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CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N(CCC(=O)[O-])C2CC2)o1 ZINC000675967688 885841147 /nfs/dbraw/zinc/84/11/47/885841147.db2.gz NOTIUCXUJBHYCY-UHFFFAOYSA-N -2 1 358.416 1.436 20 0 FDADML Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656231770 891564322 /nfs/dbraw/zinc/56/43/22/891564322.db2.gz OLCNOXNIUSPCAH-LEWSCRJBSA-N -2 1 374.441 1.846 20 0 FDADML Cc1cc(C(=O)N(Cc2ccncc2)C2CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000265804834 894208506 /nfs/dbraw/zinc/20/85/06/894208506.db2.gz LARXGYKCSMLKPO-UHFFFAOYSA-N -2 1 351.366 1.944 20 0 FDADML Cc1cc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000073037262 901103235 /nfs/dbraw/zinc/10/32/35/901103235.db2.gz QJWOFPYZIXKXAU-LBPRGKRZSA-N -2 1 370.413 1.373 20 0 FDADML Cc1cc(C(=O)N[C@@H](C)[C@@H](O)c2cccc(F)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000771726766 930873131 /nfs/dbraw/zinc/87/31/31/930873131.db2.gz HYEPFLVOJSMRRQ-LKFCYVNXSA-N -2 1 372.356 1.735 20 0 FDADML 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363.399 1.670 20 0 FDADML Cc1cc(C(=O)NC2(CNC(=O)[O-])CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000740055792 603098645 /nfs/dbraw/zinc/09/86/45/603098645.db2.gz AAQKUHYYTNVEKB-UHFFFAOYSA-N -3 1 361.358 1.055 20 0 FDADML CSCC[C@@H](NC(=O)[O-])C(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000740018890 603120406 /nfs/dbraw/zinc/12/04/06/603120406.db2.gz UTEHACBLHFVCBW-LLVKDONJSA-N -2 1 367.431 1.057 20 0 FDADML CN(CCCNC(=O)[O-])C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000739674434 603187138 /nfs/dbraw/zinc/18/71/38/603187138.db2.gz HPXMXGPIAMSNDY-UHFFFAOYSA-N -2 1 361.420 1.086 20 0 FDADML Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000738838443 603215294 /nfs/dbraw/zinc/21/52/94/603215294.db2.gz VRQYMVXZQXWVLB-ZDUSSCGKSA-N -2 1 371.397 1.354 20 0 FDADML COc1ccc(NC(=O)N(C)CCCNC(=O)[O-])cc1[N-]S(C)(=O)=O ZINC000829461071 603554486 /nfs/dbraw/zinc/55/44/86/603554486.db2.gz TZKKGPPUPQWIQC-UHFFFAOYSA-N -2 1 374.419 1.188 20 0 FDADML CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)NC(=O)[O-])o1 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FDADML C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820570776 606178366 /nfs/dbraw/zinc/17/83/66/606178366.db2.gz RDMGJPVBPDMJDM-VIFPVBQESA-N -2 1 363.424 1.749 20 0 FDADML C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820570776 606178368 /nfs/dbraw/zinc/17/83/68/606178368.db2.gz RDMGJPVBPDMJDM-VIFPVBQESA-N -2 1 363.424 1.749 20 0 FDADML C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820570775 606178384 /nfs/dbraw/zinc/17/83/84/606178384.db2.gz RDMGJPVBPDMJDM-SECBINFHSA-N -2 1 363.424 1.749 20 0 FDADML C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820570775 606178385 /nfs/dbraw/zinc/17/83/85/606178385.db2.gz RDMGJPVBPDMJDM-SECBINFHSA-N -2 1 363.424 1.749 20 0 FDADML CC(C)Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)cc1 ZINC000820107715 606708815 /nfs/dbraw/zinc/70/88/15/606708815.db2.gz AKSRBJLZRLZSTM-UHFFFAOYSA-N -2 1 361.431 1.600 20 0 FDADML Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)C=Cc2ccccc2Cl)n1 ZINC000822619798 606711194 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MGGTZYMOIMXFCC-UHFFFAOYSA-N -2 1 353.278 1.209 20 0 FDADML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1C(=O)[O-] ZINC000547868964 542469688 /nfs/dbraw/zinc/46/96/88/542469688.db2.gz CIWBGBFJKSROIS-UHFFFAOYSA-N -3 1 363.347 1.914 20 0 FDADML CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])o1 ZINC000548541540 542696255 /nfs/dbraw/zinc/69/62/55/542696255.db2.gz DVRDEDIXHREAIQ-NHYWBVRUSA-N -2 1 359.400 1.768 20 0 FDADML O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C1CCOCC1 ZINC000548596164 542714927 /nfs/dbraw/zinc/71/49/27/542714927.db2.gz IJDURRRONYEDSF-JTQLQIEISA-N -2 1 367.345 1.652 20 0 FDADML Cn1cc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c(C(F)(F)F)n1 ZINC000556702331 544179345 /nfs/dbraw/zinc/17/93/45/544179345.db2.gz BMIHDNJMRMVJOZ-QMMMGPOBSA-N -2 1 355.338 1.361 20 0 FDADML CCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCO3)cc1C(=O)[O-] ZINC000373899841 261050908 /nfs/dbraw/zinc/05/09/08/261050908.db2.gz ZDYJQJSLKUPCJQ-UHFFFAOYSA-N -2 1 364.379 1.972 20 0 FDADML O=C([O-])CC[C@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)[O-] ZINC000048440706 522735698 /nfs/dbraw/zinc/73/56/98/522735698.db2.gz USRKNHCOCRFMQK-LURJTMIESA-N -3 1 372.218 1.107 20 0 FDADML Cc1cc(C(=O)NC[C@H]2CCc3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174780981 524735754 /nfs/dbraw/zinc/73/57/54/524735754.db2.gz XCGNHINMOXEGCS-GFCCVEGCSA-N -2 1 350.378 1.792 20 0 FDADML CC[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)c1nc(C)cs1 ZINC000155914803 526006402 /nfs/dbraw/zinc/00/64/02/526006402.db2.gz CDQIJACUMNFILP-SECBINFHSA-N -2 1 359.411 1.978 20 0 FDADML CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc(F)c(F)cc2F)s1 ZINC000120598429 526120272 /nfs/dbraw/zinc/12/02/72/526120272.db2.gz XPAXRPDYDGVLSN-UHFFFAOYSA-N -2 1 352.319 1.579 20 0 FDADML COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000276143446 537299655 /nfs/dbraw/zinc/29/96/55/537299655.db2.gz FHNVJNRXDCKUOG-NRUUGDAUSA-N -2 1 372.381 1.158 20 0 FDADML CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-n2nn[n-]c2=O)cc1 ZINC000195505527 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373.394 1.685 20 0 FDADML Cn1c(=O)oc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)ccc21 ZINC000489695754 538835957 /nfs/dbraw/zinc/83/59/57/538835957.db2.gz DOLUPMXJDKCDMJ-UHFFFAOYSA-N -2 1 366.326 1.770 20 0 FDADML COc1cc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)ccc1[N-]S(C)(=O)=O ZINC000498617384 538849684 /nfs/dbraw/zinc/84/96/84/538849684.db2.gz OZFDNSUFOHDMPX-QWRGUYRKSA-N -2 1 370.427 1.896 20 0 FDADML COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F ZINC000561384700 545829239 /nfs/dbraw/zinc/82/92/39/545829239.db2.gz CGJIOUKZZKFJDW-ZETCQYMHSA-N -2 1 369.317 1.247 20 0 FDADML Cc1cc(C(=O)N[C@@H]2c3ccccc3O[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000561385743 545829503 /nfs/dbraw/zinc/82/95/03/545829503.db2.gz YHBGDDLFJWIGDU-XPTSAGLGSA-N -2 1 352.350 1.996 20 0 FDADML CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)C(=O)[O-] ZINC000563148704 546424859 /nfs/dbraw/zinc/42/48/59/546424859.db2.gz YOXWHYWJOYUJKE-VIFPVBQESA-N -2 1 357.354 1.607 20 0 FDADML C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCCC2)o1 ZINC000563718012 546659357 /nfs/dbraw/zinc/65/93/57/546659357.db2.gz UGTOGZLTJHRWIO-LLVKDONJSA-N -2 1 358.416 1.341 20 0 FDADML O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)c1 ZINC000567531030 548152079 /nfs/dbraw/zinc/15/20/79/548152079.db2.gz YRONINDZDPOAGX-UHFFFAOYSA-N -2 1 359.367 1.090 20 0 FDADML C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000569082194 548788894 /nfs/dbraw/zinc/78/88/94/548788894.db2.gz ODXJTRBTYCBHDH-IUCAKERBSA-N -2 1 371.381 1.997 20 0 FDADML O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)[C@H](O)Cc1ccccc1 ZINC000571388040 549626478 /nfs/dbraw/zinc/62/64/78/549626478.db2.gz MSCZSQGAXDFKIL-IUODEOHRSA-N -2 1 371.361 1.300 20 0 FDADML COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)o1 ZINC000572343526 549893478 /nfs/dbraw/zinc/89/34/78/549893478.db2.gz IEPNVBZGWPNCGF-NWDGAFQWSA-N -2 1 365.363 1.658 20 0 FDADML COc1cccc([C@](C)(CC(=O)[O-])NS(=O)(=O)c2c(C)o[n-]c2=N)c1 ZINC000572875556 550015979 /nfs/dbraw/zinc/01/59/79/550015979.db2.gz OFNKKJADOYIOLG-HNNXBMFYSA-N -2 1 369.399 1.242 20 0 FDADML COC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)[O-] ZINC000575992890 550499463 /nfs/dbraw/zinc/49/94/63/550499463.db2.gz NXKBSKGTJRUFKW-MRVPVSSYSA-N -2 1 374.173 1.427 20 0 FDADML COc1ccccc1N(CCC(=O)[O-])S(=O)(=O)c1c(C)o[n-]c1=N ZINC000577854089 550702024 /nfs/dbraw/zinc/70/20/24/550702024.db2.gz CGGZRWZLLJRCHH-UHFFFAOYSA-N -2 1 355.372 1.244 20 0 FDADML Cc1o[n-]c(=N)c1S(=O)(=O)N1CCc2c(C)cccc2[C@H]1C(=O)[O-] ZINC000578073844 550725614 /nfs/dbraw/zinc/72/56/14/550725614.db2.gz AXPYXXKLVZPYNC-LBPRGKRZSA-N -2 1 351.384 1.246 20 0 FDADML COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)s1 ZINC000580481283 550986931 /nfs/dbraw/zinc/98/69/31/550986931.db2.gz XNMJMBISKUCNMC-ZCFIWIBFSA-N -2 1 357.356 1.169 20 0 FDADML C[N-]S(=O)(=O)c1ccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)o1 ZINC000590411184 551781513 /nfs/dbraw/zinc/78/15/13/551781513.db2.gz YEFDNNZEAGCBCV-UHFFFAOYSA-N -2 1 366.395 1.305 20 0 FDADML COC(=O)c1oc(S(=O)(=O)[N-][C@@H](C)c2nc(C(=O)[O-])cs2)cc1C ZINC000596033522 552646909 /nfs/dbraw/zinc/64/69/09/552646909.db2.gz IHJKXFITIXLGMK-ZETCQYMHSA-N -2 1 374.396 1.569 20 0 FDADML COC(=O)[C@@]1(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC[C@@H](C)CC1 ZINC000598101683 552864326 /nfs/dbraw/zinc/86/43/26/552864326.db2.gz GCKKGBNIOCALIO-FHJMQQSKSA-N -2 1 374.397 1.596 20 0 FDADML CC(C)(C(N)=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000606825589 554093369 /nfs/dbraw/zinc/09/33/69/554093369.db2.gz UXXRYASIRGSXPL-UHFFFAOYSA-N -2 1 351.384 1.277 20 0 FDADML Cn1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1C(=O)[O-] ZINC000609658375 554408662 /nfs/dbraw/zinc/40/86/62/554408662.db2.gz OAYWGAGATCDPIN-QFIPXVFZSA-N -2 1 356.425 1.403 20 0 FDADML CCC[C@H](NC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])c1nn[n-]n1 ZINC000612062578 554729340 /nfs/dbraw/zinc/72/93/40/554729340.db2.gz WASAOEPHLGDHPZ-JTQLQIEISA-N -2 1 363.328 1.640 20 0 FDADML C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)o1 ZINC000630266194 557893333 /nfs/dbraw/zinc/89/33/33/557893333.db2.gz ZFWZCKOEFBQOEN-LLVKDONJSA-N -2 1 358.416 1.199 20 0 FDADML Cc1cccc([N-]S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1C(=O)[O-] ZINC000737399949 599198430 /nfs/dbraw/zinc/19/84/30/599198430.db2.gz QACCLIYBEQHFCY-UHFFFAOYSA-N -2 1 359.367 1.674 20 0 FDADML CC(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(=O)[O-] ZINC000428087152 597067162 /nfs/dbraw/zinc/06/71/62/597067162.db2.gz CTYOEJVZCZLAHD-JTQLQIEISA-N -2 1 360.432 1.586 20 0 FDADML CC[C@](C)(NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(=O)[O-] ZINC000736861792 599701003 /nfs/dbraw/zinc/70/10/03/599701003.db2.gz QDNHZDGICQSKIB-SFHVURJKSA-N -2 1 358.398 1.855 20 0 FDADML CN(C[C@@H]1CCCOC1)C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1 ZINC000737413252 599762205 /nfs/dbraw/zinc/76/22/05/599762205.db2.gz JUPNKGDWCIRJTA-ZDUSSCGKSA-N -2 1 373.409 1.291 20 0 FDADML COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2)o1 ZINC000737699468 599767991 /nfs/dbraw/zinc/76/79/91/599767991.db2.gz CKHZIMPJEPBLPC-NSHDSACASA-N -2 1 353.352 1.561 20 0 FDADML O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cc1 ZINC000467760092 599825885 /nfs/dbraw/zinc/82/58/85/599825885.db2.gz ROWHFPPGKVDXPB-UHFFFAOYSA-N -2 1 367.335 1.355 20 0 FDADML CN(CC(=O)[O-])C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000485480917 599852141 /nfs/dbraw/zinc/85/21/41/599852141.db2.gz ZMRFKQQFUVUKNP-UHFFFAOYSA-N -2 1 366.370 1.783 20 0 FDADML C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc2NC1=O ZINC000736832767 599878092 /nfs/dbraw/zinc/87/80/92/599878092.db2.gz BGVOBMAPWYEPGR-SECBINFHSA-N -2 1 362.363 1.905 20 0 FDADML Cc1cc2cn[nH]c2c(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000738332946 599905610 /nfs/dbraw/zinc/90/56/10/599905610.db2.gz SYRCTQVZQCUTBD-UHFFFAOYSA-N -2 1 365.392 1.750 20 0 FDADML Cc1cccc(C[C@H](CNC(=O)c2n[n-]c3ccccc3c2=O)C(=O)[O-])c1 ZINC000237704729 600362737 /nfs/dbraw/zinc/36/27/37/600362737.db2.gz VKFGDBDGXGDRDU-CQSZACIVSA-N -2 1 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