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COC(=O)[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000899342070 659008252 /nfs/dbraw/zinc/00/82/52/659008252.db2.gz QFXSMJLWXHOPAB-PPLKPFPSSA-N -1 0 381.431 1.913 20 10 GDCDRM O=C([O-])CC1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCOCC1 ZINC001594974126 950901688 /nfs/dbraw/zinc/90/16/88/950901688.db2.gz PGIYXQDFOVKLQM-UHFFFAOYSA-N -1 0 398.406 1.689 20 10 GDCDRM Cn1cc(/C=C/C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c(=O)n(C)c1=O ZINC001594539765 955625071 /nfs/dbraw/zinc/62/50/71/955625071.db2.gz YJXVTFVDPRPFIX-VFNNOXKTSA-N -1 0 397.431 1.168 20 10 GDCDRM C[C@@]1(C(=O)[O-])CCCN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001589189220 956588343 /nfs/dbraw/zinc/58/83/43/956588343.db2.gz YFSVUSHTHIIZSS-IBGZPJMESA-N -1 0 379.432 1.218 20 10 GDCDRM Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001594311839 958036628 /nfs/dbraw/zinc/03/66/28/958036628.db2.gz OVQAQHLYLNNAMR-CQSZACIVSA-N -1 0 383.514 1.623 20 10 GDCDRM CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594171345 959002169 /nfs/dbraw/zinc/00/21/69/959002169.db2.gz LGESNBNRQUWQCM-DZGCQCFKSA-N -1 0 390.417 1.807 20 10 GDCDRM C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)c1ccc(N2CCOCC2)cc1 ZINC001603250889 972423440 /nfs/dbraw/zinc/42/34/40/972423440.db2.gz QJPRMDWVLMVMOT-CQSZACIVSA-N -1 0 397.497 1.215 20 10 GDCDRM C[C@@H]1CC[C@H](C(=O)[O-])N1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001574274038 960616927 /nfs/dbraw/zinc/61/69/27/960616927.db2.gz AWXUVVMGPNDLNV-CXAGYDPISA-N -1 0 379.432 1.216 20 10 GDCDRM COc1ccc(N2CCN(S(=O)(=O)c3ccccc3C(=O)[O-])CC2)cc1 ZINC000257623956 961325838 /nfs/dbraw/zinc/32/58/38/961325838.db2.gz KXNMDMJBNZICCX-UHFFFAOYSA-N -1 0 376.434 1.904 20 10 GDCDRM CC[C@H](CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C(=O)[O-] ZINC001603561046 973675223 /nfs/dbraw/zinc/67/52/23/973675223.db2.gz KCELPSWFWKOLBY-CQSZACIVSA-N -1 0 376.457 1.298 20 10 GDCDRM COc1ccc2c(c1)c1c(n2CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)CCCC1 ZINC001604843544 974084859 /nfs/dbraw/zinc/08/48/59/974084859.db2.gz HIXHGBFAAGKEHW-UHFFFAOYSA-N -1 0 399.447 1.284 20 10 GDCDRM CC(C)NS(=O)(=O)N1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001591667048 975420640 /nfs/dbraw/zinc/42/06/40/975420640.db2.gz ZIMWYHJCGDFSMQ-GQCTYLIASA-N -1 0 398.441 1.057 20 10 GDCDRM COc1ccc(N2CCN(C(=O)c3csc(C(=O)[O-])n3)CC2)c(OC)c1 ZINC000911167500 982265086 /nfs/dbraw/zinc/26/50/86/982265086.db2.gz XWSMSLSFIIKTQO-UHFFFAOYSA-N -1 0 377.422 1.821 20 10 GDCDRM CCOC(=O)[C@H](CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)C(C)=O ZINC001596527430 984343324 /nfs/dbraw/zinc/34/33/24/984343324.db2.gz YPJCAIPOPXJMBE-CYBMUJFWSA-N -1 0 385.800 1.617 20 10 GDCDRM C[C@@H]1CN(c2ccc(CNCc3cn(CC(=O)[O-])nn3)cc2F)C[C@H](C)O1 ZINC001594576729 986423263 /nfs/dbraw/zinc/42/32/63/986423263.db2.gz GKAQUGVJWLACQF-BETUJISGSA-N -1 0 377.420 1.405 20 10 GDCDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC001589588907 987388793 /nfs/dbraw/zinc/38/87/93/987388793.db2.gz NLMVPCXPHMQCFQ-KRWDZBQOSA-N -1 0 383.448 1.896 20 10 GDCDRM C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)c1ccccc1O ZINC001599840228 988813244 /nfs/dbraw/zinc/81/32/44/988813244.db2.gz ZKESSOMCUBEWKF-HPZFQONSSA-N -1 0 396.465 1.563 20 10 GDCDRM C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@H]1CC(=O)[O-] ZINC001599855988 989089226 /nfs/dbraw/zinc/08/92/26/989089226.db2.gz FJRLGLBSTSNTKJ-GDBMZVCRSA-N -1 0 375.469 1.900 20 10 GDCDRM C[C@@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@H]1C(=O)[O-] ZINC001599856740 989100991 /nfs/dbraw/zinc/10/09/91/989100991.db2.gz MMRVZXHUFNUJAE-DGCLKSJQSA-N -1 0 383.395 1.664 20 10 GDCDRM CC(C)[C@H](Sc1ncc(C(=O)[O-])s1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC001591051959 991455599 /nfs/dbraw/zinc/45/55/99/991455599.db2.gz KJQJFOLZFKABLL-IINYFYTJSA-N -1 0 392.524 1.651 20 10 GDCDRM COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3cc(C(=O)[O-])ccn3)C2)cc1 ZINC001599585178 993603756 /nfs/dbraw/zinc/60/37/56/993603756.db2.gz ABVYJLDXFLEHIE-ZDUSSCGKSA-N -1 0 391.449 1.593 20 10 GDCDRM COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cc(C)c(C(=O)[O-])o3)C2)cc1 ZINC001599586975 993626964 /nfs/dbraw/zinc/62/69/64/993626964.db2.gz ZQIIHQYKGQERPU-GFCCVEGCSA-N -1 0 380.422 1.852 20 10 GDCDRM C[C@@H](NC(=O)NC[C@H]1CCO[C@H]1C(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC001593098950 993728778 /nfs/dbraw/zinc/72/87/78/993728778.db2.gz PZIBTFQFUDYARN-FRFSOERESA-N -1 0 377.441 1.373 20 10 GDCDRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001598762853 995796947 /nfs/dbraw/zinc/79/69/47/995796947.db2.gz XHRONEWTWHLGGT-YJBOKZPZSA-N -1 0 376.453 1.486 20 10 GDCDRM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC001598969117 998481713 /nfs/dbraw/zinc/48/17/13/998481713.db2.gz XPTLNEWFOUBQGP-UHFFFAOYSA-N -1 0 392.433 1.716 20 10 GDCDRM CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000298000389 531840001 /nfs/dbraw/zinc/84/00/01/531840001.db2.gz YDLOTBJRASJMRO-CYBMUJFWSA-N -1 0 385.258 1.487 20 10 GDCDRM CC[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000818308156 597225407 /nfs/dbraw/zinc/22/54/07/597225407.db2.gz GWPIVCBFODHCHV-CYBMUJFWSA-N -1 0 382.328 1.963 20 10 GDCDRM NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2)C1 ZINC000739160345 600490981 /nfs/dbraw/zinc/49/09/81/600490981.db2.gz OVKOZLRHJAOSDT-JKSUJKDBSA-N -1 0 388.468 1.395 20 10 GDCDRM Cc1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)ccc1C(=O)[O-] ZINC000327988744 600887627 /nfs/dbraw/zinc/88/76/27/600887627.db2.gz CGQJXBOPGFZOKN-UHFFFAOYSA-N -1 0 384.435 1.866 20 10 GDCDRM NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc2)C1 ZINC000833079947 600904889 /nfs/dbraw/zinc/90/48/89/600904889.db2.gz JNFPMABAAHBMFX-GVDBMIGSSA-N -1 0 387.480 1.896 20 10 GDCDRM O=C([O-])c1ccsc1N1CC[C@H](NC(=O)NCc2ccccc2O)C1=O ZINC000833146399 601149664 /nfs/dbraw/zinc/14/96/64/601149664.db2.gz DEKMBAWSLYNHQZ-LBPRGKRZSA-N -1 0 375.406 1.757 20 10 GDCDRM O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)NCc2ccccc2O)C1=O ZINC000833146398 601149679 /nfs/dbraw/zinc/14/96/79/601149679.db2.gz DEKMBAWSLYNHQZ-GFCCVEGCSA-N -1 0 375.406 1.757 20 10 GDCDRM CNC(=O)Cc1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)cs1 ZINC000830997395 601226138 /nfs/dbraw/zinc/22/61/38/601226138.db2.gz ZBMUCCMIIRGHCU-UHFFFAOYSA-N -1 0 383.857 1.877 20 10 GDCDRM O=C([O-])c1cn(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nn1 ZINC000833121427 601290753 /nfs/dbraw/zinc/29/07/53/601290753.db2.gz GZXLBRZDZKNBQS-NSHDSACASA-N -1 0 395.366 1.363 20 10 GDCDRM CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000105546096 601320534 /nfs/dbraw/zinc/32/05/34/601320534.db2.gz ZQLHVPOEKIJJGT-UHFFFAOYSA-N -1 0 388.398 1.696 20 10 GDCDRM O=C([O-])N(CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000740436757 602075740 /nfs/dbraw/zinc/07/57/40/602075740.db2.gz JPNKETLIJDMSCZ-UHFFFAOYSA-N -1 0 394.447 1.728 20 10 GDCDRM O=C([O-])Nc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000740706652 602091386 /nfs/dbraw/zinc/09/13/86/602091386.db2.gz UNICNPOMQYMHEQ-UHFFFAOYSA-N -1 0 399.407 1.263 20 10 GDCDRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000739585137 602101965 /nfs/dbraw/zinc/10/19/65/602101965.db2.gz QDZHUPOAYBUEKU-OAHLLOKOSA-N -1 0 394.447 1.946 20 10 GDCDRM COc1ccc(O)c([C@H](C)NC(=O)NCCCN2CCN(C(=O)[O-])CC2)c1 ZINC000739925309 602417080 /nfs/dbraw/zinc/41/70/80/602417080.db2.gz KURFWNWUMQUIRX-ZDUSSCGKSA-N -1 0 380.445 1.447 20 10 GDCDRM CC(=O)N[C@@H]1CCCN(C(=O)CN2CCCc3cc(CNC(=O)[O-])ccc32)C1 ZINC000738536267 602649212 /nfs/dbraw/zinc/64/92/12/602649212.db2.gz AZJDMMDSBXHXPO-QGZVFWFLSA-N -1 0 388.468 1.334 20 10 GDCDRM CCCNC(=O)CN(C)C(=O)CN1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000739364922 602649741 /nfs/dbraw/zinc/64/97/41/602649741.db2.gz CYRXCIQNJQGJAG-UHFFFAOYSA-N -1 0 376.457 1.191 20 10 GDCDRM C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H](C)N1C(=O)[O-] ZINC000739137627 602893647 /nfs/dbraw/zinc/89/36/47/602893647.db2.gz HXORSBPCOCDVSW-GASCZTMLSA-N -1 0 376.457 1.805 20 10 GDCDRM C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000825465374 603025412 /nfs/dbraw/zinc/02/54/12/603025412.db2.gz KEPYPDFIHANCJH-BLLLJJGKSA-N -1 0 388.424 1.589 20 10 GDCDRM Cc1nn(C)c(C)c1C(=O)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000830845030 603028427 /nfs/dbraw/zinc/02/84/27/603028427.db2.gz BSPVIIXMSZYITF-HNNXBMFYSA-N -1 0 387.440 1.411 20 10 GDCDRM C[C@H](NC(=O)N[C@@H](CNC(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000738974917 603081311 /nfs/dbraw/zinc/08/13/11/603081311.db2.gz JHDHEFCXKJSDKK-GUYCJALGSA-N -1 0 376.457 1.930 20 10 GDCDRM CN(CCCNC(=O)[O-])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000739675325 603370290 /nfs/dbraw/zinc/37/02/90/603370290.db2.gz JYEZCRYSRRNEOT-OAHLLOKOSA-N -1 0 391.472 1.187 20 10 GDCDRM CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000738164583 603482435 /nfs/dbraw/zinc/48/24/35/603482435.db2.gz VCQPIBXVCFEUGO-UHFFFAOYSA-N -1 0 393.421 1.826 20 10 GDCDRM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COC2CN(C(=O)[O-])C2)cc1 ZINC000828068075 603765358 /nfs/dbraw/zinc/76/53/58/603765358.db2.gz OVFMGTVMKCRHOH-KRWDZBQOSA-N -1 0 391.468 1.639 20 10 GDCDRM 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ZINC000776507309 654692285 /nfs/dbraw/zinc/69/22/85/654692285.db2.gz SZWXRXWFZKIUHV-UHFFFAOYSA-N -1 0 384.435 1.698 20 10 GDCDRM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807513550 655084851 /nfs/dbraw/zinc/08/48/51/655084851.db2.gz POCGUPDFIXHYNW-UHFFFAOYSA-N -1 0 384.219 1.961 20 10 GDCDRM CN(CC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000807835350 655090953 /nfs/dbraw/zinc/09/09/53/655090953.db2.gz WUCZNMJQQQVAJL-NSHDSACASA-N -1 0 381.281 1.434 20 10 GDCDRM Cn1cc(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)nn1 ZINC000812702420 655220033 /nfs/dbraw/zinc/22/00/33/655220033.db2.gz YNMJEZOZEOVVCQ-UHFFFAOYSA-N -1 0 379.423 1.635 20 10 GDCDRM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1F ZINC000765098402 655229854 /nfs/dbraw/zinc/22/98/54/655229854.db2.gz JAMZOPRLDARWCA-UHFFFAOYSA-N -1 0 385.398 1.707 20 10 GDCDRM CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000848610161 655497379 /nfs/dbraw/zinc/49/73/79/655497379.db2.gz LOJSNJUNLZPKOD-SECBINFHSA-N -1 0 387.230 1.340 20 10 GDCDRM O=C([O-])CC[C@@H]1C[C@@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CO1 ZINC001595002371 951148394 /nfs/dbraw/zinc/14/83/94/951148394.db2.gz TZJNWOLVXXWAMF-ZIAGYGMSSA-N -1 0 398.406 1.688 20 10 GDCDRM O=C([O-])CN1CCC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)C1=O ZINC001595087192 951743805 /nfs/dbraw/zinc/74/38/05/951743805.db2.gz RCACDRIUNAZPTK-INIZCTEOSA-N -1 0 386.404 1.837 20 10 GDCDRM CC[C@H](C(=O)[O-])N(C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001589440793 954709989 /nfs/dbraw/zinc/70/99/89/954709989.db2.gz LRUJRRMFCFYFQM-GRDNDAEWSA-N -1 0 395.475 1.851 20 10 GDCDRM CCC(CC)(C(=O)[O-])C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001589476101 954960424 /nfs/dbraw/zinc/96/04/24/954960424.db2.gz XSCGUSBCPLPIQA-UHFFFAOYSA-N -1 0 375.469 1.896 20 10 GDCDRM C[C@@H]1CN(c2ccc(CNC(=O)N3CCO[C@H](C(=O)[O-])C3)cc2F)C[C@H](C)O1 ZINC000736825917 955217314 /nfs/dbraw/zinc/21/73/14/955217314.db2.gz OUSGGCFZQGSFJQ-AHIWAGSCSA-N -1 0 395.431 1.434 20 10 GDCDRM COc1cc(N2CCN(C(=O)[C@@H](C(=O)[O-])C(C)C)CC2)cc(OC)c1OC ZINC000911542800 957079164 /nfs/dbraw/zinc/07/91/64/957079164.db2.gz QEZDKIWKVVDUMA-INIZCTEOSA-N -1 0 380.441 1.718 20 10 GDCDRM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001594311132 958021948 /nfs/dbraw/zinc/02/19/48/958021948.db2.gz DMLDNMHVUROFEL-PBHICJAKSA-N -1 0 375.469 1.431 20 10 GDCDRM COc1ccc(N2CCN(CCNC(=O)N(C)C[C@@H](C)C(=O)[O-])CC2)cc1 ZINC001594101627 958441483 /nfs/dbraw/zinc/44/14/83/958441483.db2.gz MYRQZKZEXVVWLK-OAHLLOKOSA-N -1 0 378.473 1.179 20 10 GDCDRM CC(C)(C)CN(CC(=O)[O-])CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001588655738 960411865 /nfs/dbraw/zinc/41/18/65/960411865.db2.gz LDLNVWJGALYAQT-UHFFFAOYSA-N -1 0 395.475 1.711 20 10 GDCDRM Cc1cc(C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c(C)n1-c1ccccn1 ZINC000818315794 978911142 /nfs/dbraw/zinc/91/11/42/978911142.db2.gz JDUCYELKWCLCOW-AWEZNQCLSA-N -1 0 380.408 1.866 20 10 GDCDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000871792942 979968707 /nfs/dbraw/zinc/96/87/07/979968707.db2.gz SPOSXDOXMFHZFD-UHFFFAOYSA-N -1 0 394.449 1.944 20 10 GDCDRM CC[C@@H](C)[C@H](NC(=O)CN1CCCN(c2ccc(OC)cc2)CC1)C(=O)[O-] ZINC001594894403 982320259 /nfs/dbraw/zinc/32/02/59/982320259.db2.gz RHKGYRPZUYMZQQ-BEFAXECRSA-N -1 0 377.485 1.823 20 10 GDCDRM COc1ccc(N2CCN(c3ccc(S(N)(=O)=O)cc3C(=O)[O-])CC2)cc1 ZINC000915047296 982662977 /nfs/dbraw/zinc/66/29/77/982662977.db2.gz IHOBOZFWYGOQIS-UHFFFAOYSA-N -1 0 391.449 1.367 20 10 GDCDRM O=C([O-])c1cccc(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000917919218 982685268 /nfs/dbraw/zinc/68/52/68/982685268.db2.gz WGTUAXSJLVRSNF-UHFFFAOYSA-N -1 0 394.424 1.839 20 10 GDCDRM CCNC(=O)c1cccc(NC(=O)CN(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001596485470 984219883 /nfs/dbraw/zinc/21/98/83/984219883.db2.gz BXDRPOQGCUICDI-UHFFFAOYSA-N -1 0 385.420 1.975 20 10 GDCDRM C[C@@H]1CN(c2ccc(CNCc3cn(CC(=O)[O-])nn3)cc2F)C[C@@H](C)O1 ZINC001594576730 986423375 /nfs/dbraw/zinc/42/33/75/986423375.db2.gz GKAQUGVJWLACQF-CHWSQXEVSA-N -1 0 377.420 1.405 20 10 GDCDRM CCOc1ccc(N2CCN(C(=O)CN3CCC[C@@H](C(=O)[O-])C3=O)CC2)cc1 ZINC001597106749 986750154 /nfs/dbraw/zinc/75/01/54/986750154.db2.gz SNDHRTKPTUGMCY-QGZVFWFLSA-N -1 0 389.452 1.057 20 10 GDCDRM CCOc1ccc(N2CCN([C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CC2)cc1 ZINC001597110814 986757785 /nfs/dbraw/zinc/75/77/85/986757785.db2.gz GCCCHTGYTLRONT-INIZCTEOSA-N -1 0 389.496 1.919 20 10 GDCDRM C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)c1ccccc1O ZINC001599840229 988813667 /nfs/dbraw/zinc/81/36/67/988813667.db2.gz ZKESSOMCUBEWKF-LLFUWHRMSA-N -1 0 396.465 1.563 20 10 GDCDRM COc1ccc(N2CCC(NC(=O)N3C[C@H](C)O[C@H](C(=O)[O-])C3)CC2)cc1 ZINC001599586954 993625853 /nfs/dbraw/zinc/62/58/53/993625853.db2.gz YMKGFCJOMMYQGM-GUYCJALGSA-N -1 0 377.441 1.548 20 10 GDCDRM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001598762852 995796730 /nfs/dbraw/zinc/79/67/30/995796730.db2.gz XHRONEWTWHLGGT-QAPCUYQASA-N -1 0 376.453 1.486 20 10 GDCDRM COC(=O)/C=C\c1ccc(N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001598835250 996478665 /nfs/dbraw/zinc/47/86/65/996478665.db2.gz VSCAAMFUJSNXRR-DTRLITFPSA-N -1 0 376.365 1.709 20 10 GDCDRM C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001594153496 998547110 /nfs/dbraw/zinc/54/71/10/998547110.db2.gz NGYDBDSGMPHENC-YPMHNXCESA-N -1 0 383.395 1.806 20 10 GDCDRM C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001594153493 998547481 /nfs/dbraw/zinc/54/74/81/998547481.db2.gz NGYDBDSGMPHENC-WCQYABFASA-N -1 0 383.395 1.806 20 10 GDCDRM NS(=O)(=O)c1cc(F)cc([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000055678809 530711166 /nfs/dbraw/zinc/71/11/66/530711166.db2.gz IJXKOGPAROUATJ-UHFFFAOYSA-N -1 0 388.427 1.279 20 10 GDCDRM CN(C)C(=O)COc1ccccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000063454126 530745888 /nfs/dbraw/zinc/74/58/88/530745888.db2.gz VEHSGBIAIYRFGO-GHXNOFRVSA-N -1 0 380.447 1.439 20 10 GDCDRM COCCNC(=O)CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000121262079 530952599 /nfs/dbraw/zinc/95/25/99/530952599.db2.gz ALGUYDBAGFRTSI-UHFFFAOYSA-N -1 0 376.284 1.579 20 10 GDCDRM COCCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000290555700 531241715 /nfs/dbraw/zinc/24/17/15/531241715.db2.gz SASDALOXKCFZML-LBPRGKRZSA-N -1 0 378.834 1.589 20 10 GDCDRM C[C@H](C(=O)[O-])N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000818112307 597469925 /nfs/dbraw/zinc/46/99/25/597469925.db2.gz AIAIFEGSKPRVAF-MGPQQGTHSA-N -1 0 381.448 1.460 20 10 GDCDRM COc1ccc(C=C2SC(=S)N(CC(=O)[O-])C2=O)cc1-c1nn[nH]n1 ZINC000821787351 599379696 /nfs/dbraw/zinc/37/96/96/599379696.db2.gz RQIFRVSXILNBTH-BJMVGYQFSA-N -1 0 377.407 1.161 20 10 GDCDRM O=C([O-])NCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000739938363 599723476 /nfs/dbraw/zinc/72/34/76/599723476.db2.gz RXQRQDCLGOAUMV-UHFFFAOYSA-N -1 0 375.347 1.816 20 10 GDCDRM C[C@@H]1CN(c2ccc(CNC(=O)Cn3cnc(C(=O)[O-])n3)cc2F)C[C@@H](C)O1 ZINC000736823077 600472837 /nfs/dbraw/zinc/47/28/37/600472837.db2.gz GPICNMOTFSBYQU-VXGBXAGGSA-N -1 0 391.403 1.045 20 10 GDCDRM CC(C)(CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(=O)[O-] ZINC000826585641 601685073 /nfs/dbraw/zinc/68/50/73/601685073.db2.gz QGPQEIGBGGWIMD-AWEZNQCLSA-N -1 0 376.457 1.298 20 10 GDCDRM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000825942009 601813587 /nfs/dbraw/zinc/81/35/87/601813587.db2.gz IYLJARZBHNDDHJ-ACJLOTCBSA-N -1 0 376.453 1.580 20 10 GDCDRM CC[C@@H](C)[C@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000828709303 601858652 /nfs/dbraw/zinc/85/86/52/601858652.db2.gz QVWVJJRQIQWULI-BEFAXECRSA-N -1 0 377.485 1.571 20 10 GDCDRM CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@H](CNC(=O)[O-])C2)c1 ZINC000738585793 601911478 /nfs/dbraw/zinc/91/14/78/601911478.db2.gz MXEAEKUIZWFPHP-OAHLLOKOSA-N -1 0 391.468 1.517 20 10 GDCDRM CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](N(C)C(=O)[O-])C1)cc2=O ZINC000739482182 601966828 /nfs/dbraw/zinc/96/68/28/601966828.db2.gz LLUUYTZNLRNAGX-LBPRGKRZSA-N -1 0 377.401 1.186 20 10 GDCDRM COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](N(C)C(=O)[O-])C3)CC2)cc1 ZINC000739911203 601969553 /nfs/dbraw/zinc/96/95/53/601969553.db2.gz YJJJUMQKZHTGOT-QGZVFWFLSA-N -1 0 390.484 1.418 20 10 GDCDRM CN(CC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000739631720 602211607 /nfs/dbraw/zinc/21/16/07/602211607.db2.gz TYYGXXKUVJDWKE-UHFFFAOYSA-N -1 0 396.355 1.554 20 10 GDCDRM C[C@H]1CN(c2ccc(CNC(=O)COCCNC(=O)[O-])cc2F)C[C@H](C)O1 ZINC000739189385 602661529 /nfs/dbraw/zinc/66/15/29/602661529.db2.gz CZHSEOBMGWMZAX-STQMWFEESA-N -1 0 383.420 1.340 20 10 GDCDRM CC(C)(CCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)NC(=O)[O-] ZINC000738740841 602792840 /nfs/dbraw/zinc/79/28/40/602792840.db2.gz PWVZAMMGXLCYDC-OAHLLOKOSA-N -1 0 390.484 1.831 20 10 GDCDRM Cc1ccnc2nc(C(=O)NC[C@H](NC(=O)[O-])c3ccc(N(C)C)cc3)nn21 ZINC000830611055 603026485 /nfs/dbraw/zinc/02/64/85/603026485.db2.gz DVKRURTWOJVILD-AWEZNQCLSA-N -1 0 383.412 1.237 20 10 GDCDRM COc1ccc(N2CCN(CCNC(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)CC2)cc1 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660206760 /nfs/dbraw/zinc/20/67/60/660206760.db2.gz OBSKCKKKAPAFLN-UHFFFAOYSA-N -1 0 376.463 1.865 20 10 GDCDRM Cn1cc(-c2csc([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)cn1 ZINC000743046303 654713028 /nfs/dbraw/zinc/71/30/28/654713028.db2.gz AMXNTLJTBJQJMC-UHFFFAOYSA-N -1 0 398.491 1.748 20 10 GDCDRM COC(=O)c1cc(S(=O)(=O)NCc2ccccc2O)c(C(=O)OC)s1 ZINC000751149006 654874261 /nfs/dbraw/zinc/87/42/61/654874261.db2.gz IAVBRECFFQXAPO-UHFFFAOYSA-N -1 0 385.419 1.505 20 10 GDCDRM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cn(C)c(C)n2)c(F)c1 ZINC000830150263 654931528 /nfs/dbraw/zinc/93/15/28/654931528.db2.gz HSAOKZPAPJLXSU-UHFFFAOYSA-N -1 0 390.462 1.820 20 10 GDCDRM O=C([O-])CC[C@@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000817110674 655342209 /nfs/dbraw/zinc/34/22/09/655342209.db2.gz KFKVSUUZKAFTRH-LBPRGKRZSA-N -1 0 385.511 1.845 20 10 GDCDRM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(F)c(O)cc1C(=O)OC ZINC000844662334 655412911 /nfs/dbraw/zinc/41/29/11/655412911.db2.gz DISBZDUGMBHUAM-CYBMUJFWSA-N -1 0 377.390 1.791 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/nfs/dbraw/zinc/14/05/95/939140595.db2.gz TZMURODDFUIVGZ-UHFFFAOYSA-N -1 0 379.432 1.983 20 10 GDCDRM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000846705536 955711275 /nfs/dbraw/zinc/71/12/75/955711275.db2.gz FNYREPDHFKNLEQ-LSDHHAIUSA-N -1 0 380.466 1.039 20 10 GDCDRM CC(=O)N1CCN(c2ccc(CNC(=O)/C=C/c3ccc(C(=O)[O-])o3)cc2)CC1 ZINC001588496916 958685095 /nfs/dbraw/zinc/68/50/95/958685095.db2.gz QNESBJVDIGPMBV-VQHVLOKHSA-N -1 0 397.431 1.976 20 10 GDCDRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001573450178 958872808 /nfs/dbraw/zinc/87/28/08/958872808.db2.gz DXMPDJWXGUKARC-IBGZPJMESA-N -1 0 392.408 1.325 20 10 GDCDRM O=C([O-])C1=NO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC001574643803 962364529 /nfs/dbraw/zinc/36/45/29/962364529.db2.gz HSRCOMPVGDPQLB-YGRLFVJLSA-N -1 0 383.351 1.603 20 10 GDCDRM O=C([O-])c1cnc(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)cn1 ZINC000263399611 962562148 /nfs/dbraw/zinc/56/21/48/962562148.db2.gz IOOPDUHMUKEXFK-UHFFFAOYSA-N -1 0 378.388 1.998 20 10 GDCDRM O=C([O-])c1ccc2c(c1)CCCN2C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC001606502073 973990248 /nfs/dbraw/zinc/99/02/48/973990248.db2.gz BSYACMIVISBRHY-UHFFFAOYSA-N -1 0 387.417 1.162 20 10 GDCDRM C[C@](CC(=O)[O-])(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccnc1 ZINC001592302919 977652285 /nfs/dbraw/zinc/65/22/85/977652285.db2.gz DOABBNQKRPQRPC-QGZVFWFLSA-N -1 0 393.421 1.279 20 10 GDCDRM COc1cc(N2CCN(C(=O)NCCCCC(=O)[O-])CC2)cc(OC)c1OC ZINC000840992654 979290537 /nfs/dbraw/zinc/29/05/37/979290537.db2.gz CWYPJQZULFOKAB-UHFFFAOYSA-N -1 0 395.456 1.799 20 10 GDCDRM COCCO[C@@H]1C[C@H](CO)CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844214454 979374844 /nfs/dbraw/zinc/37/48/44/979374844.db2.gz QXTPURAJQMRTCE-ACYLFWIKSA-N -1 0 380.397 1.543 20 10 GDCDRM CN(C[C@H]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000844219752 979384187 /nfs/dbraw/zinc/38/41/87/979384187.db2.gz VUGZRXHLHSLFRS-IQCBXXCUSA-N -1 0 397.453 1.800 20 10 GDCDRM CN(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598049768 990300087 /nfs/dbraw/zinc/30/00/87/990300087.db2.gz AQKDQNXZQDDXJE-BETUJISGSA-N -1 0 383.395 1.806 20 10 GDCDRM CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CCC(F)(F)F)CC(=O)[O-])c1 ZINC001599760366 992112759 /nfs/dbraw/zinc/11/27/59/992112759.db2.gz AMNOENSDBQFPTK-UHFFFAOYSA-N -1 0 384.332 1.243 20 10 GDCDRM CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1 ZINC001599761037 992122978 /nfs/dbraw/zinc/12/29/78/992122978.db2.gz LFZDXDPUOJPRCY-LBPRGKRZSA-N -1 0 384.454 1.775 20 10 GDCDRM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001598762850 995796824 /nfs/dbraw/zinc/79/68/24/995796824.db2.gz XHRONEWTWHLGGT-CRAIPNDOSA-N -1 0 376.453 1.486 20 10 GDCDRM COC(=O)c1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC001598988714 998717767 /nfs/dbraw/zinc/71/77/67/998717767.db2.gz OBKZEAPLLYMSAF-UHFFFAOYSA-N -1 0 392.433 1.716 20 10 GDCDRM [O-]c1c(Br)cc(Br)cc1CN1C[C@H](O)C[C@H]1CO ZINC000363891704 531515330 /nfs/dbraw/zinc/51/53/30/531515330.db2.gz USUDOKJMDCGDIH-VHSXEESVSA-N -1 0 381.064 1.845 20 10 GDCDRM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cnn(CC(F)F)c2)cc1 ZINC000283774285 531893552 /nfs/dbraw/zinc/89/35/52/531893552.db2.gz BKTNHTZACNNTTK-UHFFFAOYSA-N -1 0 380.398 1.321 20 10 GDCDRM COc1cc(Br)cc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1O ZINC000368050816 531887684 /nfs/dbraw/zinc/88/76/84/531887684.db2.gz ICTJVTAMCDILKP-UHFFFAOYSA-N -1 0 398.257 1.680 20 10 GDCDRM COc1cccc(CNC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c1O ZINC000738097371 600347949 /nfs/dbraw/zinc/34/79/49/600347949.db2.gz QEOSCORJPCNISY-UHFFFAOYSA-N -1 0 388.376 1.428 20 10 GDCDRM CC1CCN(c2ccc(CNS(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2)CC1 ZINC000828301847 600743511 /nfs/dbraw/zinc/74/35/11/600743511.db2.gz AFFUZYAEGDPATQ-UHFFFAOYSA-N -1 0 392.481 1.683 20 10 GDCDRM O=C([O-])[C@H]1COCCN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000833108950 601562442 /nfs/dbraw/zinc/56/24/42/601562442.db2.gz BICOPZDCLGOOHH-MRXNPFEDSA-N -1 0 394.383 1.186 20 10 GDCDRM COc1ccc(N2CCN(c3cc(C)nc4nc(C(=O)[O-])nn43)CC2)cc1F ZINC000832384031 601562625 /nfs/dbraw/zinc/56/26/25/601562625.db2.gz QHSBIUNMIDIEEA-UHFFFAOYSA-N -1 0 386.387 1.605 20 10 GDCDRM CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000830830476 601568172 /nfs/dbraw/zinc/56/81/72/601568172.db2.gz FCBOYRYWGDDZGV-UHFFFAOYSA-N -1 0 397.478 1.499 20 10 GDCDRM O=C([O-])CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC000833247665 601581294 /nfs/dbraw/zinc/58/12/94/601581294.db2.gz UAPUTBDPCGUWIF-UHFFFAOYSA-N -1 0 378.384 1.950 20 10 GDCDRM O=C([O-])N1CCC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000740451434 602015939 /nfs/dbraw/zinc/01/59/39/602015939.db2.gz SMIMMMCZKWEBKU-OAHLLOKOSA-N -1 0 394.447 1.852 20 10 GDCDRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000739237343 602130948 /nfs/dbraw/zinc/13/09/48/602130948.db2.gz LIWJCNNQLUOXAT-BBRMVZONSA-N -1 0 397.497 1.220 20 10 GDCDRM CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000830883789 602316389 /nfs/dbraw/zinc/31/63/89/602316389.db2.gz SRBYWDZYYGAGGP-GQCTYLIASA-N -1 0 383.426 1.553 20 10 GDCDRM O=C([O-])NCc1ccc2c(c1)CCCN2CC(=O)NC(=O)NCC(F)(F)F ZINC000740676493 602649417 /nfs/dbraw/zinc/64/94/17/602649417.db2.gz RXJFDKAOLAGVNZ-UHFFFAOYSA-N -1 0 388.346 1.595 20 10 GDCDRM CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H]1CCC[C@@H]1NC(=O)[O-])cc2=O ZINC000739482252 603123363 /nfs/dbraw/zinc/12/33/63/603123363.db2.gz OCHAFNPSVYMIJJ-PWSUYJOCSA-N -1 0 392.368 1.091 20 10 GDCDRM COc1ccc(N2CCN(C(=O)COC(=O)CC(C)(C)NC(=O)[O-])CC2)cc1 ZINC000739908983 603130949 /nfs/dbraw/zinc/13/09/49/603130949.db2.gz ISQZGDDJKFQGRL-UHFFFAOYSA-N -1 0 393.440 1.323 20 10 GDCDRM COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc(CNC(=O)[O-])c2)c1 ZINC000829483623 603713241 /nfs/dbraw/zinc/71/32/41/603713241.db2.gz KDYRQPJISCRSHI-LLVKDONJSA-N -1 0 387.392 1.984 20 10 GDCDRM O=C([O-])N1CC[C@@](F)(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000831901359 603851179 /nfs/dbraw/zinc/85/11/79/603851179.db2.gz GVCXSJCUXSYVJT-SFHVURJKSA-N -1 0 383.395 1.495 20 10 GDCDRM CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000828355155 604054172 /nfs/dbraw/zinc/05/41/72/604054172.db2.gz IWGWUJZQSJBMIK-GJZGRUSLSA-N -1 0 377.441 1.691 20 10 GDCDRM Cc1cc(O)cc(=O)n1CC(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000830123642 604373386 /nfs/dbraw/zinc/37/33/86/604373386.db2.gz ZBZMFSBNOCNRPG-INIZCTEOSA-N -1 0 388.424 1.053 20 10 GDCDRM O=C([O-])NC1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000832172649 604429667 /nfs/dbraw/zinc/42/96/67/604429667.db2.gz MZVYJYQAGRVNKQ-UHFFFAOYSA-N -1 0 387.358 1.958 20 10 GDCDRM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000825317202 604539294 /nfs/dbraw/zinc/53/92/94/604539294.db2.gz CEWBOAAOBFVRTF-RHSMWYFYSA-N -1 0 392.456 1.090 20 10 GDCDRM O=C([O-])N1CCO[C@@H](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000831387945 604725873 /nfs/dbraw/zinc/72/58/73/604725873.db2.gz RHKQJQFLLDCLTH-AWEZNQCLSA-N -1 0 381.404 1.047 20 10 GDCDRM C[C@@H](NC(=O)C[C@@H]1CN(C(=O)[O-])CCO1)c1ccc(N2CCOCC2)cc1 ZINC000825108168 604758359 /nfs/dbraw/zinc/75/83/59/604758359.db2.gz JTJVTXFCILZWDG-RHSMWYFYSA-N -1 0 377.441 1.469 20 10 GDCDRM CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)c1 ZINC000833738176 605272384 /nfs/dbraw/zinc/27/23/84/605272384.db2.gz QPASMRTUHFVGGU-CQSZACIVSA-N -1 0 380.378 1.025 20 10 GDCDRM NC(=O)COc1ccc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC000833761678 605282722 /nfs/dbraw/zinc/28/27/22/605282722.db2.gz PSYNKCWZPWXXJH-UHFFFAOYSA-N -1 0 392.795 1.637 20 10 GDCDRM CS(=O)(=O)Nc1ccc(O)c(C(=O)O[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC000833738029 605504408 /nfs/dbraw/zinc/50/44/08/605504408.db2.gz PNYRNRYPMQAIFU-HNNXBMFYSA-N -1 0 397.380 1.756 20 10 GDCDRM O=C([O-])N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000834032678 605609752 /nfs/dbraw/zinc/60/97/52/605609752.db2.gz XKZISHGUKPSHSC-WCQYABFASA-N -1 0 381.454 1.565 20 10 GDCDRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000834092906 605976918 /nfs/dbraw/zinc/97/69/18/605976918.db2.gz KZVNKXIRIPPHOX-MSOLQXFVSA-N -1 0 388.468 1.950 20 10 GDCDRM O=C([O-])CCCN1C(=O)C(=Cc2cc(-c3nn[nH]n3)cs2)SC1=S ZINC000823387654 606334974 /nfs/dbraw/zinc/33/49/74/606334974.db2.gz SMEKVORATAESCR-UITAMQMPSA-N -1 0 381.464 1.994 20 10 GDCDRM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)ccc1O ZINC000826271482 609156607 /nfs/dbraw/zinc/15/66/07/609156607.db2.gz SXXSCPVUKKRFEP-UHFFFAOYSA-N -1 0 376.354 1.590 20 10 GDCDRM COc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1cccc2nsnc21 ZINC000547905568 650520729 /nfs/dbraw/zinc/52/07/29/650520729.db2.gz AGWILJCOGZKTRT-UHFFFAOYSA-N -1 0 379.419 1.980 20 10 GDCDRM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768865470 654438509 /nfs/dbraw/zinc/43/85/09/654438509.db2.gz JYTKEZGMOGJZEA-UHFFFAOYSA-N -1 0 377.425 1.829 20 10 GDCDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)o1 ZINC000748640320 654809005 /nfs/dbraw/zinc/80/90/05/654809005.db2.gz 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CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000828355160 604054202 /nfs/dbraw/zinc/05/42/02/604054202.db2.gz IWGWUJZQSJBMIK-LSDHHAIUSA-N -1 0 377.441 1.691 20 10 GDCDRM O=C([O-])N[C@@H]1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC000740593642 604429218 /nfs/dbraw/zinc/42/92/18/604429218.db2.gz IPTOZFBUBSQTMN-CYBMUJFWSA-N -1 0 393.399 1.742 20 10 GDCDRM COc1ccc(N2CCN(C(=O)C[C@@H]3CN(C(=O)[O-])CCO3)CC2)cc1F ZINC000829423611 604893183 /nfs/dbraw/zinc/89/31/83/604893183.db2.gz IHKRCXMBIKLWSG-CQSZACIVSA-N -1 0 381.404 1.252 20 10 GDCDRM CC(C)(CNC(=O)[O-])NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000823985757 605569874 /nfs/dbraw/zinc/56/98/74/605569874.db2.gz DBJBDJGNNNVJKG-UHFFFAOYSA-N -1 0 382.436 1.632 20 10 GDCDRM O=C([O-])Nc1cnc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000834276748 606057689 /nfs/dbraw/zinc/05/76/89/606057689.db2.gz HJVKTQYXQIKMQC-UHFFFAOYSA-N -1 0 385.424 1.705 20 10 GDCDRM CC1CCN(c2ccc(CNC(=O)Cn3cnc(-c4nnn[n-]4)n3)cc2)CC1 ZINC000820727892 607214932 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O=C([O-])[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC001611361327 971005030 /nfs/dbraw/zinc/00/50/30/971005030.db2.gz BFDFNAKYHMXQDI-DOTOQJQBSA-N -1 0 385.376 1.817 20 10 GDCDRM CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000326685038 971317325 /nfs/dbraw/zinc/31/73/25/971317325.db2.gz OTMQEVXZYQEUIM-UHFFFAOYSA-N -1 0 386.407 1.263 20 10 GDCDRM C[C@H]1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C(=O)[O-] ZINC001589328073 953927522 /nfs/dbraw/zinc/92/75/22/953927522.db2.gz NHDQSLAXXQZTRW-LIRRHRJNSA-N -1 0 393.459 1.464 20 10 GDCDRM NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3cc(C(=O)[O-])ccn3)cc2)C1 ZINC001594640381 956413185 /nfs/dbraw/zinc/41/31/85/956413185.db2.gz KQUOHKJLVPAWKX-HNNXBMFYSA-N -1 0 397.435 1.803 20 10 GDCDRM COc1ccc(N2CCCN(C(=O)[C@H]3CCCN(CC(=O)[O-])C3=O)CC2)cc1 ZINC001594101321 958437280 /nfs/dbraw/zinc/43/72/80/958437280.db2.gz PPZXYWCQFKLDAI-QGZVFWFLSA-N -1 0 389.452 1.057 20 10 GDCDRM C[C@H]1CN(c2ccc(CNC(=O)c3cn(CC(=O)[O-])nn3)cc2F)C[C@H](C)O1 ZINC001573749022 960528968 /nfs/dbraw/zinc/52/89/68/960528968.db2.gz YONYGIGEQOUWEB-RYUDHWBXSA-N -1 0 391.403 1.045 20 10 GDCDRM Cc1ccc(C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c(O)c1O ZINC001594347465 970212932 /nfs/dbraw/zinc/21/29/32/970212932.db2.gz OWFZBGDZJDTOII-LSDHHAIUSA-N -1 0 384.388 1.563 20 10 GDCDRM COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCO1 ZINC001604549508 973545693 /nfs/dbraw/zinc/54/56/93/973545693.db2.gz BYHTZOFHZSJPEO-FOIQADDNSA-N -1 0 393.484 1.504 20 10 GDCDRM Cn1cc(N2C[C@H](C(=O)Nc3sc4c(c3C(=O)[O-])COCC4)CC2=O)cn1 ZINC001605501978 973675511 /nfs/dbraw/zinc/67/55/11/973675511.db2.gz QERBTLNLAXYNHM-SECBINFHSA-N -1 0 390.421 1.244 20 10 GDCDRM CCN(C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@H](C)C(=O)[O-] ZINC001603706359 974116087 /nfs/dbraw/zinc/11/60/87/974116087.db2.gz ZINLHOLWZMWNDF-FJVVXJACSA-N -1 0 389.452 1.222 20 10 GDCDRM CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000797431414 978834023 /nfs/dbraw/zinc/83/40/23/978834023.db2.gz OCFJWFXWVOZSCB-UHFFFAOYSA-N -1 0 399.450 1.370 20 10 GDCDRM C[C@H](NC(=O)Cn1cccc(C(=O)[O-])c1=O)c1ccc(N2CCOCC2)cc1 ZINC001593049504 980336205 /nfs/dbraw/zinc/33/62/05/980336205.db2.gz CAQCVOQJURKZLW-AWEZNQCLSA-N -1 0 385.420 1.261 20 10 GDCDRM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC000911130589 982251455 /nfs/dbraw/zinc/25/14/55/982251455.db2.gz CCGNOXVPWPNNOF-FUHWJXTLSA-N -1 0 376.453 1.752 20 10 GDCDRM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cc1 ZINC001598318255 991312449 /nfs/dbraw/zinc/31/24/49/991312449.db2.gz ZQXKJSBEXWEGTL-KURKYZTESA-N -1 0 376.453 1.892 20 10 GDCDRM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)c1ccc(N2CCOCC2)cc1 ZINC001593334780 994917501 /nfs/dbraw/zinc/91/75/01/994917501.db2.gz ZWYBBDUVHVZWAM-CYBMUJFWSA-N -1 0 391.449 1.656 20 10 GDCDRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001598762851 995796874 /nfs/dbraw/zinc/79/68/74/995796874.db2.gz XHRONEWTWHLGGT-MAUKXSAKSA-N -1 0 376.453 1.486 20 10 GDCDRM COc1cc(N2CCN(c3nc(C)cc(C(=O)[O-])n3)CC2)cc(OC)c1OC ZINC001599428614 997719253 /nfs/dbraw/zinc/71/92/53/997719253.db2.gz MZKRTYYDSYBAJX-UHFFFAOYSA-N -1 0 388.424 1.836 20 10 GDCDRM CO[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC001599071408 999335581 /nfs/dbraw/zinc/33/55/81/999335581.db2.gz TXUTUHMJHVVELJ-LJQANCHMSA-N -1 0 395.431 1.172 20 10 GDCDRM Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000055596624 530710107 /nfs/dbraw/zinc/71/01/07/530710107.db2.gz CLNMOGWPCWTKCR-UHFFFAOYSA-N -1 0 384.464 1.448 20 10 GDCDRM NC(=O)[C@@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CCO1 ZINC000179940399 530753466 /nfs/dbraw/zinc/75/34/66/530753466.db2.gz MPNLAULNXRPMET-JTQLQIEISA-N -1 0 394.063 1.603 20 10 GDCDRM Cc1nc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)cn1C ZINC000110631756 530868698 /nfs/dbraw/zinc/86/86/98/530868698.db2.gz SUYLGJOYRNOHFK-UHFFFAOYSA-N -1 0 378.863 1.554 20 10 GDCDRM O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)N1CCC[C@@H]1CO ZINC000271499293 532020170 /nfs/dbraw/zinc/02/01/70/532020170.db2.gz YQFIRGUCQZOZKE-GFCCVEGCSA-N -1 0 382.463 1.851 20 10 GDCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cc2n(n1)CCCC2 ZINC000377218791 532249024 /nfs/dbraw/zinc/24/90/24/532249024.db2.gz XUYYWMCECIXPFT-UHFFFAOYSA-N -1 0 383.235 2.487 20 10 GDCDRM COc1cccc(CNC(=O)CCc2c(C)[nH]c(=O)c(-c3nnn[n-]3)c2C)c1O ZINC000737132138 598510780 /nfs/dbraw/zinc/51/07/80/598510780.db2.gz WPVHTLJCQYXOIO-UHFFFAOYSA-N -1 0 398.423 1.547 20 10 GDCDRM COC(=O)CN(CC(=O)N1CCC(C(=O)[O-])CC1)Cc1cc(Cl)ccc1O ZINC000737604342 600144176 /nfs/dbraw/zinc/14/41/76/600144176.db2.gz JQCYNKPJVBGAGP-UHFFFAOYSA-N -1 0 398.843 1.344 20 10 GDCDRM O=C([O-])NCCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000739948826 600201899 /nfs/dbraw/zinc/20/18/99/600201899.db2.gz OPCGDRMPJNYJHW-UHFFFAOYSA-N -1 0 396.355 1.601 20 10 GDCDRM C[C@H]1CN(c2ccc(CNS(=O)(=O)CCCC(=O)[O-])cc2F)C[C@H](C)O1 ZINC000736826659 600494188 /nfs/dbraw/zinc/49/41/88/600494188.db2.gz QZSRVFSXOSYPSV-STQMWFEESA-N -1 0 388.461 1.724 20 10 GDCDRM CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000830831249 600696550 /nfs/dbraw/zinc/69/65/50/600696550.db2.gz VSDPQHZLTXKADL-UHFFFAOYSA-N -1 0 392.481 1.779 20 10 GDCDRM Cc1cc(CCNS(=O)(=O)N(C)CCC(=O)[O-])c(C)n1-c1ccccc1 ZINC000832881774 601254061 /nfs/dbraw/zinc/25/40/61/601254061.db2.gz MTJCZCURXJDDFF-UHFFFAOYSA-N -1 0 379.482 1.878 20 10 GDCDRM C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000828361097 601810473 /nfs/dbraw/zinc/81/04/73/601810473.db2.gz FZFZQKWKALBAQD-DOMZBBRYSA-N -1 0 379.432 1.649 20 10 GDCDRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000738621111 602123287 /nfs/dbraw/zinc/12/32/87/602123287.db2.gz OSPONBWRWJZSHQ-UHFFFAOYSA-N -1 0 397.431 1.405 20 10 GDCDRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000739237360 602131114 /nfs/dbraw/zinc/13/11/14/602131114.db2.gz LIWJCNNQLUOXAT-XJKSGUPXSA-N -1 0 397.497 1.220 20 10 GDCDRM O=C([O-])/C=C\c1ccc(N2CCO[C@H](CNc3cccnn3)C2)c([N+](=O)[O-])c1 ZINC000833196500 602324070 /nfs/dbraw/zinc/32/40/70/602324070.db2.gz VPNUQWARNLAOHK-KXQLTZBTSA-N -1 0 385.380 1.800 20 10 GDCDRM COc1ccc(O)c([C@@H](C)NC(=O)NCCCN2CCN(C(=O)[O-])CC2)c1 ZINC000739925308 602417089 /nfs/dbraw/zinc/41/70/89/602417089.db2.gz KURFWNWUMQUIRX-CYBMUJFWSA-N -1 0 380.445 1.447 20 10 GDCDRM NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCCN3C(=O)[O-])cc2)C1 ZINC000740328772 602503785 /nfs/dbraw/zinc/50/37/85/602503785.db2.gz SUYDMWRXUHQSPC-WBVHZDCISA-N -1 0 388.468 1.537 20 10 GDCDRM CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H]1CCCCN1C(=O)[O-])cc2=O ZINC000739482516 602553563 /nfs/dbraw/zinc/55/35/63/602553563.db2.gz VBJOYRXHYQRVEA-GFCCVEGCSA-N -1 0 392.368 1.187 20 10 GDCDRM COc1ccc(N2CCN(CCNC(=O)N(C)[C@@H](C)CNC(=O)[O-])CC2)cc1 ZINC000739911050 602623624 /nfs/dbraw/zinc/62/36/24/602623624.db2.gz WHQSKNOTXOYUTO-HNNXBMFYSA-N -1 0 393.488 1.115 20 10 GDCDRM O=C([O-])N1CC[C@@H](CCNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000740428285 602706069 /nfs/dbraw/zinc/70/60/69/602706069.db2.gz PQMUGUMIOCOMBQ-MRXNPFEDSA-N -1 0 376.457 1.712 20 10 GDCDRM C[C@H](NC(=O)N1CCN(C(=O)[O-])C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000738987997 602748239 /nfs/dbraw/zinc/74/82/39/602748239.db2.gz RRDNAAPMLZNFNL-CABCVRRESA-N -1 0 376.457 1.978 20 10 GDCDRM C[C@H](NC(=O)c1ccoc1)C(=O)NC[C@H](NC(=O)[O-])c1ccc(N(C)C)cc1 ZINC000825465376 603025297 /nfs/dbraw/zinc/02/52/97/603025297.db2.gz KEPYPDFIHANCJH-LRDDRELGSA-N -1 0 388.424 1.589 20 10 GDCDRM CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2cccs2)NC(=O)[O-])cc1 ZINC000828064135 603031047 /nfs/dbraw/zinc/03/10/47/603031047.db2.gz LXLJBUHJSJKLRB-CQSZACIVSA-N -1 0 390.465 1.669 20 10 GDCDRM Cc1cc(NC(=O)C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)no1 ZINC000830089712 603034804 /nfs/dbraw/zinc/03/48/04/603034804.db2.gz LUSXPTBMMWGQCW-ZDUSSCGKSA-N -1 0 375.385 1.113 20 10 GDCDRM NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C[C@@H]3CCCN3C(=O)[O-])cc2)C1 ZINC000831177883 603375595 /nfs/dbraw/zinc/37/55/95/603375595.db2.gz CJLLVKGXLMBYJD-RDJZCZTQSA-N -1 0 388.468 1.537 20 10 GDCDRM COc1ccc(N2CCCN(C(=O)CN(C[C@H]3CCCO3)C(=O)[O-])CC2)cc1 ZINC000739911052 603399233 /nfs/dbraw/zinc/39/92/33/603399233.db2.gz WLUVBMMXLGEKRB-GOSISDBHSA-N -1 0 391.468 1.893 20 10 GDCDRM C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCN1C(=O)[O-] ZINC000826007239 603713030 /nfs/dbraw/zinc/71/30/30/603713030.db2.gz FEAQDKRGFNIPQQ-CYBMUJFWSA-N -1 0 380.420 1.556 20 10 GDCDRM COc1ccc(N2CCN(C(=O)CN(C)C3(C(=O)[O-])CCCC3)CC2)cc1 ZINC000832383482 604459731 /nfs/dbraw/zinc/45/97/31/604459731.db2.gz IJETUBGMPXZKIJ-UHFFFAOYSA-N -1 0 375.469 1.673 20 10 GDCDRM CN(C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCO1)c1cccnn1 ZINC000830723334 604463035 /nfs/dbraw/zinc/46/30/35/604463035.db2.gz UJNNQIFGFJNFHL-ZQMJAJRESA-N -1 0 399.407 1.824 20 10 GDCDRM COc1ccc(N2CCN(C(=O)CO[C@@H]3CCCN(C(=O)[O-])C3)CC2)cc1 ZINC000829424914 605237564 /nfs/dbraw/zinc/23/75/64/605237564.db2.gz UYMHJLQNCYAOSG-QGZVFWFLSA-N -1 0 377.441 1.503 20 10 GDCDRM O=C([O-])N1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000739441410 605645858 /nfs/dbraw/zinc/64/58/58/605645858.db2.gz BPHJWCGOEMISJF-AWEZNQCLSA-N -1 0 380.420 1.604 20 10 GDCDRM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)ccc1O ZINC000823387801 606866432 /nfs/dbraw/zinc/86/64/32/606866432.db2.gz YNRDDODLBYVDJB-UHFFFAOYSA-N -1 0 379.329 1.210 20 10 GDCDRM O=C(N[C@@H](CO)C1CC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000771042421 654528057 /nfs/dbraw/zinc/52/80/57/654528057.db2.gz YBWNLFJYTAXZHX-ZDUSSCGKSA-N -1 0 382.463 1.755 20 10 GDCDRM C[S@](=O)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000751060339 654870086 /nfs/dbraw/zinc/87/00/86/654870086.db2.gz CBQNODIQNOFYPZ-QHCPKHFHSA-N -1 0 388.492 1.363 20 10 GDCDRM O=C(NCc1cn[nH]n1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000751071511 654871330 /nfs/dbraw/zinc/87/13/30/654871330.db2.gz VHMYSTVEYOHERS-UHFFFAOYSA-N -1 0 379.423 1.303 20 10 GDCDRM CS(=O)(=O)Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000765102228 655230041 /nfs/dbraw/zinc/23/00/41/655230041.db2.gz RNKPHMXSMMHLAO-UHFFFAOYSA-N -1 0 385.398 1.707 20 10 GDCDRM O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)N1CC[C@H](CO)C1 ZINC000765240920 655236507 /nfs/dbraw/zinc/23/65/07/655236507.db2.gz GGPGLRCTULKLCA-NSHDSACASA-N -1 0 382.463 1.709 20 10 GDCDRM NS(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])nc1 ZINC000813684190 655241619 /nfs/dbraw/zinc/24/16/19/655241619.db2.gz MCZJKJRVWNZJTP-UHFFFAOYSA-N -1 0 376.221 1.671 20 10 GDCDRM CNS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2F)cc1 ZINC000797431783 655242293 /nfs/dbraw/zinc/24/22/93/655242293.db2.gz YLYXDKVTZLCGTA-UHFFFAOYSA-N -1 0 389.430 1.511 20 10 GDCDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)n1C ZINC000863400495 655868361 /nfs/dbraw/zinc/86/83/61/655868361.db2.gz OSGCXGLZZNNUJZ-UHFFFAOYSA-N -1 0 378.863 1.554 20 10 GDCDRM O=C1NCCn2c(CNCc3cc(Cl)cc(Br)c3[O-])nnc21 ZINC000883293988 657280073 /nfs/dbraw/zinc/28/00/73/657280073.db2.gz MKQGMXXLWUOMKS-UHFFFAOYSA-N -1 0 386.637 1.433 20 10 GDCDRM COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894555489 658580364 /nfs/dbraw/zinc/58/03/64/658580364.db2.gz IKZDWPLYCCGKPU-AWEZNQCLSA-N -1 0 378.441 1.543 20 10 GDCDRM CNC(=O)NC[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC000895391221 658692823 /nfs/dbraw/zinc/69/28/23/658692823.db2.gz VEGANQYPQRYPOR-LLVKDONJSA-N -1 0 392.681 1.938 20 10 GDCDRM CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908460152 659919843 /nfs/dbraw/zinc/91/98/43/659919843.db2.gz NGNLWADEKDFGFI-MRXNPFEDSA-N -1 0 390.575 1.698 20 10 GDCDRM C[C@H](NC(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1)c1ccc(N2CCOCC2)cc1 ZINC000797714002 939174110 /nfs/dbraw/zinc/17/41/10/939174110.db2.gz BSXDFWNHWGPWQD-LESCRADOSA-N -1 0 391.468 1.763 20 10 GDCDRM Cc1ccc(C)n1-c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])cc1 ZINC001574361037 961026546 /nfs/dbraw/zinc/02/65/46/961026546.db2.gz JAUINYUDBRQJSR-INIZCTEOSA-N -1 0 376.434 1.418 20 10 GDCDRM CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001573896495 961399670 /nfs/dbraw/zinc/39/96/70/961399670.db2.gz NSLZGYQFVSHEFU-LSDHHAIUSA-N -1 0 379.409 1.554 20 10 GDCDRM CC[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC001573943182 961624084 /nfs/dbraw/zinc/62/40/84/961624084.db2.gz GWPIVCBFODHCHV-ZDUSSCGKSA-N -1 0 382.328 1.963 20 10 GDCDRM CCOc1ccc(N2CCN(S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001597112002 986773505 /nfs/dbraw/zinc/77/35/05/986773505.db2.gz PDERKEUJNGVDFL-UHFFFAOYSA-N -1 0 380.422 1.887 20 10 GDCDRM C[C@@H]1C[C@H](C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)O[C@H]1C(=O)[O-] ZINC001599874903 989406593 /nfs/dbraw/zinc/40/65/93/989406593.db2.gz BWUQMXPSBGBFJH-QSGSBWRWSA-N -1 0 384.379 1.296 20 10 GDCDRM CS(=O)(=O)[C@H]1C[C@]1(C[NH2+]Cc1cccc(Br)c1[O-])C(=O)[O-] ZINC001599763658 992156071 /nfs/dbraw/zinc/15/60/71/992156071.db2.gz PDTCJBJQQNQXOQ-GXFFZTMASA-N -1 0 378.244 1.132 20 10 GDCDRM 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