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/nfs/dbraw/zinc/93/33/65/658933365.db2.gz YEXBCMZAMFMUMH-UHFFFAOYSA-N 0 2 365.419 -0.187 20 0 FBADLN O=C(NNC(=S)NCCN1CCOCC1)c1n[nH]c2c1CCCC2 ZINC000055030185 839767873 /nfs/dbraw/zinc/76/78/73/839767873.db2.gz OPBSESYSYJGYHK-UHFFFAOYSA-N 0 2 352.464 -0.270 20 0 FBADLN O=C(CCN1CCOC1=O)NNC(=O)c1csc(N2CCOCC2)n1 ZINC000055140089 660100096 /nfs/dbraw/zinc/10/00/96/660100096.db2.gz YAEJQXNKCCXZJQ-UHFFFAOYSA-N 0 2 369.403 -0.417 20 0 FBADLN CNC(=O)Cn1cc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cn1 ZINC000055641111 484427279 /nfs/dbraw/zinc/42/72/79/484427279.db2.gz XKKHNDCMRLQEIQ-UHFFFAOYSA-N 0 2 351.344 -0.136 20 0 FBADLN CNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C(=O)NC)cc2)cn1 ZINC000055641116 484515197 /nfs/dbraw/zinc/51/51/97/484515197.db2.gz ULTDEWXFCYVMCQ-UHFFFAOYSA-N 0 2 351.388 -0.211 20 0 FBADLN COC(=O)CNS(=O)(=O)c1cccc(NS(=O)(=O)c2cn[nH]c2)c1 ZINC000057118450 484425478 /nfs/dbraw/zinc/42/54/78/484425478.db2.gz WSWVYKWNISMFCR-UHFFFAOYSA-N 0 2 374.400 -0.338 20 0 FBADLN 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ZINC000829284482 604398478 /nfs/dbraw/zinc/39/84/78/604398478.db2.gz JTSYOMLNTFNLFK-ZDUSSCGKSA-N 0 2 364.402 -0.165 20 0 FBADLN COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[O-] ZINC000829510064 604349020 /nfs/dbraw/zinc/34/90/20/604349020.db2.gz ACXMCMBPXQYBPQ-SECBINFHSA-N 0 2 374.419 -0.131 20 0 FBADLN COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[O-] ZINC000829510064 604349017 /nfs/dbraw/zinc/34/90/17/604349017.db2.gz ACXMCMBPXQYBPQ-SECBINFHSA-N 0 2 374.419 -0.131 20 0 FBADLN COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[O-] ZINC000829510065 604349224 /nfs/dbraw/zinc/34/92/24/604349224.db2.gz ACXMCMBPXQYBPQ-VIFPVBQESA-N 0 2 374.419 -0.131 20 0 FBADLN COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[O-] ZINC000829510065 604349223 /nfs/dbraw/zinc/34/92/23/604349223.db2.gz ACXMCMBPXQYBPQ-VIFPVBQESA-N 0 2 374.419 -0.131 20 0 FBADLN CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N(C)CCC(=O)[O-])CC1 ZINC000829514126 601254383 /nfs/dbraw/zinc/25/43/83/601254383.db2.gz 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CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000829654061 601274811 /nfs/dbraw/zinc/27/48/11/601274811.db2.gz RNYDVHRFUHUCSS-ZDUSSCGKSA-N 0 2 363.480 -0.087 20 0 FBADLN CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000829654061 601274810 /nfs/dbraw/zinc/27/48/10/601274810.db2.gz RNYDVHRFUHUCSS-ZDUSSCGKSA-N 0 2 363.480 -0.087 20 0 FBADLN CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000829675284 603890334 /nfs/dbraw/zinc/89/03/34/603890334.db2.gz VKTKWZFYBAWWNA-AWEZNQCLSA-N 0 2 365.427 -0.296 20 0 FBADLN CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)CC1 ZINC000829675290 603890136 /nfs/dbraw/zinc/89/01/36/603890136.db2.gz VKTKWZFYBAWWNA-CQSZACIVSA-N 0 2 365.427 -0.296 20 0 FBADLN CS(=O)(=O)N1CC[NH+](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[O-])CC1 ZINC000829683917 603398752 /nfs/dbraw/zinc/39/87/52/603398752.db2.gz YTNDKOLWTYIOBC-GJZGRUSLSA-N 0 2 371.459 -0.197 20 0 FBADLN CS(=O)(=O)NC[C@H]1CCC[N@@H+](CN2CC3(CN(C(=O)[O-])C3)CC2=O)C1 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ZINC000829745438 601466457 /nfs/dbraw/zinc/46/64/57/601466457.db2.gz QLBXRSFIAQTYBB-LBPRGKRZSA-N 0 2 352.391 -0.722 20 0 FBADLN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000829821323 604398659 /nfs/dbraw/zinc/39/86/59/604398659.db2.gz QDGQTNJPVCCTOV-JTQLQIEISA-N 0 2 353.379 -0.461 20 0 FBADLN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000829821323 604398656 /nfs/dbraw/zinc/39/86/56/604398656.db2.gz QDGQTNJPVCCTOV-JTQLQIEISA-N 0 2 353.379 -0.461 20 0 FBADLN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)[O-] ZINC000829821328 604398964 /nfs/dbraw/zinc/39/89/64/604398964.db2.gz QDGQTNJPVCCTOV-SNVBAGLBSA-N 0 2 353.379 -0.461 20 0 FBADLN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)[O-] ZINC000829821328 604398961 /nfs/dbraw/zinc/39/89/61/604398961.db2.gz QDGQTNJPVCCTOV-SNVBAGLBSA-N 0 2 353.379 -0.461 20 0 FBADLN Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)[O-] ZINC000829828938 603509249 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/nfs/dbraw/zinc/90/59/56/840905956.db2.gz KCTCWABVFSGTKR-HBNTYKKESA-N 0 2 353.423 -0.498 20 0 FBADLN Cc1n[nH]c(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]2O)c1[O-] ZINC001192257160 840905950 /nfs/dbraw/zinc/90/59/50/840905950.db2.gz KCTCWABVFSGTKR-HBNTYKKESA-N 0 2 353.423 -0.498 20 0 FBADLN Cc1n[nH]c(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]2O)c1[O-] ZINC001192257803 840906314 /nfs/dbraw/zinc/90/63/14/840906314.db2.gz PGHZUFCFEXHPBF-IJLUTSLNSA-N 0 2 353.423 -0.546 20 0 FBADLN Cc1n[nH]c(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C(C)C)C[C@H]2O)c1[O-] ZINC001192257803 840906311 /nfs/dbraw/zinc/90/63/11/840906311.db2.gz PGHZUFCFEXHPBF-IJLUTSLNSA-N 0 2 353.423 -0.546 20 0 FBADLN Cc1n[nH]c(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]2O)c1[O-] ZINC001192257806 840906258 /nfs/dbraw/zinc/90/62/58/840906258.db2.gz PGHZUFCFEXHPBF-QJPTWQEYSA-N 0 2 353.423 -0.546 20 0 FBADLN Cc1n[nH]c(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C[C@H]2O)c1[O-] ZINC001192257806 840906253 /nfs/dbraw/zinc/90/62/53/840906253.db2.gz PGHZUFCFEXHPBF-QJPTWQEYSA-N 0 2 353.423 -0.546 20 0 FBADLN CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192259015 840909114 /nfs/dbraw/zinc/90/91/14/840909114.db2.gz ZAVAIIKEZDNJRD-IJLUTSLNSA-N 0 2 353.423 -0.544 20 0 FBADLN CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192259015 840909108 /nfs/dbraw/zinc/90/91/08/840909108.db2.gz ZAVAIIKEZDNJRD-IJLUTSLNSA-N 0 2 353.423 -0.544 20 0 FBADLN CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192259020 840908922 /nfs/dbraw/zinc/90/89/22/840908922.db2.gz ZAVAIIKEZDNJRD-QJPTWQEYSA-N 0 2 353.423 -0.544 20 0 FBADLN CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192259020 840908914 /nfs/dbraw/zinc/90/89/14/840908914.db2.gz ZAVAIIKEZDNJRD-QJPTWQEYSA-N 0 2 353.423 -0.544 20 0 FBADLN O=C(N[C@@H]1CN(CCCNC(=O)C(F)(F)F)C[C@H]1O)c1cncnc1 ZINC001192364941 840918720 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UEILEMNUNJPNPZ-HSKWICLISA-N 0 2 363.313 -0.756 20 0 FBADLN C[C@@H]1O[C@@H](OCCNC(=O)c2cc(F)c(O)cc2F)[C@@H](O)[C@H](O)[C@@H]1O ZINC001192887213 840972963 /nfs/dbraw/zinc/97/29/63/840972963.db2.gz DQKLOVRHECWHBN-HSKWICLISA-N 0 2 363.313 -0.756 20 0 FBADLN Cn1nc(Cl)cc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001192919589 840975484 /nfs/dbraw/zinc/97/54/84/840975484.db2.gz YDQYUCNWIDKLDP-VIFPVBQESA-N 0 2 368.781 -0.271 20 0 FBADLN Cn1nc(Cl)cc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001192919589 840975479 /nfs/dbraw/zinc/97/54/79/840975479.db2.gz YDQYUCNWIDKLDP-VIFPVBQESA-N 0 2 368.781 -0.271 20 0 FBADLN Cc1nc(CCCC(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)cs1 ZINC001193005366 840987530 /nfs/dbraw/zinc/98/75/30/840987530.db2.gz KOHKXEHTGLTQBH-VXGBXAGGSA-N 0 2 366.447 -0.041 20 0 FBADLN CCOCCC1(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)CCC1 ZINC001193031942 840993428 /nfs/dbraw/zinc/99/34/28/840993428.db2.gz NDMLRSDQGORXOO-VXGBXAGGSA-N 0 2 353.423 -0.232 20 0 FBADLN CCS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001193121973 841001013 /nfs/dbraw/zinc/00/10/13/841001013.db2.gz GIOMZUIURRYCLS-BBBLOLIVSA-N 0 2 364.361 -0.127 20 0 FBADLN CCS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193121973 841001004 /nfs/dbraw/zinc/00/10/04/841001004.db2.gz GIOMZUIURRYCLS-BBBLOLIVSA-N 0 2 364.361 -0.127 20 0 FBADLN CCS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001193121974 841000669 /nfs/dbraw/zinc/00/06/69/841000669.db2.gz GIOMZUIURRYCLS-OPRDCNLKSA-N 0 2 364.361 -0.127 20 0 FBADLN CCS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193121974 841000657 /nfs/dbraw/zinc/00/06/57/841000657.db2.gz GIOMZUIURRYCLS-OPRDCNLKSA-N 0 2 364.361 -0.127 20 0 FBADLN CS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001193122446 841002290 /nfs/dbraw/zinc/00/22/90/841002290.db2.gz KLEDFAREKQVPEV-HLTSFMKQSA-N 0 2 350.334 -0.517 20 0 FBADLN CS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193122446 841002285 /nfs/dbraw/zinc/00/22/85/841002285.db2.gz KLEDFAREKQVPEV-HLTSFMKQSA-N 0 2 350.334 -0.517 20 0 FBADLN CS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001193122448 841002564 /nfs/dbraw/zinc/00/25/64/841002564.db2.gz KLEDFAREKQVPEV-IWSPIJDZSA-N 0 2 350.334 -0.517 20 0 FBADLN CS(=O)(=O)CCCN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193122448 841002559 /nfs/dbraw/zinc/00/25/59/841002559.db2.gz KLEDFAREKQVPEV-IWSPIJDZSA-N 0 2 350.334 -0.517 20 0 FBADLN O=C(CN1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1)Nc1ccon1 ZINC001193124049 841001991 /nfs/dbraw/zinc/00/19/91/841001991.db2.gz XEHWJISQPPTTHB-BRDIYROLSA-N 0 2 354.260 -0.325 20 0 FBADLN O=C(CN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1)Nc1ccon1 ZINC001193124049 841001980 /nfs/dbraw/zinc/00/19/80/841001980.db2.gz XEHWJISQPPTTHB-BRDIYROLSA-N 0 2 354.260 -0.325 20 0 FBADLN O=C(CN1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1)Nc1ccon1 ZINC001193124051 841002594 /nfs/dbraw/zinc/00/25/94/841002594.db2.gz 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ZINC001193130167 841003687 /nfs/dbraw/zinc/00/36/87/841003687.db2.gz GPOKIAVSKAGLBZ-CKYFFXLPSA-N 0 2 355.332 -0.084 20 0 FBADLN CN(CC1CC1)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001193130168 841003665 /nfs/dbraw/zinc/00/36/65/841003665.db2.gz GPOKIAVSKAGLBZ-FOGDFJRCSA-N 0 2 355.332 -0.084 20 0 FBADLN CN(CC1CC1)C(=O)CN1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001193130168 841003657 /nfs/dbraw/zinc/00/36/57/841003657.db2.gz GPOKIAVSKAGLBZ-FOGDFJRCSA-N 0 2 355.332 -0.084 20 0 FBADLN O=C(N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@H]1O)[C@@H](F)C(F)(F)F ZINC001193130173 841003425 /nfs/dbraw/zinc/00/34/25/841003425.db2.gz GVFDXSDSDRLXGN-SOCHQFKDSA-N 0 2 367.303 -0.630 20 0 FBADLN O=C(N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@H]1O)C(F)C(F)(F)F ZINC001193130173 841003415 /nfs/dbraw/zinc/00/34/15/841003415.db2.gz GVFDXSDSDRLXGN-SOCHQFKDSA-N 0 2 367.303 -0.630 20 0 FBADLN O=C(N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@H]1O)[C@H](F)C(F)(F)F ZINC001193130174 841003931 /nfs/dbraw/zinc/00/39/31/841003931.db2.gz 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