69/65/600686965.db2.gz CFPXYJYPWIEWOI-UHFFFAOYSA-N -1 2 377.315 3.430 20 0 GGADLM CC(C)Cn1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cn1 ZINC000826917671 600687365 /nfs/dbraw/zinc/68/73/65/600687365.db2.gz HEOSWBMGNHYUGP-UHFFFAOYSA-N -1 2 391.371 3.057 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1C(=O)[O-] ZINC000832956476 600828600 /nfs/dbraw/zinc/82/86/00/600828600.db2.gz FNBNJGPLVRLNEL-UHFFFAOYSA-N -1 2 394.474 3.106 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccnc2OCc2ccccc2)ccc1C(=O)[O-] ZINC000671659907 600893008 /nfs/dbraw/zinc/89/30/08/600893008.db2.gz IYARADXNBNZFOP-UHFFFAOYSA-N -1 2 398.440 3.468 20 0 GGADLM CCn1nc(C)c(S(=O)(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1C ZINC000737312027 600893179 /nfs/dbraw/zinc/89/31/79/600893179.db2.gz KBGYNOQFHUIILZ-UHFFFAOYSA-N -1 2 397.522 3.029 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n(-c2ccccc2C)n1 ZINC000832899998 600974900 /nfs/dbraw/zinc/97/49/00/600974900.db2.gz XJHPMCHQEJBUCT-UHFFFAOYSA-N -1 2 385.445 3.297 20 0 GGADLM Cc1cccc(N(CC(=O)[O-])C(=O)c2cc(OCc3ccccc3)ccn2)n1 ZINC000832971919 600975170 /nfs/dbraw/zinc/97/51/70/600975170.db2.gz ZTUOSWUXZDPJIV-UHFFFAOYSA-N -1 2 377.400 3.095 20 0 GGADLM Cc1cccc(N(CC(=O)[O-])C(=O)c2cccc(-c3noc(C4CC4)n3)c2)n1 ZINC000832971476 600975195 /nfs/dbraw/zinc/97/51/95/600975195.db2.gz OTLSGAUXFVEZCF-UHFFFAOYSA-N -1 2 378.388 3.049 20 0 GGADLM Cc1nc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)sc1Cc1cccc(C)c1 ZINC000832966938 600976820 /nfs/dbraw/zinc/97/68/20/600976820.db2.gz HGJGNDAPWSSCAV-UHFFFAOYSA-N -1 2 391.474 3.178 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)c(Cl)c1Cl ZINC000832469002 600976905 /nfs/dbraw/zinc/97/69/05/600976905.db2.gz ZWIPASJKYBDLCX-UHFFFAOYSA-N -1 2 397.261 3.266 20 0 GGADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)c1 ZINC000833297082 600977501 /nfs/dbraw/zinc/97/75/01/600977501.db2.gz IFTRRBDJCGKHRO-UHFFFAOYSA-N -1 2 391.836 3.084 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000832868793 600988332 /nfs/dbraw/zinc/98/83/32/600988332.db2.gz UBUGIIZGVRDBLP-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1c(S(=O)(=O)Nc2ccccc2C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000738203143 601046260 /nfs/dbraw/zinc/04/62/60/601046260.db2.gz UMZJWJOBNLZCJC-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(Br)c(F)c2)c1C(=O)[O-] ZINC000388069555 601049484 /nfs/dbraw/zinc/04/94/84/601049484.db2.gz KNEPQVXZHXBTCE-UHFFFAOYSA-N -1 2 392.202 3.297 20 0 GGADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC000831949518 601201049 /nfs/dbraw/zinc/20/10/49/601201049.db2.gz ADKHVHKLBSLVDA-UHFFFAOYSA-N -1 2 376.481 3.010 20 0 GGADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000013278800 601319798 /nfs/dbraw/zinc/31/97/98/601319798.db2.gz GLSZYFUEYOYUQU-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c2cccnc12 ZINC000042676906 601319865 /nfs/dbraw/zinc/31/98/65/601319865.db2.gz HYSJYZFQSMDMIO-UHFFFAOYSA-N -1 2 392.820 3.396 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3n[nH]cc32)c(Cl)cc1Cl ZINC000391794443 601325732 /nfs/dbraw/zinc/32/57/32/601325732.db2.gz BYADMVZAEITYTA-UHFFFAOYSA-N -1 2 386.216 3.369 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(C)(C)C ZINC000604305890 601330827 /nfs/dbraw/zinc/33/08/27/601330827.db2.gz JXTVNIKNCWOVPL-UHFFFAOYSA-N -1 2 379.434 3.372 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000524853180 601332534 /nfs/dbraw/zinc/33/25/34/601332534.db2.gz RHSQRXYJINTCMV-UHFFFAOYSA-N -1 2 395.408 3.122 20 0 GGADLM CCc1cccc(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)c1 ZINC000830270141 601338551 /nfs/dbraw/zinc/33/85/51/601338551.db2.gz MLQSHCLFFJPFPS-UHFFFAOYSA-N -1 2 377.447 3.061 20 0 GGADLM CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000826763491 601358293 /nfs/dbraw/zinc/35/82/93/601358293.db2.gz BFGLNURNJHNGSG-DEBLGDTFSA-N -1 2 377.466 3.389 20 0 GGADLM CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000826763494 601358449 /nfs/dbraw/zinc/35/84/49/601358449.db2.gz BFGLNURNJHNGSG-VIIAAUOXSA-N -1 2 377.466 3.389 20 0 GGADLM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832003908 601383943 /nfs/dbraw/zinc/38/39/43/601383943.db2.gz DAGNDLNVYLYXKI-UHFFFAOYSA-N -1 2 391.232 3.204 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)c(Cl)c1 ZINC000489606570 601491716 /nfs/dbraw/zinc/49/17/16/601491716.db2.gz CZRRYFJVYYEBRB-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM CCCCc1nnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000829441202 601502499 /nfs/dbraw/zinc/50/24/99/601502499.db2.gz RELKKWXYYBRWQG-UHFFFAOYSA-N -1 2 375.859 3.033 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nnc(C3CC3)s2)c(Cl)cc1Cl ZINC000833306254 601502773 /nfs/dbraw/zinc/50/27/73/601502773.db2.gz LNFOUTPTZHTNJU-UHFFFAOYSA-N -1 2 394.261 3.221 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nnc(C2CCCCC2)s1 ZINC000832918333 601503696 /nfs/dbraw/zinc/50/36/96/601503696.db2.gz JKVNZSBUBKMUFL-UHFFFAOYSA-N -1 2 381.479 3.393 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)c1C(=O)[O-] ZINC000832972679 601503857 /nfs/dbraw/zinc/50/38/57/601503857.db2.gz JSHQUZXDOZZGSK-UHFFFAOYSA-N -1 2 395.506 3.468 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nnc(CC2CCCCC2)s1 ZINC000832853002 601503983 /nfs/dbraw/zinc/50/39/83/601503983.db2.gz PSSNBVIWUKYGEY-UHFFFAOYSA-N -1 2 395.506 3.468 20 0 GGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1nnc(CC2CCCCC2)s1 ZINC000833318389 601504038 /nfs/dbraw/zinc/50/40/38/601504038.db2.gz MDVDJHIUTWXJPD-UHFFFAOYSA-N -1 2 399.469 3.299 20 0 GGADLM Cc1ccnc(Oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])s3)cc2)n1 ZINC000832983960 601559223 /nfs/dbraw/zinc/55/92/23/601559223.db2.gz KCBMNPLGQSOXFH-UHFFFAOYSA-N -1 2 391.430 3.138 20 0 GGADLM O=C([O-])c1nscc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000833346299 601603145 /nfs/dbraw/zinc/60/31/45/601603145.db2.gz HZMNLGKNHNBGQI-UHFFFAOYSA-N -1 2 386.760 3.314 20 0 GGADLM Cc1cc(C)c(-c2cc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)[nH]n2)cc1C ZINC000153170804 601604117 /nfs/dbraw/zinc/60/41/17/601604117.db2.gz FSZDCUNUXRTNSY-UHFFFAOYSA-N -1 2 399.472 3.430 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])[nH]n1 ZINC000832975003 601604668 /nfs/dbraw/zinc/60/46/68/601604668.db2.gz SOYWQYJMRYDHHN-UHFFFAOYSA-N -1 2 375.381 3.023 20 0 GGADLM Cc1cc(C)cc(-c2cc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)[nH]n2)c1 ZINC000754843241 601605268 /nfs/dbraw/zinc/60/52/68/601605268.db2.gz VIDNJNQPDOCLAV-UHFFFAOYSA-N -1 2 389.408 3.332 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccccc1CCC(F)(F)F ZINC000833345974 601618272 /nfs/dbraw/zinc/61/82/72/601618272.db2.gz ILQJLDKTSALWRO-UHFFFAOYSA-N -1 2 380.369 3.137 20 0 GGADLM CCc1ccccc1N1CC(=O)C(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)=N1 ZINC000830270373 601755839 /nfs/dbraw/zinc/75/58/39/601755839.db2.gz OOLREPFGPJZIIL-UHFFFAOYSA-N -1 2 383.404 3.012 20 0 GGADLM O=C([O-])Cc1csc(NS(=O)(=O)c2ccc(Cl)c3ccccc32)n1 ZINC000833269927 601767741 /nfs/dbraw/zinc/76/77/41/601767741.db2.gz SRGBBHWEFGYENU-UHFFFAOYSA-N -1 2 382.850 3.378 20 0 GGADLM Cc1nc(NS(=O)(=O)c2cc(Br)sc2C)sc1C(=O)[O-] ZINC000833003204 601767877 /nfs/dbraw/zinc/76/78/77/601767877.db2.gz QQCLANDDSVFMRV-UHFFFAOYSA-N -1 2 397.297 3.083 20 0 GGADLM CCC[C@H]1CCc2nc(NS(=O)(=O)c3csnc3C(=O)[O-])sc2C1 ZINC000829267332 601768346 /nfs/dbraw/zinc/76/83/46/601768346.db2.gz SJRQITYVAPFMKB-QMMMGPOBSA-N -1 2 387.508 3.004 20 0 GGADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000393086402 601770925 /nfs/dbraw/zinc/77/09/25/601770925.db2.gz HVOWJXJLCGDWPS-UHFFFAOYSA-N -1 2 394.396 3.370 20 0 GGADLM Cn1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000833050854 601783944 /nfs/dbraw/zinc/78/39/44/601783944.db2.gz NOKDMCJRDJCRFU-UHFFFAOYSA-N -1 2 383.640 3.484 20 0 GGADLM CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2c[nH]c(C(=O)[O-])c2)C1 ZINC000829744772 601791175 /nfs/dbraw/zinc/79/11/75/601791175.db2.gz MMPKVIXIAGQMGV-QPEQYQDCSA-N -1 2 377.400 3.335 20 0 GGADLM CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2c[nH]c(C(=O)[O-])c2)C1 ZINC000829744772 601791176 /nfs/dbraw/zinc/79/11/76/601791176.db2.gz MMPKVIXIAGQMGV-QPEQYQDCSA-N -1 2 377.400 3.335 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000833346590 601830891 /nfs/dbraw/zinc/83/08/91/601830891.db2.gz SLPOKMCQRRPTHB-UHFFFAOYSA-N -1 2 376.415 3.434 20 0 GGADLM CC(C)COc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1Cl ZINC000826905447 601834255 /nfs/dbraw/zinc/83/42/55/601834255.db2.gz LHRYBJGMFQJLTF-UHFFFAOYSA-N -1 2 390.870 3.330 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000833344855 601835235 /nfs/dbraw/zinc/83/52/35/601835235.db2.gz DZIFIOJWHBPTGQ-UHFFFAOYSA-N -1 2 391.430 3.175 20 0 GGADLM Cc1cc(Br)cc(C)c1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000832858531 601835787 /nfs/dbraw/zinc/83/57/87/601835787.db2.gz KXLCRQZMAXAACA-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM CC(C)COc1ccccc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000826905864 601836506 /nfs/dbraw/zinc/83/65/06/601836506.db2.gz WJQFMCOLRPKFSX-UHFFFAOYSA-N -1 2 384.841 3.269 20 0 GGADLM CCOc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877903 601837300 /nfs/dbraw/zinc/83/73/00/601837300.db2.gz URLVRRDOJBAWHY-UHFFFAOYSA-N -1 2 398.799 3.248 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(COc2ccccc2)c1 ZINC000833347003 601837399 /nfs/dbraw/zinc/83/73/99/601837399.db2.gz ZIDCZTXIMDJVBV-UHFFFAOYSA-N -1 2 390.442 3.221 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c2n[nH]cc21 ZINC000063878014 601838057 /nfs/dbraw/zinc/83/80/57/601838057.db2.gz LCHLBTHOGACSEZ-UHFFFAOYSA-N -1 2 383.788 3.163 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)ccc1Cl ZINC000833306032 601844103 /nfs/dbraw/zinc/84/41/03/601844103.db2.gz NMEYVKKDWQXBSC-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2-c2ccccc2)ccc1Cl ZINC000833306207 601844227 /nfs/dbraw/zinc/84/42/27/601844227.db2.gz FICJZIFRMHBBBW-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)ccc1Cl ZINC000833306235 601844269 /nfs/dbraw/zinc/84/42/69/601844269.db2.gz LCKOPKGXVMUWBZ-UHFFFAOYSA-N -1 2 395.849 3.358 20 0 GGADLM CC[C@@H]1CCc2nc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2C1 ZINC000829134058 601847544 /nfs/dbraw/zinc/84/75/44/601847544.db2.gz LFBWEKMUPQXFOS-SECBINFHSA-N -1 2 384.454 3.296 20 0 GGADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2c(s1)CCCCCC2 ZINC000833294214 601847739 /nfs/dbraw/zinc/84/77/39/601847739.db2.gz NGRXNRLWKZJLGZ-UHFFFAOYSA-N -1 2 384.454 3.440 20 0 GGADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000833293580 601848003 /nfs/dbraw/zinc/84/80/03/601848003.db2.gz DBOPKWGXOSJAEP-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)ccc1C(=O)[O-] ZINC000671660606 601854896 /nfs/dbraw/zinc/85/48/96/601854896.db2.gz TUHICEOXNGDTFH-AWEZNQCLSA-N -1 2 385.445 3.300 20 0 GGADLM Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833060121 601964876 /nfs/dbraw/zinc/96/48/76/601964876.db2.gz QYYIBVOBUJPZMH-UHFFFAOYSA-N -1 2 381.429 3.106 20 0 GGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)c1C ZINC000832866875 602103901 /nfs/dbraw/zinc/10/39/01/602103901.db2.gz YDXUXMVMCJTFBQ-UHFFFAOYSA-N -1 2 395.487 3.382 20 0 GGADLM CC[C@@H](C)c1ccc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000828770177 602104278 /nfs/dbraw/zinc/10/42/78/602104278.db2.gz FGYNQXNICNEWNT-LLVKDONJSA-N -1 2 383.495 3.260 20 0 GGADLM O=C([O-])c1csc(NS(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000833343651 602116352 /nfs/dbraw/zinc/11/63/52/602116352.db2.gz LARKWVSBLBLNCZ-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000831851884 602119634 /nfs/dbraw/zinc/11/96/34/602119634.db2.gz MHIIMMBRBPQDNJ-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM O=C([O-])COc1ccc(NS(=O)(=O)c2cccc(F)c2F)c2ccccc12 ZINC000833258921 602124911 /nfs/dbraw/zinc/12/49/11/602124911.db2.gz AZNHVEPSCFWYDJ-UHFFFAOYSA-N -1 2 393.367 3.382 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2O)c(Cl)cc1Cl ZINC000755260275 602201115 /nfs/dbraw/zinc/20/11/15/602201115.db2.gz XKDITOGSDQMTTR-UHFFFAOYSA-N -1 2 380.180 3.337 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2cc(CCc3ccccc3)n[nH]2)cc1C(=O)[O-] ZINC000832955778 602306653 /nfs/dbraw/zinc/30/66/53/602306653.db2.gz DPNLCVDAAOFALW-UHFFFAOYSA-N -1 2 385.445 3.002 20 0 GGADLM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1nnc(-c2ccccc2)s1 ZINC000833318327 602307438 /nfs/dbraw/zinc/30/74/38/602307438.db2.gz XZDBUQNFZQIFII-UHFFFAOYSA-N -1 2 395.849 3.358 20 0 GGADLM O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cc(F)ccc1O ZINC000833312169 602308454 /nfs/dbraw/zinc/30/84/54/602308454.db2.gz KUYDSBJNRIWXJR-UHFFFAOYSA-N -1 2 379.287 3.049 20 0 GGADLM Cc1cc(C)cc(-c2nnc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)s2)c1 ZINC000832875255 604402530 /nfs/dbraw/zinc/40/25/30/604402530.db2.gz QJTAHPDTSKXJAB-UHFFFAOYSA-N -1 2 389.458 3.321 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)cc1C(F)(F)F ZINC000832956506 604623266 /nfs/dbraw/zinc/62/32/66/604623266.db2.gz ITAFHLGPTIGPKO-UHFFFAOYSA-N -1 2 394.396 3.288 20 0 GGADLM O=C([O-])CCc1csc(NS(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000833243161 604625043 /nfs/dbraw/zinc/62/50/43/604625043.db2.gz AOXDIFKFQPXITD-UHFFFAOYSA-N -1 2 381.262 3.268 20 0 GGADLM O=C([O-])COc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1Cl ZINC000833259147 604807471 /nfs/dbraw/zinc/80/74/71/604807471.db2.gz KHUPJQMYGCHRMP-UHFFFAOYSA-N -1 2 394.207 3.397 20 0 GGADLM Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cc(Cl)ccc3C(=O)[O-])c2C)o1 ZINC000832907224 604809151 /nfs/dbraw/zinc/80/91/51/604809151.db2.gz PIKNBYGGRJIAEH-UHFFFAOYSA-N -1 2 395.824 3.439 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000536302843 604901562 /nfs/dbraw/zinc/90/15/62/604901562.db2.gz IQGWRWDOWVVIIR-UHFFFAOYSA-N -1 2 387.408 3.284 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1C(=O)[O-] ZINC000534058684 604902053 /nfs/dbraw/zinc/90/20/53/604902053.db2.gz FEJKGJBTEUTEEI-UHFFFAOYSA-N -1 2 387.408 3.284 20 0 GGADLM CCc1nc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000833674896 604990947 /nfs/dbraw/zinc/99/09/47/604990947.db2.gz HAOPVVKMRNKBEF-UHFFFAOYSA-N -1 2 394.396 3.364 20 0 GGADLM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cc(F)cc(Cl)c1O ZINC000830007223 604995422 /nfs/dbraw/zinc/99/54/22/604995422.db2.gz KUNPACZWUCBKPL-UHFFFAOYSA-N -1 2 385.775 3.155 20 0 GGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cccc(Br)c1 ZINC000833741345 605126697 /nfs/dbraw/zinc/12/66/97/605126697.db2.gz IPPJWFYBSKQYAV-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000833741581 605127357 /nfs/dbraw/zinc/12/73/57/605127357.db2.gz SGJNINCNDLRRJX-UHFFFAOYSA-N -1 2 381.353 3.454 20 0 GGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000833741542 605127484 /nfs/dbraw/zinc/12/74/84/605127484.db2.gz RHECEHDKTTVPCC-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM O=C([O-])C1(CNC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CCOCC1 ZINC000833766334 605136825 /nfs/dbraw/zinc/13/68/25/605136825.db2.gz MYVHYYORCANQNA-UHFFFAOYSA-N -1 2 389.835 3.324 20 0 GGADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1cccc2c(C(=O)[O-])nccc21 ZINC000833727388 605152233 /nfs/dbraw/zinc/15/22/33/605152233.db2.gz VAXMRMBJQHRORO-UHFFFAOYSA-N -1 2 394.355 3.021 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n(C)n1 ZINC000833753228 605168003 /nfs/dbraw/zinc/16/80/03/605168003.db2.gz PHADZZIWSXGIHV-UHFFFAOYSA-N -1 2 389.408 3.034 20 0 GGADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833726580 605168659 /nfs/dbraw/zinc/16/86/59/605168659.db2.gz CXUBIXQNHWTYDE-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM CC(C)(C)[C@H]1CCc2nc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)sc2C1 ZINC000833427200 605304545 /nfs/dbraw/zinc/30/45/45/605304545.db2.gz YPGPQWGDQOSDNV-VIFPVBQESA-N -1 2 383.495 3.121 20 0 GGADLM CC(C)(C)[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)sc2C1 ZINC000833426437 605304549 /nfs/dbraw/zinc/30/45/49/605304549.db2.gz UGOYQVNDNMOUNG-SNVBAGLBSA-N -1 2 395.506 3.188 20 0 GGADLM CC(C)[N@H+](Cc1ccccn1)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000824297701 609358248 /nfs/dbraw/zinc/35/82/48/609358248.db2.gz ZGURCXUIYHGMJH-UHFFFAOYSA-N -1 2 387.285 3.435 20 0 GGADLM CC(C)[N@@H+](Cc1ccccn1)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000824297701 609358253 /nfs/dbraw/zinc/35/82/53/609358253.db2.gz ZGURCXUIYHGMJH-UHFFFAOYSA-N -1 2 387.285 3.435 20 0 GGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccn(Cc3ccccc3)n2)cc1C(=O)[O-] ZINC000055635601 1407034363 /nfs/dbraw/zinc/03/43/63/1407034363.db2.gz UFRIJNJELSNKHX-UHFFFAOYSA-N -1 2 385.445 3.047 20 0 GGADLM Cc1cscc1NS(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000161611457 1424724767 /nfs/dbraw/zinc/72/47/67/1424724767.db2.gz GGALMVVWKXJTIW-UHFFFAOYSA-N -1 2 382.282 3.380 20 0 GGADLM Cc1cc(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)c1 ZINC000097992589 1410393121 /nfs/dbraw/zinc/39/31/21/1410393121.db2.gz TWBMMOCFYUISLL-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000121711798 1414232216 /nfs/dbraw/zinc/23/22/16/1414232216.db2.gz BJAHBEFTBBNPFI-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000125712142 1415259585 /nfs/dbraw/zinc/25/95/85/1415259585.db2.gz GCFNPNJZXPGDDV-LBPRGKRZSA-N -1 2 399.438 3.003 20 0 GGADLM COc1ccc(-c2n[nH]c(NC(=O)c3cc(F)c(F)c(F)c3F)n2)c(OC)c1 ZINC000127848385 1415862571 /nfs/dbraw/zinc/86/25/71/1415862571.db2.gz GRQPBYKRRGZSEE-UHFFFAOYSA-N -1 2 396.300 3.298 20 0 GGADLM O=C([O-])CCCc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000134618819 1417098162 /nfs/dbraw/zinc/09/81/62/1417098162.db2.gz DFBPMYCBVFNTLP-UHFFFAOYSA-N -1 2 385.445 3.080 20 0 GGADLM Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000134677339 1417111455 /nfs/dbraw/zinc/11/14/55/1417111455.db2.gz YJRJEJIOWNEYLG-UHFFFAOYSA-N -1 2 394.355 3.427 20 0 GGADLM Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)cc2)o1 ZINC000179242652 1429303183 /nfs/dbraw/zinc/30/31/83/1429303183.db2.gz TZEIZEMTJRDQKH-UHFFFAOYSA-N -1 2 394.355 3.427 20 0 GGADLM Cc1cc(F)c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000822203213 1429360259 /nfs/dbraw/zinc/36/02/59/1429360259.db2.gz JGBNZOGGMOGFMY-UHFFFAOYSA-N -1 2 396.300 3.412 20 0 GGADLM Cc1cc(F)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1F ZINC000822203213 1429360267 /nfs/dbraw/zinc/36/02/67/1429360267.db2.gz JGBNZOGGMOGFMY-UHFFFAOYSA-N -1 2 396.300 3.412 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cnn1-c1ccccc1 ZINC000152586938 1422153108 /nfs/dbraw/zinc/15/31/08/1422153108.db2.gz SCPREVWLWWNMKY-UHFFFAOYSA-N -1 2 397.456 3.168 20 0 GGADLM CC(C)(c1nnc(NC(=O)c2cc(-c3nnn[n-]3)cs2)s1)c1ccccc1 ZINC000820005249 1423244672 /nfs/dbraw/zinc/24/46/72/1423244672.db2.gz NPPVXYFKSPEMFV-UHFFFAOYSA-N -1 2 397.489 3.358 20 0 GGADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc(-c3cnco3)c2)cc1C(=O)[O-] ZINC000156301091 1423765205 /nfs/dbraw/zinc/76/52/05/1423765205.db2.gz PXXRHEJFFNMZCN-UHFFFAOYSA-N -1 2 376.365 3.288 20 0 GGADLM Cc1cc(C(=O)Nc2ccccc2CCC(F)(F)F)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000157095199 1423924228 /nfs/dbraw/zinc/92/42/28/1423924228.db2.gz KYTSSPHSZQNCQP-UHFFFAOYSA-N -1 2 392.337 3.079 20 0 GGADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 ZINC000160046246 1424566897 /nfs/dbraw/zinc/56/68/97/1424566897.db2.gz YEDBLZQMOCHCPY-UHFFFAOYSA-N -1 2 394.355 3.482 20 0 GGADLM C[C@H](NC(=O)Nc1nnc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380395 1425062365 /nfs/dbraw/zinc/06/23/65/1425062365.db2.gz RVEABZDCQBNWPP-NSHDSACASA-N -1 2 392.448 3.268 20 0 GGADLM C[C@H](NC(=O)Nc1nnc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380395 1425062369 /nfs/dbraw/zinc/06/23/69/1425062369.db2.gz RVEABZDCQBNWPP-NSHDSACASA-N -1 2 392.448 3.268 20 0 GGADLM CCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000821394147 1425777335 /nfs/dbraw/zinc/77/73/35/1425777335.db2.gz HZSHLUASCBISCR-UHFFFAOYSA-N -1 2 393.856 3.028 20 0 GGADLM CCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000821394147 1425777338 /nfs/dbraw/zinc/77/73/38/1425777338.db2.gz HZSHLUASCBISCR-UHFFFAOYSA-N -1 2 393.856 3.028 20 0 GGADLM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000737301449 1426313454 /nfs/dbraw/zinc/31/34/54/1426313454.db2.gz OAOFKNJANZEEKD-UHFFFAOYSA-N -1 2 392.444 3.038 20 0 GGADLM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000737301449 1426313460 /nfs/dbraw/zinc/31/34/60/1426313460.db2.gz OAOFKNJANZEEKD-UHFFFAOYSA-N -1 2 392.444 3.038 20 0 GGADLM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1nc(-c2cccs2)ns1 ZINC000826402565 1426648193 /nfs/dbraw/zinc/64/81/93/1426648193.db2.gz XGHPEXDNPANTNV-FPLPWBNLSA-N -1 2 381.446 3.099 20 0 GGADLM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc(-c2cccs2)ns1 ZINC000826402565 1426648197 /nfs/dbraw/zinc/64/81/97/1426648197.db2.gz XGHPEXDNPANTNV-FPLPWBNLSA-N -1 2 381.446 3.099 20 0 GGADLM CCc1sc(C(=O)Nc2ccnn2-c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000736712914 1426907482 /nfs/dbraw/zinc/90/74/82/1426907482.db2.gz IKFHYMWPQBOARW-UHFFFAOYSA-N -1 2 379.449 3.237 20 0 GGADLM CCc1sc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000736712914 1426907487 /nfs/dbraw/zinc/90/74/87/1426907487.db2.gz IKFHYMWPQBOARW-UHFFFAOYSA-N -1 2 379.449 3.237 20 0 GGADLM Cc1ccc(-c2nsc(NC(=O)c3ccc(-c4nnn[n-]4)s3)n2)s1 ZINC000822223892 1427126696 /nfs/dbraw/zinc/12/66/96/1427126696.db2.gz OGHZGYNHMQWINR-UHFFFAOYSA-N -1 2 375.464 3.069 20 0 GGADLM O=C(c1cccc(Cl)c1O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826473587 1427226003 /nfs/dbraw/zinc/22/60/03/1427226003.db2.gz DVIRVOMLUCICJP-UHFFFAOYSA-N -1 2 381.823 3.155 20 0 GGADLM O=C(c1cccc(Cl)c1O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473587 1427226013 /nfs/dbraw/zinc/22/60/13/1427226013.db2.gz DVIRVOMLUCICJP-UHFFFAOYSA-N -1 2 381.823 3.155 20 0 GGADLM CCNc1ccc(-c2nnn[n-]2)cc1NS(=O)(=O)c1cc(C)ccc1Cl ZINC000825480805 1427268773 /nfs/dbraw/zinc/26/87/73/1427268773.db2.gz LWUPSLGDHWISAE-UHFFFAOYSA-N -1 2 392.872 3.061 20 0 GGADLM CCNc1ccc(-c2nn[n-]n2)cc1NS(=O)(=O)c1cc(C)ccc1Cl ZINC000825480805 1427268776 /nfs/dbraw/zinc/26/87/76/1427268776.db2.gz LWUPSLGDHWISAE-UHFFFAOYSA-N -1 2 392.872 3.061 20 0 GGADLM C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820445136 1427490499 /nfs/dbraw/zinc/49/04/99/1427490499.db2.gz NXKASQHBEUWEBT-CYBMUJFWSA-N -1 2 379.445 3.059 20 0 GGADLM C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820445136 1427490505 /nfs/dbraw/zinc/49/05/05/1427490505.db2.gz NXKASQHBEUWEBT-CYBMUJFWSA-N -1 2 379.445 3.059 20 0 GGADLM O=S(=O)(Nc1cc(F)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492290 1427780295 /nfs/dbraw/zinc/78/02/95/1427780295.db2.gz BECRAMDHTHQWNQ-UHFFFAOYSA-N -1 2 388.211 3.113 20 0 GGADLM O=S(=O)(Nc1cc(F)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492290 1427780298 /nfs/dbraw/zinc/78/02/98/1427780298.db2.gz BECRAMDHTHQWNQ-UHFFFAOYSA-N -1 2 388.211 3.113 20 0 GGADLM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000824756861 1427976494 /nfs/dbraw/zinc/97/64/94/1427976494.db2.gz QXPCYRXYTDDHCG-MRVPVSSYSA-N -1 2 394.218 3.285 20 0 GGADLM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000824756861 1427976499 /nfs/dbraw/zinc/97/64/99/1427976499.db2.gz QXPCYRXYTDDHCG-MRVPVSSYSA-N -1 2 394.218 3.285 20 0 GGADLM O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1nc(-c2cccs2)ns1 ZINC000826402564 1430187458 /nfs/dbraw/zinc/18/74/58/1430187458.db2.gz XGHPEXDNPANTNV-BQYQJAHWSA-N -1 2 381.446 3.099 20 0 GGADLM O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc(-c2cccs2)ns1 ZINC000826402564 1430187462 /nfs/dbraw/zinc/18/74/62/1430187462.db2.gz XGHPEXDNPANTNV-BQYQJAHWSA-N -1 2 381.446 3.099 20 0 GGADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000181737547 1430350407 /nfs/dbraw/zinc/35/04/07/1430350407.db2.gz DYCVERGTGIPYQV-UHFFFAOYSA-N -1 2 393.509 3.364 20 0 GGADLM C[C@H](C1CC1)n1cc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC000187716219 1431803196 /nfs/dbraw/zinc/80/31/96/1431803196.db2.gz YTSRUQWOUSFUIO-MRVPVSSYSA-N -1 2 387.820 3.146 20 0 GGADLM Cc1ccc(-n2cc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cn2)c(C)c1 ZINC000191897126 1432750225 /nfs/dbraw/zinc/75/02/25/1432750225.db2.gz BHFBVJIBVWFAPW-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(C)(C)C ZINC000265253569 1434207598 /nfs/dbraw/zinc/20/75/98/1434207598.db2.gz KSICEDKLLLUAEQ-UHFFFAOYSA-N -1 2 393.461 3.300 20 0 GGADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(C)(C)C)c1O ZINC000274817520 1435095284 /nfs/dbraw/zinc/09/52/84/1435095284.db2.gz RMIARNRDWUFKJM-UHFFFAOYSA-N -1 2 393.461 3.126 20 0 GGADLM CCc1c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1CCC(C)C ZINC000276907516 1435241799 /nfs/dbraw/zinc/24/17/99/1435241799.db2.gz MTQRCTMOELDXJC-UHFFFAOYSA-N -1 2 393.509 3.310 20 0 GGADLM CCc1ccc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000825716928 1441449969 /nfs/dbraw/zinc/44/99/69/1441449969.db2.gz CYUNYRYDWFFADR-UHFFFAOYSA-N -1 2 381.820 3.022 20 0 GGADLM CCc1ccc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000825716928 1441449972 /nfs/dbraw/zinc/44/99/72/1441449972.db2.gz CYUNYRYDWFFADR-UHFFFAOYSA-N -1 2 381.820 3.022 20 0 GGADLM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Nc1cnc(-c2ccccc2)s1 ZINC000826280385 1441565461 /nfs/dbraw/zinc/56/54/61/1441565461.db2.gz ZVEYXLGAQBHAIR-UHFFFAOYSA-N -1 2 398.473 3.099 20 0 GGADLM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Nc1cnc(-c2ccccc2)s1 ZINC000826280385 1441565464 /nfs/dbraw/zinc/56/54/64/1441565464.db2.gz ZVEYXLGAQBHAIR-UHFFFAOYSA-N -1 2 398.473 3.099 20 0 GGADLM O=C(Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1)C1=CCCC1 ZINC000823382631 1441571832 /nfs/dbraw/zinc/57/18/32/1441571832.db2.gz BFXVGJKHEQKOGY-UHFFFAOYSA-N -1 2 385.478 3.059 20 0 GGADLM O=C(Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1)C1=CCCC1 ZINC000823382631 1441571833 /nfs/dbraw/zinc/57/18/33/1441571833.db2.gz BFXVGJKHEQKOGY-UHFFFAOYSA-N -1 2 385.478 3.059 20 0 GGADLM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1nc(Sc2ccccc2)ns1 ZINC000737956472 1443549288 /nfs/dbraw/zinc/54/92/88/1443549288.db2.gz ZVEXYILRXKHHGL-UHFFFAOYSA-N -1 2 395.473 3.051 20 0 GGADLM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1nc(Sc2ccccc2)ns1 ZINC000737956472 1443549291 /nfs/dbraw/zinc/54/92/91/1443549291.db2.gz ZVEXYILRXKHHGL-UHFFFAOYSA-N -1 2 395.473 3.051 20 0 GGADLM CCNc1ccc(-c2nnn[n-]2)cc1NS(=O)(=O)c1cccc(C)c1Cl ZINC000825481048 1446377056 /nfs/dbraw/zinc/37/70/56/1446377056.db2.gz SLJSDGNKBVCPBW-UHFFFAOYSA-N -1 2 392.872 3.061 20 0 GGADLM CCNc1ccc(-c2nn[n-]n2)cc1NS(=O)(=O)c1cccc(C)c1Cl ZINC000825481048 1446377061 /nfs/dbraw/zinc/37/70/61/1446377061.db2.gz SLJSDGNKBVCPBW-UHFFFAOYSA-N -1 2 392.872 3.061 20 0 GGADLM CCSc1cccc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825673784 1447284973 /nfs/dbraw/zinc/28/49/73/1447284973.db2.gz BVOBEEJGRYPENG-UHFFFAOYSA-N -1 2 395.897 3.433 20 0 GGADLM CCSc1cccc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825673784 1447284979 /nfs/dbraw/zinc/28/49/79/1447284979.db2.gz BVOBEEJGRYPENG-UHFFFAOYSA-N -1 2 395.897 3.433 20 0 GGADLM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nnc(CC2CCCCC2)s1 ZINC000823109032 1449621714 /nfs/dbraw/zinc/62/17/14/1449621714.db2.gz VTZIDWMHZRRGMZ-UHFFFAOYSA-N -1 2 383.481 3.022 20 0 GGADLM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nnc(CC2CCCCC2)s1 ZINC000823109032 1449621719 /nfs/dbraw/zinc/62/17/19/1449621719.db2.gz VTZIDWMHZRRGMZ-UHFFFAOYSA-N -1 2 383.481 3.022 20 0 GGADLM O=C([O-])COc1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000322142919 970852110 /nfs/dbraw/zinc/85/21/10/970852110.db2.gz WWRLANYJDIVCDL-UHFFFAOYSA-N -1 2 376.217 3.258 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl ZINC000324210270 971097431 /nfs/dbraw/zinc/09/74/31/971097431.db2.gz UUDUWVNKUYFIRG-UHFFFAOYSA-N -1 2 391.188 3.401 20 0 GGADLM CCOc1ccccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000326623803 971310724 /nfs/dbraw/zinc/31/07/24/971310724.db2.gz AEQJWPDKJQVHEP-UHFFFAOYSA-N -1 2 385.825 3.246 20 0 GGADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 ZINC000326681491 971316427 /nfs/dbraw/zinc/31/64/27/971316427.db2.gz NHCSFDVWPOFRQI-UHFFFAOYSA-N -1 2 383.809 3.050 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c1C(=O)[O-] ZINC000327288593 971384191 /nfs/dbraw/zinc/38/41/91/971384191.db2.gz LVXKKZSIQRWRIK-UHFFFAOYSA-N -1 2 379.312 3.294 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000371115860 971555523 /nfs/dbraw/zinc/55/55/23/971555523.db2.gz BOWVSVDURLEPFJ-UHFFFAOYSA-N -1 2 399.428 3.002 20 0 GGADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1coc(C=CC(=O)[O-])c1 ZINC001589673694 949962879 /nfs/dbraw/zinc/96/28/79/949962879.db2.gz QUCLEHOJZJZWDC-ARJAWSKDSA-N -1 2 387.417 3.140 20 0 GGADLM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000650501045 954019437 /nfs/dbraw/zinc/01/94/37/954019437.db2.gz KDCXUHYQDMVDRI-QMTHXVAHSA-N -1 2 387.436 3.228 20 0 GGADLM Cc1cc(Br)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000007230569 956882718 /nfs/dbraw/zinc/88/27/18/956882718.db2.gz AQHSHYPFDOSPEQ-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc(Br)c(F)cc2O)c2ccccc21 ZINC001594727314 957016240 /nfs/dbraw/zinc/01/62/40/957016240.db2.gz RJWTUTVCDHAHRW-IINYFYTJSA-N -1 2 394.196 3.337 20 0 GGADLM COCCOc1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000048382769 957457686 /nfs/dbraw/zinc/45/76/86/957457686.db2.gz LJZVRGGGOLWYGB-UHFFFAOYSA-N -1 2 399.852 3.173 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c1 ZINC000078953790 957754049 /nfs/dbraw/zinc/75/40/49/957754049.db2.gz OILUUEFWDDHUPN-UHFFFAOYSA-N -1 2 392.330 3.299 20 0 GGADLM COc1ccc(-c2cc3[nH]c(CN([C@H](C)C(=O)[O-])C4CC4)nc(=O)c3s2)cc1 ZINC001594071190 958185332 /nfs/dbraw/zinc/18/53/32/958185332.db2.gz JLTMQIKHJWMBIW-LLVKDONJSA-N -1 2 399.472 3.098 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)sc1C(=O)[O-] ZINC000391886509 972385951 /nfs/dbraw/zinc/38/59/51/972385951.db2.gz UDZODGPPRJTXCO-UHFFFAOYSA-N -1 2 381.353 3.454 20 0 GGADLM Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2)o1 ZINC000174046271 959421075 /nfs/dbraw/zinc/42/10/75/959421075.db2.gz YCYYXWLDURFSTB-UHFFFAOYSA-N -1 2 376.365 3.288 20 0 GGADLM Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2)o1 ZINC000174671337 959422405 /nfs/dbraw/zinc/42/24/05/959422405.db2.gz FDOFYCLRBLJSPI-UHFFFAOYSA-N -1 2 376.365 3.288 20 0 GGADLM CCc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccccc1C ZINC000189458232 959509444 /nfs/dbraw/zinc/50/94/44/959509444.db2.gz FUQAAFIGGHJTSJ-UHFFFAOYSA-N -1 2 391.474 3.304 20 0 GGADLM Cc1cc(Br)cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000230224566 960131438 /nfs/dbraw/zinc/13/14/38/960131438.db2.gz ISRYZBSFAINOAU-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM CC(C)(C)c1nnc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)s1 ZINC001259212720 960665672 /nfs/dbraw/zinc/66/56/72/960665672.db2.gz VNLCABSAPNZHMJ-UHFFFAOYSA-N -1 2 393.849 3.127 20 0 GGADLM CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cn1 ZINC001259213985 960667318 /nfs/dbraw/zinc/66/73/18/960667318.db2.gz WUJGAQLHYSDWTR-UHFFFAOYSA-N -1 2 388.804 3.160 20 0 GGADLM Cc1nc2cc(NS(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)ccc2o1 ZINC001259218718 960677485 /nfs/dbraw/zinc/67/74/85/960677485.db2.gz HTZMWZUXTINNJN-UHFFFAOYSA-N -1 2 384.772 3.428 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(-c2cccc(C)c2)n1 ZINC001260209734 960704245 /nfs/dbraw/zinc/70/42/45/960704245.db2.gz FONGNBCABAOZRQ-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cnn1C1CCCC1 ZINC000277586906 962850936 /nfs/dbraw/zinc/85/09/36/962850936.db2.gz LCWDSHPIMBYDED-UHFFFAOYSA-N -1 2 381.429 3.253 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2cc(C)n(C3CCCCC3)n2)cc1C(=O)[O-] ZINC000290503145 962896068 /nfs/dbraw/zinc/89/60/68/962896068.db2.gz KTECYCOBWWKOAD-UHFFFAOYSA-N -1 2 393.465 3.204 20 0 GGADLM O=C([O-])COc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000314711446 963795198 /nfs/dbraw/zinc/79/51/98/963795198.db2.gz KQGIRHFTTYDYCN-UHFFFAOYSA-N -1 2 382.246 3.319 20 0 GGADLM CC(C)n1cc2cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)ccc2n1 ZINC000438754197 974101065 /nfs/dbraw/zinc/10/10/65/974101065.db2.gz CIGDOKBMLQDGSW-UHFFFAOYSA-N -1 2 377.397 3.255 20 0 GGADLM Cc1ccc(-n2cc(NS(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)cn2)c(C)c1 ZINC000466426369 974190162 /nfs/dbraw/zinc/19/01/62/974190162.db2.gz QRWKNJQDIGHLPN-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000467763082 974191591 /nfs/dbraw/zinc/19/15/91/974191591.db2.gz QWUKVSLIJUUSFS-ZDUSSCGKSA-N -1 2 395.433 3.035 20 0 GGADLM CCc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1C(CC)CC ZINC000480201094 974219092 /nfs/dbraw/zinc/21/90/92/974219092.db2.gz URTPQGLELVVNAD-UHFFFAOYSA-N -1 2 383.445 3.445 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000484175440 974221177 /nfs/dbraw/zinc/22/11/77/974221177.db2.gz QMWCHFQJGFFNQK-UHFFFAOYSA-N -1 2 398.400 3.025 20 0 GGADLM CC(C)CCn1ncc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C(C)C ZINC000486085622 974243945 /nfs/dbraw/zinc/24/39/45/974243945.db2.gz KOIIIQATAJJAOX-UHFFFAOYSA-N -1 2 393.509 3.481 20 0 GGADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C1CC1 ZINC000534976033 974379944 /nfs/dbraw/zinc/37/99/44/974379944.db2.gz KRZIFWYOYPRULU-JTQLQIEISA-N -1 2 381.429 3.370 20 0 GGADLM CCCc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000543951431 974419680 /nfs/dbraw/zinc/41/96/80/974419680.db2.gz GOBFVZUDOAHPOM-UHFFFAOYSA-N -1 2 391.474 3.385 20 0 GGADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000548209803 974455539 /nfs/dbraw/zinc/45/55/39/974455539.db2.gz RCINSJRNWCNLLG-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C(C)C ZINC000584693220 974957641 /nfs/dbraw/zinc/95/76/41/974957641.db2.gz RHPLEBJJDFVJMB-UHFFFAOYSA-N -1 2 379.482 3.090 20 0 GGADLM Cc1nc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)cc2)oc1C ZINC000673629395 976010941 /nfs/dbraw/zinc/01/09/41/976010941.db2.gz JTLXRTOLKJAOLC-UHFFFAOYSA-N -1 2 376.390 3.359 20 0 GGADLM CC(C)c1nc(NS(=O)(=O)c2cccc3c2OCCC3)sc1C(=O)[O-] ZINC001592030869 976738988 /nfs/dbraw/zinc/73/89/88/976738988.db2.gz ZIUXXWRHBMZJIQ-UHFFFAOYSA-N -1 2 382.463 3.091 20 0 GGADLM CC(C)c1sc(NC(=O)c2ncc(Br)cc2O)nc1C(=O)[O-] ZINC001592114487 976908112 /nfs/dbraw/zinc/90/81/12/976908112.db2.gz FQUNLCLCQUCRDQ-UHFFFAOYSA-N -1 2 386.227 3.080 20 0 GGADLM O=C([O-])CCSCc1cccc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000739753166 978652987 /nfs/dbraw/zinc/65/29/87/978652987.db2.gz CTIQIITVTVTCCZ-UHFFFAOYSA-N -1 2 387.429 3.474 20 0 GGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)c1 ZINC000745977847 978679914 /nfs/dbraw/zinc/67/99/14/978679914.db2.gz CDSNLQXDIGJHQT-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1N1CCSCC1 ZINC000749834653 978690647 /nfs/dbraw/zinc/69/06/47/978690647.db2.gz HEFIBPXEZNIOPP-UHFFFAOYSA-N -1 2 398.531 3.109 20 0 GGADLM COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000758171139 978704653 /nfs/dbraw/zinc/70/46/53/978704653.db2.gz ULXCCOIFEAJMSP-UHFFFAOYSA-N -1 2 392.820 3.396 20 0 GGADLM COC(=O)c1ccc2ccccc2c1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000776740681 978775001 /nfs/dbraw/zinc/77/50/01/978775001.db2.gz AEDPOTGLNCBWQU-UHFFFAOYSA-N -1 2 391.426 3.187 20 0 GGADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(O)c1 ZINC000785490873 978794432 /nfs/dbraw/zinc/79/44/32/978794432.db2.gz GRJKQBLPMKDZCR-UHFFFAOYSA-N -1 2 392.216 3.207 20 0 GGADLM COc1cc(F)c(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000811713200 978855761 /nfs/dbraw/zinc/85/57/61/978855761.db2.gz VCJYJMIPJLFIGL-UHFFFAOYSA-N -1 2 395.742 3.265 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000832204270 979041147 /nfs/dbraw/zinc/04/11/47/979041147.db2.gz VYHTUNDMZUVYII-UHFFFAOYSA-N -1 2 393.314 3.352 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2ccccc2)s1 ZINC000832868814 979051698 /nfs/dbraw/zinc/05/16/98/979051698.db2.gz UPKKOIHEBXBGGX-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c1C ZINC001595029425 979157518 /nfs/dbraw/zinc/15/75/18/979157518.db2.gz XHTHBVFUEMSLSL-LLVKDONJSA-N -1 2 388.449 3.210 20 0 GGADLM C[C@@H](Cc1nnc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)o1)CC(C)(C)C ZINC001592912475 979877802 /nfs/dbraw/zinc/87/78/02/979877802.db2.gz ICKNJBBXSDJVCM-JTQLQIEISA-N -1 2 399.444 3.323 20 0 GGADLM C[C@@H](Cc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)o1)CC(C)(C)C ZINC001592912896 979882162 /nfs/dbraw/zinc/88/21/62/979882162.db2.gz OQXQMFFKOKSNEX-VIFPVBQESA-N -1 2 387.483 3.245 20 0 GGADLM CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3OC)sc2C1 ZINC001595470569 981169190 /nfs/dbraw/zinc/16/91/90/981169190.db2.gz KAGXUEDMTYFHTG-SNVBAGLBSA-N -1 2 396.490 3.166 20 0 GGADLM CC[C@@H]1CCc2nc(NS(=O)(=O)Cc3cccc(C(=O)[O-])c3)sc2C1 ZINC001595473692 981184237 /nfs/dbraw/zinc/18/42/37/981184237.db2.gz ZQSLNBVEUFPATR-LLVKDONJSA-N -1 2 380.491 3.298 20 0 GGADLM CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cnc(C)c(C(=O)[O-])c3)sc2C1 ZINC001595623385 981720320 /nfs/dbraw/zinc/72/03/20/981720320.db2.gz MFUJXFZFKOJTKL-LLVKDONJSA-N -1 2 395.506 3.251 20 0 GGADLM CC[C@](C)(NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(F)(F)F ZINC001594853430 982112028 /nfs/dbraw/zinc/11/20/28/982112028.db2.gz VYHVPUOXZYCZSY-NSHDSACASA-N -1 2 377.743 3.187 20 0 GGADLM CCCCn1ncc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C(C)C ZINC001595810750 982646530 /nfs/dbraw/zinc/64/65/30/982646530.db2.gz QHZMLMLITCUGTH-UHFFFAOYSA-N -1 2 383.445 3.445 20 0 GGADLM CCCn1ncc(NS(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1C1CC1 ZINC001596120328 983454000 /nfs/dbraw/zinc/45/40/00/983454000.db2.gz JLIJJPZKTMFYFQ-UHFFFAOYSA-N -1 2 383.857 3.323 20 0 GGADLM CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cc(C(=O)[O-])n(C)c2)C1 ZINC001596395215 983932550 /nfs/dbraw/zinc/93/25/50/983932550.db2.gz WQJQWEOUGDLQSC-RIYZIHGNSA-N -1 2 391.427 3.346 20 0 GGADLM CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cc(C(=O)[O-])n(C)c2)C1 ZINC001596395215 983932556 /nfs/dbraw/zinc/93/25/56/983932556.db2.gz WQJQWEOUGDLQSC-RIYZIHGNSA-N -1 2 391.427 3.346 20 0 GGADLM CC[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cc(C(=O)[O-])n(C)c2)C1 ZINC001596395217 983932758 /nfs/dbraw/zinc/93/27/58/983932758.db2.gz WQJQWEOUGDLQSC-ZSOIEALJSA-N -1 2 391.427 3.346 20 0 GGADLM CC[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cc(C(=O)[O-])n(C)c2)C1 ZINC001596395217 983932763 /nfs/dbraw/zinc/93/27/63/983932763.db2.gz WQJQWEOUGDLQSC-ZSOIEALJSA-N -1 2 391.427 3.346 20 0 GGADLM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(Br)c(F)cc1O ZINC001599887064 984648636 /nfs/dbraw/zinc/64/86/36/984648636.db2.gz LMCFRXGNOBQIAQ-SNVBAGLBSA-N -1 2 396.212 3.409 20 0 GGADLM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(Br)cc(F)c1O ZINC001599887271 984651177 /nfs/dbraw/zinc/65/11/77/984651177.db2.gz SHBQYAXVNRKFFQ-SNVBAGLBSA-N -1 2 396.212 3.409 20 0 GGADLM CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001596700031 984868883 /nfs/dbraw/zinc/86/88/83/984868883.db2.gz GYMSYCAHNJWMGZ-UHFFFAOYSA-N -1 2 397.474 3.349 20 0 GGADLM Cc1[nH]c(C(=O)[C@@H](C)S(=O)(=O)Cc2ccccc2Cl)c(C)c1C(=O)[O-] ZINC001599948108 985563588 /nfs/dbraw/zinc/56/35/88/985563588.db2.gz KWZOANNYVSODJI-LLVKDONJSA-N -1 2 383.853 3.169 20 0 GGADLM CC(=O)c1ccc2nc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)sc2c1 ZINC001589304758 986067161 /nfs/dbraw/zinc/06/71/61/986067161.db2.gz DHWCWQHFIKXUJF-UHFFFAOYSA-N -1 2 390.442 3.306 20 0 GGADLM CC(=O)c1ccc2nc(NS(=O)(=O)c3cccc(C(=O)[O-])c3C)sc2c1 ZINC001589305678 986071251 /nfs/dbraw/zinc/07/12/51/986071251.db2.gz NGBFTXSNANGTAJ-UHFFFAOYSA-N -1 2 390.442 3.306 20 0 GGADLM CCSCc1ccnc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1 ZINC001597267984 987306930 /nfs/dbraw/zinc/30/69/30/987306930.db2.gz RFPXGNVXDJPGFW-UHFFFAOYSA-N -1 2 384.454 3.281 20 0 GGADLM CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)cc1 ZINC001589644463 987578832 /nfs/dbraw/zinc/57/88/32/987578832.db2.gz XJXPLZQIKDLWPU-UHFFFAOYSA-N -1 2 377.466 3.230 20 0 GGADLM CC(C)(C(=O)[O-])c1csc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC001589657087 987627784 /nfs/dbraw/zinc/62/77/84/987627784.db2.gz NLOBKDNUBAVRER-UHFFFAOYSA-N -1 2 378.834 3.099 20 0 GGADLM CCc1c(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cnn1CCC(C)C ZINC001597419585 987724106 /nfs/dbraw/zinc/72/41/06/987724106.db2.gz FDGUKLKJYBYGAE-UHFFFAOYSA-N -1 2 383.445 3.130 20 0 GGADLM CCc1c(NS(=O)(=O)c2c(C)csc2C(=O)[O-])cnn1CCC(C)C ZINC001597419875 987727627 /nfs/dbraw/zinc/72/76/27/987727627.db2.gz PIYLBCBJEKVNHA-UHFFFAOYSA-N -1 2 385.511 3.361 20 0 GGADLM CC(C)(C)[C@H]1CCc2nc(NS(=O)(=O)c3cncc(C(=O)[O-])c3)sc2C1 ZINC001589735933 987989391 /nfs/dbraw/zinc/98/93/91/987989391.db2.gz ZBZSIHXZLYMTLR-NSHDSACASA-N -1 2 395.506 3.188 20 0 GGADLM CC(C)(C)C[C@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001589757337 988073047 /nfs/dbraw/zinc/07/30/47/988073047.db2.gz UENSHRVZNARYFE-JTQLQIEISA-N -1 2 389.342 3.308 20 0 GGADLM CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)cc1CC ZINC001597555662 988282041 /nfs/dbraw/zinc/28/20/41/988282041.db2.gz ACZVQLBZUGMVCD-UHFFFAOYSA-N -1 2 397.474 3.159 20 0 GGADLM CCc1ccc(NS(=O)(=O)c2cnc(Cl)cc2Cl)c(C(=O)[O-])c1 ZINC001597557019 988293945 /nfs/dbraw/zinc/29/39/45/988293945.db2.gz SEGIXDGZPICIJK-UHFFFAOYSA-N -1 2 375.233 3.450 20 0 GGADLM CCc1ccc2nc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2c1 ZINC001597570518 988344416 /nfs/dbraw/zinc/34/44/16/988344416.db2.gz MRORSANKKRWNPT-UHFFFAOYSA-N -1 2 380.422 3.497 20 0 GGADLM CC(C)(C)OC(=O)Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001589901556 988611211 /nfs/dbraw/zinc/61/12/11/988611211.db2.gz RXWKMJXHPJSFEV-UHFFFAOYSA-N -1 2 397.474 3.131 20 0 GGADLM CCc1nc(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)sc1C(=O)[O-] ZINC001597685548 988838411 /nfs/dbraw/zinc/83/84/11/988838411.db2.gz QKHDZEHVAOLGEX-UHFFFAOYSA-N -1 2 378.834 3.138 20 0 GGADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC001597717391 988985164 /nfs/dbraw/zinc/98/51/64/988985164.db2.gz APSNXNSVEWUFCF-UHFFFAOYSA-N -1 2 379.482 3.167 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)nn1-c1cccc(C)c1 ZINC001597785679 989305690 /nfs/dbraw/zinc/30/56/90/989305690.db2.gz MXNKIEYXYWSMFI-UHFFFAOYSA-N -1 2 389.433 3.144 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)nn1-c1ccccc1C ZINC001597785974 989308187 /nfs/dbraw/zinc/30/81/87/989308187.db2.gz WOXZREKTMZQTPV-UHFFFAOYSA-N -1 2 389.433 3.144 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-n1nc(C)cc1C ZINC001597790444 989310976 /nfs/dbraw/zinc/31/09/76/989310976.db2.gz BUZNBRIYKYKLEN-UHFFFAOYSA-N -1 2 389.433 3.144 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC(=O)N(C)C ZINC001597791668 989323235 /nfs/dbraw/zinc/32/32/35/989323235.db2.gz PZBHIGNPJCRJQN-UHFFFAOYSA-N -1 2 398.462 3.115 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC001597791719 989325044 /nfs/dbraw/zinc/32/50/44/989325044.db2.gz QYELVMGMKGSAAR-UHFFFAOYSA-N -1 2 385.348 3.155 20 0 GGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1nnc(CC2CCCCC2)s1 ZINC001597791709 989325113 /nfs/dbraw/zinc/32/51/13/989325113.db2.gz QURGQOZFFUUXCW-UHFFFAOYSA-N -1 2 399.494 3.315 20 0 GGADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)[nH]n1 ZINC001590362690 989815602 /nfs/dbraw/zinc/81/56/02/989815602.db2.gz DTBYCEGZSIXQGV-UHFFFAOYSA-N -1 2 381.388 3.469 20 0 GGADLM CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)n[nH]1 ZINC001590362690 989815608 /nfs/dbraw/zinc/81/56/08/989815608.db2.gz DTBYCEGZSIXQGV-UHFFFAOYSA-N -1 2 381.388 3.469 20 0 GGADLM CC(C)(C)c1cc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)n(C(C)(C)C)n1 ZINC001590462463 990035059 /nfs/dbraw/zinc/03/50/59/990035059.db2.gz WCKNENONZPNEPG-UHFFFAOYSA-N -1 2 393.509 3.364 20 0 GGADLM CC(C)(C)c1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1O ZINC001590498542 990108393 /nfs/dbraw/zinc/10/83/93/990108393.db2.gz AWQGHRNLYQHGMG-UHFFFAOYSA-N -1 2 384.841 3.237 20 0 GGADLM CC(C)(C)c1csc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)n1 ZINC001590537642 990156799 /nfs/dbraw/zinc/15/67/99/990156799.db2.gz YSQFNBVYMFYFJZ-UHFFFAOYSA-N -1 2 376.406 3.218 20 0 GGADLM CC(C)(C)c1nc(NS(=O)(=O)c2cccc3cccnc32)sc1C(=O)[O-] ZINC001590545614 990183742 /nfs/dbraw/zinc/18/37/42/990183742.db2.gz LCTQFZHWHIHPKL-UHFFFAOYSA-N -1 2 391.474 3.488 20 0 GGADLM CC(C)(C)c1nc(NS(=O)(=O)c2c(F)cccc2F)sc1C(=O)[O-] ZINC001590545919 990186347 /nfs/dbraw/zinc/18/63/47/990186347.db2.gz VQONFDWSVYKJMJ-UHFFFAOYSA-N -1 2 376.406 3.218 20 0 GGADLM CC(C)(c1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1)C(F)(F)F ZINC001590909097 990878956 /nfs/dbraw/zinc/87/89/56/990878956.db2.gz RIGIARVZKYGPMP-UHFFFAOYSA-N -1 2 394.396 3.482 20 0 GGADLM CC(C)COc1ccc(NS(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cn1 ZINC001591401438 992472901 /nfs/dbraw/zinc/47/29/01/992472901.db2.gz OMYMMVCHGLBKTD-UHFFFAOYSA-N -1 2 384.841 3.269 20 0 GGADLM COc1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c(O)c1 ZINC001599597858 993771734 /nfs/dbraw/zinc/77/17/34/993771734.db2.gz DPWDZBJZXWCLSB-UHFFFAOYSA-N -1 2 379.415 3.115 20 0 GGADLM C[C@](NC(=O)c1cc(Br)c(F)cc1O)(C(=O)[O-])c1ccccc1 ZINC001593147104 993950770 /nfs/dbraw/zinc/95/07/70/993950770.db2.gz ZKMYTMFVRPSIIV-MRXNPFEDSA-N -1 2 382.185 3.024 20 0 GGADLM COc1ccc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)cc1C(=O)[O-] ZINC001599618090 994045313 /nfs/dbraw/zinc/04/53/13/994045313.db2.gz ZIMIEMGLKAEQQX-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM C[C@@](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)(C1CC1)C(F)(F)F ZINC001593326669 994879942 /nfs/dbraw/zinc/87/99/42/994879942.db2.gz NSSZIMLPXIJIGT-GFCCVEGCSA-N -1 2 389.754 3.187 20 0 GGADLM COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC001598835020 996475944 /nfs/dbraw/zinc/47/59/44/996475944.db2.gz UBGRISCOSGVLNE-RMKNXTFCSA-N -1 2 395.458 3.050 20 0 GGADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc2c(cccc2Cl)s1 ZINC001599383350 996897939 /nfs/dbraw/zinc/89/79/39/996897939.db2.gz BIZWLFWFQMDMPO-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cnccc1-c1ccccc1 ZINC001599383487 996900822 /nfs/dbraw/zinc/90/08/22/996900822.db2.gz GRGNXOYDVVBPEN-UHFFFAOYSA-N -1 2 384.413 3.256 20 0 GGADLM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccccc1OC(C)(C)C ZINC001599384019 996911567 /nfs/dbraw/zinc/91/15/67/996911567.db2.gz QWICJIAYARITAL-UHFFFAOYSA-N -1 2 379.434 3.372 20 0 GGADLM COCc1nc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)sc1C(=O)[O-] ZINC001599303653 997275877 /nfs/dbraw/zinc/27/58/77/997275877.db2.gz MENRXJWKILJWSR-UHFFFAOYSA-N -1 2 390.508 3.148 20 0 GGADLM COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001598915763 997462398 /nfs/dbraw/zinc/46/23/98/997462398.db2.gz JUPHQGOOOCCENR-TWGQIWQCSA-N -1 2 395.458 3.050 20 0 GGADLM COc1cc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)cc(C(=O)[O-])c1O ZINC001599420618 997588236 /nfs/dbraw/zinc/58/82/36/997588236.db2.gz GJUCQBVNBHGGJN-UHFFFAOYSA-N -1 2 392.216 3.207 20 0 GGADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC001599329921 997730074 /nfs/dbraw/zinc/73/00/74/997730074.db2.gz JSVZEAXOBGBFCX-UHFFFAOYSA-N -1 2 396.852 3.121 20 0 GGADLM COc1cc(S(=O)(=O)Nc2nc3c(cc(C)cc3C)s2)ccc1C(=O)[O-] ZINC001599459052 998240135 /nfs/dbraw/zinc/24/01/35/998240135.db2.gz FNIQDHAAEDFFKK-UHFFFAOYSA-N -1 2 392.458 3.421 20 0 GGADLM COc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001599377769 998516540 /nfs/dbraw/zinc/51/65/40/998516540.db2.gz NODVGNIQZWCDFV-UHFFFAOYSA-N -1 2 393.314 3.352 20 0 GGADLM COC(=O)c1ccc2ccccc2c1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001598991156 998738673 /nfs/dbraw/zinc/73/86/73/998738673.db2.gz FMBUSNCWQYGQDN-UHFFFAOYSA-N -1 2 399.424 3.434 20 0 GGADLM COC(=O)c1sc(S(=O)(=O)Nc2ccsc2C(=O)[O-])c(C)c1Cl ZINC001599022155 998989307 /nfs/dbraw/zinc/98/93/07/998989307.db2.gz AULYTVIJERDRTI-UHFFFAOYSA-N -1 2 395.867 3.057 20 0 GGADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC(F)F)c1 ZINC000012521248 221201122 /nfs/dbraw/zinc/20/11/22/221201122.db2.gz RSJWSYFMQWAIJU-UHFFFAOYSA-N -1 2 377.752 3.440 20 0 GGADLM CC(C)n1cc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000066585390 222140729 /nfs/dbraw/zinc/14/07/29/222140729.db2.gz OUCPUMOFLLDPHQ-UHFFFAOYSA-N -1 2 378.237 3.270 20 0 GGADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000078900003 222298438 /nfs/dbraw/zinc/29/84/38/222298438.db2.gz XMQONQFKIDASCK-UHFFFAOYSA-N -1 2 377.315 3.272 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c1 ZINC000115869652 564200409 /nfs/dbraw/zinc/20/04/09/564200409.db2.gz HTMZILSJDMAJCJ-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccc(Cl)s1)OCCCO2 ZINC000010657361 564258913 /nfs/dbraw/zinc/25/89/13/564258913.db2.gz UGZJBQWCXAPURS-UHFFFAOYSA-N -1 2 389.838 3.062 20 0 GGADLM CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000024432682 564330397 /nfs/dbraw/zinc/33/03/97/564330397.db2.gz ZETQNFBAWRQEDB-UHFFFAOYSA-N -1 2 382.463 3.232 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2)c(Br)s1 ZINC000032585594 564402715 /nfs/dbraw/zinc/40/27/15/564402715.db2.gz AQHADJITFSMWKY-UHFFFAOYSA-N -1 2 380.216 3.149 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2)sc1C(=O)[O-] ZINC000037225783 564420509 /nfs/dbraw/zinc/42/05/09/564420509.db2.gz CODAABUQROMXCU-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)c(C(=O)[O-])c1 ZINC000037374364 564420755 /nfs/dbraw/zinc/42/07/55/564420755.db2.gz JTYNNYJLMRZMIZ-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])sc1Br ZINC000123550771 564452857 /nfs/dbraw/zinc/45/28/57/564452857.db2.gz LKMQMHNCPUCRTJ-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1cc(NS(=O)(=O)c2sccc2Br)ccc1C(=O)[O-] ZINC000044750119 564472683 /nfs/dbraw/zinc/47/26/83/564472683.db2.gz PREZCIYEQCMJRJ-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1sccc1Br ZINC000048440906 564539514 /nfs/dbraw/zinc/53/95/14/564539514.db2.gz YHSFFBMEOBTKDJ-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1sccc1Br ZINC000048441030 564540516 /nfs/dbraw/zinc/54/05/16/564540516.db2.gz AMJOAAVYWONXNH-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1F ZINC000133655024 564781134 /nfs/dbraw/zinc/78/11/34/564781134.db2.gz KDPMHPAWVQABGD-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cc(C)c(C(=O)[O-])s3)c2C)o1 ZINC000135405244 564829952 /nfs/dbraw/zinc/82/99/52/564829952.db2.gz HAJMWVLXNMZXME-UHFFFAOYSA-N -1 2 381.435 3.155 20 0 GGADLM CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000069646943 564842443 /nfs/dbraw/zinc/84/24/43/564842443.db2.gz IVXZUZFWMAOSFU-UHFFFAOYSA-N -1 2 388.854 3.167 20 0 GGADLM COc1ccc(Br)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156651 564849304 /nfs/dbraw/zinc/84/93/04/564849304.db2.gz YWOXZBLNHIZAHB-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM Cc1cccc(NS(=O)(=O)c2sccc2Br)c1C(=O)[O-] ZINC000071171311 564856498 /nfs/dbraw/zinc/85/64/98/564856498.db2.gz JLKVJDLGGXDDLU-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)c1 ZINC000071946534 564859146 /nfs/dbraw/zinc/85/91/46/564859146.db2.gz KBGFKQIXABQPDX-UHFFFAOYSA-N -1 2 383.838 3.086 20 0 GGADLM O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1 ZINC000078938886 564865722 /nfs/dbraw/zinc/86/57/22/564865722.db2.gz WVDCUDUXONHRRH-UHFFFAOYSA-N -1 2 390.248 3.099 20 0 GGADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1Br ZINC000147469763 564882750 /nfs/dbraw/zinc/88/27/50/564882750.db2.gz CEYHTKRBVCNFOG-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)sc1Br ZINC000149456325 564885802 /nfs/dbraw/zinc/88/58/02/564885802.db2.gz YUMPFCLEGSJBMY-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2sccc2Br)c1 ZINC000108931840 565018977 /nfs/dbraw/zinc/01/89/77/565018977.db2.gz AMMKTZAYSHFSBW-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM Cc1c(NS(=O)(=O)c2ccc(Br)cc2F)cccc1C(=O)[O-] ZINC000154461247 565040156 /nfs/dbraw/zinc/04/01/56/565040156.db2.gz ISWIRJTXKFRLJH-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccncc1Br ZINC000370612197 565151934 /nfs/dbraw/zinc/15/19/34/565151934.db2.gz JTMUNYGNSSSNTQ-UHFFFAOYSA-N -1 2 380.152 3.160 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c(O)c1 ZINC000391204981 565560447 /nfs/dbraw/zinc/56/04/47/565560447.db2.gz ZKRODZRTUPXEIG-UHFFFAOYSA-N -1 2 380.180 3.337 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)c(F)c1 ZINC000404989875 565585643 /nfs/dbraw/zinc/58/56/43/565585643.db2.gz ZQPABNLPLAYQET-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c(F)c1 ZINC000317739107 565595353 /nfs/dbraw/zinc/59/53/53/565595353.db2.gz PULKCCMXGGYVQP-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c(Cl)c1 ZINC000326688919 565625015 /nfs/dbraw/zinc/62/50/15/565625015.db2.gz QNRVDHBJQRWSIR-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM O=C([O-])c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1c(F)cccc1F ZINC000327464767 565630929 /nfs/dbraw/zinc/63/09/29/565630929.db2.gz VVOVWVHAVUZCFN-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(F)cc2)c1F ZINC000193041062 565727762 /nfs/dbraw/zinc/72/77/62/565727762.db2.gz CMBUJAIYGAHRGX-UHFFFAOYSA-N -1 2 392.177 3.226 20 0 GGADLM O=C(CC[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1)Nc1c(Cl)cccc1Cl ZINC000411680812 565744893 /nfs/dbraw/zinc/74/48/93/565744893.db2.gz YBDAHZPQBYBJKB-JTQLQIEISA-N -1 2 385.251 3.290 20 0 GGADLM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(Cl)cc(Br)c1O ZINC000176472158 565775444 /nfs/dbraw/zinc/77/54/44/565775444.db2.gz MIJXYWHZXSDISL-VIFPVBQESA-N -1 2 384.679 3.119 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cnn1C1CCCC1 ZINC000194226343 565803119 /nfs/dbraw/zinc/80/31/19/565803119.db2.gz IFTTVERZNSMTCH-UHFFFAOYSA-N -1 2 383.857 3.459 20 0 GGADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccn(-c3ccccc3Cl)n2)c1 ZINC000178332833 565913428 /nfs/dbraw/zinc/91/34/28/565913428.db2.gz FJNBDTWZHIHLDY-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM Oc1c(Br)cc(C[NH2+]CCOCC2CC2)cc1Br ZINC000236560465 565938275 /nfs/dbraw/zinc/93/82/75/565938275.db2.gz RVYOFZAREZGGRA-UHFFFAOYSA-N -1 2 379.092 3.433 20 0 GGADLM Cc1nc(C)c(S(=O)(=O)Nc2ccc(Br)c(C(=O)[O-])c2)s1 ZINC000179012621 565952150 /nfs/dbraw/zinc/95/21/50/565952150.db2.gz ONIDYRAVPLXFGH-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000535136687 566279639 /nfs/dbraw/zinc/27/96/39/566279639.db2.gz FIHKZHWZMKDKFY-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000556346745 566287551 /nfs/dbraw/zinc/28/75/51/566287551.db2.gz NVLAILZAJDYGGW-UHFFFAOYSA-N -1 2 385.800 3.327 20 0 GGADLM COc1cc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1C(=O)[O-] ZINC000556351061 566288700 /nfs/dbraw/zinc/28/87/00/566288700.db2.gz HNGGOTGYHHRPSI-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM Cc1nc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000509397058 566298033 /nfs/dbraw/zinc/29/80/33/566298033.db2.gz QFXYVCFXAIJZBP-UHFFFAOYSA-N -1 2 378.303 3.047 20 0 GGADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(F)c1F ZINC000509554570 566316352 /nfs/dbraw/zinc/31/63/52/566316352.db2.gz HDTKOFNUABTJDJ-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)[nH]n2)o1 ZINC000446620195 566359435 /nfs/dbraw/zinc/35/94/35/566359435.db2.gz NJVNOIXDDWVSGV-UHFFFAOYSA-N -1 2 381.797 3.131 20 0 GGADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)n[nH]2)o1 ZINC000446620195 566359444 /nfs/dbraw/zinc/35/94/44/566359444.db2.gz NJVNOIXDDWVSGV-UHFFFAOYSA-N -1 2 381.797 3.131 20 0 GGADLM Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)[nH]n2)o1 ZINC000446621850 566359767 /nfs/dbraw/zinc/35/97/67/566359767.db2.gz CXHFRDVFTVGGNN-UHFFFAOYSA-N -1 2 381.797 3.131 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000536303662 566364574 /nfs/dbraw/zinc/36/45/74/566364574.db2.gz AVLAWYJLYIFAAP-UHFFFAOYSA-N -1 2 393.437 3.346 20 0 GGADLM COc1ccnc2c(NS(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cccc12 ZINC000536609747 566388939 /nfs/dbraw/zinc/38/89/39/566388939.db2.gz RVWRGJQWIQHGLQ-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000484952682 566464797 /nfs/dbraw/zinc/46/47/97/566464797.db2.gz ALKNYQHOHIFTGU-UHFFFAOYSA-N -1 2 387.816 3.306 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(OCC(F)(F)F)c1 ZINC000511744737 566487075 /nfs/dbraw/zinc/48/70/75/566487075.db2.gz XIPGRBMCHMNBPF-UHFFFAOYSA-N -1 2 395.380 3.497 20 0 GGADLM O=C(N=c1[n-]nc(CC(F)(F)F)s1)c1c(O)cnc2ccc(Cl)cc21 ZINC000558764616 566505669 /nfs/dbraw/zinc/50/56/69/566505669.db2.gz MZIPEKAHUUZEHF-UHFFFAOYSA-N -1 2 388.758 3.224 20 0 GGADLM CCC(CC)(CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)C(=O)[O-] ZINC000424385799 566530230 /nfs/dbraw/zinc/53/02/30/566530230.db2.gz USWFXPZMUPVBLO-UHFFFAOYSA-N -1 2 382.873 3.293 20 0 GGADLM CC(C)C[C@@H](CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)C(=O)[O-] ZINC000424389000 566532950 /nfs/dbraw/zinc/53/29/50/566532950.db2.gz ZYVDXMYXWRSYDU-JTQLQIEISA-N -1 2 382.873 3.149 20 0 GGADLM CN(C)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000673896896 566565640 /nfs/dbraw/zinc/56/56/40/566565640.db2.gz LLUQTEMWTXNYKO-UHFFFAOYSA-N -1 2 394.396 3.332 20 0 GGADLM COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000466477694 566579527 /nfs/dbraw/zinc/57/95/27/566579527.db2.gz PVIAZQADYCKYRP-UHFFFAOYSA-N -1 2 383.447 3.157 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(-c3cccc(Cl)c3)n[nH]2)cs1 ZINC000674754796 566607182 /nfs/dbraw/zinc/60/71/82/566607182.db2.gz FXYLGXQVDTWVNW-UHFFFAOYSA-N -1 2 383.838 3.291 20 0 GGADLM COc1cc(F)c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c(F)c1 ZINC000606342986 566627738 /nfs/dbraw/zinc/62/77/38/566627738.db2.gz ORIIISTUAIFTEP-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc(C)cc2Cl)c1OC ZINC000467325275 566641702 /nfs/dbraw/zinc/64/17/02/566641702.db2.gz ZEWCIXMJZIGYSI-UHFFFAOYSA-N -1 2 385.825 3.165 20 0 GGADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000488328804 566721339 /nfs/dbraw/zinc/72/13/39/566721339.db2.gz GFGGYTHHVVKTLE-SNVBAGLBSA-N -1 2 383.857 3.315 20 0 GGADLM Cc1nc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)s1 ZINC000677234812 566732136 /nfs/dbraw/zinc/73/21/36/566732136.db2.gz MNIMXAFXJXZUHK-UHFFFAOYSA-N -1 2 380.369 3.278 20 0 GGADLM C[C@H](CNS(=O)(=O)c1cc(F)ccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000488669118 566739382 /nfs/dbraw/zinc/73/93/82/566739382.db2.gz NWPLGOYVLHJYIY-LLVKDONJSA-N -1 2 388.917 3.266 20 0 GGADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000541793365 566747563 /nfs/dbraw/zinc/74/75/63/566747563.db2.gz VJSCKQNCDFVWAY-UHFFFAOYSA-N -1 2 379.772 3.117 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2OC(C)C)sc1C(=O)[O-] ZINC000451092188 566754162 /nfs/dbraw/zinc/75/41/62/566754162.db2.gz BQWAUJRBWPCOJC-UHFFFAOYSA-N -1 2 390.870 3.391 20 0 GGADLM O=S1(=O)CCC2(CC[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC2)CC1 ZINC000581227811 566758512 /nfs/dbraw/zinc/75/85/12/566758512.db2.gz DGDNDHAKJHCYMG-UHFFFAOYSA-N -1 2 377.428 3.202 20 0 GGADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Br)c1F ZINC000541910037 566759337 /nfs/dbraw/zinc/75/93/37/566759337.db2.gz UYGHOMFPHGGZOM-UHFFFAOYSA-N -1 2 388.214 3.396 20 0 GGADLM Cc1c(NS(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000516805943 566783995 /nfs/dbraw/zinc/78/39/95/566783995.db2.gz GANFXXFZWZWLSG-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Br)ccc1O ZINC000562532030 566799927 /nfs/dbraw/zinc/79/99/27/566799927.db2.gz NCKHZFQTCBFHCA-UHFFFAOYSA-N -1 2 392.252 3.024 20 0 GGADLM CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489699605 566803952 /nfs/dbraw/zinc/80/39/52/566803952.db2.gz BJYUJYUKNVGTON-UHFFFAOYSA-N -1 2 385.825 3.246 20 0 GGADLM C[C@@H](CNS(=O)(=O)c1ccc(C(F)F)o1)[N@@H+]1CCc2sccc2C1 ZINC000631727994 566820433 /nfs/dbraw/zinc/82/04/33/566820433.db2.gz UUTJPTWASMMTEC-JTQLQIEISA-N -1 2 376.450 3.004 20 0 GGADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000542734113 566821488 /nfs/dbraw/zinc/82/14/88/566821488.db2.gz LAWMYDULXFRITE-UHFFFAOYSA-N -1 2 379.772 3.117 20 0 GGADLM Cc1cc(C)c(S(=O)(=O)Nc2scnc2C2CC2)c(C)c1CC(=O)[O-] ZINC000542941939 566841610 /nfs/dbraw/zinc/84/16/10/566841610.db2.gz ITDMBBUWUZJPGS-UHFFFAOYSA-N -1 2 380.491 3.374 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1csc(-c2ccccn2)n1 ZINC000543661704 566899217 /nfs/dbraw/zinc/89/92/17/566899217.db2.gz FSCRJUUZDSNLGE-UHFFFAOYSA-N -1 2 375.431 3.013 20 0 GGADLM CC(C)c1ccnc(N2CC[NH+](Cc3cccc(O)c3Br)CC2)n1 ZINC000656546905 566915919 /nfs/dbraw/zinc/91/59/19/566915919.db2.gz MVDUBZGFGLHRRK-UHFFFAOYSA-N -1 2 391.313 3.390 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)cc(C(=O)[O-])c1C ZINC000471116618 566928924 /nfs/dbraw/zinc/92/89/24/566928924.db2.gz OGOHJFKEZLGGNI-UHFFFAOYSA-N -1 2 377.447 3.254 20 0 GGADLM COc1ccsc1S(=O)(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000471133171 566931913 /nfs/dbraw/zinc/93/19/13/566931913.db2.gz JKPQGXLASFOBMC-UHFFFAOYSA-N -1 2 381.353 3.275 20 0 GGADLM CCn1nccc1S(=O)(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000471926651 566987537 /nfs/dbraw/zinc/98/75/37/566987537.db2.gz GJKRJKVNPCMUFB-UHFFFAOYSA-N -1 2 377.447 3.131 20 0 GGADLM C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Br)o2)C1 ZINC000546093461 567105847 /nfs/dbraw/zinc/10/58/47/567105847.db2.gz CVTMKCHXWJFZKO-GXTWGEPZSA-N -1 2 399.310 3.156 20 0 GGADLM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000546151407 567109497 /nfs/dbraw/zinc/10/94/97/567109497.db2.gz NIASZACUDVNNHU-UHFFFAOYSA-N -1 2 381.219 3.245 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)nc2)sc1C(=O)[O-] ZINC000588832925 567139766 /nfs/dbraw/zinc/13/97/66/567139766.db2.gz QLDWMTRRXHFIEF-UHFFFAOYSA-N -1 2 382.463 3.272 20 0 GGADLM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000683649896 567142886 /nfs/dbraw/zinc/14/28/86/567142886.db2.gz HDKQDGLCCAUCOC-UHFFFAOYSA-N -1 2 381.479 3.212 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccnc2Oc2ccccc2)cs1 ZINC000614843432 567143525 /nfs/dbraw/zinc/14/35/25/567143525.db2.gz PASRKQHNABCRTH-UHFFFAOYSA-N -1 2 376.415 3.434 20 0 GGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)c1 ZINC000589148859 567161520 /nfs/dbraw/zinc/16/15/20/567161520.db2.gz BLGNDLBIHWGTIV-UHFFFAOYSA-N -1 2 396.471 3.283 20 0 GGADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000547550889 567219183 /nfs/dbraw/zinc/21/91/83/567219183.db2.gz DMOPZFHWYXXRNQ-UHFFFAOYSA-N -1 2 388.760 3.195 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2Br)c(C)c[nH+]1 ZINC000685005285 567253379 /nfs/dbraw/zinc/25/33/79/567253379.db2.gz BOKCSIIVQIUPDE-UHFFFAOYSA-N -1 2 375.675 3.337 20 0 GGADLM COc1cc(NS(=O)(=O)c2sccc2C)c(C(=O)[O-])cc1OC(F)F ZINC000525528296 567253399 /nfs/dbraw/zinc/25/33/99/567253399.db2.gz IERJZTVSYFLHQM-UHFFFAOYSA-N -1 2 393.389 3.166 20 0 GGADLM Cc1cc(F)cc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000547874581 567253985 /nfs/dbraw/zinc/25/39/85/567253985.db2.gz HLLJWTQMIJVYMY-UHFFFAOYSA-N -1 2 378.303 3.047 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1ccc(Cl)cc1 ZINC000567540244 567255434 /nfs/dbraw/zinc/25/54/34/567255434.db2.gz HXAZMFYMCXCCKJ-UHFFFAOYSA-N -1 2 397.865 3.395 20 0 GGADLM Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433508362 567255560 /nfs/dbraw/zinc/25/55/60/567255560.db2.gz WCLXAMHVRCCARL-UHFFFAOYSA-N -1 2 375.324 3.218 20 0 GGADLM CCc1ccc(O)c(NS(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000433530439 567257039 /nfs/dbraw/zinc/25/70/39/567257039.db2.gz OAPXQXDASSHTQU-UHFFFAOYSA-N -1 2 385.825 3.116 20 0 GGADLM Cc1cc(C(=O)[O-])c(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1F ZINC000547934072 567266598 /nfs/dbraw/zinc/26/65/98/567266598.db2.gz BLZBXGRODSOOII-UHFFFAOYSA-N -1 2 378.303 3.047 20 0 GGADLM Cc1c(F)ccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000548262536 567301168 /nfs/dbraw/zinc/30/11/68/567301168.db2.gz NNVZOZSZGSPEFQ-UHFFFAOYSA-N -1 2 378.303 3.047 20 0 GGADLM COc1cc(S(=O)(=O)Nc2cccc3cc[nH]c32)c(Cl)cc1C(=O)[O-] ZINC000548477467 567318493 /nfs/dbraw/zinc/31/84/93/567318493.db2.gz GOWXHNXOFZOFGS-UHFFFAOYSA-N -1 2 380.809 3.329 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(O)c1 ZINC000435493104 567372278 /nfs/dbraw/zinc/37/22/78/567372278.db2.gz YYDQAXYEFOFFDU-UHFFFAOYSA-N -1 2 380.180 3.337 20 0 GGADLM COc1cccc(C)c1NS(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000435722896 567386128 /nfs/dbraw/zinc/38/61/28/567386128.db2.gz LTDLIJZFQPPSPG-UHFFFAOYSA-N -1 2 385.825 3.165 20 0 GGADLM Cc1ccc(-c2cc(NS(=O)(=O)c3cccc(C(=O)[O-])c3C)n[nH]2)s1 ZINC000477427130 567393552 /nfs/dbraw/zinc/39/35/52/567393552.db2.gz YUBPCDYMQZWJMD-UHFFFAOYSA-N -1 2 377.447 3.254 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)ccc1C(=O)[O-] ZINC000436474134 567426646 /nfs/dbraw/zinc/42/66/46/567426646.db2.gz BHMAOPFSRJSSLQ-UHFFFAOYSA-N -1 2 375.324 3.218 20 0 GGADLM Cc1c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cccc1C(=O)[O-] ZINC000436480069 567426849 /nfs/dbraw/zinc/42/68/49/567426849.db2.gz YQMHKSGFWXKHMX-UHFFFAOYSA-N -1 2 375.324 3.218 20 0 GGADLM C[NH+](C)Cc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1Cl ZINC000478054004 567433827 /nfs/dbraw/zinc/43/38/27/567433827.db2.gz OFYOQYPXUMWONW-UHFFFAOYSA-N -1 2 381.885 3.025 20 0 GGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c1 ZINC000436892484 567464582 /nfs/dbraw/zinc/46/45/82/567464582.db2.gz JUSDHIXNQWOIAA-UHFFFAOYSA-N -1 2 376.415 3.015 20 0 GGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000436891274 567464810 /nfs/dbraw/zinc/46/48/10/567464810.db2.gz FQQMYPOEROBYQM-UHFFFAOYSA-N -1 2 393.751 3.146 20 0 GGADLM CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cn1 ZINC000478675588 567475361 /nfs/dbraw/zinc/47/53/61/567475361.db2.gz AYSBHQWWZOXUJY-VIFPVBQESA-N -1 2 383.857 3.451 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1F ZINC000479192607 567514133 /nfs/dbraw/zinc/51/41/33/567514133.db2.gz VOHIUXYDHOOCEE-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000479209639 567515311 /nfs/dbraw/zinc/51/53/11/567515311.db2.gz YDOAITPEPAMROM-UHFFFAOYSA-N -1 2 381.278 3.483 20 0 GGADLM C[C@H](Sc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1)C(=O)[O-] ZINC000504658226 567542725 /nfs/dbraw/zinc/54/27/25/567542725.db2.gz QFUWBIWVYOWHKV-QMMMGPOBSA-N -1 2 391.392 3.470 20 0 GGADLM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2n(n1)CCCC2 ZINC000551945065 567544968 /nfs/dbraw/zinc/54/49/68/567544968.db2.gz BPIPDGRVDUNQAR-UHFFFAOYSA-N -1 2 383.495 3.077 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)cc1Cl ZINC000438798821 567546504 /nfs/dbraw/zinc/54/65/04/567546504.db2.gz FHSMVDXGAQYICP-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000505131218 567561789 /nfs/dbraw/zinc/56/17/89/567561789.db2.gz YCTVGVNLNOFGBD-UHFFFAOYSA-N -1 2 395.742 3.265 20 0 GGADLM CCn1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2OC)cc1C(=O)[O-] ZINC000480201715 567587382 /nfs/dbraw/zinc/58/73/82/567587382.db2.gz QSOUQYDXIGBAQU-UHFFFAOYSA-N -1 2 393.248 3.322 20 0 GGADLM COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000480198621 567587450 /nfs/dbraw/zinc/58/74/50/567587450.db2.gz IOSXQODLZZXNSU-UHFFFAOYSA-N -1 2 380.205 3.402 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(F)ccc2OCC2CC2)sc1C(=O)[O-] ZINC000480234781 567590574 /nfs/dbraw/zinc/59/05/74/567590574.db2.gz XGZYJRAXGCSZQE-UHFFFAOYSA-N -1 2 385.438 3.483 20 0 GGADLM C[C@@H](NC(=O)c1cnc2c(Cl)cc(Br)cc2c1O)c1[nH]cc[nH+]1 ZINC000552557912 567596835 /nfs/dbraw/zinc/59/68/35/567596835.db2.gz RIXXLPWAYQWTPX-SSDOTTSWSA-N -1 2 395.644 3.158 20 0 GGADLM CCCC[C@H](CC)CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439762448 567601698 /nfs/dbraw/zinc/60/16/98/567601698.db2.gz BJVFHIWZCXYMDW-AWEZNQCLSA-N -1 2 387.512 3.044 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1OC(F)F ZINC000530654750 567616471 /nfs/dbraw/zinc/61/64/71/567616471.db2.gz AFEKOJHZNOEKFO-UHFFFAOYSA-N -1 2 377.390 3.465 20 0 GGADLM COC(=O)COc1ccc(C[N@H+](C)Cc2cccc(O)c2Br)cc1 ZINC000459538017 567633947 /nfs/dbraw/zinc/63/39/47/567633947.db2.gz RWHQRMMZULLKNO-UHFFFAOYSA-N -1 2 394.265 3.339 20 0 GGADLM COc1cc(F)c(F)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000572927254 567675645 /nfs/dbraw/zinc/67/56/45/567675645.db2.gz DRAOZXQCTIHFMO-UHFFFAOYSA-N -1 2 377.752 3.126 20 0 GGADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(CCC(C)C)n1 ZINC000481584584 567689296 /nfs/dbraw/zinc/68/92/96/567689296.db2.gz FKPGQZJIYRSOMD-UHFFFAOYSA-N -1 2 385.873 3.390 20 0 GGADLM COc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)ccc1C(=O)[O-] ZINC000461340409 567729497 /nfs/dbraw/zinc/72/94/97/567729497.db2.gz HGPXRDXHDCWOPW-UHFFFAOYSA-N -1 2 381.353 3.275 20 0 GGADLM O=C([O-])C[C@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000647220539 567771462 /nfs/dbraw/zinc/77/14/62/567771462.db2.gz UOSUCFCBLFHPFH-MRVPVSSYSA-N -1 2 376.634 3.135 20 0 GGADLM O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000647220540 567771574 /nfs/dbraw/zinc/77/15/74/567771574.db2.gz UOSUCFCBLFHPFH-QMMMGPOBSA-N -1 2 376.634 3.135 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)sc1C(=O)[O-] ZINC000462101251 567772251 /nfs/dbraw/zinc/77/22/51/567772251.db2.gz KFGLZUMFWSRLKS-UHFFFAOYSA-N -1 2 381.353 3.280 20 0 GGADLM Cc1cc(Br)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000533621334 567777852 /nfs/dbraw/zinc/77/78/52/567777852.db2.gz BPUCKLZFPZZWHU-UHFFFAOYSA-N -1 2 394.243 3.457 20 0 GGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000574668792 567791612 /nfs/dbraw/zinc/79/16/12/567791612.db2.gz FTCKWFMAEFHMNP-UHFFFAOYSA-N -1 2 395.767 3.384 20 0 GGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cn(CC(C)C)nc1C(F)F ZINC000534166410 567801871 /nfs/dbraw/zinc/80/18/71/567801871.db2.gz FWOZWZFGMSPNCF-UHFFFAOYSA-N -1 2 393.437 3.346 20 0 GGADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccccc21 ZINC000737716608 599814430 /nfs/dbraw/zinc/81/44/30/599814430.db2.gz CJKYODANYDEXHS-UHFFFAOYSA-N -1 2 391.426 3.187 20 0 GGADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(C)C)c1 ZINC000737719329 599814946 /nfs/dbraw/zinc/81/49/46/599814946.db2.gz XUYUCXIVCFFYNC-UHFFFAOYSA-N -1 2 383.447 3.157 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(Br)cc2)sc1C(=O)[O-] ZINC000020565716 599874836 /nfs/dbraw/zinc/87/48/36/599874836.db2.gz SLFRDSLZUYIRDQ-UHFFFAOYSA-N -1 2 376.253 3.318 20 0 GGADLM Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000739051268 599886447 /nfs/dbraw/zinc/88/64/47/599886447.db2.gz RKEOHYZDWGSJCP-UHFFFAOYSA-N -1 2 385.873 3.161 20 0 GGADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477420511 599906448 /nfs/dbraw/zinc/90/64/48/599906448.db2.gz BUUMZPOPTIYCEU-UHFFFAOYSA-N -1 2 385.445 3.297 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccccc2SC(=O)N(C)C)c1C(=O)[O-] ZINC000738969529 599924325 /nfs/dbraw/zinc/92/43/25/599924325.db2.gz LIPHDCFZEWHARB-UHFFFAOYSA-N -1 2 398.462 3.169 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc(SC(=O)N(C)C)c2)c1C(=O)[O-] ZINC000738969704 599924517 /nfs/dbraw/zinc/92/45/17/599924517.db2.gz PCDOSCODWFYAFO-UHFFFAOYSA-N -1 2 398.462 3.169 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(C)c(OCC(F)F)c2)c1C(=O)[O-] ZINC000738632534 599927196 /nfs/dbraw/zinc/92/71/96/599927196.db2.gz GLRPMAIIWMTHCJ-UHFFFAOYSA-N -1 2 389.376 3.348 20 0 GGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1OCC(F)F ZINC000738632760 599927349 /nfs/dbraw/zinc/92/73/49/599927349.db2.gz LHEPAJRYCIMUJB-UHFFFAOYSA-N -1 2 389.351 3.277 20 0 GGADLM CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000736158112 599938450 /nfs/dbraw/zinc/93/84/50/599938450.db2.gz MOAXQQYEPKQUBZ-UHFFFAOYSA-N -1 2 386.813 3.007 20 0 GGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000738276903 599966334 /nfs/dbraw/zinc/96/63/34/599966334.db2.gz KKBAKGIAGDMKLD-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000511710923 600006508 /nfs/dbraw/zinc/00/65/08/600006508.db2.gz ARKDTRRAKBFRDN-UHFFFAOYSA-N -1 2 391.323 3.093 20 0 GGADLM COc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3C)sc2c1 ZINC000393007843 600049198 /nfs/dbraw/zinc/04/91/98/600049198.db2.gz SAUSEZYRVDRDFM-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM O=C([O-])c1sc2ccccc2c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000327046060 600051350 /nfs/dbraw/zinc/05/13/50/600051350.db2.gz HVSBGXQZGZGNHJ-UHFFFAOYSA-N -1 2 378.387 3.309 20 0 GGADLM COC(=O)c1ccccc1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737711361 600051607 /nfs/dbraw/zinc/05/16/07/600051607.db2.gz GADSFEWMJPPBAN-UHFFFAOYSA-N -1 2 391.426 3.187 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000738347572 600051676 /nfs/dbraw/zinc/05/16/76/600051676.db2.gz OAQJBIKWKMLXKF-UHFFFAOYSA-N -1 2 394.474 3.106 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1C(=O)[O-] ZINC000738969267 600052434 /nfs/dbraw/zinc/05/24/34/600052434.db2.gz LAUKJVQSAPMFJS-UHFFFAOYSA-N -1 2 398.462 3.007 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(-c2ccc(F)cc2)n1 ZINC000738462762 600054049 /nfs/dbraw/zinc/05/40/49/600054049.db2.gz XGRYZJGMJGKSJP-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n(-c2ccccc2C)n1 ZINC000738463728 600054173 /nfs/dbraw/zinc/05/41/73/600054173.db2.gz RZTQFMDFLYSCNW-UHFFFAOYSA-N -1 2 385.445 3.297 20 0 GGADLM Cc1ccsc1Cn1nccc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000738799510 600054709 /nfs/dbraw/zinc/05/47/09/600054709.db2.gz ZEUUDSLJUQIUNU-UHFFFAOYSA-N -1 2 395.462 3.010 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(COc3ccccc3)cs2)s1 ZINC000740187430 600054858 /nfs/dbraw/zinc/05/48/58/600054858.db2.gz JZJNNSBNTULARO-UHFFFAOYSA-N -1 2 396.471 3.283 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)c1C(=O)[O-] ZINC000738969083 600054897 /nfs/dbraw/zinc/05/48/97/600054897.db2.gz HGAUORCIRJVFAM-UHFFFAOYSA-N -1 2 392.458 3.443 20 0 GGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000738347379 600055790 /nfs/dbraw/zinc/05/57/90/600055790.db2.gz ITDLBYLQFJPZIG-UHFFFAOYSA-N -1 2 384.385 3.382 20 0 GGADLM O=C([O-])c1cccc(Cc2cnc(NS(=O)(=O)c3cccc(F)c3)s2)c1 ZINC000740228515 600056102 /nfs/dbraw/zinc/05/61/02/600056102.db2.gz NORMTROPAPKLES-UHFFFAOYSA-N -1 2 392.433 3.372 20 0 GGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1nc2c(s1)CCCCCC2 ZINC000740144466 600056302 /nfs/dbraw/zinc/05/63/02/600056302.db2.gz OWFOOZBIIGTDJL-UHFFFAOYSA-N -1 2 384.454 3.440 20 0 GGADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000740147048 600057599 /nfs/dbraw/zinc/05/75/99/600057599.db2.gz YPSCUDHVHWTRES-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)cc1 ZINC000730203484 600058584 /nfs/dbraw/zinc/05/85/84/600058584.db2.gz AQXGEJWLXSMLSN-UHFFFAOYSA-N -1 2 377.809 3.025 20 0 GGADLM CCc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)[O-])c3s2)s1 ZINC000737268097 600101869 /nfs/dbraw/zinc/10/18/69/600101869.db2.gz PYWZYEVSLNLMIH-UHFFFAOYSA-N -1 2 383.476 3.123 20 0 GGADLM O=C([O-])CCOc1ccc(NC(=O)c2cccc(Br)c2O)cc1 ZINC000739740593 600102084 /nfs/dbraw/zinc/10/20/84/600102084.db2.gz XZVODTMQQDFGDR-UHFFFAOYSA-N -1 2 380.194 3.261 20 0 GGADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3ccc(Cl)s3)nc2n1 ZINC000738346347 600102507 /nfs/dbraw/zinc/10/25/07/600102507.db2.gz RASJJHQYUQMQDX-UHFFFAOYSA-N -1 2 389.867 3.214 20 0 GGADLM O=C([O-])[C@@H](CNC(=O)c1c(O)cc(F)cc1F)Cc1cccc2ccccc21 ZINC000739401345 600181161 /nfs/dbraw/zinc/18/11/61/600181161.db2.gz AFRJBCQZZRZQTF-CQSZACIVSA-N -1 2 385.366 3.497 20 0 GGADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCCCC3)cn2)c1 ZINC000740134659 600247210 /nfs/dbraw/zinc/24/72/10/600247210.db2.gz HWYGANKDNMTXMR-UHFFFAOYSA-N -1 2 395.868 3.224 20 0 GGADLM CC(C)(C)c1csc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000736299674 600421994 /nfs/dbraw/zinc/42/19/94/600421994.db2.gz PLSJHICNAIIZAS-UHFFFAOYSA-N -1 2 376.406 3.218 20 0 GGADLM Cc1ccc2nc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)sc2c1 ZINC000738677581 600422571 /nfs/dbraw/zinc/42/25/71/600422571.db2.gz SPZLMYPEDIXAGW-UHFFFAOYSA-N -1 2 384.385 3.382 20 0 GGADLM Cc1cccc2sc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)nc21 ZINC000738749666 600422746 /nfs/dbraw/zinc/42/27/46/600422746.db2.gz JOHOGNUCPDFCOD-UHFFFAOYSA-N -1 2 384.385 3.382 20 0 GGADLM CC(=C(O)c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1c(C)cccc1C ZINC000738695193 600470674 /nfs/dbraw/zinc/47/06/74/600470674.db2.gz KJYCTYXEMQLLRN-AWEZNQCLSA-N -1 2 377.462 3.133 20 0 GGADLM O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1Cl ZINC000146189970 600482269 /nfs/dbraw/zinc/48/22/69/600482269.db2.gz ZYWNOIPWYLBTQF-UHFFFAOYSA-N -1 2 386.216 3.140 20 0 GGADLM COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1Br ZINC000115934353 600487657 /nfs/dbraw/zinc/48/76/57/600487657.db2.gz RLPAOWFDRNJMMH-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM O=C([O-])CCCOc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000739687520 600489712 /nfs/dbraw/zinc/48/97/12/600489712.db2.gz LVOBXCPGCDFNIP-UHFFFAOYSA-N -1 2 389.351 3.148 20 0 GGADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc(-c3nccc(C)n3)c2)c1C(=O)[O-] ZINC000738791812 600613105 /nfs/dbraw/zinc/61/31/05/600613105.db2.gz AULJVXCCUVRVLR-UHFFFAOYSA-N -1 2 387.417 3.161 20 0 GGADLM O=C([O-])CCc1nnc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)s1 ZINC000739778496 600626571 /nfs/dbraw/zinc/62/65/71/600626571.db2.gz UIQMPUMFAGFRMY-UHFFFAOYSA-N -1 2 378.797 3.116 20 0 GGADLM O=C([O-])c1cc(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000325780351 600635814 /nfs/dbraw/zinc/63/58/14/600635814.db2.gz LXUHBJXYFTVTTP-UHFFFAOYSA-N -1 2 391.188 3.401 20 0 GGADLM CCc1nnc(-c2ccc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])cc2)o1 ZINC000830328792 600690422 /nfs/dbraw/zinc/69/04/22/600690422.db2.gz UZCVNDYJAKISKG-UHFFFAOYSA-N -1 2 391.405 3.008 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(Oc3ccccn3)c2)s1 ZINC000833324573 600692121 /nfs/dbraw/zinc/69/21/21/600692121.db2.gz VYCNYXAHGKEYLZ-UHFFFAOYSA-N -1 2 376.415 3.434 20 0 GGADLM Cn1cc(S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)cc1C(=O)[O-] ZINC000833055183 600808440 /nfs/dbraw/zinc/80/84/40/600808440.db2.gz BNTCWVKXZJBXNI-UHFFFAOYSA-N -1 2 387.442 3.287 20 0 GGADLM Cn1cc(S(=O)(=O)Nc2ccccc2Oc2cccc(F)c2)cc1C(=O)[O-] ZINC000516024797 600813410 /nfs/dbraw/zinc/81/34/10/600813410.db2.gz XPZFZOAHGHWXLQ-UHFFFAOYSA-N -1 2 390.392 3.456 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000832956724 600828394 /nfs/dbraw/zinc/82/83/94/600828394.db2.gz XOZAFTCZXLMCTE-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506576722 600887788 /nfs/dbraw/zinc/88/77/88/600887788.db2.gz FQSUVDFLQTWQAY-UHFFFAOYSA-N -1 2 385.445 3.297 20 0 GGADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000484963538 600891564 /nfs/dbraw/zinc/89/15/64/600891564.db2.gz KHFXDJJBPUYJEZ-UHFFFAOYSA-N -1 2 389.351 3.390 20 0 GGADLM Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)nn1 ZINC000607616158 600897326 /nfs/dbraw/zinc/89/73/26/600897326.db2.gz CMVWLUZQKMDRHJ-UHFFFAOYSA-N -1 2 391.430 3.138 20 0 GGADLM COc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)sc2c1 ZINC000327650686 600974092 /nfs/dbraw/zinc/97/40/92/600974092.db2.gz CZVRDEJADXZRBR-UHFFFAOYSA-N -1 2 378.431 3.112 20 0 GGADLM O=C([O-])CCN(C(=O)Cc1ccc(NC(=O)C2CC2)cc1)c1cccc(F)c1 ZINC000833231391 600975229 /nfs/dbraw/zinc/97/52/29/600975229.db2.gz WDDAFKTXKSJHCA-UHFFFAOYSA-N -1 2 384.407 3.225 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2c3c(nn2-c2ccccc2)CCC3)ccc1C(=O)[O-] ZINC000832903505 600976618 /nfs/dbraw/zinc/97/66/18/600976618.db2.gz KHWHMVJNGILIHY-UHFFFAOYSA-N -1 2 397.456 3.168 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)cs1 ZINC000833306186 600977334 /nfs/dbraw/zinc/97/73/34/600977334.db2.gz JIBZIZSPMQJUHX-UHFFFAOYSA-N -1 2 380.472 3.294 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)cs1 ZINC000833306418 600978337 /nfs/dbraw/zinc/97/83/37/600978337.db2.gz RIJNZFYJPZQSLT-UHFFFAOYSA-N -1 2 398.462 3.434 20 0 GGADLM Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3cc(C)c(F)c(C)c3)nc2n1 ZINC000832866948 600978865 /nfs/dbraw/zinc/97/88/65/600978865.db2.gz IDYIRCLSOAVHPB-UHFFFAOYSA-N -1 2 395.437 3.255 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC000832904557 600979193 /nfs/dbraw/zinc/97/91/93/600979193.db2.gz SJPZGMKISOQHLW-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)c[nH]1 ZINC000833306240 600983025 /nfs/dbraw/zinc/98/30/25/600983025.db2.gz LFCZGLGEBDRJGM-UHFFFAOYSA-N -1 2 377.447 3.002 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000832972764 600988896 /nfs/dbraw/zinc/98/88/96/600988896.db2.gz LWPCMDQNGMGVKZ-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM O=C([O-])c1ccc(Cl)cc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000740135529 601046977 /nfs/dbraw/zinc/04/69/77/601046977.db2.gz MRXCMFXGBBPKKH-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM O=C([O-])c1cc(Cl)cc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000740076435 601050859 /nfs/dbraw/zinc/05/08/59/601050859.db2.gz YJHRLRRTEBOVLA-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000831949550 601200941 /nfs/dbraw/zinc/20/09/41/601200941.db2.gz ALERFCKQFIJRSK-UHFFFAOYSA-N -1 2 376.481 3.010 20 0 GGADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000831949804 601200984 /nfs/dbraw/zinc/20/09/84/601200984.db2.gz GSGNVSXOMPKUIE-UHFFFAOYSA-N -1 2 390.442 3.318 20 0 GGADLM O=C([O-])Cc1csc(NS(=O)(=O)c2csc3ccc(Cl)cc32)n1 ZINC000833270708 601229819 /nfs/dbraw/zinc/22/98/19/601229819.db2.gz XKSFOGMBWBPRMK-UHFFFAOYSA-N -1 2 388.879 3.439 20 0 GGADLM CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3ccc(C(=O)[O-])s3)c2)n1 ZINC000830339358 601234734 /nfs/dbraw/zinc/23/47/34/601234734.db2.gz WFQDWBVFVFGWLD-UHFFFAOYSA-N -1 2 393.446 3.168 20 0 GGADLM COc1ccc(Br)c(S(=O)(=O)Nc2ccsc2C(=O)[O-])c1 ZINC000832143085 601319272 /nfs/dbraw/zinc/31/92/72/601319272.db2.gz KYWJYMLUTZMSCT-UHFFFAOYSA-N -1 2 392.252 3.018 20 0 GGADLM Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000832936111 601329366 /nfs/dbraw/zinc/32/93/66/601329366.db2.gz YDHIEEHFPJNHDL-FLIBITNWSA-N -1 2 397.456 3.138 20 0 GGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccnn2CCc2ccccc2)c1C ZINC000832866880 601329441 /nfs/dbraw/zinc/32/94/41/601329441.db2.gz YRIAREUXJXTSAU-UHFFFAOYSA-N -1 2 399.472 3.242 20 0 GGADLM Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000832936110 601329501 /nfs/dbraw/zinc/32/95/01/601329501.db2.gz YDHIEEHFPJNHDL-DHZHZOJOSA-N -1 2 397.456 3.138 20 0 GGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)ccc1F ZINC000730203613 601331141 /nfs/dbraw/zinc/33/11/41/601331141.db2.gz GGJJREZGNRIOGW-UHFFFAOYSA-N -1 2 395.799 3.164 20 0 GGADLM O=C([O-])Cc1csc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)n1 ZINC000833268644 601339278 /nfs/dbraw/zinc/33/92/78/601339278.db2.gz BHBJTUAEKKLMBY-UHFFFAOYSA-N -1 2 388.879 3.439 20 0 GGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000833323384 601357767 /nfs/dbraw/zinc/35/77/67/601357767.db2.gz JIPARGZDOCVDPX-UHFFFAOYSA-N -1 2 383.429 3.249 20 0 GGADLM CC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3OC)sc2C1 ZINC000829134049 601358407 /nfs/dbraw/zinc/35/84/07/601358407.db2.gz KTGZSDBZMXRXBU-SNVBAGLBSA-N -1 2 396.490 3.166 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000105936998 601358504 /nfs/dbraw/zinc/35/85/04/601358504.db2.gz JTZZFFNBQVPYCA-UHFFFAOYSA-N -1 2 398.849 3.457 20 0 GGADLM CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000826763493 601358548 /nfs/dbraw/zinc/35/85/48/601358548.db2.gz BFGLNURNJHNGSG-PIZKADEWSA-N -1 2 377.466 3.389 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n(Cc2ccccc2)n1 ZINC000832898494 601358879 /nfs/dbraw/zinc/35/88/79/601358879.db2.gz MWZRTQGFTYSUAQ-UHFFFAOYSA-N -1 2 399.472 3.356 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000832899409 601358909 /nfs/dbraw/zinc/35/89/09/601358909.db2.gz JUVYGJUQOCUQKG-XFXZXTDPSA-N -1 2 383.429 3.079 20 0 GGADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ncc(-c2ccccc2)s1 ZINC000832208746 601358970 /nfs/dbraw/zinc/35/89/70/601358970.db2.gz QSJIISQWRSKKFP-UHFFFAOYSA-N -1 2 390.442 3.318 20 0 GGADLM Cc1cc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000832899408 601359028 /nfs/dbraw/zinc/35/90/28/601359028.db2.gz JUVYGJUQOCUQKG-FMIVXFBMSA-N -1 2 383.429 3.079 20 0 GGADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n(C)n1 ZINC000832973396 601361819 /nfs/dbraw/zinc/36/18/19/601361819.db2.gz AJHYUZZTATZAGS-FMIVXFBMSA-N -1 2 397.456 3.294 20 0 GGADLM Cc1ccc(Oc2ccc(NS(=O)(=O)c3csnc3C(=O)[O-])cc2)nc1 ZINC000832953417 601484285 /nfs/dbraw/zinc/48/42/85/601484285.db2.gz LMSNFRWSSISCRV-UHFFFAOYSA-N -1 2 391.430 3.138 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000833345746 601485492 /nfs/dbraw/zinc/48/54/92/601485492.db2.gz XCOSRAUPMDQIOP-UHFFFAOYSA-N -1 2 382.463 3.101 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000833346257 601487171 /nfs/dbraw/zinc/48/71/71/601487171.db2.gz MNZBGAYCLWLHMR-UHFFFAOYSA-N -1 2 380.369 3.137 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000833345783 601487409 /nfs/dbraw/zinc/48/74/09/601487409.db2.gz XNHGOMBTFXMSHT-UHFFFAOYSA-N -1 2 380.369 3.137 20 0 GGADLM CCCCCc1nnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000829373312 601502261 /nfs/dbraw/zinc/50/22/61/601502261.db2.gz QMKNEGXJIPEVJY-UHFFFAOYSA-N -1 2 389.886 3.423 20 0 GGADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)cc1 ZINC000833267622 601503830 /nfs/dbraw/zinc/50/38/30/601503830.db2.gz STQGHSUMOZRCBV-UHFFFAOYSA-N -1 2 395.506 3.089 20 0 GGADLM CCc1ccccc1N1CC(=O)C(C(=O)NCCc2ccc(NC(=O)[O-])cc2)=N1 ZINC000830270369 601757390 /nfs/dbraw/zinc/75/73/90/601757390.db2.gz OHWICAVBFXHPTH-UHFFFAOYSA-N -1 2 394.431 3.203 20 0 GGADLM O=C([O-])[C@H]1CC12CCN(C(=O)c1cc(Cl)cc(Br)c1O)CC2 ZINC000833177258 601757928 /nfs/dbraw/zinc/75/79/28/601757928.db2.gz GPPJPSLEUHMBFY-SNVBAGLBSA-N -1 2 388.645 3.135 20 0 GGADLM CCC[C@@H]1CCc2nc(NS(=O)(=O)c3csnc3C(=O)[O-])sc2C1 ZINC000829267329 601768199 /nfs/dbraw/zinc/76/81/99/601768199.db2.gz SJRQITYVAPFMKB-MRVPVSSYSA-N -1 2 387.508 3.004 20 0 GGADLM O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cc(Cl)ccn1 ZINC000833311693 601769440 /nfs/dbraw/zinc/76/94/40/601769440.db2.gz AUWXPPBCPCPHQS-UHFFFAOYSA-N -1 2 380.731 3.253 20 0 GGADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000833344793 601769459 /nfs/dbraw/zinc/76/94/59/601769459.db2.gz AIZGUQFCWLKUTM-UHFFFAOYSA-N -1 2 381.479 3.023 20 0 GGADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2c(-c3ccco3)nc3ccccn32)cc1 ZINC000833267321 601770558 /nfs/dbraw/zinc/77/05/58/601770558.db2.gz WLBIVLSHZKODTN-UHFFFAOYSA-N -1 2 397.412 3.022 20 0 GGADLM CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000826669698 601770751 /nfs/dbraw/zinc/77/07/51/601770751.db2.gz RSSFMQOEUOHGTJ-UHFFFAOYSA-N -1 2 396.490 3.190 20 0 GGADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000322775046 601770789 /nfs/dbraw/zinc/77/07/89/601770789.db2.gz JVKFOXAGKZEJRB-UHFFFAOYSA-N -1 2 378.834 3.144 20 0 GGADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000327124753 601770829 /nfs/dbraw/zinc/77/08/29/601770829.db2.gz ITZGTDFNDHQLTQ-UHFFFAOYSA-N -1 2 394.396 3.370 20 0 GGADLM CCc1cccc(CC)c1S(=O)(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000830265562 601770917 /nfs/dbraw/zinc/77/09/17/601770917.db2.gz DFZPAZCVZFGCFT-UHFFFAOYSA-N -1 2 382.507 3.476 20 0 GGADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2cccc3c2CCCC3)n1 ZINC000833229856 601772446 /nfs/dbraw/zinc/77/24/46/601772446.db2.gz NTQUAIFHTMTQJP-UHFFFAOYSA-N -1 2 380.491 3.230 20 0 GGADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cccc3ccccc32)c1OC ZINC000484985884 601782933 /nfs/dbraw/zinc/78/29/33/601782933.db2.gz INQQUICJZUDXIJ-UHFFFAOYSA-N -1 2 387.413 3.356 20 0 GGADLM O=C([O-])CCCc1csc(NC(=O)c2cccc(Br)c2O)n1 ZINC000833229580 601802252 /nfs/dbraw/zinc/80/22/52/601802252.db2.gz JSYUSFHHIAKJII-UHFFFAOYSA-N -1 2 385.239 3.271 20 0 GGADLM CCCOc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1Cl ZINC000829538104 601836602 /nfs/dbraw/zinc/83/66/02/601836602.db2.gz ZSEJRXPONADIPR-UHFFFAOYSA-N -1 2 376.843 3.084 20 0 GGADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000833295052 601847586 /nfs/dbraw/zinc/84/75/86/601847586.db2.gz XGVKAEFJIXGUAD-UHFFFAOYSA-N -1 2 392.433 3.372 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])n(-c2ccccc2C)n1 ZINC000832899820 601847639 /nfs/dbraw/zinc/84/76/39/601847639.db2.gz RIRYQUPLXQBQHM-UHFFFAOYSA-N -1 2 389.408 3.127 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(C3CCCCC3)nn2C)ccc1C(=O)[O-] ZINC000832903474 601964228 /nfs/dbraw/zinc/96/42/28/601964228.db2.gz HOFGFGVMEYZEQJ-UHFFFAOYSA-N -1 2 377.466 3.275 20 0 GGADLM COc1ccsc1S(=O)(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000832643038 602101855 /nfs/dbraw/zinc/10/18/55/602101855.db2.gz POJBGDPPPWMHSE-UHFFFAOYSA-N -1 2 376.481 3.010 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)c1C(=O)[O-] ZINC000832972544 602103607 /nfs/dbraw/zinc/10/36/07/602103607.db2.gz FLSIAHYHPRYBNN-UHFFFAOYSA-N -1 2 381.460 3.074 20 0 GGADLM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC000832870368 602103919 /nfs/dbraw/zinc/10/39/19/602103919.db2.gz HTEFOAPMZWMQMW-UHFFFAOYSA-N -1 2 397.522 3.270 20 0 GGADLM CC(C)CCc1ccc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)cc1 ZINC000826861579 602104355 /nfs/dbraw/zinc/10/43/55/602104355.db2.gz ZCXYNYFRWUPWDD-UHFFFAOYSA-N -1 2 397.522 3.335 20 0 GGADLM CCOc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])c2ccccc12 ZINC000830094657 602154960 /nfs/dbraw/zinc/15/49/60/602154960.db2.gz UQXQXAWAFBXFFX-UHFFFAOYSA-N -1 2 378.431 3.194 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2csnc2C(=O)[O-])c(C)cc1Br ZINC000832904256 602155611 /nfs/dbraw/zinc/15/56/11/602155611.db2.gz CDVXBAFRWXFQLW-UHFFFAOYSA-N -1 2 391.268 3.021 20 0 GGADLM CC(C)Cc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])[nH]n1 ZINC000826909767 602305833 /nfs/dbraw/zinc/30/58/33/602305833.db2.gz KPHXNRQXPNPPJK-UHFFFAOYSA-N -1 2 391.371 3.126 20 0 GGADLM CCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000830050149 602309377 /nfs/dbraw/zinc/30/93/77/602309377.db2.gz ZLDGTVBNGXMUKL-UHFFFAOYSA-N -1 2 391.232 3.286 20 0 GGADLM COc1ccc(O)c(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000832425120 602310094 /nfs/dbraw/zinc/31/00/94/602310094.db2.gz PBWTXEJSTAUNFT-UHFFFAOYSA-N -1 2 379.415 3.115 20 0 GGADLM Cc1ccc(-c2nnc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)s2)c(C)c1 ZINC000832907578 604402773 /nfs/dbraw/zinc/40/27/73/604402773.db2.gz CFNMWFBLZPIJEQ-UHFFFAOYSA-N -1 2 389.458 3.321 20 0 GGADLM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(F)cc(Cl)c2O)c(OC)c1 ZINC000833732610 604570156 /nfs/dbraw/zinc/57/01/56/604570156.db2.gz VXCJBDGMTLTJFW-AWEZNQCLSA-N -1 2 397.786 3.148 20 0 GGADLM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2cc(C)cc(F)c2)c1OC ZINC000831972600 604642725 /nfs/dbraw/zinc/64/27/25/604642725.db2.gz MATMHXBTEVFDJO-PLNGDYQASA-N -1 2 395.408 3.050 20 0 GGADLM CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC000833466690 604759435 /nfs/dbraw/zinc/75/94/35/604759435.db2.gz KWTJLKKKYKSTNZ-UHFFFAOYSA-N -1 2 394.474 3.358 20 0 GGADLM O=C([O-])c1cccc(NC2CCN(C(=O)c3c(O)cc(F)cc3F)CC2)c1 ZINC000833332188 604789578 /nfs/dbraw/zinc/78/95/78/604789578.db2.gz OYDJPKRDUQTJER-UHFFFAOYSA-N -1 2 376.359 3.085 20 0 GGADLM Cc1cc(NS(=O)(=O)c2cc(Br)sc2Cl)c(C(=O)[O-])[nH]1 ZINC000832898718 604807237 /nfs/dbraw/zinc/80/72/37/604807237.db2.gz RHKSXQKRVJTQGL-UHFFFAOYSA-N -1 2 399.675 3.300 20 0 GGADLM O=C([O-])COc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1Cl ZINC000833259786 604810667 /nfs/dbraw/zinc/81/06/67/604810667.db2.gz XUCWQNDBDLCTKK-UHFFFAOYSA-N -1 2 395.742 3.022 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1C(F)F ZINC000833494862 604902976 /nfs/dbraw/zinc/90/29/76/604902976.db2.gz YWRWVHIXAOGPNT-VMPITWQZSA-N -1 2 399.419 3.375 20 0 GGADLM O=C([O-])c1ccnc(-c2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[nH]2)c1 ZINC000833334743 604972643 /nfs/dbraw/zinc/97/26/43/604972643.db2.gz ISGMWCPWCOBHIY-UHFFFAOYSA-N -1 2 393.380 3.141 20 0 GGADLM CC(C)(C)c1cnc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)s1 ZINC000833449698 605134581 /nfs/dbraw/zinc/13/45/81/605134581.db2.gz QZUPAUSVXMZNTE-UHFFFAOYSA-N -1 2 380.491 3.358 20 0 GGADLM CCCCn1ncc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c1C ZINC000833650960 605152063 /nfs/dbraw/zinc/15/20/63/605152063.db2.gz CCZNYKWIWDVHSJ-UHFFFAOYSA-N -1 2 388.449 3.039 20 0 GGADLM CC(C)Cn1ncc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C(C)C ZINC000499268684 605164917 /nfs/dbraw/zinc/16/49/17/605164917.db2.gz AMSDWYYMPREDMA-UHFFFAOYSA-N -1 2 383.445 3.301 20 0 GGADLM Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2)c(C(=O)[O-])c1 ZINC000833750818 605188280 /nfs/dbraw/zinc/18/82/80/605188280.db2.gz AVPAAZQUXOPAKP-UHFFFAOYSA-N -1 2 391.836 3.333 20 0 GGADLM COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000055546106 1406996894 /nfs/dbraw/zinc/99/68/94/1406996894.db2.gz NMMQRTXTJQDFAV-UHFFFAOYSA-N -1 2 394.405 3.226 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)NC(C)C)cc2)sc1C(=O)[O-] ZINC000055581486 1407011352 /nfs/dbraw/zinc/01/13/52/1407011352.db2.gz LSKBXEHKPIRNON-UHFFFAOYSA-N -1 2 397.478 3.085 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)sc1C(=O)[O-] ZINC000055585985 1407013373 /nfs/dbraw/zinc/01/33/73/1407013373.db2.gz HVTNHXFRWWLIIW-UHFFFAOYSA-N -1 2 391.430 3.138 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cc(NC(=O)C(C)C)ccc2C)sc1C(=O)[O-] ZINC000055592072 1407017029 /nfs/dbraw/zinc/01/70/29/1407017029.db2.gz FKAMWMDTUQYGNX-UHFFFAOYSA-N -1 2 396.490 3.458 20 0 GGADLM CC(C)(C)c1ncc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000063877936 1408436136 /nfs/dbraw/zinc/43/61/36/1408436136.db2.gz YYMVLCHVWNSATL-UHFFFAOYSA-N -1 2 387.820 3.066 20 0 GGADLM O=S(=O)(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(C2CCCCC2)cc1 ZINC000823589025 1428762280 /nfs/dbraw/zinc/76/22/80/1428762280.db2.gz IRNZCHBSHPPKGN-UHFFFAOYSA-N -1 2 390.494 3.172 20 0 GGADLM O=S(=O)(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(C2CCCCC2)cc1 ZINC000823589025 1428762285 /nfs/dbraw/zinc/76/22/85/1428762285.db2.gz IRNZCHBSHPPKGN-UHFFFAOYSA-N -1 2 390.494 3.172 20 0 GGADLM CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(NC(C)=O)ccc1O ZINC000122909583 1414594390 /nfs/dbraw/zinc/59/43/90/1414594390.db2.gz NZYUKRZLCQLRKU-UHFFFAOYSA-N -1 2 396.491 3.124 20 0 GGADLM O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000823382646 1428992584 /nfs/dbraw/zinc/99/25/84/1428992584.db2.gz BSQCPCRARRKFNY-UHFFFAOYSA-N -1 2 389.853 3.352 20 0 GGADLM O=C([O-])CCCc1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 ZINC000134617739 1417097715 /nfs/dbraw/zinc/09/77/15/1417097715.db2.gz QUVSUHFYSWUEFX-UHFFFAOYSA-N -1 2 399.472 3.140 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2C)sc1C(=O)[O-] ZINC000152626957 1422176003 /nfs/dbraw/zinc/17/60/03/1422176003.db2.gz MKZBAKKZADTTMW-UHFFFAOYSA-N -1 2 395.437 3.189 20 0 GGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c1 ZINC000156300017 1423764843 /nfs/dbraw/zinc/76/48/43/1423764843.db2.gz OIKWTWHZTHEPPP-UHFFFAOYSA-N -1 2 376.365 3.288 20 0 GGADLM Cc1nc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)cc2s1 ZINC000159950095 1424555610 /nfs/dbraw/zinc/55/56/10/1424555610.db2.gz IBRMYZOPJFMDHF-UHFFFAOYSA-N -1 2 384.385 3.382 20 0 GGADLM O=C(Nc1cc(Br)cc(Cl)c1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826451800 1425024467 /nfs/dbraw/zinc/02/44/67/1425024467.db2.gz XAFJPAASMIYVLS-UHFFFAOYSA-N -1 2 394.616 3.241 20 0 GGADLM O=C(Nc1cc(Br)cc(Cl)c1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826451800 1425024473 /nfs/dbraw/zinc/02/44/73/1425024473.db2.gz XAFJPAASMIYVLS-UHFFFAOYSA-N -1 2 394.616 3.241 20 0 GGADLM CCCSc1nsc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821138888 1425943985 /nfs/dbraw/zinc/94/39/85/1425943985.db2.gz JITXBPMEDIQQDE-SECBINFHSA-N -1 2 390.498 3.103 20 0 GGADLM CCCSc1nsc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821138888 1425943989 /nfs/dbraw/zinc/94/39/89/1425943989.db2.gz JITXBPMEDIQQDE-SECBINFHSA-N -1 2 390.498 3.103 20 0 GGADLM Cc1ccc(-c2nsc(NC(=O)c3sccc3-c3nn[n-]n3)n2)s1 ZINC000737303699 1426056566 /nfs/dbraw/zinc/05/65/66/1426056566.db2.gz NEHHNGJOUMNTBK-UHFFFAOYSA-N -1 2 375.464 3.069 20 0 GGADLM Cc1ccc(-c2nsc(NC(=O)c3sccc3-c3nnn[n-]3)n2)s1 ZINC000737303699 1426056571 /nfs/dbraw/zinc/05/65/71/1426056571.db2.gz NEHHNGJOUMNTBK-UHFFFAOYSA-N -1 2 375.464 3.069 20 0 GGADLM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000819933242 1427490649 /nfs/dbraw/zinc/49/06/49/1427490649.db2.gz KWYOPLVBAKHQOU-LBPRGKRZSA-N -1 2 376.436 3.065 20 0 GGADLM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000819933242 1427490652 /nfs/dbraw/zinc/49/06/52/1427490652.db2.gz KWYOPLVBAKHQOU-LBPRGKRZSA-N -1 2 376.436 3.065 20 0 GGADLM CC(C)(C)c1cnc(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000819965846 1427604956 /nfs/dbraw/zinc/60/49/56/1427604956.db2.gz PFSGHCSYFSMRED-UHFFFAOYSA-N -1 2 398.901 3.075 20 0 GGADLM CC(C)(C)c1cnc(NS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000819965846 1427604960 /nfs/dbraw/zinc/60/49/60/1427604960.db2.gz PFSGHCSYFSMRED-UHFFFAOYSA-N -1 2 398.901 3.075 20 0 GGADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000181707529 1430344637 /nfs/dbraw/zinc/34/46/37/1430344637.db2.gz YHLOGDMWQSAJKG-UHFFFAOYSA-N -1 2 390.465 3.136 20 0 GGADLM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000181773472 1430356664 /nfs/dbraw/zinc/35/66/64/1430356664.db2.gz PNOONTSLDBSGBH-CQSZACIVSA-N -1 2 385.445 3.251 20 0 GGADLM CCCNc1ccc(Cl)cc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1 ZINC000182448653 1430469370 /nfs/dbraw/zinc/46/93/70/1430469370.db2.gz SXBBHNNTRCXVRN-UHFFFAOYSA-N -1 2 387.827 3.060 20 0 GGADLM Cc1cc(-c2ncccc2NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cs1 ZINC000186894338 1431557600 /nfs/dbraw/zinc/55/76/00/1431557600.db2.gz QSFFKHHNRBIDIQ-UHFFFAOYSA-N -1 2 393.428 3.016 20 0 GGADLM Cc1cc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)cc(C(=O)[O-])c1Cl ZINC000187716898 1431803514 /nfs/dbraw/zinc/80/35/14/1431803514.db2.gz IRUWXGBAPSCESE-SNVBAGLBSA-N -1 2 383.857 3.315 20 0 GGADLM Cn1ccc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)c21 ZINC000190851434 1432507529 /nfs/dbraw/zinc/50/75/29/1432507529.db2.gz WFKJIFWXRAFPHZ-UHFFFAOYSA-N -1 2 382.800 3.470 20 0 GGADLM COc1cc(F)c(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)cc1OC ZINC000270464215 1434735563 /nfs/dbraw/zinc/73/55/63/1434735563.db2.gz XPOOGNXWXPWBGT-UHFFFAOYSA-N -1 2 397.424 3.051 20 0 GGADLM CCn1nc(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1C1CC1 ZINC000272776481 1434930393 /nfs/dbraw/zinc/93/03/93/1434930393.db2.gz WYEGLTUYSBDUBJ-UHFFFAOYSA-N -1 2 391.493 3.134 20 0 GGADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(C)cc2SCCC(=O)[O-])c1C ZINC000274880463 1435100630 /nfs/dbraw/zinc/10/06/30/1435100630.db2.gz CPWPAVREEHUJMJ-UHFFFAOYSA-N -1 2 397.522 3.196 20 0 GGADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000277559006 1435312747 /nfs/dbraw/zinc/31/27/47/1435312747.db2.gz RMDAWTDHFZEARJ-OIBJUYFYSA-N -1 2 393.305 3.091 20 0 GGADLM C[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820384903 1441420963 /nfs/dbraw/zinc/42/09/63/1441420963.db2.gz MTFDCYDKBLPITC-QMMMGPOBSA-N -1 2 378.219 3.370 20 0 GGADLM C[C@H](NC(=O)c1c(O)cc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820384903 1441420965 /nfs/dbraw/zinc/42/09/65/1441420965.db2.gz MTFDCYDKBLPITC-QMMMGPOBSA-N -1 2 378.219 3.370 20 0 GGADLM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000824737518 1441619312 /nfs/dbraw/zinc/61/93/12/1441619312.db2.gz HPVHAZQZELFHBL-NSHDSACASA-N -1 2 399.480 3.172 20 0 GGADLM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000824737518 1441619315 /nfs/dbraw/zinc/61/93/15/1441619315.db2.gz HPVHAZQZELFHBL-NSHDSACASA-N -1 2 399.480 3.172 20 0 GGADLM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1nc(Sc2ccccc2)ns1 ZINC000823107623 1442268509 /nfs/dbraw/zinc/26/85/09/1442268509.db2.gz BVCWKMPAMLOBMG-UHFFFAOYSA-N -1 2 395.473 3.051 20 0 GGADLM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1nc(Sc2ccccc2)ns1 ZINC000823107623 1442268512 /nfs/dbraw/zinc/26/85/12/1442268512.db2.gz BVCWKMPAMLOBMG-UHFFFAOYSA-N -1 2 395.473 3.051 20 0 GGADLM O=S(=O)(Nc1cccc(C(F)F)c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492891 1442478336 /nfs/dbraw/zinc/47/83/36/1442478336.db2.gz KAECUKLIDPSQHV-UHFFFAOYSA-N -1 2 385.783 3.259 20 0 GGADLM O=S(=O)(Nc1cccc(C(F)F)c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492891 1442478338 /nfs/dbraw/zinc/47/83/38/1442478338.db2.gz KAECUKLIDPSQHV-UHFFFAOYSA-N -1 2 385.783 3.259 20 0 GGADLM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823383120 1443335618 /nfs/dbraw/zinc/33/56/18/1443335618.db2.gz LYFOYFUPANVGEC-UHFFFAOYSA-N -1 2 389.853 3.352 20 0 GGADLM CCOc1ccc(S(=O)(=O)Nc2ccccc2-c2nnn[n-]2)c2ccccc12 ZINC000825643937 1443386855 /nfs/dbraw/zinc/38/68/55/1443386855.db2.gz XIOXHDIYMBVYPQ-UHFFFAOYSA-N -1 2 395.444 3.219 20 0 GGADLM CC(C)(C)c1nnc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000735655411 1443829213 /nfs/dbraw/zinc/82/92/13/1443829213.db2.gz OFEGNQYAOQEUBB-UHFFFAOYSA-N -1 2 398.496 3.212 20 0 GGADLM CC(C)(C)c1nnc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)s1 ZINC000735655411 1443829216 /nfs/dbraw/zinc/82/92/16/1443829216.db2.gz OFEGNQYAOQEUBB-UHFFFAOYSA-N -1 2 398.496 3.212 20 0 GGADLM CCCCOc1ccccc1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736463962 1443863593 /nfs/dbraw/zinc/86/35/93/1443863593.db2.gz UEHJMGDRPONEKW-UHFFFAOYSA-N -1 2 387.465 3.155 20 0 GGADLM CCCCOc1ccccc1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736463962 1443863594 /nfs/dbraw/zinc/86/35/94/1443863594.db2.gz UEHJMGDRPONEKW-UHFFFAOYSA-N -1 2 387.465 3.155 20 0 GGADLM CCCNc1ccc(-c2nnn[n-]2)cc1NS(=O)(=O)c1ccccc1Cl ZINC000736488904 1447160889 /nfs/dbraw/zinc/16/08/89/1447160889.db2.gz TWQHTSRCNRXBJY-UHFFFAOYSA-N -1 2 392.872 3.143 20 0 GGADLM CCCNc1ccc(-c2nn[n-]n2)cc1NS(=O)(=O)c1ccccc1Cl ZINC000736488904 1447160893 /nfs/dbraw/zinc/16/08/93/1447160893.db2.gz TWQHTSRCNRXBJY-UHFFFAOYSA-N -1 2 392.872 3.143 20 0 GGADLM O=C(Nc1nnc(CC2CCCCC2)s1)c1cc(-c2nnn[n-]2)cs1 ZINC000823382662 1449453352 /nfs/dbraw/zinc/45/33/52/1449453352.db2.gz CHEGZLKHDQOMDZ-UHFFFAOYSA-N -1 2 375.483 3.155 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1Cl ZINC000826303974 1449474045 /nfs/dbraw/zinc/47/40/45/1449474045.db2.gz PNRMQLHWOWQKGK-UHFFFAOYSA-N -1 2 384.248 3.283 20 0 GGADLM Cc1cccc(S(=O)(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1Cl ZINC000826303974 1449474048 /nfs/dbraw/zinc/47/40/48/1449474048.db2.gz PNRMQLHWOWQKGK-UHFFFAOYSA-N -1 2 384.248 3.283 20 0 GGADLM CC(C)Oc1c(Cl)cccc1NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000735904379 1449551346 /nfs/dbraw/zinc/55/13/46/1449551346.db2.gz NFTJLXDEFKCBEK-UHFFFAOYSA-N -1 2 393.856 3.108 20 0 GGADLM CC(C)c1ccccc1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824352819 1449586287 /nfs/dbraw/zinc/58/62/87/1449586287.db2.gz PCUTWGNZVACDJG-UHFFFAOYSA-N -1 2 377.857 3.444 20 0 GGADLM CCOc1cc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)ccc1C ZINC000825616113 1450206387 /nfs/dbraw/zinc/20/63/87/1450206387.db2.gz WYRAVMOSBVKRHF-UHFFFAOYSA-N -1 2 393.856 3.028 20 0 GGADLM CCOc1cc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)ccc1C ZINC000825616113 1450206394 /nfs/dbraw/zinc/20/63/94/1450206394.db2.gz WYRAVMOSBVKRHF-UHFFFAOYSA-N -1 2 393.856 3.028 20 0 GGADLM