smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC001603068151 972132210 /nfs/dbraw/zinc/13/22/10/972132210.db2.gz HEPGTUWSEPDOGV-LJQANCHMSA-N 0 1 385.464 1.720 20 10 GDCDMN COC1CCN(c2ccc(C[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-])cc2)CC1 ZINC001593951752 956396015 /nfs/dbraw/zinc/39/60/15/956396015.db2.gz XEMYDUIQRQVELS-HNNXBMFYSA-N 0 1 377.485 1.713 20 10 GDCDMN COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(C(=O)[O-])nc3)CC2)cc1 ZINC000846702052 979461465 /nfs/dbraw/zinc/46/14/65/979461465.db2.gz ATYJWGIDDQDAFT-UHFFFAOYSA-N 0 1 384.436 1.340 20 10 GDCDMN C[C@@H](CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C(=O)[O-] ZINC001592806425 979469666 /nfs/dbraw/zinc/46/96/66/979469666.db2.gz HHBFHZKUHYUNKD-SMDDNHRTSA-N 0 1 390.889 1.650 20 10 GDCDMN C[C@@H](CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(=O)[O-] ZINC001592806425 979469669 /nfs/dbraw/zinc/46/96/69/979469669.db2.gz HHBFHZKUHYUNKD-SMDDNHRTSA-N 0 1 390.889 1.650 20 10 GDCDMN COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]([C@@H](C)C(=O)[O-])C3CCC3)CC2)cc1 ZINC000851707637 979576574 /nfs/dbraw/zinc/57/65/74/979576574.db2.gz HOQUWDTXXTYIHJ-QFBILLFUSA-N 0 1 391.512 1.506 20 10 GDCDMN O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])CCO2 ZINC000272119633 532078796 /nfs/dbraw/zinc/07/87/96/532078796.db2.gz ZIPOUHLOFCRSDS-HIFRSBDPSA-N 0 1 390.299 1.981 20 10 GDCDMN CC[C@H](C)[C@H](NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000828709311 601858343 /nfs/dbraw/zinc/85/83/43/601858343.db2.gz QVWVJJRQIQWULI-KXBFYZLASA-N 0 1 377.485 1.571 20 10 GDCDMN CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000828709311 601858345 /nfs/dbraw/zinc/85/83/45/601858345.db2.gz QVWVJJRQIQWULI-KXBFYZLASA-N 0 1 377.485 1.571 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](C)[C@H]1CNC(=O)[O-])cc2=O ZINC000827355726 603730496 /nfs/dbraw/zinc/73/04/96/603730496.db2.gz KLOVWQKXGSNQKP-SMDDNHRTSA-N 0 1 391.428 1.480 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](C)[C@H]1CNC(=O)[O-])cc2=O ZINC000827355715 603730794 /nfs/dbraw/zinc/73/07/94/603730794.db2.gz KLOVWQKXGSNQKP-BXUZGUMPSA-N 0 1 391.428 1.480 20 10 GDCDMN COc1ccc(N2CC[NH+](CCNC(=O)NCC(C)(C)NC(=O)[O-])CC2)cc1 ZINC000829425298 604076279 /nfs/dbraw/zinc/07/62/79/604076279.db2.gz ZMJUHUOJDIKRQJ-UHFFFAOYSA-N 0 1 393.488 1.163 20 10 GDCDMN COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3CN(C)C(=O)[O-])CC2)cc1 ZINC000829423366 604100159 /nfs/dbraw/zinc/10/01/59/604100159.db2.gz FJZNONYWLHQISA-QGZVFWFLSA-N 0 1 390.484 1.418 20 10 GDCDMN COc1ccc(N2CC[NH+](CCNC(=O)NC(C)(C)CNC(=O)[O-])CC2)cc1 ZINC000829423466 605589004 /nfs/dbraw/zinc/58/90/04/605589004.db2.gz GYTMUHISNULQGW-UHFFFAOYSA-N 0 1 393.488 1.163 20 10 GDCDMN O=S1(=O)CC[C@@H](N2CCN(Cc3cccc(Br)c3O)CC2)C1 ZINC000179730833 644936845 /nfs/dbraw/zinc/93/68/45/644936845.db2.gz MIDZGGMEZZEJLE-CYBMUJFWSA-N 0 1 389.315 1.459 20 10 GDCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000775286794 654663874 /nfs/dbraw/zinc/66/38/74/654663874.db2.gz OBWFJSMGRBBFJB-UHFFFAOYSA-N 0 1 385.419 1.383 20 10 GDCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000790409388 655048407 /nfs/dbraw/zinc/04/84/07/655048407.db2.gz PKTLDAGBIYEZRL-UHFFFAOYSA-N 0 1 383.447 1.922 20 10 GDCDMN C[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cc(Br)ccc1[O-] ZINC000840897003 655301993 /nfs/dbraw/zinc/30/19/93/655301993.db2.gz PSMFGDOTNCHRBV-SNVBAGLBSA-N 0 1 382.262 1.976 20 10 GDCDMN CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1c([O-])cccc1Br ZINC000858222995 655746019 /nfs/dbraw/zinc/74/60/19/655746019.db2.gz HCMSLBCUCVIJMA-KRWDZBQOSA-N 0 1 385.302 1.860 20 10 GDCDMN CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000862550186 655847274 /nfs/dbraw/zinc/84/72/74/655847274.db2.gz CGQYHPCZLMRLCH-JTQLQIEISA-N 0 1 377.850 1.715 20 10 GDCDMN C[N@H+](Cc1cc(Br)cc(F)c1[O-])C[C@@H](O)CN1CCOCC1 ZINC000894043736 658498980 /nfs/dbraw/zinc/49/89/80/658498980.db2.gz RSJMLYCDPZARBG-CYBMUJFWSA-N 0 1 377.254 1.419 20 10 GDCDMN [O-]c1c(Br)cc(Br)cc1CN1CCNCC[NH2+]CC1 ZINC000904396996 659399873 /nfs/dbraw/zinc/39/98/73/659399873.db2.gz VBKWYEQXQAWEPN-UHFFFAOYSA-N 0 1 393.123 1.912 20 10 GDCDMN CN(C)c1ccc([C@H](CNS(=O)(=O)c2cn(C)c(Cl)n2)N(C)C)cc1 ZINC000908458494 659910162 /nfs/dbraw/zinc/91/01/62/659910162.db2.gz WWHHMAFQLBDLPS-AWEZNQCLSA-N 0 1 385.921 1.721 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]31)cc2=O ZINC001603818794 974299089 /nfs/dbraw/zinc/29/90/89/974299089.db2.gz KDGZPIUAKWONMR-CQDKDKBSSA-N 0 1 388.424 1.829 20 10 GDCDMN COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CCC[C@@H]3CC(=O)[O-])CC2)cc1 ZINC000846273649 979439904 /nfs/dbraw/zinc/43/99/04/979439904.db2.gz AFWOQVHYYHKIQT-QZTJIDSGSA-N 0 1 377.485 1.117 20 10 GDCDMN CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3cncc(C(=O)[O-])c3)c2)CC1 ZINC001596442628 984138914 /nfs/dbraw/zinc/13/89/14/984138914.db2.gz ZKNGWJFKUWAAFV-UHFFFAOYSA-N 0 1 390.465 1.723 20 10 GDCDMN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])C1 ZINC001591634561 992941666 /nfs/dbraw/zinc/94/16/66/992941666.db2.gz ACAKTEDHKMFXOQ-KUHUBIRLSA-N 0 1 385.464 1.454 20 10 GDCDMN COc1ccc(N2CC[C@H](CNC(=O)N3CC[N@@H+](C)C[C@H](C(=O)[O-])C3)C2)cc1 ZINC001599586147 993616378 /nfs/dbraw/zinc/61/63/78/993616378.db2.gz MAGNWKICJCGCRO-CVEARBPZSA-N 0 1 390.484 1.179 20 10 GDCDMN O=C(CN1CSCC1=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000363709660 531503244 /nfs/dbraw/zinc/50/32/44/531503244.db2.gz MMKCFKBJWZVQDJ-CQSZACIVSA-N 0 1 383.901 1.659 20 10 GDCDMN COc1ccc(N2CC[NH+](CCNC(=O)CC3(NC(=O)[O-])CCC3)CC2)cc1 ZINC000829424988 604128424 /nfs/dbraw/zinc/12/84/24/604128424.db2.gz WWLYSPHOLMOVTE-UHFFFAOYSA-N 0 1 390.484 1.514 20 10 GDCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)c1O ZINC000823627572 604224133 /nfs/dbraw/zinc/22/41/33/604224133.db2.gz INIALEWTBSJHMJ-LBPRGKRZSA-N 0 1 381.404 1.330 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1)cc2=O ZINC000827354512 604226366 /nfs/dbraw/zinc/22/63/66/604226366.db2.gz BXUIJSXZXFTVSY-NWDGAFQWSA-N 0 1 391.428 1.480 20 10 GDCDMN COc1cc(O)c(C[N@H+]2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)cc1OC ZINC000833888154 605500838 /nfs/dbraw/zinc/50/08/38/605500838.db2.gz VOBSFOIJSMDDGF-GFCCVEGCSA-N 0 1 381.429 1.005 20 10 GDCDMN O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)C1=S=C(c2nn[nH]n2)C=C1 ZINC000823323696 606546440 /nfs/dbraw/zinc/54/64/40/606546440.db2.gz ZZJRVZDFCDDWMU-UHFFFAOYSA-N 0 1 389.347 1.822 20 10 GDCDMN Cc1cc(Br)cc(CN2CCN(C(=O)N3CCNCC3)CC2)c1O ZINC000530244093 649968691 /nfs/dbraw/zinc/96/86/91/649968691.db2.gz WKYQNLQLCBMNLZ-UHFFFAOYSA-N 0 1 397.317 1.606 20 10 GDCDMN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000327535573 645269641 /nfs/dbraw/zinc/26/96/41/645269641.db2.gz POQYLCURSZZAFE-UHFFFAOYSA-N 0 1 384.435 1.646 20 10 GDCDMN CCS(=O)(=O)NCCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805134944 655028239 /nfs/dbraw/zinc/02/82/39/655028239.db2.gz CXCXSEFKXCJLBM-UHFFFAOYSA-N 0 1 391.298 1.058 20 10 GDCDMN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(C)onc2N)c(F)c1 ZINC000844664304 655412933 /nfs/dbraw/zinc/41/29/33/655412933.db2.gz QDWPDFBFPKFOFC-UHFFFAOYSA-N 0 1 392.434 1.657 20 10 GDCDMN C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cc(Br)ccc1[O-] ZINC000925797866 656721757 /nfs/dbraw/zinc/72/17/57/656721757.db2.gz QCJUZGMTNBPFIB-PWSUYJOCSA-N 0 1 377.304 1.582 20 10 GDCDMN C[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1ccc(Br)cc1[O-] ZINC000886699161 657682251 /nfs/dbraw/zinc/68/22/51/657682251.db2.gz VONGMFYSLDOYKL-JTQLQIEISA-N 0 1 392.257 1.789 20 10 GDCDMN CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cc(F)cc(F)c1O ZINC000895014936 658648844 /nfs/dbraw/zinc/64/88/44/658648844.db2.gz AYPDOQRWAPOPPC-CYBMUJFWSA-N 0 1 377.409 1.611 20 10 GDCDMN CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cnc(Cl)n2C)N(C)C)cc1 ZINC000908457571 659909881 /nfs/dbraw/zinc/90/98/81/659909881.db2.gz GAJHDVMKBPKLCM-CQSZACIVSA-N 0 1 385.921 1.721 20 10 GDCDMN O=C([O-])[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC001594854594 954215119 /nfs/dbraw/zinc/21/51/19/954215119.db2.gz OOGBADHXFZSCJY-RDTXWAMCSA-N 0 1 382.844 1.760 20 10 GDCDMN COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@H](C)C[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC000923247263 957106209 /nfs/dbraw/zinc/10/62/09/957106209.db2.gz FNEMCWFKVTZYGW-LMMKCTJWSA-N 0 1 391.512 1.221 20 10 GDCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C(=O)[O-])C1 ZINC001598801370 996141354 /nfs/dbraw/zinc/14/13/54/996141354.db2.gz BOBJIPDVTRZDAL-CRAIPNDOSA-N 0 1 376.453 1.486 20 10 GDCDMN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C(=O)[O-])C1 ZINC001598801373 996141365 /nfs/dbraw/zinc/14/13/65/996141365.db2.gz BOBJIPDVTRZDAL-YJBOKZPZSA-N 0 1 376.453 1.486 20 10 GDCDMN COc1cc(Br)cc(C[N@@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-])c1O ZINC000820755009 597705957 /nfs/dbraw/zinc/70/59/57/597705957.db2.gz PVASHOYGQCMKLB-VIFPVBQESA-N 0 1 389.246 1.575 20 10 GDCDMN CN(C)C(=O)CC[NH+]1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000830547533 602123831 /nfs/dbraw/zinc/12/38/31/602123831.db2.gz XGRIGQZSSMKKOW-UHFFFAOYSA-N 0 1 385.464 1.840 20 10 GDCDMN CN(Cc1ccccc1O)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000825981769 607626288 /nfs/dbraw/zinc/62/62/88/607626288.db2.gz XUIIXBAEPNTGGX-UHFFFAOYSA-N 0 1 390.381 1.301 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](C)[C@@H]1CNC(=O)[O-])cc2=O ZINC000827355719 603730258 /nfs/dbraw/zinc/73/02/58/603730258.db2.gz KLOVWQKXGSNQKP-FZMZJTMJSA-N 0 1 391.428 1.480 20 10 GDCDMN COc1ccc(N2CC[NH+](CCNC(=O)[C@]3(C)CCN(C(=O)[O-])C3)CC2)cc1 ZINC000829425220 603900705 /nfs/dbraw/zinc/90/07/05/603900705.db2.gz YOLMDYRLQGHVCM-HXUWFJFHSA-N 0 1 390.484 1.323 20 10 GDCDMN CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000529639968 649949986 /nfs/dbraw/zinc/94/99/86/649949986.db2.gz ALDUAVNNHOZITB-KRWDZBQOSA-N 0 1 385.302 1.860 20 10 GDCDMN CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000781909991 654820118 /nfs/dbraw/zinc/82/01/18/654820118.db2.gz SJLLTBRVQIBRED-GFCCVEGCSA-N 0 1 377.304 1.977 20 10 GDCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc3c2OCO3)cc1 ZINC000800833922 654896748 /nfs/dbraw/zinc/89/67/48/654896748.db2.gz QBGOQUXACGNQKZ-UHFFFAOYSA-N 0 1 384.435 1.978 20 10 GDCDMN CCS(=O)(=O)NCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805070842 655020514 /nfs/dbraw/zinc/02/05/14/655020514.db2.gz MYJJNPFVBZOPIE-UHFFFAOYSA-N 0 1 384.285 1.828 20 10 GDCDMN CC(C)(CNC(=O)NCc1cc(Cl)cc(Cl)c1O)NS(C)(=O)=O ZINC000805098103 655024451 /nfs/dbraw/zinc/02/44/51/655024451.db2.gz PBWOPJLZRFKXBB-UHFFFAOYSA-N 0 1 384.285 1.826 20 10 GDCDMN CNS(=O)(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1O ZINC000790408454 655048329 /nfs/dbraw/zinc/04/83/29/655048329.db2.gz ZYHZRRZUNIRTMT-UHFFFAOYSA-N 0 1 376.843 1.755 20 10 GDCDMN COC(=O)C1=S=c2nc(C(Cl)=Cc3cc(C)nn3C)[nH]c(=O)c2=C1C ZINC000841486651 655328032 /nfs/dbraw/zinc/32/80/32/655328032.db2.gz DGWLLWMCKBLISZ-POHAHGRESA-N 0 1 378.841 1.475 20 10 GDCDMN O=S(=O)(Cc1ccon1)NCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825325131 655487808 /nfs/dbraw/zinc/48/78/08/655487808.db2.gz AWHNDCMYHXRIQG-UHFFFAOYSA-N 0 1 390.259 1.352 20 10 GDCDMN O=S(=O)(CC[NH2+]Cc1c([O-])cccc1Br)N1CCSCC1 ZINC000858131126 655744823 /nfs/dbraw/zinc/74/48/23/655744823.db2.gz KWKMHEPUISXGBF-UHFFFAOYSA-N 0 1 395.344 1.623 20 10 GDCDMN CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000862550125 655847198 /nfs/dbraw/zinc/84/71/98/655847198.db2.gz BWEXBGBMZOAFHJ-NSHDSACASA-N 0 1 377.304 1.916 20 10 GDCDMN CN1CCN(c2ccc(CNc3cnn(C)c(=O)c3Br)cc2)CC1 ZINC000882880265 657256338 /nfs/dbraw/zinc/25/63/38/657256338.db2.gz KOMUSHSXZXWDOF-UHFFFAOYSA-N 0 1 392.301 1.907 20 10 GDCDMN Cn1ccn2c(CC[NH2+]Cc3ccc(Br)cc3[O-])nnc2c1=O ZINC000895788767 658729591 /nfs/dbraw/zinc/72/95/91/658729591.db2.gz GOBQTASXNVXWQV-UHFFFAOYSA-N 0 1 378.230 1.228 20 10 GDCDMN O=C([O-])CN1CCCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1=O ZINC001595095682 951811559 /nfs/dbraw/zinc/81/15/59/951811559.db2.gz 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ZINC000790408977 655048383 /nfs/dbraw/zinc/04/83/83/655048383.db2.gz IVDBTDXANMLAPY-UHFFFAOYSA-N 0 1 386.451 1.500 20 10 GDCDMN COc1ccc(N2CCN(C[C@H](O)Cn3ccc(Br)n3)CC2)cc1 ZINC000758229897 655054582 /nfs/dbraw/zinc/05/45/82/655054582.db2.gz HLFDTKRXQILJMH-HNNXBMFYSA-N 0 1 395.301 1.837 20 10 GDCDMN C[C@@H](N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000846186357 655449415 /nfs/dbraw/zinc/44/94/15/655449415.db2.gz WZLTVKJPPFXWAD-ZIAGYGMSSA-N 0 1 387.933 1.861 20 10 GDCDMN CC(C)OCCS(=O)(=O)N1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000876797515 656631819 /nfs/dbraw/zinc/63/18/19/656631819.db2.gz RKODSKSCNHKKMZ-UHFFFAOYSA-N 0 1 378.441 1.543 20 10 GDCDMN CO[C@@H]1CS(=O)(=O)[C@H]2CN(Cc3cc(Br)cc(F)c3O)C[C@H]21 ZINC000895280225 658682050 /nfs/dbraw/zinc/68/20/50/658682050.db2.gz OXQIXAIWGJDFLX-UHTWSYAYSA-N 0 1 394.262 1.538 20 10 GDCDMN CN(C)S(=O)(=O)n1ccnc1CNCc1cccc(Br)c1O ZINC000291593836 531300842 /nfs/dbraw/zinc/30/08/42/531300842.db2.gz PZNVQVLWVQBDJX-UHFFFAOYSA-N 0 1 389.275 1.296 20 10 GDCDMN C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CC[C@H](C(=O)[O-])C3)cc2F)C[C@@H](C)O1 ZINC000818112375 597527165 /nfs/dbraw/zinc/52/71/65/597527165.db2.gz BWVIQQATMNRYIK-FMKPAKJESA-N 0 1 393.459 1.462 20 10 GDCDMN COc1ccc(N2CC[NH+](CCNC(=O)CCCN(C)C(=O)[O-])CC2)cc1 ZINC000738020456 599741763 /nfs/dbraw/zinc/74/17/63/599741763.db2.gz FDCADKHFGCOYBA-UHFFFAOYSA-N 0 1 378.473 1.323 20 10 GDCDMN C[N@H+](CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000737392662 600428964 /nfs/dbraw/zinc/42/89/64/600428964.db2.gz BFKCTTKPHUFWFS-UHFFFAOYSA-N 0 1 389.496 1.859 20 10 GDCDMN C[N@@H+](CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000737392662 600428967 /nfs/dbraw/zinc/42/89/67/600428967.db2.gz BFKCTTKPHUFWFS-UHFFFAOYSA-N 0 1 389.496 1.859 20 10 GDCDMN CCC[N@H+](CC(=O)[O-])CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000737013260 600739608 /nfs/dbraw/zinc/73/96/08/600739608.db2.gz PKRLZQVLGHONIB-HUUCEWRRSA-N 0 1 395.475 1.852 20 10 GDCDMN CCC[N@@H+](CC(=O)[O-])CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000737013260 600739609 /nfs/dbraw/zinc/73/96/09/600739609.db2.gz PKRLZQVLGHONIB-HUUCEWRRSA-N 0 1 395.475 1.852 20 10 GDCDMN COc1ccc(N2CCN(C(=O)C[N@H+]3CCSC[C@H]3CC(=O)[O-])CC2)cc1 ZINC000832383506 601016996 /nfs/dbraw/zinc/01/69/96/601016996.db2.gz JOJOMSAKPNRNBF-MRXNPFEDSA-N 0 1 393.509 1.236 20 10 GDCDMN O=C(C(=O)N1CCN(Cc2cccc(Br)c2O)CC1)N1CCCC1 ZINC000091928435 644589655 /nfs/dbraw/zinc/58/96/55/644589655.db2.gz RGHKTLQRCQPJPW-UHFFFAOYSA-N 0 1 396.285 1.421 20 10 GDCDMN Cc1cc(Cl)cc(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1O ZINC000779607904 654764878 /nfs/dbraw/zinc/76/48/78/654764878.db2.gz QJNFZLVDSIUKSE-MRXNPFEDSA-N 0 1 388.917 1.980 20 10 GDCDMN CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(C)c2)ccc1O ZINC000790404008 655047738 /nfs/dbraw/zinc/04/77/38/655047738.db2.gz CHHVFNUAYGMXMI-UHFFFAOYSA-N 0 1 386.451 1.418 20 10 GDCDMN CNS(=O)(=O)c1cc(NS(=O)(=O)/C=C\c2ccc(F)cc2)ccc1O ZINC000790407161 655048036 /nfs/dbraw/zinc/04/80/36/655048036.db2.gz ULLGJUKOZUPPBG-HJWRWDBZSA-N 0 1 386.426 1.852 20 10 GDCDMN CS(=O)(=O)Cc1noc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000806388459 655063943 /nfs/dbraw/zinc/06/39/43/655063943.db2.gz DXEHQQIBJOAOKV-UHFFFAOYSA-N 0 1 395.224 1.948 20 10 GDCDMN O=S(=O)([C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1)N1CCOCC1 ZINC000792174245 655087739 /nfs/dbraw/zinc/08/77/39/655087739.db2.gz OXFDLENVQXMZII-LBPRGKRZSA-N 0 1 392.880 1.811 20 10 GDCDMN NC(=O)c1cnn2c1nccc2C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840549 655091181 /nfs/dbraw/zinc/09/11/81/655091181.db2.gz DKWSQGCMPNXYPM-UHFFFAOYSA-N 0 1 380.191 1.771 20 10 GDCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnc(Cl)n2C)cc1C ZINC000765051205 655227956 /nfs/dbraw/zinc/22/79/56/655227956.db2.gz KIVYTILAIFFORK-UHFFFAOYSA-N 0 1 392.890 1.944 20 10 GDCDMN CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825779103 655493570 /nfs/dbraw/zinc/49/35/70/655493570.db2.gz HEIVNXLASKDPQW-MFKMUULPSA-N 0 1 377.304 1.962 20 10 GDCDMN CC[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cc(Br)ccc1[O-] ZINC000866555394 655949445 /nfs/dbraw/zinc/94/94/45/655949445.db2.gz XDVNPNJRCZNGTM-YOEHRIQHSA-N 0 1 399.285 1.823 20 10 GDCDMN CCN1CCN(c2ccc(CNS(=O)(=O)N=S(C)(C)=O)cc2F)CC1 ZINC000866747789 655958532 /nfs/dbraw/zinc/95/85/32/655958532.db2.gz UNDQVOOHQAJNCS-UHFFFAOYSA-N 0 1 392.522 1.030 20 10 GDCDMN C[C@@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001589189220 956588351 /nfs/dbraw/zinc/58/83/51/956588351.db2.gz YFSVUSHTHIIZSS-IBGZPJMESA-N 0 1 379.432 1.218 20 10 GDCDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001589189220 956588363 /nfs/dbraw/zinc/58/83/63/956588363.db2.gz YFSVUSHTHIIZSS-IBGZPJMESA-N 0 1 379.432 1.218 20 10 GDCDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001574274038 960616937 /nfs/dbraw/zinc/61/69/37/960616937.db2.gz AWXUVVMGPNDLNV-CXAGYDPISA-N 0 1 379.432 1.216 20 10 GDCDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001574274038 960616943 /nfs/dbraw/zinc/61/69/43/960616943.db2.gz AWXUVVMGPNDLNV-CXAGYDPISA-N 0 1 379.432 1.216 20 10 GDCDMN CCN1CCN(c2ccc(C[NH2+]Cc3c(C(=O)[O-])cnn3C)cc2F)CC1 ZINC001603764181 974213702 /nfs/dbraw/zinc/21/37/02/974213702.db2.gz XYMWQNUUWQHQKB-UHFFFAOYSA-N 0 1 375.448 1.689 20 10 GDCDMN C[C@@H]1CN(c2ccc(C[NH2+]Cc3cn(CC(=O)[O-])nn3)cc2F)C[C@H](C)O1 ZINC001594576729 986423266 /nfs/dbraw/zinc/42/32/66/986423266.db2.gz GKAQUGVJWLACQF-BETUJISGSA-N 0 1 377.420 1.405 20 10 GDCDMN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001598762853 995796949 /nfs/dbraw/zinc/79/69/49/995796949.db2.gz XHRONEWTWHLGGT-YJBOKZPZSA-N 0 1 376.453 1.486 20 10 GDCDMN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001598762853 995796955 /nfs/dbraw/zinc/79/69/55/995796955.db2.gz XHRONEWTWHLGGT-YJBOKZPZSA-N 0 1 376.453 1.486 20 10 GDCDMN C[N@@H+](CCN1CCCS1(=O)=O)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000830781200 601370415 /nfs/dbraw/zinc/37/04/15/601370415.db2.gz ONVZLCNPBUYSFP-UHFFFAOYSA-N 0 1 378.450 1.711 20 10 GDCDMN COc1ccc(O)c([C@H](C)NC(=O)NCCC[NH+]2CCN(C(=O)[O-])CC2)c1 ZINC000739925309 602417082 /nfs/dbraw/zinc/41/70/82/602417082.db2.gz KURFWNWUMQUIRX-ZDUSSCGKSA-N 0 1 380.445 1.447 20 10 GDCDMN COc1cc(O)c(C[N@H+]2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)cc1OC ZINC000833888155 605500938 /nfs/dbraw/zinc/50/09/38/605500938.db2.gz VOBSFOIJSMDDGF-LBPRGKRZSA-N 0 1 381.429 1.005 20 10 GDCDMN O=C(CN1CCN(Cc2cccc(Br)c2O)CC1)N1CCOCC1 ZINC000119971646 644664993 /nfs/dbraw/zinc/66/49/93/644664993.db2.gz MLVPDTNGROWANG-UHFFFAOYSA-N 0 1 398.301 1.131 20 10 GDCDMN C[C@H](C(=O)NC1CC1)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000123339395 644695318 /nfs/dbraw/zinc/69/53/18/644695318.db2.gz KCCZQBXYAMGFQF-GFCCVEGCSA-N 0 1 382.302 1.939 20 10 GDCDMN O=S1(=O)CC[C@H](N2CCN(Cc3cccc(Br)c3O)CC2)C1 ZINC000179730843 644936857 /nfs/dbraw/zinc/93/68/57/644936857.db2.gz MIDZGGMEZZEJLE-ZDUSSCGKSA-N 0 1 389.315 1.459 20 10 GDCDMN Cn1ccnc(N2CCN(Cc3cccc(Br)c3O)CC2)c1=O ZINC000769466906 654465957 /nfs/dbraw/zinc/46/59/57/654465957.db2.gz OPUFJGHOGKFVHD-UHFFFAOYSA-N 0 1 379.258 1.571 20 10 GDCDMN COCCCS(=O)(=O)NCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840361 655091192 /nfs/dbraw/zinc/09/11/92/655091192.db2.gz AHMAAEKPMBXRDP-UHFFFAOYSA-N 0 1 385.269 1.271 20 10 GDCDMN C[C@H](NCCS(=O)(=O)N(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000810264905 655154094 /nfs/dbraw/zinc/15/40/94/655154094.db2.gz ZFPSTSRZVNDOOJ-ZDUSSCGKSA-N 0 1 375.922 1.719 20 10 GDCDMN O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000764777842 655222867 /nfs/dbraw/zinc/22/28/67/655222867.db2.gz HIFMCBXQOQYRGC-CHWSQXEVSA-N 0 1 384.274 1.817 20 10 GDCDMN O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000764777842 655222870 /nfs/dbraw/zinc/22/28/70/655222870.db2.gz HIFMCBXQOQYRGC-CHWSQXEVSA-N 0 1 384.274 1.817 20 10 GDCDMN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683038 655241603 /nfs/dbraw/zinc/24/16/03/655241603.db2.gz QTESQYNNNKVRGK-CYBMUJFWSA-N 0 1 388.251 1.442 20 10 GDCDMN CS(=O)(=O)CCN1CCC([NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825222225 655486151 /nfs/dbraw/zinc/48/61/51/655486151.db2.gz BNBUUVFLHLTWFK-UHFFFAOYSA-N 0 1 391.331 1.753 20 10 GDCDMN CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccc(Br)cc2[O-])C1=O ZINC000825326672 655487993 /nfs/dbraw/zinc/48/79/93/655487993.db2.gz RPUDMEVZTOWOEJ-BDJLRTHQSA-N 0 1 382.258 1.965 20 10 GDCDMN COC(=O)CNC(=O)CNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000877707002 656688495 /nfs/dbraw/zinc/68/84/95/656688495.db2.gz XCSKPPQVPFHORN-UHFFFAOYSA-N 0 1 398.301 1.818 20 10 GDCDMN CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cn(C)c(Cl)n2)N(C)C)cc1 ZINC000908458495 659910234 /nfs/dbraw/zinc/91/02/34/659910234.db2.gz WWHHMAFQLBDLPS-CQSZACIVSA-N 0 1 385.921 1.721 20 10 GDCDMN COc1ccc(N2CCN(C(=O)C[N@H+]3CCCC[C@@H]3CC(=O)[O-])CC2)cc1 ZINC000844836343 979400626 /nfs/dbraw/zinc/40/06/26/979400626.db2.gz ZGMCRUNVIKLDER-QGZVFWFLSA-N 0 1 375.469 1.673 20 10 GDCDMN COc1ccc(N2CCN(C[C@H](O)C[N@@H+](CCC(=O)[O-])C(C)C)CC2)cc1 ZINC000846268942 979435664 /nfs/dbraw/zinc/43/56/64/979435664.db2.gz DIDHHYFCEFATGJ-SFHVURJKSA-N 0 1 379.501 1.363 20 10 GDCDMN CC[N@H+](CCc1cn(CC(=O)OC)nn1)Cc1cc(Br)ccc1[O-] ZINC000154170034 531179454 /nfs/dbraw/zinc/17/94/54/531179454.db2.gz JSNOVATXRXKFOG-UHFFFAOYSA-N 0 1 397.273 1.984 20 10 GDCDMN CC[N@@H+](CCc1cn(CC(=O)OC)nn1)Cc1cc(Br)ccc1[O-] ZINC000154170034 531179455 /nfs/dbraw/zinc/17/94/55/531179455.db2.gz JSNOVATXRXKFOG-UHFFFAOYSA-N 0 1 397.273 1.984 20 10 GDCDMN O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])CCO2 ZINC000272119626 532078934 /nfs/dbraw/zinc/07/89/34/532078934.db2.gz ZIPOUHLOFCRSDS-DZGCQCFKSA-N 0 1 390.299 1.981 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1cc(C(=O)[O-])c(C)o1)cc2=O ZINC000737154718 600428995 /nfs/dbraw/zinc/42/89/95/600428995.db2.gz JQJDVCMSOIMEPB-UHFFFAOYSA-N 0 1 388.380 1.843 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1)cc2=O ZINC000737154718 600428997 /nfs/dbraw/zinc/42/89/97/600428997.db2.gz JQJDVCMSOIMEPB-UHFFFAOYSA-N 0 1 388.380 1.843 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C1CCC(NC(=O)[O-])CC1)cc2=O ZINC000827356609 603834688 /nfs/dbraw/zinc/83/46/88/603834688.db2.gz RCSVKUKMFQJFPG-UHFFFAOYSA-N 0 1 391.428 1.622 20 10 GDCDMN COC(=O)[C@@H](O)C1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000770330770 654509518 /nfs/dbraw/zinc/50/95/18/654509518.db2.gz CCQFISVVNJCZOO-HNNXBMFYSA-N 0 1 388.258 1.909 20 10 GDCDMN Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807513550 655084857 /nfs/dbraw/zinc/08/48/57/655084857.db2.gz POCGUPDFIXHYNW-UHFFFAOYSA-N 0 1 384.219 1.961 20 10 GDCDMN CN(CC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000807835350 655090954 /nfs/dbraw/zinc/09/09/54/655090954.db2.gz WUCZNMJQQQVAJL-NSHDSACASA-N 0 1 381.281 1.434 20 10 GDCDMN CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1c([O-])cccc1Br ZINC000858222997 655746031 /nfs/dbraw/zinc/74/60/31/655746031.db2.gz HCMSLBCUCVIJMA-QGZVFWFLSA-N 0 1 385.302 1.860 20 10 GDCDMN CC[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000858572089 655749413 /nfs/dbraw/zinc/74/94/13/655749413.db2.gz NUZSNNOLDNQPLQ-ZDUSSCGKSA-N 0 1 381.420 1.942 20 10 GDCDMN CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000862552135 655847481 /nfs/dbraw/zinc/84/74/81/655847481.db2.gz UBXWDENSCAKNGX-NSHDSACASA-N 0 1 377.304 1.916 20 10 GDCDMN CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000862552135 655847482 /nfs/dbraw/zinc/84/74/82/655847482.db2.gz UBXWDENSCAKNGX-NSHDSACASA-N 0 1 377.304 1.916 20 10 GDCDMN CNS(=O)(=O)C[C@H]1CCCN(Cc2ccc(Br)cc2O)C1 ZINC000862552135 655847483 /nfs/dbraw/zinc/84/74/83/655847483.db2.gz UBXWDENSCAKNGX-NSHDSACASA-N 0 1 377.304 1.916 20 10 GDCDMN NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894017634 658493768 /nfs/dbraw/zinc/49/37/68/658493768.db2.gz QDISISYTSUPYQW-SECBINFHSA-N 0 1 381.267 1.794 20 10 GDCDMN Cc1cc(Br)cc(CNCCS(=O)(=O)N=S(C)(C)=O)c1O ZINC000896313605 658767047 /nfs/dbraw/zinc/76/70/47/658767047.db2.gz XFIDAJYYBQPHDR-UHFFFAOYSA-N 0 1 399.332 1.610 20 10 GDCDMN CC[C@H](C(=O)[O-])[N@H+](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001589440793 954709998 /nfs/dbraw/zinc/70/99/98/954709998.db2.gz LRUJRRMFCFYFQM-GRDNDAEWSA-N 0 1 395.475 1.851 20 10 GDCDMN CC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001589440793 954710007 /nfs/dbraw/zinc/71/00/07/954710007.db2.gz LRUJRRMFCFYFQM-GRDNDAEWSA-N 0 1 395.475 1.851 20 10 GDCDMN COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@@H](C(=O)[O-])CC[C@@H]3C)CC2)cc1 ZINC000923251895 957106731 /nfs/dbraw/zinc/10/67/31/957106731.db2.gz GRFHDPGVTQGKCX-LNLFQRSKSA-N 0 1 391.512 1.363 20 10 GDCDMN COc1ccc(N2CC[NH+](CCNC(=O)N(C)C[C@@H](C)C(=O)[O-])CC2)cc1 ZINC001594101627 958441493 /nfs/dbraw/zinc/44/14/93/958441493.db2.gz MYRQZKZEXVVWLK-OAHLLOKOSA-N 0 1 378.473 1.179 20 10 GDCDMN CC(C)(C)C[N@H+](CC(=O)[O-])CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001588655738 960411872 /nfs/dbraw/zinc/41/18/72/960411872.db2.gz LDLNVWJGALYAQT-UHFFFAOYSA-N 0 1 395.475 1.711 20 10 GDCDMN CC(C)(C)C[N@@H+](CC(=O)[O-])CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001588655738 960411875 /nfs/dbraw/zinc/41/18/75/960411875.db2.gz LDLNVWJGALYAQT-UHFFFAOYSA-N 0 1 395.475 1.711 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1[C@@H]3CCCC[C@@H]3C[C@H]1C(=O)[O-])cc2=O ZINC001603818796 974299184 /nfs/dbraw/zinc/29/91/84/974299184.db2.gz KDGZPIUAKWONMR-DFBGVHRSSA-N 0 1 388.424 1.829 20 10 GDCDMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000846278138 979445594 /nfs/dbraw/zinc/44/55/94/979445594.db2.gz MBXFPJSSZASNFI-WMZOPIPTSA-N 0 1 379.501 1.363 20 10 GDCDMN CC[C@@H](C)[C@H](NC(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)C(=O)[O-] ZINC001594894403 982320267 /nfs/dbraw/zinc/32/02/67/982320267.db2.gz RHKGYRPZUYMZQQ-BEFAXECRSA-N 0 1 377.485 1.823 20 10 GDCDMN CC[C@@H](C)[C@H](NC(=O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1)C(=O)[O-] ZINC001594894403 982320274 /nfs/dbraw/zinc/32/02/74/982320274.db2.gz RHKGYRPZUYMZQQ-BEFAXECRSA-N 0 1 377.485 1.823 20 10 GDCDMN C[C@@H]1CN(c2ccc(C[NH2+]Cc3cn(CC(=O)[O-])nn3)cc2F)C[C@@H](C)O1 ZINC001594576730 986423378 /nfs/dbraw/zinc/42/33/78/986423378.db2.gz GKAQUGVJWLACQF-CHWSQXEVSA-N 0 1 377.420 1.405 20 10 GDCDMN CCOc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CC2)cc1 ZINC001597110814 986757798 /nfs/dbraw/zinc/75/77/98/986757798.db2.gz GCCCHTGYTLRONT-INIZCTEOSA-N 0 1 389.496 1.919 20 10 GDCDMN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001598762852 995796736 /nfs/dbraw/zinc/79/67/36/995796736.db2.gz XHRONEWTWHLGGT-QAPCUYQASA-N 0 1 376.453 1.486 20 10 GDCDMN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001598762852 995796741 /nfs/dbraw/zinc/79/67/41/995796741.db2.gz XHRONEWTWHLGGT-QAPCUYQASA-N 0 1 376.453 1.486 20 10 GDCDMN Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3cc(Cl)ccc3[O-])CC2)cn1 ZINC000154002277 531175989 /nfs/dbraw/zinc/17/59/89/531175989.db2.gz JLTPTGZROMVWQB-UHFFFAOYSA-N 0 1 384.889 1.722 20 10 GDCDMN CNS(=O)(=O)C1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000271755335 532050170 /nfs/dbraw/zinc/05/01/70/532050170.db2.gz WYFLYVLUJBDJFW-UHFFFAOYSA-N 0 1 377.304 1.977 20 10 GDCDMN C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CC[C@@H](C(=O)[O-])C3)cc2F)C[C@H](C)O1 ZINC000818112379 597527113 /nfs/dbraw/zinc/52/71/13/597527113.db2.gz BWVIQQATMNRYIK-IJEWVQPXSA-N 0 1 393.459 1.462 20 10 GDCDMN C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CC[C@@H](C(=O)[O-])C3)cc2F)C[C@@H](C)O1 ZINC000818112377 597527479 /nfs/dbraw/zinc/52/74/79/597527479.db2.gz BWVIQQATMNRYIK-IIAWOOMASA-N 0 1 393.459 1.462 20 10 GDCDMN O=C([O-])C1CCN(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000833190141 601603163 /nfs/dbraw/zinc/60/31/63/601603163.db2.gz OEKQUFNGUBVQON-KRWDZBQOSA-N 0 1 376.453 1.696 20 10 GDCDMN CC[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000828709303 601858656 /nfs/dbraw/zinc/85/86/56/601858656.db2.gz QVWVJJRQIQWULI-BEFAXECRSA-N 0 1 377.485 1.571 20 10 GDCDMN CC[C@@H](C)[C@H](NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000828709303 601858660 /nfs/dbraw/zinc/85/86/60/601858660.db2.gz QVWVJJRQIQWULI-BEFAXECRSA-N 0 1 377.485 1.571 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H](N(C)C(=O)[O-])C1)cc2=O ZINC000739482182 601966831 /nfs/dbraw/zinc/96/68/31/601966831.db2.gz LLUUYTZNLRNAGX-LBPRGKRZSA-N 0 1 377.401 1.186 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1)cc2=O ZINC000739482182 601966833 /nfs/dbraw/zinc/96/68/33/601966833.db2.gz LLUUYTZNLRNAGX-LBPRGKRZSA-N 0 1 377.401 1.186 20 10 GDCDMN COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](N(C)C(=O)[O-])C3)CC2)cc1 ZINC000739911203 601969555 /nfs/dbraw/zinc/96/95/55/601969555.db2.gz YJJJUMQKZHTGOT-QGZVFWFLSA-N 0 1 390.484 1.418 20 10 GDCDMN COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](N(C)C(=O)[O-])C3)CC2)cc1 ZINC000739911203 601969556 /nfs/dbraw/zinc/96/95/56/601969556.db2.gz YJJJUMQKZHTGOT-QGZVFWFLSA-N 0 1 390.484 1.418 20 10 GDCDMN COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H](NC(=O)[O-])[C@H](C)C3)CC2)cc1 ZINC000739911007 603415940 /nfs/dbraw/zinc/41/59/40/603415940.db2.gz UYRWWGLEMDMLPD-QAPCUYQASA-N 0 1 390.484 1.322 20 10 GDCDMN COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)CC2)cc1 ZINC000829424345 603614910 /nfs/dbraw/zinc/61/49/10/603614910.db2.gz ODUSLTSLFZPRBT-HOTGVXAUSA-N 0 1 390.484 1.370 20 10 GDCDMN O=C([O-])NCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000834241822 605502296 /nfs/dbraw/zinc/50/22/96/605502296.db2.gz VRDPYDXPGVVKDR-MRXNPFEDSA-N 0 1 375.469 1.867 20 10 GDCDMN CCOc1ccc(O)c(CN2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000825643318 608516813 /nfs/dbraw/zinc/51/68/13/608516813.db2.gz MDLYSDNHLUWQHT-UHFFFAOYSA-N 0 1 381.440 1.688 20 10 GDCDMN NC(=O)c1cccnc1N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000133179726 644753446 /nfs/dbraw/zinc/75/34/46/644753446.db2.gz DDTZUTTXGUESPC-UHFFFAOYSA-N 0 1 391.269 1.971 20 10 GDCDMN O=S(=O)(c1ccc(CNCc2cc(F)ccc2O)s1)N1CCOCC1 ZINC000779073568 654754157 /nfs/dbraw/zinc/75/41/57/654754157.db2.gz SKOWSBAVBBHFSH-UHFFFAOYSA-N 0 1 386.470 1.904 20 10 GDCDMN COC(=O)C1CCN(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805135975 655028461 /nfs/dbraw/zinc/02/84/61/655028461.db2.gz XSBTYEOILRYZHE-UHFFFAOYSA-N 0 1 397.280 1.918 20 10 GDCDMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCCSc1nccs1 ZINC000806275674 655061720 /nfs/dbraw/zinc/06/17/20/655061720.db2.gz QEQGIIQHNFEXBX-KGLIPLIRSA-N 0 1 382.555 1.827 20 10 GDCDMN COc1ccc(N2CCN(C[C@@H](O)Cn3cnc(Br)n3)CC2)cc1 ZINC000834387693 655065535 /nfs/dbraw/zinc/06/55/35/655065535.db2.gz KPSPVNYGUCPOOR-CQSZACIVSA-N 0 1 396.289 1.232 20 10 GDCDMN CN(C)c1ncncc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807511828 655084756 /nfs/dbraw/zinc/08/47/56/655084756.db2.gz XEKBKQZHUCTRMV-UHFFFAOYSA-N 0 1 384.223 1.810 20 10 GDCDMN CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(O)cc2SC)c1 ZINC000792703228 655097602 /nfs/dbraw/zinc/09/76/02/655097602.db2.gz QQGLOPAZAWJTES-UHFFFAOYSA-N 0 1 388.492 1.823 20 10 GDCDMN COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cccc(Br)c3[O-])C2)nn1 ZINC000761225982 655138174 /nfs/dbraw/zinc/13/81/74/655138174.db2.gz LIZJVLMZFSDDOG-LLVKDONJSA-N 0 1 381.230 1.980 20 10 GDCDMN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000797430755 655242072 /nfs/dbraw/zinc/24/20/72/655242072.db2.gz ACZWTYILOSIDSW-UHFFFAOYSA-N 0 1 377.394 1.642 20 10 GDCDMN COc1ccc(N2CCN(C(=O)C[N@H+]3CCCC[C@H]3CC(=O)[O-])CC2)cc1 ZINC000844836342 979400474 /nfs/dbraw/zinc/40/04/74/979400474.db2.gz ZGMCRUNVIKLDER-KRWDZBQOSA-N 0 1 375.469 1.673 20 10 GDCDMN COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CCC[C@@](C)(C(=O)[O-])C3)CC2)cc1 ZINC000846273465 979439601 /nfs/dbraw/zinc/43/96/01/979439601.db2.gz XJGVUGSUCSAUJB-WIYYLYMNSA-N 0 1 391.512 1.365 20 10 GDCDMN COc1ccc(N2CC[C@@H](CNC(=O)N3CC[N@@H+](C)C[C@@H](C(=O)[O-])C3)C2)cc1 ZINC001599586150 993616245 /nfs/dbraw/zinc/61/62/45/993616245.db2.gz MAGNWKICJCGCRO-JKSUJKDBSA-N 0 1 390.484 1.179 20 10 GDCDMN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](N)CCS(C)(=O)=O ZINC000236917407 531040994 /nfs/dbraw/zinc/04/09/94/531040994.db2.gz LYBDFEOMDGKDQL-LBPRGKRZSA-N 0 1 393.303 1.265 20 10 GDCDMN O=C(CN1CSCC1=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000363709656 531504208 /nfs/dbraw/zinc/50/42/08/531504208.db2.gz MMKCFKBJWZVQDJ-AWEZNQCLSA-N 0 1 383.901 1.659 20 10 GDCDMN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnn(CCOC)c2)cc1 ZINC000269606055 531696149 /nfs/dbraw/zinc/69/61/49/531696149.db2.gz IZONFRDOWKJWFN-UHFFFAOYSA-N 0 1 388.471 1.092 20 10 GDCDMN CC[C@H]([NH2+]C[C@]1(O)CCS(=O)(=O)C1)c1cc(Br)ccc1[O-] ZINC000296506264 531698869 /nfs/dbraw/zinc/69/88/69/531698869.db2.gz PHKYJYANZBKESF-GXTWGEPZSA-N 0 1 378.288 1.745 20 10 GDCDMN O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])CCO2 ZINC000272119639 532079494 /nfs/dbraw/zinc/07/94/94/532079494.db2.gz ZIPOUHLOFCRSDS-UKRRQHHQSA-N 0 1 390.299 1.981 20 10 GDCDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1 ZINC000274763087 532231705 /nfs/dbraw/zinc/23/17/05/532231705.db2.gz RKPZHSVQEOAPIN-UHFFFAOYSA-N 0 1 398.388 1.618 20 10 GDCDMN CCC[N@H+](CC(=O)[O-])CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000737013259 600739640 /nfs/dbraw/zinc/73/96/40/600739640.db2.gz PKRLZQVLGHONIB-GJZGRUSLSA-N 0 1 395.475 1.852 20 10 GDCDMN CCC[N@@H+](CC(=O)[O-])CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000737013259 600739642 /nfs/dbraw/zinc/73/96/42/600739642.db2.gz PKRLZQVLGHONIB-GJZGRUSLSA-N 0 1 395.475 1.852 20 10 GDCDMN CS(=O)(=O)N1CCC[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC000832687426 601595143 /nfs/dbraw/zinc/59/51/43/601595143.db2.gz BJDDNNQPFDYPTP-GFCCVEGCSA-N 0 1 390.889 1.604 20 10 GDCDMN COC(=O)/C=C/c1ccc(N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000828646383 604632343 /nfs/dbraw/zinc/63/23/43/604632343.db2.gz IKBZOUCMEFNOSL-DIECRNLCSA-N 0 1 378.385 1.169 20 10 GDCDMN COC(=O)/C=C/c1ccc(N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000828646383 604632347 /nfs/dbraw/zinc/63/23/47/604632347.db2.gz IKBZOUCMEFNOSL-DIECRNLCSA-N 0 1 378.385 1.169 20 10 GDCDMN O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)NCc1nn[nH]n1 ZINC000732158520 654462028 /nfs/dbraw/zinc/46/20/28/654462028.db2.gz HUWNOEAWINWUQB-YFHOEESVSA-N 0 1 394.507 1.559 20 10 GDCDMN CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(SC)cc2)ccc1O ZINC000790406113 655047885 /nfs/dbraw/zinc/04/78/85/655047885.db2.gz CLTSRZIZGRNJPN-UHFFFAOYSA-N 0 1 388.492 1.823 20 10 GDCDMN CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(F)c2)ccc1O ZINC000790407805 655048074 /nfs/dbraw/zinc/04/80/74/655048074.db2.gz RLFFIVHAUBRZGD-UHFFFAOYSA-N 0 1 390.414 1.249 20 10 GDCDMN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000797431201 655242102 /nfs/dbraw/zinc/24/21/02/655242102.db2.gz JRTVUAYTAXROFK-UHFFFAOYSA-N 0 1 376.847 1.412 20 10 GDCDMN CN(C)S(=O)(=O)N1CCN(Cc2cccc(Br)c2O)CC1 ZINC000768250101 655317352 /nfs/dbraw/zinc/31/73/52/655317352.db2.gz NAIBGLZYYDSSEY-UHFFFAOYSA-N 0 1 378.292 1.079 20 10 GDCDMN CCN(CC)S(=O)(=O)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816483485 655327383 /nfs/dbraw/zinc/32/73/83/655327383.db2.gz UMABGRXDKHXBJE-UHFFFAOYSA-N 0 1 379.885 1.889 20 10 GDCDMN COCC1(CNC(=O)NCc2cccc(Br)c2[O-])CC[NH2+]CC1 ZINC000841991260 655355054 /nfs/dbraw/zinc/35/50/54/655355054.db2.gz LWJDTQDXQNCVGK-UHFFFAOYSA-N 0 1 386.290 1.970 20 10 GDCDMN O=S(=O)(CC[NH2+]Cc1ccc(Br)cc1[O-])NCC1CCC1 ZINC000825222924 655486117 /nfs/dbraw/zinc/48/61/17/655486117.db2.gz SFWBPVOAONCHPF-UHFFFAOYSA-N 0 1 377.304 1.964 20 10 GDCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000858138907 655744795 /nfs/dbraw/zinc/74/47/95/655744795.db2.gz LUWJDGZEUZJEAS-CQSZACIVSA-N 0 1 384.318 1.651 20 10 GDCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764569 656691085 /nfs/dbraw/zinc/69/10/85/656691085.db2.gz FJUYPUYQJQHSAZ-AOOOYVTPSA-N 0 1 395.091 1.950 20 10 GDCDMN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1 ZINC000894555490 658580460 /nfs/dbraw/zinc/58/04/60/658580460.db2.gz IKZDWPLYCCGKPU-CQSZACIVSA-N 0 1 378.441 1.543 20 10 GDCDMN CS(=O)(=O)NC[C@@H]1COCCN1Cc1cc(Br)cc(F)c1O ZINC000895436248 658698144 /nfs/dbraw/zinc/69/81/44/658698144.db2.gz AMPMSPSGQVVNOD-LLVKDONJSA-N 0 1 397.266 1.044 20 10 GDCDMN O=C([O-])c1cnc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC001602507785 971212484 /nfs/dbraw/zinc/21/24/84/971212484.db2.gz YIUOYBAVTBJCHK-ZDUSSCGKSA-N 0 1 390.827 1.928 20 10 GDCDMN O=C([O-])c1cnc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC001602507785 971212491 /nfs/dbraw/zinc/21/24/91/971212491.db2.gz YIUOYBAVTBJCHK-ZDUSSCGKSA-N 0 1 390.827 1.928 20 10 GDCDMN COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@H](C(=O)[O-])CC[C@H]3C)CC2)cc1 ZINC000923251894 957106315 /nfs/dbraw/zinc/10/63/15/957106315.db2.gz GRFHDPGVTQGKCX-LMMKCTJWSA-N 0 1 391.512 1.363 20 10 GDCDMN Cc1cc(C(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)c(C)n1-c1ccccn1 ZINC001332141248 961477463 /nfs/dbraw/zinc/47/74/63/961477463.db2.gz IBLNRHZRYUKKGF-NRFANRHFSA-N 0 1 398.463 1.491 20 10 GDCDMN COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)C3(C(=O)[O-])CCCC3)CC2)cc1 ZINC000851706695 979572449 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CC(=O)c1cc(Cl)cc(C[NH2+]C2(CC(=O)[O-])CCS(=O)(=O)CC2)c1O ZINC001589267922 985950379 /nfs/dbraw/zinc/95/03/79/985950379.db2.gz JSYLLFZLIPEIPF-UHFFFAOYSA-N 0 1 389.857 1.760 20 10 GDCDMN C[C@@H](NC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC001593063949 993594583 /nfs/dbraw/zinc/59/45/83/993594583.db2.gz UDTCAXZHNPXDSV-FOIQADDNSA-N 0 1 390.484 1.385 20 10 GDCDMN CN1CCN(c2ccc(C[NH2+][C@@H](Cc3ccc4c(c3)OCO4)C(=O)[O-])cc2)CC1 ZINC000756358582 1126107535 /nfs/dbraw/zinc/10/75/35/1126107535.db2.gz AUPAILPQEABWNT-IBGZPJMESA-N 0 1 397.475 1.953 20 10 GDCDMN O=C([O-])/C=C\c1ccc(N2CC[NH+](CCn3ccccc3=O)CC2)c([N+](=O)[O-])c1 ZINC000739624411 600214445 /nfs/dbraw/zinc/21/44/45/600214445.db2.gz JDJGOOISSQCVIW-ALCCZGGFSA-N 0 1 398.419 1.677 20 10 GDCDMN COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](CN(C)C(=O)[O-])C3)CC2)cc1 ZINC000739907419 602531345 /nfs/dbraw/zinc/53/13/45/602531345.db2.gz CKCLMMVEHYPAMM-INIZCTEOSA-N 0 1 390.484 1.276 20 10 GDCDMN COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)CC2)cc1 ZINC000829424346 603615186 /nfs/dbraw/zinc/61/51/86/603615186.db2.gz ODUSLTSLFZPRBT-HZPDHXFCSA-N 0 1 390.484 1.370 20 10 GDCDMN COc1ccc(N2CC[NH+](CCNC(=O)C(C)(C)CNC(=O)[O-])CC2)cc1 ZINC000829423172 603646518 /nfs/dbraw/zinc/64/65/18/603646518.db2.gz CKFQBJYAGNTICK-UHFFFAOYSA-N 0 1 378.473 1.227 20 10 GDCDMN CC[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc(Cl)ccc1[O-] ZINC000775499691 654667694 /nfs/dbraw/zinc/66/76/94/654667694.db2.gz UDUGWJPQCKSWAR-OAHLLOKOSA-N 0 1 375.922 1.664 20 10 GDCDMN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cn(C)c(C)n2)c(F)c1 ZINC000830150263 654931533 /nfs/dbraw/zinc/93/15/33/654931533.db2.gz HSAOKZPAPJLXSU-UHFFFAOYSA-N 0 1 390.462 1.820 20 10 GDCDMN CC(=O)C(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)n1N ZINC000808025652 655095904 /nfs/dbraw/zinc/09/59/04/655095904.db2.gz NRSDJESXIQPYOQ-UHFFFAOYSA-N 0 1 376.829 1.953 20 10 GDCDMN COc1cc(Br)cc(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000814172124 655258179 /nfs/dbraw/zinc/25/81/79/655258179.db2.gz ZNLVMCHJHBCAQB-GFCCVEGCSA-N 0 1 393.303 1.629 20 10 GDCDMN C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(Br)ccc1[O-] ZINC000866554815 655949316 /nfs/dbraw/zinc/94/93/16/655949316.db2.gz UPJPNGVSSIUCCD-MEDUHNTESA-N 0 1 385.258 1.433 20 10 GDCDMN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCCN3CCSC[C@@H]23)c1 ZINC000928095100 656870867 /nfs/dbraw/zinc/87/08/67/656870867.db2.gz DGLXOGVSVNDGLX-KBPBESRZSA-N 0 1 385.511 1.073 20 10 GDCDMN CN1CCN(c2ccc(CNS(=O)(=O)c3cccnc3Cl)cc2)CC1 ZINC000882664123 657182880 /nfs/dbraw/zinc/18/28/80/657182880.db2.gz LAGTZXHHYLRAQG-UHFFFAOYSA-N 0 1 380.901 1.965 20 10 GDCDMN C[C@H](NCc1nnc2n1CCNC2=O)c1cc(Br)c(F)cc1O ZINC000883303806 657280515 /nfs/dbraw/zinc/28/05/15/657280515.db2.gz GWKIPUIVHBKBAN-ZETCQYMHSA-N 0 1 384.209 1.480 20 10 GDCDMN O=S1(=O)CC[C@@]2(C1)CN(Cc1cc(Br)cc(F)c1O)CCO2 ZINC000895079222 658657792 /nfs/dbraw/zinc/65/77/92/658657792.db2.gz PXTDEAWUFDETRX-AWEZNQCLSA-N 0 1 394.262 1.683 20 10 GDCDMN CN(C)c1ccc([C@H](CNS(=O)(=O)c2cnc(Cl)n2C)N(C)C)cc1 ZINC000908457570 659909973 /nfs/dbraw/zinc/90/99/73/659909973.db2.gz GAJHDVMKBPKLCM-AWEZNQCLSA-N 0 1 385.921 1.721 20 10 GDCDMN CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460151 659919834 /nfs/dbraw/zinc/91/98/34/659919834.db2.gz NGNLWADEKDFGFI-INIZCTEOSA-N 0 1 390.575 1.698 20 10 GDCDMN CCS(=O)(CC)=NS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908460151 659919835 /nfs/dbraw/zinc/91/98/35/659919835.db2.gz NGNLWADEKDFGFI-INIZCTEOSA-N 0 1 390.575 1.698 20 10 GDCDMN CC[S@](C)(=O)=NS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908460747 659920001 /nfs/dbraw/zinc/92/00/01/659920001.db2.gz YURMVILMYDEEPV-WNSKOXEYSA-N 0 1 376.548 1.307 20 10 GDCDMN COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]([C@H](C)C(=O)[O-])C3CC3)CC2)cc1 ZINC000851706619 969287437 /nfs/dbraw/zinc/28/74/37/969287437.db2.gz UASQJFAUZUIURR-CRAIPNDOSA-N 0 1 377.485 1.116 20 10 GDCDMN COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CCC[C@](C)(C(=O)[O-])C3)CC2)cc1 ZINC000846273462 979440047 /nfs/dbraw/zinc/44/00/47/979440047.db2.gz XJGVUGSUCSAUJB-NQIIRXRSSA-N 0 1 391.512 1.365 20 10 GDCDMN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001598762850 995796827 /nfs/dbraw/zinc/79/68/27/995796827.db2.gz XHRONEWTWHLGGT-CRAIPNDOSA-N 0 1 376.453 1.486 20 10 GDCDMN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001598762850 995796830 /nfs/dbraw/zinc/79/68/30/995796830.db2.gz XHRONEWTWHLGGT-CRAIPNDOSA-N 0 1 376.453 1.486 20 10 GDCDMN [O-]c1c(Br)cc(Br)cc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000363891704 531515339 /nfs/dbraw/zinc/51/53/39/531515339.db2.gz USUDOKJMDCGDIH-VHSXEESVSA-N 0 1 381.064 1.845 20 10 GDCDMN [O-]c1c(Br)cc(Br)cc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000363891704 531515345 /nfs/dbraw/zinc/51/53/45/531515345.db2.gz USUDOKJMDCGDIH-VHSXEESVSA-N 0 1 381.064 1.845 20 10 GDCDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1 ZINC000283774285 531893564 /nfs/dbraw/zinc/89/35/64/531893564.db2.gz BKTNHTZACNNTTK-UHFFFAOYSA-N 0 1 380.398 1.321 20 10 GDCDMN COc1cc(Br)cc(CN2CCC3(CC2)NC(=O)N(C)C3=O)c1O ZINC000368050816 531887695 /nfs/dbraw/zinc/88/76/95/531887695.db2.gz ICTJVTAMCDILKP-UHFFFAOYSA-N 0 1 398.257 1.680 20 10 GDCDMN O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])CCO2 ZINC000272119645 532078909 /nfs/dbraw/zinc/07/89/09/532078909.db2.gz ZIPOUHLOFCRSDS-ZFWWWQNUSA-N 0 1 390.299 1.981 20 10 GDCDMN O=C([O-])C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1cc(Cl)ccc1O ZINC000739786484 600953777 /nfs/dbraw/zinc/95/37/77/600953777.db2.gz ZNOOMZSVIGNAOS-UHFFFAOYSA-N 0 1 395.843 1.797 20 10 GDCDMN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768865470 654438512 /nfs/dbraw/zinc/43/85/12/654438512.db2.gz JYTKEZGMOGJZEA-UHFFFAOYSA-N 0 1 377.425 1.829 20 10 GDCDMN CN1CCN(c2ccc(CNC(=O)c3ncc(Br)cn3)cc2)CC1 ZINC000829296528 654896113 /nfs/dbraw/zinc/89/61/13/654896113.db2.gz JPPZDVSMIVLZQI-UHFFFAOYSA-N 0 1 390.285 1.921 20 10 GDCDMN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc3c2OCO3)cc1 ZINC000800843526 654897402 /nfs/dbraw/zinc/89/74/02/654897402.db2.gz MGTGIBQGUIJHDN-UHFFFAOYSA-N 0 1 385.423 1.092 20 10 GDCDMN CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)ccc1O ZINC000790404059 655047712 /nfs/dbraw/zinc/04/77/12/655047712.db2.gz DKXSSDAJRDPPCO-UHFFFAOYSA-N 0 1 388.442 1.857 20 10 GDCDMN CNS(=O)(=O)N1CCC(C(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000807837930 655090944 /nfs/dbraw/zinc/09/09/44/655090944.db2.gz GGKVYGVKVBLGNB-UHFFFAOYSA-N 0 1 396.296 1.491 20 10 GDCDMN O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000764777850 655222938 /nfs/dbraw/zinc/22/29/38/655222938.db2.gz HIFMCBXQOQYRGC-QWHCGFSZSA-N 0 1 384.274 1.817 20 10 GDCDMN O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000764777850 655222940 /nfs/dbraw/zinc/22/29/40/655222940.db2.gz HIFMCBXQOQYRGC-QWHCGFSZSA-N 0 1 384.274 1.817 20 10 GDCDMN COc1cc(Br)cc(CN2CCC[C@@H](N3CCNCC3=O)C2)c1O ZINC000843065367 655387870 /nfs/dbraw/zinc/38/78/70/655387870.db2.gz LGGJJLUQKZIFDZ-CQSZACIVSA-N 0 1 398.301 1.560 20 10 GDCDMN CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825429008 655489305 /nfs/dbraw/zinc/48/93/05/655489305.db2.gz FQBJCGXBANXIHH-MFKMUULPSA-N 0 1 377.304 1.962 20 10 GDCDMN O=C1CC[C@H]([NH+]2CCN(Cc3ccc(Br)cc3[O-])CC2)CCN1 ZINC000826096970 655496083 /nfs/dbraw/zinc/49/60/83/655496083.db2.gz KIOASZFPHJLJQK-HNNXBMFYSA-N 0 1 382.302 1.941 20 10 GDCDMN NS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000854474436 655667552 /nfs/dbraw/zinc/66/75/52/655667552.db2.gz KZJOEFJBOSTEDI-MRVPVSSYSA-N 0 1 382.269 1.231 20 10 GDCDMN CCN(Cc1cc(=O)n2nc(N)[nH]c2n1)Cc1cc(Br)ccc1O ZINC000856727545 655715507 /nfs/dbraw/zinc/71/55/07/655715507.db2.gz QCRGUAAOCUNMNT-UHFFFAOYSA-N 0 1 393.245 1.490 20 10 GDCDMN O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1c([O-])cccc1Br)CCO2 ZINC000858155111 655745074 /nfs/dbraw/zinc/74/50/74/655745074.db2.gz AKPYLPAGBZTJPM-XHDPSFHLSA-N 0 1 390.299 1.981 20 10 GDCDMN C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cc(Br)ccc1[O-] ZINC000866554816 655949336 /nfs/dbraw/zinc/94/93/36/655949336.db2.gz UPJPNGVSSIUCCD-ZBEGNZNMSA-N 0 1 385.258 1.433 20 10 GDCDMN C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(Br)ccc1[O-] ZINC000866554813 655949351 /nfs/dbraw/zinc/94/93/51/655949351.db2.gz UPJPNGVSSIUCCD-BDJLRTHQSA-N 0 1 385.258 1.433 20 10 GDCDMN CN(C)[S@](C)(=O)=NS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000882198362 657069649 /nfs/dbraw/zinc/06/96/49/657069649.db2.gz UHHRBAQRLUPNLE-HXUWFJFHSA-N 0 1 376.287 1.608 20 10 GDCDMN C[C@H](NCc1nnc2n1CCNC2=O)c1cc(Br)cc(F)c1O ZINC000883304190 657280999 /nfs/dbraw/zinc/28/09/99/657280999.db2.gz PCODIZNVUMLYSN-ZETCQYMHSA-N 0 1 384.209 1.480 20 10 GDCDMN C[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cc(Br)ccc1[O-] ZINC000886699189 657681934 /nfs/dbraw/zinc/68/19/34/657681934.db2.gz WEUJUDLSNAOFDB-JTQLQIEISA-N 0 1 392.257 1.789 20 10 GDCDMN COC(=O)c1cn(C2CN(Cc3cc(Br)cc(F)c3O)C2)nn1 ZINC000894426471 658556102 /nfs/dbraw/zinc/55/61/02/658556102.db2.gz BJEMUVQQHXIAHY-UHFFFAOYSA-N 0 1 385.193 1.729 20 10 GDCDMN COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CCC[C@@H]3CC(=O)[O-])CC2)cc1 ZINC000846273648 979439923 /nfs/dbraw/zinc/43/99/23/979439923.db2.gz AFWOQVHYYHKIQT-MSOLQXFVSA-N 0 1 377.485 1.117 20 10 GDCDMN CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)cc1F ZINC001596289801 983710181 /nfs/dbraw/zinc/71/01/81/983710181.db2.gz OSSRVKYYDASNJX-OAHLLOKOSA-N 0 1 380.464 1.830 20 10 GDCDMN COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)C[C@H](C(=O)[O-])C3)ccc21 ZINC001599267540 998493761 /nfs/dbraw/zinc/49/37/61/998493761.db2.gz FOBHTIDFNUWVLK-KRWDZBQOSA-N 0 1 387.480 1.993 20 10 GDCDMN CCN(CC(=O)N1CCN(C(C)=O)CC1)Cc1cc(Br)ccc1O ZINC000174424897 530647810 /nfs/dbraw/zinc/64/78/10/530647810.db2.gz QWOAUFRKMSYIGK-UHFFFAOYSA-N 0 1 398.301 1.667 20 10 GDCDMN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000266871120 531374939 /nfs/dbraw/zinc/37/49/39/531374939.db2.gz UOPXKKXPFQMWGE-OAHLLOKOSA-N 0 1 399.333 1.932 20 10 GDCDMN COC(=O)c1cnc(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)s1 ZINC000295268695 531552699 /nfs/dbraw/zinc/55/26/99/531552699.db2.gz JJBNWPHEOROCEV-GFCCVEGCSA-N 0 1 387.527 1.495 20 10 GDCDMN COC(=O)c1cn([C@H]2CCN(Cc3cc(Br)ccc3O)C2)nn1 ZINC000375203565 532153559 /nfs/dbraw/zinc/15/35/59/532153559.db2.gz VYPSYBSLYDLCRR-LBPRGKRZSA-N 0 1 381.230 1.980 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H]3CC[C@@H](C1)N3C(=O)[O-])cc2=O ZINC000827357319 603986219 /nfs/dbraw/zinc/98/62/19/603986219.db2.gz XBJMPXXHAHXIGP-OLZOCXBDSA-N 0 1 389.412 1.328 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H]3CC[C@@H](C1)N3C(=O)[O-])cc2=O ZINC000827357319 603986223 /nfs/dbraw/zinc/98/62/23/603986223.db2.gz XBJMPXXHAHXIGP-OLZOCXBDSA-N 0 1 389.412 1.328 20 10 GDCDMN O=C([O-])NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000834242270 605566422 /nfs/dbraw/zinc/56/64/22/605566422.db2.gz YSKQGXVXCFTDGB-QGZVFWFLSA-N 0 1 390.484 1.119 20 10 GDCDMN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824564850 608462708 /nfs/dbraw/zinc/46/27/08/608462708.db2.gz WUMDXIHGOHTCCV-CQSZACIVSA-N 0 1 379.468 1.900 20 10 GDCDMN CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1O ZINC000790406936 655048175 /nfs/dbraw/zinc/04/81/75/655048175.db2.gz JNVCSNVJKAPIMM-UHFFFAOYSA-N 0 1 376.843 1.755 20 10 GDCDMN COCc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)ncn1 ZINC000807513315 655084916 /nfs/dbraw/zinc/08/49/16/655084916.db2.gz YRWJAXFBPDULEE-UHFFFAOYSA-N 0 1 385.207 1.890 20 10 GDCDMN NS(=O)(=O)c1cnn(CCC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807840152 655091184 /nfs/dbraw/zinc/09/11/84/655091184.db2.gz RQDXTGIWEQSMAO-UHFFFAOYSA-N 0 1 393.252 1.249 20 10 GDCDMN O=S1(=O)CCN(Cc2cccc(Br)c2O)[C@H]2CCOC[C@H]21 ZINC000839186165 655240973 /nfs/dbraw/zinc/24/09/73/655240973.db2.gz KXBCSIMNESRBMQ-QWHCGFSZSA-N 0 1 376.272 1.543 20 10 GDCDMN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cc1 ZINC000797431427 655242377 /nfs/dbraw/zinc/24/23/77/655242377.db2.gz OLDCWSZHVFHYOP-UHFFFAOYSA-N 0 1 398.491 1.973 20 10 GDCDMN O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1c([O-])cccc1Br)CCO2 ZINC000858155110 655745026 /nfs/dbraw/zinc/74/50/26/655745026.db2.gz AKPYLPAGBZTJPM-NHYWBVRUSA-N 0 1 390.299 1.981 20 10 GDCDMN C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(Br)cc1[O-] ZINC000858569260 655749430 /nfs/dbraw/zinc/74/94/30/655749430.db2.gz CMKPPRQPUFAWAB-SECBINFHSA-N 0 1 378.292 1.296 20 10 GDCDMN CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC000862552485 655847466 /nfs/dbraw/zinc/84/74/66/655847466.db2.gz ZWKNLAPOBNKWFE-NSHDSACASA-N 0 1 377.304 1.916 20 10 GDCDMN CCN(Cc1cc(Br)ccc1O)S(=O)(=O)C[C@@H]1CNCCO1 ZINC000866751140 655958952 /nfs/dbraw/zinc/95/89/52/655958952.db2.gz UNIDKFNECPGIFW-ZDUSSCGKSA-N 0 1 393.303 1.295 20 10 GDCDMN NS(=O)(=O)c1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000877636945 656684372 /nfs/dbraw/zinc/68/43/72/656684372.db2.gz KSNPPJKFFAPISJ-UHFFFAOYSA-N 0 1 381.523 1.646 20 10 GDCDMN COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](CC(=O)[O-])CC(C)(C)C)CC2)cc1 ZINC000923259950 957108506 /nfs/dbraw/zinc/10/85/06/957108506.db2.gz NBQQXJPVOWYJLK-GOSISDBHSA-N 0 1 393.528 1.611 20 10 GDCDMN 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Cc1cc(C(=O)CN2CC[NH+](C[C@@H](C)O)CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738320378 600516072 /nfs/dbraw/zinc/51/60/72/600516072.db2.gz RRZPDZKVTOQVRT-MRXNPFEDSA-N 0 1 399.491 1.973 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1)cc2=O ZINC000739482099 602528691 /nfs/dbraw/zinc/52/86/91/602528691.db2.gz KPQAJSYRDARPLU-LLVKDONJSA-N 0 1 377.401 1.043 20 10 GDCDMN COc1ccc(N2CC[NH+](CCNC(=O)CC(C)(C)NC(=O)[O-])CC2)cc1 ZINC000739908945 603032925 /nfs/dbraw/zinc/03/29/25/603032925.db2.gz IBAHFEPCNCNPGY-UHFFFAOYSA-N 0 1 378.473 1.370 20 10 GDCDMN COc1cccc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1O ZINC000826216116 607632377 /nfs/dbraw/zinc/63/23/77/607632377.db2.gz LHUZTYCZIHGTHI-UHFFFAOYSA-N 0 1 397.363 1.338 20 10 GDCDMN CC1CCN(c2ccc(CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)CC1 ZINC000820727892 607214934 /nfs/dbraw/zinc/21/49/34/607214934.db2.gz QHRHIPTUOQGXDX-UHFFFAOYSA-N 0 1 381.444 1.011 20 10 GDCDMN COc1cc(O)c(CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1OC ZINC000826180906 608546459 /nfs/dbraw/zinc/54/64/59/608546459.db2.gz CKISMIIPJOOZIF-UHFFFAOYSA-N 0 1 397.439 1.307 20 10 GDCDMN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1 ZINC000783529006 654861559 /nfs/dbraw/zinc/86/15/59/654861559.db2.gz TYRPFKMRADTAPP-UHFFFAOYSA-N 0 1 384.483 1.782 20 10 GDCDMN O=C(NCc1cccc(Br)c1[O-])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000764777846 655222905 /nfs/dbraw/zinc/22/29/05/655222905.db2.gz HIFMCBXQOQYRGC-OLZOCXBDSA-N 0 1 384.274 1.817 20 10 GDCDMN O=C(NCc1cccc(Br)c1[O-])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000764777846 655222907 /nfs/dbraw/zinc/22/29/07/655222907.db2.gz HIFMCBXQOQYRGC-OLZOCXBDSA-N 0 1 384.274 1.817 20 10 GDCDMN CN(C)c1ccc([C@H]([NH3+])C[N-]S(=O)(=O)c2ncccc2Br)cc1 ZINC000850587314 655559249 /nfs/dbraw/zinc/55/92/49/655559249.db2.gz WCBVEBABIDJAMW-CQSZACIVSA-N 0 1 399.314 1.888 20 10 GDCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000858243214 655746281 /nfs/dbraw/zinc/74/62/81/655746281.db2.gz DMPNPIJHIBLKHI-LLVKDONJSA-N 0 1 389.257 1.961 20 10 GDCDMN CC[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000858572088 655749437 /nfs/dbraw/zinc/74/94/37/655749437.db2.gz NUZSNNOLDNQPLQ-CYBMUJFWSA-N 0 1 381.420 1.942 20 10 GDCDMN NC(=O)c1cn(C2CC[NH+](Cc3ccc(Br)cc3[O-])CC2)nn1 ZINC000862483207 655846817 /nfs/dbraw/zinc/84/68/17/655846817.db2.gz INXXYDIEKPFZPB-UHFFFAOYSA-N 0 1 380.246 1.682 20 10 GDCDMN Cn1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(Br)n1 ZINC000893608673 658427593 /nfs/dbraw/zinc/42/75/93/658427593.db2.gz YTIKKWLGMGWETJ-UHFFFAOYSA-N 0 1 392.301 1.864 20 10 GDCDMN C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C(=O)[O-] ZINC001589328073 953927532 /nfs/dbraw/zinc/92/75/32/953927532.db2.gz NHDQSLAXXQZTRW-LIRRHRJNSA-N 0 1 393.459 1.464 20 10 GDCDMN C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1C(=O)[O-] ZINC001589328073 953927537 /nfs/dbraw/zinc/92/75/37/953927537.db2.gz NHDQSLAXXQZTRW-LIRRHRJNSA-N 0 1 393.459 1.464 20 10 GDCDMN C[C@H](C[N@@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(=O)[O-] ZINC001589402301 954444699 /nfs/dbraw/zinc/44/46/99/954444699.db2.gz GLARNXZICAMKQI-KFWWJZLASA-N 0 1 395.475 1.708 20 10 GDCDMN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001598762851 995796878 /nfs/dbraw/zinc/79/68/78/995796878.db2.gz XHRONEWTWHLGGT-MAUKXSAKSA-N 0 1 376.453 1.486 20 10 GDCDMN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001598762851 995796883 /nfs/dbraw/zinc/79/68/83/995796883.db2.gz XHRONEWTWHLGGT-MAUKXSAKSA-N 0 1 376.453 1.486 20 10 GDCDMN NC(=O)[C@@H]1CN(Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000179940399 530753472 /nfs/dbraw/zinc/75/34/72/530753472.db2.gz MPNLAULNXRPMET-JTQLQIEISA-N 0 1 394.063 1.603 20 10 GDCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000377218791 532249033 /nfs/dbraw/zinc/24/90/33/532249033.db2.gz XUYYWMCECIXPFT-UHFFFAOYSA-N 0 1 383.235 2.487 20 10 GDCDMN COc1ccc(O)c([C@@H](C)NC(=O)NCCC[NH+]2CCN(C(=O)[O-])CC2)c1 ZINC000739925308 602417091 /nfs/dbraw/zinc/41/70/91/602417091.db2.gz KURFWNWUMQUIRX-CYBMUJFWSA-N 0 1 380.445 1.447 20 10 GDCDMN COc1ccc(N2CC[NH+](CCNC(=O)N(C)[C@@H](C)CNC(=O)[O-])CC2)cc1 ZINC000739911050 602623626 /nfs/dbraw/zinc/62/36/26/602623626.db2.gz WHQSKNOTXOYUTO-HNNXBMFYSA-N 0 1 393.488 1.115 20 10 GDCDMN COc1ccc(N2CCN(C(=O)C[N@H+](C)C3(C(=O)[O-])CCCC3)CC2)cc1 ZINC000832383482 604459734 /nfs/dbraw/zinc/45/97/34/604459734.db2.gz IJETUBGMPXZKIJ-UHFFFAOYSA-N 0 1 375.469 1.673 20 10 GDCDMN COc1ccc(N2CCN(C(=O)C[N@@H+](C)C3(C(=O)[O-])CCCC3)CC2)cc1 ZINC000832383482 604459738 /nfs/dbraw/zinc/45/97/38/604459738.db2.gz IJETUBGMPXZKIJ-UHFFFAOYSA-N 0 1 375.469 1.673 20 10 GDCDMN COc1cc(O)c(CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1OC ZINC000826181339 608546514 /nfs/dbraw/zinc/54/65/14/608546514.db2.gz VPWQGBJHWQELPX-UHFFFAOYSA-N 0 1 396.451 1.912 20 10 GDCDMN CN1CCN(c2ccc(CNC(=O)CN3CSCCSC3)cc2)CC1 ZINC000918839167 660241769 /nfs/dbraw/zinc/24/17/69/660241769.db2.gz QKWUXGMXYQOEGV-UHFFFAOYSA-N 0 1 380.583 1.752 20 10 GDCDMN CN1CCN(c2ccc(/C=C3\SC(=S)N(CC(N)=O)C3=O)cc2)CC1 ZINC000771513477 654539426 /nfs/dbraw/zinc/53/94/26/654539426.db2.gz MAXWMMMBHCLAML-UVTDQMKNSA-N 0 1 376.507 1.125 20 10 GDCDMN NS(=O)(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)nc1 ZINC000813684190 655241621 /nfs/dbraw/zinc/24/16/21/655241621.db2.gz MCZJKJRVWNZJTP-UHFFFAOYSA-N 0 1 376.221 1.671 20 10 GDCDMN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OC)cc2F)cc1 ZINC000797431783 655242297 /nfs/dbraw/zinc/24/22/97/655242297.db2.gz YLYXDKVTZLCGTA-UHFFFAOYSA-N 0 1 389.430 1.511 20 10 GDCDMN O=S(=O)(CC[NH2+]Cc1ccc(Br)cc1[O-])C1CCOCC1 ZINC000826064083 655495781 /nfs/dbraw/zinc/49/57/81/655495781.db2.gz DJJGUHFPKHUFIX-UHFFFAOYSA-N 0 1 378.288 1.838 20 10 GDCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000858138905 655744804 /nfs/dbraw/zinc/74/48/04/655744804.db2.gz LUWJDGZEUZJEAS-AWEZNQCLSA-N 0 1 384.318 1.651 20 10 GDCDMN Cc1cc(Br)cc([C@@H](C)NC2CN(S(=O)(=O)N(C)C)C2)c1O ZINC000858569595 655749464 /nfs/dbraw/zinc/74/94/64/655749464.db2.gz LNOZOMDMCGQHET-SNVBAGLBSA-N 0 1 392.319 1.604 20 10 GDCDMN Cc1ncc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)n1C ZINC000863400495 655868367 /nfs/dbraw/zinc/86/83/67/655868367.db2.gz OSGCXGLZZNNUJZ-UHFFFAOYSA-N 0 1 378.863 1.554 20 10 GDCDMN Cn1c(Cl)ncc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000882664291 657182768 /nfs/dbraw/zinc/18/27/68/657182768.db2.gz RYRXJSLBLSUVKS-UHFFFAOYSA-N 0 1 383.905 1.304 20 10 GDCDMN O=C1NCCn2c(C[NH2+]Cc3cc(Cl)cc(Br)c3[O-])nnc21 ZINC000883293988 657280076 /nfs/dbraw/zinc/28/00/76/657280076.db2.gz MKQGMXXLWUOMKS-UHFFFAOYSA-N 0 1 386.637 1.433 20 10 GDCDMN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(F)cc(F)c2O)C1 ZINC000894555489 658580379 /nfs/dbraw/zinc/58/03/79/658580379.db2.gz IKZDWPLYCCGKPU-AWEZNQCLSA-N 0 1 378.441 1.543 20 10 GDCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1 ZINC000897610762 658873622 /nfs/dbraw/zinc/87/36/22/658873622.db2.gz VYEMNRMVEBUIML-PWSUYJOCSA-N 0 1 377.304 1.820 20 10 GDCDMN CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460152 659919844 /nfs/dbraw/zinc/91/98/44/659919844.db2.gz NGNLWADEKDFGFI-MRXNPFEDSA-N 0 1 390.575 1.698 20 10 GDCDMN CCS(=O)(CC)=NS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908460152 659919845 /nfs/dbraw/zinc/91/98/45/659919845.db2.gz NGNLWADEKDFGFI-MRXNPFEDSA-N 0 1 390.575 1.698 20 10 GDCDMN COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CCCC[C@@H]3CC(=O)[O-])CC2)cc1 ZINC000846266417 955702337 /nfs/dbraw/zinc/70/23/37/955702337.db2.gz ZWJOJBCVKWXKAQ-MOPGFXCFSA-N 0 1 391.512 1.507 20 10 GDCDMN CS(=O)(=O)[C@H]1C[C@]1(C[NH2+]Cc1cccc(Br)c1O)C(=O)[O-] ZINC001599763658 992156078 /nfs/dbraw/zinc/15/60/78/992156078.db2.gz PDTCJBJQQNQXOQ-GXFFZTMASA-N 0 1 378.244 1.132 20 10 GDCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[N@H+](C)CC(=O)[O-])C1 ZINC001591635509 992944296 /nfs/dbraw/zinc/94/42/96/992944296.db2.gz OPZRFLAJJSHTGV-UHFFFAOYSA-N 0 1 386.496 1.540 20 10 GDCDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC[N@@H+](C)CC(=O)[O-])C1 ZINC001591635509 992944304 /nfs/dbraw/zinc/94/43/04/992944304.db2.gz OPZRFLAJJSHTGV-UHFFFAOYSA-N 0 1 386.496 1.540 20 10 GDCDMN COc1c(O)c(C[NH+]2CCC(O)(C3(C(=O)[O-])CCC3)CC2)ccc1[N+](=O)[O-] ZINC001599345611 997999889 /nfs/dbraw/zinc/99/98/89/997999889.db2.gz XKTHWJSFVBATRY-UHFFFAOYSA-N 0 1 380.397 1.891 20 10 GDCDMN COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000190832997 530938797 /nfs/dbraw/zinc/93/87/97/530938797.db2.gz DHOWUXYVQWSOHS-AWEZNQCLSA-N 0 1 376.906 1.918 20 10 GDCDMN CNS(=O)(=O)NC1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000291545519 531297321 /nfs/dbraw/zinc/29/73/21/531297321.db2.gz LSPLADYPWGEHNB-UHFFFAOYSA-N 0 1 378.292 1.173 20 10 GDCDMN CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cc(Br)ccc2[O-])C1=O ZINC000377973776 532277748 /nfs/dbraw/zinc/27/77/48/532277748.db2.gz BIGZFWJRLJVDLL-ZBEGNZNMSA-N 0 1 382.258 1.965 20 10 GDCDMN CC1(C)NC(=O)N(CCC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1=O ZINC000736738978 600313752 /nfs/dbraw/zinc/31/37/52/600313752.db2.gz YICJEZMOGMKJIE-UHFFFAOYSA-N 0 1 383.832 1.653 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCSC[C@@H]1CC(=O)[O-])cc2=O ZINC000829890092 601023604 /nfs/dbraw/zinc/02/36/04/601023604.db2.gz KOGZOEZGGOGCFC-NSHDSACASA-N 0 1 380.426 1.004 20 10 GDCDMN CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCSC[C@@H]1CC(=O)[O-])cc2=O ZINC000829890092 601023606 /nfs/dbraw/zinc/02/36/06/601023606.db2.gz KOGZOEZGGOGCFC-NSHDSACASA-N 0 1 380.426 1.004 20 10 GDCDMN COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])CC2)cc1 ZINC000739909747 603032791 /nfs/dbraw/zinc/03/27/91/603032791.db2.gz MTNUYZXVHSQUGV-MSOLQXFVSA-N 0 1 390.484 1.370 20 10 GDCDMN COc1ccc(O)c(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c1 ZINC000826210493 607637567 /nfs/dbraw/zinc/63/75/67/607637567.db2.gz UELRHNODRYVBPQ-UHFFFAOYSA-N 0 1 397.363 1.338 20 10 GDCDMN CN1CCN(c2ccc(/C=C3/SC(=S)N(CC(N)=O)C3=O)cc2)CC1 ZINC000771513476 654539288 /nfs/dbraw/zinc/53/92/88/654539288.db2.gz MAXWMMMBHCLAML-GXDHUFHOSA-N 0 1 376.507 1.125 20 10 GDCDMN CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000800309922 654882287 /nfs/dbraw/zinc/88/22/87/654882287.db2.gz PVJCXTYQCNTGRN-ZWNOBZJWSA-N 0 1 377.304 1.962 20 10 GDCDMN CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2COC)ccc1O ZINC000790408455 655048397 /nfs/dbraw/zinc/04/83/97/655048397.db2.gz ZYVROOZIWZPGRS-UHFFFAOYSA-N 0 1 386.451 1.248 20 10 GDCDMN NC(=O)c1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000807513103 655084837 /nfs/dbraw/zinc/08/48/37/655084837.db2.gz UBXJRALPLOTTPK-UHFFFAOYSA-N 0 1 383.191 1.448 20 10 GDCDMN Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807512975 655084873 /nfs/dbraw/zinc/08/48/73/655084873.db2.gz DWTGOURWQYLOCE-UHFFFAOYSA-N 0 1 384.219 1.961 20 10 GDCDMN CN(CC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000807835346 655090867 /nfs/dbraw/zinc/09/08/67/655090867.db2.gz WUCZNMJQQQVAJL-LLVKDONJSA-N 0 1 381.281 1.434 20 10 GDCDMN CNS(=O)(=O)c1cc(NS(=O)(=O)CCc2cccs2)ccc1O ZINC000811700712 655202891 /nfs/dbraw/zinc/20/28/91/655202891.db2.gz PYQYMWRGTVDKOG-UHFFFAOYSA-N 0 1 376.481 1.346 20 10 GDCDMN CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684749 655241592 /nfs/dbraw/zinc/24/15/92/655241592.db2.gz VVBXHSUWWRILKO-LBPRGKRZSA-N 0 1 390.267 1.722 20 10 GDCDMN O=S(=O)([C@@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1)N1CCOCC1 ZINC000816565145 655329199 /nfs/dbraw/zinc/32/91/99/655329199.db2.gz DAWBWWRCKRXIQR-CYBMUJFWSA-N 0 1 392.880 1.811 20 10 GDCDMN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000821146289 655423495 /nfs/dbraw/zinc/42/34/95/655423495.db2.gz GGXBMPFGJMLKGK-GHMZBOCLSA-N 0 1 383.253 1.310 20 10 GDCDMN C[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)c1cc(Br)ccc1O ZINC000858570142 655749390 /nfs/dbraw/zinc/74/93/90/655749390.db2.gz TXBOXGJCBRAYBY-SECBINFHSA-N 0 1 378.292 1.296 20 10 GDCDMN COC(=O)c1cn([C@H]2CC[N@H+](Cc3c([O-])cccc3Br)C2)nn1 ZINC000862325443 655844298 /nfs/dbraw/zinc/84/42/98/655844298.db2.gz BRWMOFOEYNLKSA-JTQLQIEISA-N 0 1 381.230 1.980 20 10 GDCDMN COC(=O)c1cn([C@H]2CC[N@@H+](Cc3c([O-])cccc3Br)C2)nn1 ZINC000862325443 655844302 /nfs/dbraw/zinc/84/43/02/655844302.db2.gz BRWMOFOEYNLKSA-JTQLQIEISA-N 0 1 381.230 1.980 20 10 GDCDMN COC(=O)c1cn([C@H]2CCN(Cc3c(O)cccc3Br)C2)nn1 ZINC000862325443 655844305 /nfs/dbraw/zinc/84/43/05/655844305.db2.gz BRWMOFOEYNLKSA-JTQLQIEISA-N 0 1 381.230 1.980 20 10 GDCDMN Cc1cc(C(=O)NC[C@H]2COCCN2)c(C)n1-c1ccc(Br)cn1 ZINC000877039554 656648658 /nfs/dbraw/zinc/64/86/58/656648658.db2.gz NENJYUSRHHNKKE-AWEZNQCLSA-N 0 1 393.285 1.970 20 10 GDCDMN COC(=O)C[C@H]1C(=O)NCCN1Cc1cc(Br)cc(F)c1O ZINC000893880976 658471978 /nfs/dbraw/zinc/47/19/78/658471978.db2.gz RYCFEPIVBFPPSL-NSHDSACASA-N 0 1 375.194 1.157 20 10 GDCDMN CS(C)(=O)=NS(=O)(=O)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000895312691 658684416 /nfs/dbraw/zinc/68/44/16/658684416.db2.gz RVOUVOUBNVJAFV-UHFFFAOYSA-N 0 1 399.897 1.275 20 10 GDCDMN C[C@@H](NCCS(=O)(=O)N=S(C)(C)=O)c1cc(Br)ccc1O ZINC000903225920 659305074 /nfs/dbraw/zinc/30/50/74/659305074.db2.gz KHWUWOYZEQOJIY-SECBINFHSA-N 0 1 399.332 1.863 20 10 GDCDMN CN(C)c1ccc([C@@H](CNS(=O)(=O)c2c(Cl)cnn2C)N(C)C)cc1 ZINC000908460480 659919809 /nfs/dbraw/zinc/91/98/09/659919809.db2.gz UVANKUQASFHVGX-OAHLLOKOSA-N 0 1 385.921 1.721 20 10 GDCDMN CN(C)c1ccc([C@H](C[N-]S(=O)(=O)N=S2(=O)CCCC2)[NH+](C)C)cc1 ZINC000908460496 659919821 /nfs/dbraw/zinc/91/98/21/659919821.db2.gz VMTLGSSPFYBROY-INIZCTEOSA-N 0 1 388.559 1.452 20 10 GDCDMN CN(C)c1ccc([C@H](CNS(=O)(=O)N=S2(=O)CCCC2)N(C)C)cc1 ZINC000908460496 659919823 /nfs/dbraw/zinc/91/98/23/659919823.db2.gz VMTLGSSPFYBROY-INIZCTEOSA-N 0 1 388.559 1.452 20 10 GDCDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001589304131 953723698 /nfs/dbraw/zinc/72/36/98/953723698.db2.gz FVERLYNABYMGPJ-ZBFHGGJFSA-N 0 1 393.459 1.464 20 10 GDCDMN O=C([O-])[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC001594854592 954214899 /nfs/dbraw/zinc/21/48/99/954214899.db2.gz OOGBADHXFZSCJY-KDOFPFPSSA-N 0 1 382.844 1.760 20 10 GDCDMN CC[C@@H](C)[N@H+](CC(=O)[O-])C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 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/nfs/dbraw/zinc/76/94/68/606769468.db2.gz ZTFHHDZGYWZMCN-CYBMUJFWSA-N 0 1 392.467 1.562 20 10 GDCDMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000820804806 606769471 /nfs/dbraw/zinc/76/94/71/606769471.db2.gz ZTFHHDZGYWZMCN-CYBMUJFWSA-N 0 1 392.467 1.562 20 10 GDCDMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000820804806 606769472 /nfs/dbraw/zinc/76/94/72/606769472.db2.gz ZTFHHDZGYWZMCN-CYBMUJFWSA-N 0 1 392.467 1.562 20 10 GDCDMN Cc1cnc(N)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1 ZINC000773234075 654587320 /nfs/dbraw/zinc/58/73/20/654587320.db2.gz ZWHXKUAMXZJWBC-UHFFFAOYSA-N 0 1 390.874 1.798 20 10 GDCDMN COc1cc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)ccc1O ZINC000802722465 654952445 /nfs/dbraw/zinc/95/24/45/654952445.db2.gz QLHLUYTTWPQLMJ-UHFFFAOYSA-N 0 1 387.435 1.614 20 10 GDCDMN Cn1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cc1C(N)=O ZINC000805134717 655028247 /nfs/dbraw/zinc/02/82/47/655028247.db2.gz HBECSJAMDJKONF-UHFFFAOYSA-N 0 1 378.237 1.615 20 10 GDCDMN O=S1(=O)CCN(Cc2cccc(Br)c2O)[C@@H]2CCOC[C@@H]21 ZINC000839186163 655241032 /nfs/dbraw/zinc/24/10/32/655241032.db2.gz KXBCSIMNESRBMQ-OLZOCXBDSA-N 0 1 376.272 1.543 20 10 GDCDMN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000797431106 655242039 /nfs/dbraw/zinc/24/20/39/655242039.db2.gz HOBYSIRFGHCENA-UHFFFAOYSA-N 0 1 394.837 1.551 20 10 GDCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000799123713 655285397 /nfs/dbraw/zinc/28/53/97/655285397.db2.gz DNIHJSCIKHURPP-UHFFFAOYSA-N 0 1 384.797 1.732 20 10 GDCDMN CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825429009 655489338 /nfs/dbraw/zinc/48/93/38/655489338.db2.gz FQBJCGXBANXIHH-ZWNOBZJWSA-N 0 1 377.304 1.962 20 10 GDCDMN CC[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(Br)ccc1[O-] ZINC000866555393 655949448 /nfs/dbraw/zinc/94/94/48/655949448.db2.gz XDVNPNJRCZNGTM-WMLDXEAASA-N 0 1 399.285 1.823 20 10 GDCDMN O=S(=O)([C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1)N1CCOCC1 ZINC000877173500 656658740 /nfs/dbraw/zinc/65/87/40/656658740.db2.gz FGIRJXFZZAFEKQ-ZDUSSCGKSA-N 0 1 376.425 1.297 20 10 GDCDMN O=S(=O)([C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1)N1CCOCC1 ZINC000877173500 656658744 /nfs/dbraw/zinc/65/87/44/656658744.db2.gz FGIRJXFZZAFEKQ-ZDUSSCGKSA-N 0 1 376.425 1.297 20 10 GDCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CSCC(=O)N1 ZINC000934941049 657386731 /nfs/dbraw/zinc/38/67/31/657386731.db2.gz WAVUKTQOPVGKGM-KBPBESRZSA-N 0 1 383.901 1.358 20 10 GDCDMN CN(C)S(=O)(=O)N1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000893924194 658477452 /nfs/dbraw/zinc/47/74/52/658477452.db2.gz JXEKKTOOVJHYTI-UHFFFAOYSA-N 0 1 396.282 1.218 20 10 GDCDMN COC(=O)[C@@]1(C[NH2+]Cc2c([O-])cccc2Br)C[C@@H]1S(C)(=O)=O ZINC000895510331 658706776 /nfs/dbraw/zinc/70/67/76/658706776.db2.gz NRLPXFZQSYUZTD-GXTWGEPZSA-N 0 1 392.271 1.221 20 10 GDCDMN C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(Br)cc1[O-] ZINC000903227160 659306542 /nfs/dbraw/zinc/30/65/42/659306542.db2.gz RKRXPHHAZFPHMW-SECBINFHSA-N 0 1 399.332 1.863 20 10 GDCDMN