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CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)NC(=O)NCc1ccco1 ZINC000827016596 588095759 /nfs/dbraw/zinc/09/57/59/588095759.db2.gz QCBRBBFWOUFWJS-LBPRGKRZSA-N 0 2 341.364 0.415 20 0 ECADLN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)NC(=O)NCc1ccco1 ZINC000827016596 588095760 /nfs/dbraw/zinc/09/57/60/588095760.db2.gz QCBRBBFWOUFWJS-LBPRGKRZSA-N 0 2 341.364 0.415 20 0 ECADLN CCN(CC1CC[NH+](Cc2nc(CC(=O)NC)no2)CC1)C(=O)[O-] ZINC000827100012 588099943 /nfs/dbraw/zinc/09/99/43/588099943.db2.gz UEISGJRHFXMGPS-UHFFFAOYSA-N 0 2 339.396 0.570 20 0 ECADLN C[C@@H](CC(=O)[O-])C(=O)NCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000827290193 588110063 /nfs/dbraw/zinc/11/00/63/588110063.db2.gz DULPEHBNNIKVTA-LBPRGKRZSA-N 0 2 343.424 0.766 20 0 ECADLN C[C@@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)[NH+]1CCOCC1 ZINC000827469889 588122180 /nfs/dbraw/zinc/12/21/80/588122180.db2.gz KYAXGPCBZXZULB-ZDUSSCGKSA-N 0 2 327.425 0.994 20 0 ECADLN C[C@@H](CS(=O)(=O)NCc1ccc[nH+]c1N1CCOCC1)C(=O)[O-] ZINC000827563290 588128440 /nfs/dbraw/zinc/12/84/40/588128440.db2.gz LFURPKYGGTUZJK-NSHDSACASA-N 0 2 343.405 0.058 20 0 ECADLN C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000827596986 588130823 /nfs/dbraw/zinc/13/08/23/588130823.db2.gz IDQVOHLFBNXNTO-SECBINFHSA-N 0 2 334.307 0.864 20 0 ECADLN C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000827746558 588138414 /nfs/dbraw/zinc/13/84/14/588138414.db2.gz DJDQUKHHZCFISF-QWRGUYRKSA-N 0 2 345.421 0.111 20 0 ECADLN CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000828161030 588161590 /nfs/dbraw/zinc/16/15/90/588161590.db2.gz DEHVTGLZUMKHDM-AWEZNQCLSA-N 0 2 337.376 0.542 20 0 ECADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)c1c2c(nn1C)CCCC2 ZINC000828316120 588171610 /nfs/dbraw/zinc/17/16/10/588171610.db2.gz KYSCQJLKSHJNCV-UHFFFAOYSA-N 0 2 349.435 0.667 20 0 ECADLN C[C@@H](CS(=O)(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000828413174 588177284 /nfs/dbraw/zinc/17/72/84/588177284.db2.gz QNNWWRXPSCVHOZ-SDDRHHMPSA-N 0 2 336.454 0.514 20 0 ECADLN C[C@@H](CS(=O)(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000828413174 588177286 /nfs/dbraw/zinc/17/72/86/588177286.db2.gz QNNWWRXPSCVHOZ-SDDRHHMPSA-N 0 2 336.454 0.514 20 0 ECADLN C[N@@H+]1CCN(C(=O)C(=O)c2ccc(Cl)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828488809 588183202 /nfs/dbraw/zinc/18/32/02/588183202.db2.gz PWYFDQOUZDCEGW-GFCCVEGCSA-N 0 2 339.779 0.933 20 0 ECADLN C[N@H+]1CCN(C(=O)C(=O)c2ccc(Cl)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828488809 588183203 /nfs/dbraw/zinc/18/32/03/588183203.db2.gz PWYFDQOUZDCEGW-GFCCVEGCSA-N 0 2 339.779 0.933 20 0 ECADLN C[N@@H+]1CCN(C(=O)C[C@H]2OC(=O)c3ccccc32)[C@H](CNC(=O)[O-])C1 ZINC000828494198 588183785 /nfs/dbraw/zinc/18/37/85/588183785.db2.gz HZCKOQACODUDFP-BXUZGUMPSA-N 0 2 347.371 0.698 20 0 ECADLN C[N@H+]1CCN(C(=O)C[C@H]2OC(=O)c3ccccc32)[C@H](CNC(=O)[O-])C1 ZINC000828494198 588183787 /nfs/dbraw/zinc/18/37/87/588183787.db2.gz HZCKOQACODUDFP-BXUZGUMPSA-N 0 2 347.371 0.698 20 0 ECADLN C[N@@H+]1CCN(C(=O)CCCNC(=O)C(C)(C)C)[C@H](CNC(=O)[O-])C1 ZINC000828493808 588183790 /nfs/dbraw/zinc/18/37/90/588183790.db2.gz CZJLBUIHHREZCC-GFCCVEGCSA-N 0 2 342.440 0.339 20 0 ECADLN C[N@H+]1CCN(C(=O)CCCNC(=O)C(C)(C)C)[C@H](CNC(=O)[O-])C1 ZINC000828493808 588183791 /nfs/dbraw/zinc/18/37/91/588183791.db2.gz CZJLBUIHHREZCC-GFCCVEGCSA-N 0 2 342.440 0.339 20 0 ECADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1CN1C[C@@H](O)CC1=O ZINC000828495465 588183980 /nfs/dbraw/zinc/18/39/80/588183980.db2.gz XFBGWHWVKCTYEX-WFASDCNBSA-N 0 2 333.388 0.446 20 0 ECADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CN1C[C@@H](O)CC1=O ZINC000828495465 588183981 /nfs/dbraw/zinc/18/39/81/588183981.db2.gz XFBGWHWVKCTYEX-WFASDCNBSA-N 0 2 333.388 0.446 20 0 ECADLN C[N@@H+]1CCN(C(=O)CCNC(=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000828501023 588184869 /nfs/dbraw/zinc/18/48/69/588184869.db2.gz SYOLCLBCOHMOAG-LLVKDONJSA-N 0 2 344.412 0.311 20 0 ECADLN C[N@H+]1CCN(C(=O)CCNC(=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000828501023 588184870 /nfs/dbraw/zinc/18/48/70/588184870.db2.gz SYOLCLBCOHMOAG-LLVKDONJSA-N 0 2 344.412 0.311 20 0 ECADLN C[N@@H+]1CCN(C(=O)Nc2cccc(C(N)=O)c2)[C@@H](CNC(=O)[O-])C1 ZINC000828505809 588185222 /nfs/dbraw/zinc/18/52/22/588185222.db2.gz BERAYHFYFUAIAI-LBPRGKRZSA-N 0 2 335.364 0.201 20 0 ECADLN C[N@H+]1CCN(C(=O)Nc2cccc(C(N)=O)c2)[C@@H](CNC(=O)[O-])C1 ZINC000828505809 588185224 /nfs/dbraw/zinc/18/52/24/588185224.db2.gz BERAYHFYFUAIAI-LBPRGKRZSA-N 0 2 335.364 0.201 20 0 ECADLN C[N@@H+]1CCN(C(=O)c2cc3c(s2)CCOC3)[C@@H](CNC(=O)[O-])C1 ZINC000828505720 588185389 /nfs/dbraw/zinc/18/53/89/588185389.db2.gz AMLSDJRIQPHAEJ-NSHDSACASA-N 0 2 339.417 0.845 20 0 ECADLN C[N@H+]1CCN(C(=O)c2cc3c(s2)CCOC3)[C@@H](CNC(=O)[O-])C1 ZINC000828505720 588185390 /nfs/dbraw/zinc/18/53/90/588185390.db2.gz AMLSDJRIQPHAEJ-NSHDSACASA-N 0 2 339.417 0.845 20 0 ECADLN C[N@@H+]1CCN(C(=O)c2ccc(-n3cncn3)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828514349 588186596 /nfs/dbraw/zinc/18/65/96/588186596.db2.gz XTCLLPIOFRJRCI-CQSZACIVSA-N 0 2 344.375 0.291 20 0 ECADLN C[N@H+]1CCN(C(=O)c2ccc(-n3cncn3)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828514349 588186598 /nfs/dbraw/zinc/18/65/98/588186598.db2.gz XTCLLPIOFRJRCI-CQSZACIVSA-N 0 2 344.375 0.291 20 0 ECADLN CNC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[O-])c1ccccc1 ZINC000828526206 588187576 /nfs/dbraw/zinc/18/75/76/588187576.db2.gz ISXDRWIKRCGKTR-UKRRQHHQSA-N 0 2 348.403 0.322 20 0 ECADLN CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[O-])c1ccccc1 ZINC000828526206 588187578 /nfs/dbraw/zinc/18/75/78/588187578.db2.gz ISXDRWIKRCGKTR-UKRRQHHQSA-N 0 2 348.403 0.322 20 0 ECADLN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCN(C(=O)[O-])C2)nc[nH+]1 ZINC000828594253 588192064 /nfs/dbraw/zinc/19/20/64/588192064.db2.gz VYGSJGGWBLNQHX-VXGBXAGGSA-N 0 2 348.407 0.603 20 0 ECADLN CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCN(C(=O)[O-])C2)[nH+]cn1 ZINC000828594253 588192065 /nfs/dbraw/zinc/19/20/65/588192065.db2.gz VYGSJGGWBLNQHX-VXGBXAGGSA-N 0 2 348.407 0.603 20 0 ECADLN COC(=O)[C@@H]1C[N@H+](Cc2nc(C(C)(C)NC(=O)[O-])no2)C[C@@H]1C ZINC000828641001 588195415 /nfs/dbraw/zinc/19/54/15/588195415.db2.gz NLOXOQGFMGBJIV-DTWKUNHWSA-N 0 2 326.353 0.813 20 0 ECADLN COC(=O)[C@@H]1C[N@@H+](Cc2nc(C(C)(C)NC(=O)[O-])no2)C[C@@H]1C ZINC000828641001 588195418 /nfs/dbraw/zinc/19/54/18/588195418.db2.gz NLOXOQGFMGBJIV-DTWKUNHWSA-N 0 2 326.353 0.813 20 0 ECADLN COC(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])cc1 ZINC000828765327 588203495 /nfs/dbraw/zinc/20/34/95/588203495.db2.gz AOOXFQMKXINQAV-ZDUSSCGKSA-N 0 2 335.360 0.497 20 0 ECADLN COC(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])cc1 ZINC000828765327 588203496 /nfs/dbraw/zinc/20/34/96/588203496.db2.gz AOOXFQMKXINQAV-ZDUSSCGKSA-N 0 2 335.360 0.497 20 0 ECADLN COc1ccc(OC)c(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])c1 ZINC000829488286 588326726 /nfs/dbraw/zinc/32/67/26/588326726.db2.gz HBBCXYJNGYPMDI-LLVKDONJSA-N 0 2 337.376 0.728 20 0 ECADLN COc1ccc(OC)c(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])c1 ZINC000829488286 588326728 /nfs/dbraw/zinc/32/67/28/588326728.db2.gz HBBCXYJNGYPMDI-LLVKDONJSA-N 0 2 337.376 0.728 20 0 ECADLN CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000829696351 588336433 /nfs/dbraw/zinc/33/64/33/588336433.db2.gz VZONPQQJXNJCJN-GXTWGEPZSA-N 0 2 342.417 0.856 20 0 ECADLN CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000829696351 588336435 /nfs/dbraw/zinc/33/64/35/588336435.db2.gz VZONPQQJXNJCJN-GXTWGEPZSA-N 0 2 342.417 0.856 20 0 ECADLN CC[N@@H+]1CCO[C@H](C(=O)Nc2nnc(CCCC(=O)[O-])s2)C1 ZINC000829786439 588341849 /nfs/dbraw/zinc/34/18/49/588341849.db2.gz NIALCAMJDXYDLF-VIFPVBQESA-N 0 2 328.394 0.605 20 0 ECADLN CC[N@H+]1CCO[C@H](C(=O)Nc2nnc(CCCC(=O)[O-])s2)C1 ZINC000829786439 588341850 /nfs/dbraw/zinc/34/18/50/588341850.db2.gz NIALCAMJDXYDLF-VIFPVBQESA-N 0 2 328.394 0.605 20 0 ECADLN CCOC(=O)C(F)(F)[C@H](NS(=O)(=O)C[C@H](C)OC)C1CC1 ZINC000829915717 588348046 /nfs/dbraw/zinc/34/80/46/588348046.db2.gz MUSWMXYWEWXVPB-WCBMZHEXSA-N 0 2 329.365 0.918 20 0 ECADLN O=C(c1cc(F)c(F)c(O)c1F)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000830019237 588354676 /nfs/dbraw/zinc/35/46/76/588354676.db2.gz BVDSDLDPXWYPSI-CABZTGNLSA-N 0 2 344.289 0.929 20 0 ECADLN Cc1cc(NC(=O)C(C)(C)[NH+]2CCN(C(=O)[O-])CC2)c(=O)n(C)c1 ZINC000830091054 588360197 /nfs/dbraw/zinc/36/01/97/588360197.db2.gz YAZSSLRAFGEDNM-UHFFFAOYSA-N 0 2 336.392 0.706 20 0 ECADLN Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])c(C)c1 ZINC000830410017 588371831 /nfs/dbraw/zinc/37/18/31/588371831.db2.gz BEJGIQGIPHRDIH-CYBMUJFWSA-N 0 2 341.433 0.876 20 0 ECADLN Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])c(C)c1 ZINC000830410017 588371834 /nfs/dbraw/zinc/37/18/34/588371834.db2.gz BEJGIQGIPHRDIH-CYBMUJFWSA-N 0 2 341.433 0.876 20 0 ECADLN Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])cc1F ZINC000830415529 588371889 /nfs/dbraw/zinc/37/18/89/588371889.db2.gz UCYBSOSHHRIDIK-LLVKDONJSA-N 0 2 345.396 0.706 20 0 ECADLN Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])cc1F ZINC000830415529 588371891 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WZDDCYOYUVRXFX-JZLYGMAVSA-N 0 2 349.435 0.798 20 0 ECADLN COc1ccsc1C(=O)N[C@@]1(C)CCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001046791261 763126535 /nfs/dbraw/zinc/12/65/35/763126535.db2.gz RQLPDOWYZIPWAA-AWEZNQCLSA-N 0 2 337.405 0.975 20 0 ECADLN Cc1nn(C)c(F)c1C(=O)N[C@]1(C)CCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001046804702 763144055 /nfs/dbraw/zinc/14/40/55/763144055.db2.gz HKXDTPMYQVPWBJ-CQSZACIVSA-N 0 2 337.359 0.086 20 0 ECADLN C[C@]1(NC(=O)c2c[nH]c3ncccc23)CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001046843935 763212010 /nfs/dbraw/zinc/21/20/10/763212010.db2.gz HCIFMRUMXATCLT-INIZCTEOSA-N 0 2 341.375 0.781 20 0 ECADLN C[C@]1(NC(=O)c2c[nH]c3ncccc23)CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001046843935 763212021 /nfs/dbraw/zinc/21/20/21/763212021.db2.gz HCIFMRUMXATCLT-INIZCTEOSA-N 0 2 341.375 0.781 20 0 ECADLN C[C@]1(NC(=O)c2ncc3n2CCCC3)CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001046848254 763224018 /nfs/dbraw/zinc/22/40/18/763224018.db2.gz GYPDGQJBJIQDMQ-INIZCTEOSA-N 0 2 345.407 0.438 20 0 ECADLN C[C@]1(NC(=O)c2ncc3n2CCCC3)CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001046848254 763224026 /nfs/dbraw/zinc/22/40/26/763224026.db2.gz GYPDGQJBJIQDMQ-INIZCTEOSA-N 0 2 345.407 0.438 20 0 ECADLN C[C@@]1(NC(=O)[C@H]2COc3ccccc32)CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001046872577 763274226 /nfs/dbraw/zinc/27/42/26/763274226.db2.gz GMTXHENJXCUTMJ-YVEFUNNKSA-N 0 2 343.387 0.767 20 0 ECADLN C[C@@]1(NC(=O)[C@H]2COc3ccccc32)CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001046872577 763274232 /nfs/dbraw/zinc/27/42/32/763274232.db2.gz GMTXHENJXCUTMJ-YVEFUNNKSA-N 0 2 343.387 0.767 20 0 ECADLN Cc1n[nH]c(C(=O)N[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)c1[O-] ZINC001014881891 763363076 /nfs/dbraw/zinc/36/30/76/763363076.db2.gz PTNMJPLYUUDYCJ-VXGBXAGGSA-N 0 2 346.391 0.430 20 0 ECADLN Cc1n[nH]c(C(=O)N[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)c1[O-] ZINC001014881885 763363512 /nfs/dbraw/zinc/36/35/12/763363512.db2.gz PTNMJPLYUUDYCJ-NEPJUHHUSA-N 0 2 346.391 0.430 20 0 ECADLN COCc1sccc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001014937987 763504564 /nfs/dbraw/zinc/50/45/64/763504564.db2.gz PPBANWCFGPRPRJ-VIFPVBQESA-N 0 2 337.405 0.723 20 0 ECADLN COc1cncc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C2)c1C ZINC001014939635 763509046 /nfs/dbraw/zinc/50/90/46/763509046.db2.gz UZFMQINXKWBHBX-JTQLQIEISA-N 0 2 332.364 0.227 20 0 ECADLN O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014941637 763513760 /nfs/dbraw/zinc/51/37/60/763513760.db2.gz PHRKRVFNQHYJMZ-JTQLQIEISA-N 0 2 327.348 0.391 20 0 ECADLN Cn1ncc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)C(F)C(F)(F)F)n1 ZINC001017573231 768142478 /nfs/dbraw/zinc/14/24/78/768142478.db2.gz PXGQSEPHNDKJCG-OUAUKWLOSA-N 0 2 335.305 0.891 20 0 ECADLN Cn1ncc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](F)C(F)(F)F)n1 ZINC001017573231 768142479 /nfs/dbraw/zinc/14/24/79/768142479.db2.gz PXGQSEPHNDKJCG-OUAUKWLOSA-N 0 2 335.305 0.891 20 0 ECADLN C[C@H]1COc2ccc(C(=O)NCC3CN(Cc4n[nH]c(=O)[nH]4)C3)cc21 ZINC001031915962 763550319 /nfs/dbraw/zinc/55/03/19/763550319.db2.gz AHGGTBRKSYUTDZ-JTQLQIEISA-N 0 2 343.387 0.868 20 0 ECADLN NC(=O)c1cccc(C(=O)NC2CN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC000995122140 763611478 /nfs/dbraw/zinc/61/14/78/763611478.db2.gz RZMYPLQNICUFPR-JTQLQIEISA-N 0 2 347.268 0.627 20 0 ECADLN NC(=O)c1cccc(C(=O)NC2CN(C(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC000995122140 763611481 /nfs/dbraw/zinc/61/14/81/763611481.db2.gz RZMYPLQNICUFPR-JTQLQIEISA-N 0 2 347.268 0.627 20 0 ECADLN Cc1[nH]nc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[nH]3)[C@H]2C)c1C ZINC000993141521 768147918 /nfs/dbraw/zinc/14/79/18/768147918.db2.gz POYZCJJXQAWOJV-WDEREUQCSA-N 0 2 333.396 0.633 20 0 ECADLN Cc1[nH]nc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[nH]3)[C@H]2C)c1C ZINC000993141520 768147952 /nfs/dbraw/zinc/14/79/52/768147952.db2.gz POYZCJJXQAWOJV-QWRGUYRKSA-N 0 2 333.396 0.633 20 0 ECADLN CN(C)c1ccc(C(=O)NC2CN(C(=O)C(F)C(F)(F)F)C2)cn1 ZINC000995145802 763737912 /nfs/dbraw/zinc/73/79/12/763737912.db2.gz FBQNYXOBSZYBTM-NSHDSACASA-N 0 2 348.300 0.989 20 0 ECADLN CN(C)c1ccc(C(=O)NC2CN(C(=O)[C@H](F)C(F)(F)F)C2)cn1 ZINC000995145802 763737914 /nfs/dbraw/zinc/73/79/14/763737914.db2.gz FBQNYXOBSZYBTM-NSHDSACASA-N 0 2 348.300 0.989 20 0 ECADLN CCc1c(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)[C@@H]2C)nnn1CC ZINC001088853871 763739514 /nfs/dbraw/zinc/73/95/14/763739514.db2.gz UTRJYEIXVROSSG-ZJUUUORDSA-N 0 2 348.411 0.077 20 0 ECADLN O=C(NC1CN(Cc2n[nH]c(=O)[nH]2)C1)c1ccc(-c2cnco2)cc1 ZINC001030534710 763840492 /nfs/dbraw/zinc/84/04/92/763840492.db2.gz DAQBCYJRFQBMOQ-UHFFFAOYSA-N 0 2 340.343 0.780 20 0 ECADLN O=C(NCC1CN(Cc2n[nH]c(=O)[nH]2)C1)[C@H]1CCCC(F)(F)C1 ZINC001031969607 763864606 /nfs/dbraw/zinc/86/46/06/763864606.db2.gz GJVIJFISBWQBLY-JTQLQIEISA-N 0 2 329.351 0.884 20 0 ECADLN O=C(NC1CN(Cc2n[nH]c(=O)[nH]2)C1)[C@@H]1COC[C@@H]1c1ccccc1 ZINC001030557696 763945667 /nfs/dbraw/zinc/94/56/67/763945667.db2.gz GNCBANXIJPQMDT-ZIAGYGMSSA-N 0 2 343.387 0.241 20 0 ECADLN C[C@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCCN1C(=O)CCc1cnn[nH]1 ZINC001015209542 764153847 /nfs/dbraw/zinc/15/38/47/764153847.db2.gz SZAZSHVZRVYRRY-CABZTGNLSA-N 0 2 349.370 0.409 20 0 ECADLN Cn1nc(C(F)F)cc1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001015257822 764255833 /nfs/dbraw/zinc/25/58/33/764255833.db2.gz QPYDEOHFUBRILT-ZETCQYMHSA-N 0 2 341.322 0.186 20 0 ECADLN Cn1ncc(Cl)c1C(=O)NC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC000991882509 764256699 /nfs/dbraw/zinc/25/66/99/764256699.db2.gz MGFBFEWTSHRCQO-MRVPVSSYSA-N 0 2 342.680 0.915 20 0 ECADLN Cn1ncc(Cl)c1C(=O)NC1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000991882509 764256703 /nfs/dbraw/zinc/25/67/03/764256703.db2.gz MGFBFEWTSHRCQO-MRVPVSSYSA-N 0 2 342.680 0.915 20 0 ECADLN COc1cc(C(=O)NC2CN(C(=O)C(F)C(F)(F)F)C2)ncn1 ZINC000991882629 764261183 /nfs/dbraw/zinc/26/11/83/764261183.db2.gz NOABSLTVPIYUPG-SECBINFHSA-N 0 2 336.245 0.326 20 0 ECADLN COc1cc(C(=O)NC2CN(C(=O)[C@@H](F)C(F)(F)F)C2)ncn1 ZINC000991882629 764261189 /nfs/dbraw/zinc/26/11/89/764261189.db2.gz NOABSLTVPIYUPG-SECBINFHSA-N 0 2 336.245 0.326 20 0 ECADLN O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1)c1ccc2ccncc2n1 ZINC001015293918 764321647 /nfs/dbraw/zinc/32/16/47/764321647.db2.gz PFVXPDSQIVFKQU-NSHDSACASA-N 0 2 339.359 0.458 20 0 ECADLN Cc1nc(C)c(CC(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C2)s1 ZINC001015330995 764388898 /nfs/dbraw/zinc/38/88/98/764388898.db2.gz XUGHTZDERWWDPU-JTQLQIEISA-N 0 2 336.421 0.517 20 0 ECADLN Cc1nn[nH]c1C(=O)N(C)[C@H]1C[N@H+](Cc2ccc(C)cc2)C[C@@H]1O ZINC001047482487 764478577 /nfs/dbraw/zinc/47/85/77/764478577.db2.gz ZLGXJRKDTNMZIQ-GJZGRUSLSA-N 0 2 329.404 0.739 20 0 ECADLN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088926172 764499088 /nfs/dbraw/zinc/49/90/88/764499088.db2.gz LNZUAZFTXCKWLI-AXTRIDKLSA-N 0 2 347.423 0.733 20 0 ECADLN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001088926172 764499092 /nfs/dbraw/zinc/49/90/92/764499092.db2.gz LNZUAZFTXCKWLI-AXTRIDKLSA-N 0 2 347.423 0.733 20 0 ECADLN CCCc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)[C@@H]2C)no1 ZINC001088951560 764597157 /nfs/dbraw/zinc/59/71/57/764597157.db2.gz VNDGXEZOOICIEC-KOLCDFICSA-N 0 2 334.380 0.844 20 0 ECADLN CC(C)C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O ZINC001047534055 764619898 /nfs/dbraw/zinc/61/98/98/764619898.db2.gz CTIRRWDHRBECKU-NDBYEHHHSA-N 0 2 337.424 0.196 20 0 ECADLN O=C(NC1CN(C(=O)C(F)C(F)(F)F)C1)c1ccc2nncn2c1 ZINC000995404635 764670234 /nfs/dbraw/zinc/67/02/34/764670234.db2.gz UNPPMFLFYLXLDD-SNVBAGLBSA-N 0 2 345.256 0.570 20 0 ECADLN O=C(NC1CN(C(=O)[C@@H](F)C(F)(F)F)C1)c1ccc2nncn2c1 ZINC000995404635 764670236 /nfs/dbraw/zinc/67/02/36/764670236.db2.gz UNPPMFLFYLXLDD-SNVBAGLBSA-N 0 2 345.256 0.570 20 0 ECADLN O=C(N[C@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)CC1)c1cnn[n-]1 ZINC001052521259 764682077 /nfs/dbraw/zinc/68/20/77/764682077.db2.gz UKJCTPDKSHJQKK-QMMMGPOBSA-N 0 2 341.322 0.910 20 0 ECADLN O=C(N[C@H]1CCC[N@H+](Cc2nc(C(F)F)no2)CC1)c1cnn[n-]1 ZINC001052521259 764682090 /nfs/dbraw/zinc/68/20/90/764682090.db2.gz UKJCTPDKSHJQKK-QMMMGPOBSA-N 0 2 341.322 0.910 20 0 ECADLN C[C@H](c1cnccn1)[NH+]1CC(CNC(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC001032126585 764714216 /nfs/dbraw/zinc/71/42/16/764714216.db2.gz FQAFELSXOLEPSP-DGCLKSJQSA-N 0 2 341.419 0.509 20 0 ECADLN COc1cccc(OC)c1C(=O)NCC1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001032150970 764810334 /nfs/dbraw/zinc/81/03/34/764810334.db2.gz TZWMZKVSNHPRMM-UHFFFAOYSA-N 0 2 347.375 0.389 20 0 ECADLN O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1)c1ncoc1[C@@H]1CCCO1 ZINC001015520224 764874251 /nfs/dbraw/zinc/87/42/51/764874251.db2.gz RKJSVTFAVFHQEL-UWVGGRQHSA-N 0 2 348.363 0.354 20 0 ECADLN O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1)c1cnc2n1CCCC2 ZINC001015603844 765041499 /nfs/dbraw/zinc/04/14/99/765041499.db2.gz ZKVDTJKIXKQQRY-SNVBAGLBSA-N 0 2 331.380 0.047 20 0 ECADLN Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001015619249 765078042 /nfs/dbraw/zinc/07/80/42/765078042.db2.gz JMJIQUBGNZOSQT-WDEREUQCSA-N 0 2 345.407 0.054 20 0 ECADLN COc1cc(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[nH]3)C2)cc(C)n1 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Cc1coc(C(=O)N(CCO)CCNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001058457169 774219086 /nfs/dbraw/zinc/21/90/86/774219086.db2.gz IRGQYIINBSSIOC-UHFFFAOYSA-N 0 2 334.376 0.413 20 0 ECADLN Cc1cocc1C(=O)NCC1(O)CN(C(=O)C(F)C(F)(F)F)C1 ZINC001044890365 774710953 /nfs/dbraw/zinc/71/09/53/774710953.db2.gz NQUWZXIOMTZVNY-VIFPVBQESA-N 0 2 338.257 0.792 20 0 ECADLN Cc1cocc1C(=O)NCC1(O)CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001044890365 774710959 /nfs/dbraw/zinc/71/09/59/774710959.db2.gz NQUWZXIOMTZVNY-VIFPVBQESA-N 0 2 338.257 0.792 20 0 ECADLN C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CCc1nnc[nH]1)c1ncccn1 ZINC001044983252 774798369 /nfs/dbraw/zinc/79/83/69/774798369.db2.gz OYEOANWRNQADCR-OLZOCXBDSA-N 0 2 329.408 0.869 20 0 ECADLN CN(C(=O)c1ccc2c(c1)CCO2)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001043956937 775397035 /nfs/dbraw/zinc/39/70/35/775397035.db2.gz NHQUWLBYTLRUDL-UHFFFAOYSA-N 0 2 329.360 0.402 20 0 ECADLN CN(C(=O)[C@H]1CCOc2ccccc21)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001044057347 775610594 /nfs/dbraw/zinc/61/05/94/775610594.db2.gz 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CCN(C(=O)[C@@H](F)C(F)(F)F)C1CN(C(=O)c2ncn(C)n2)C1 ZINC001079900975 777047355 /nfs/dbraw/zinc/04/73/55/777047355.db2.gz DFXXORFMTLBKAO-MRVPVSSYSA-N 0 2 337.277 0.388 20 0 ECADLN CCN(C(=O)C(F)C(F)(F)F)C1CN(C(=O)[C@H]2CCOC2)C1 ZINC001079901148 777047512 /nfs/dbraw/zinc/04/75/12/777047512.db2.gz IAYHGUDJSLRMSR-WCBMZHEXSA-N 0 2 326.290 0.983 20 0 ECADLN CCN(C(=O)[C@@H](F)C(F)(F)F)C1CN(C(=O)[C@H]2CCOC2)C1 ZINC001079901148 777047514 /nfs/dbraw/zinc/04/75/14/777047514.db2.gz IAYHGUDJSLRMSR-WCBMZHEXSA-N 0 2 326.290 0.983 20 0 ECADLN C[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnc2[nH]ccc2c1 ZINC001079908129 777056214 /nfs/dbraw/zinc/05/62/14/777056214.db2.gz KONDWRQXXQSPGQ-BXKDBHETSA-N 0 2 341.375 0.589 20 0 ECADLN C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)c1cnc2[nH]ccc2c1 ZINC001079908129 777056219 /nfs/dbraw/zinc/05/62/19/777056219.db2.gz KONDWRQXXQSPGQ-BXKDBHETSA-N 0 2 341.375 0.589 20 0 ECADLN COc1cccc(C[NH+]2CC(N(C)C(=O)c3n[nH]c(=O)[n-]c3=O)C2)c1 ZINC001043231095 778017473 /nfs/dbraw/zinc/01/74/73/778017473.db2.gz RBOGCGACEGFNNY-UHFFFAOYSA-N 0 2 345.359 0.248 20 0 ECADLN CC1CC(C(=O)N2CC(O)(CNC(=O)C(F)C(F)(F)F)C2)C1 ZINC001043374778 778239416 /nfs/dbraw/zinc/23/94/16/778239416.db2.gz HZFGMPHLRHDBML-HACHORDNSA-N 0 2 326.290 0.622 20 0 ECADLN CC1CC(C(=O)N2CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001043374778 778239418 /nfs/dbraw/zinc/23/94/18/778239418.db2.gz HZFGMPHLRHDBML-HACHORDNSA-N 0 2 326.290 0.622 20 0 ECADLN CS[C@@H](C)CC(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043375124 778240269 /nfs/dbraw/zinc/24/02/69/778240269.db2.gz JBWKPGDHZWGAGS-IONNQARKSA-N 0 2 346.346 0.718 20 0 ECADLN CS[C@@H](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001043375124 778240272 /nfs/dbraw/zinc/24/02/72/778240272.db2.gz JBWKPGDHZWGAGS-IONNQARKSA-N 0 2 346.346 0.718 20 0 ECADLN O=C(NCC1(O)CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1)C(F)C(F)(F)F ZINC001043375490 778241414 /nfs/dbraw/zinc/24/14/14/778241414.db2.gz LNODGRQGXGWSEH-JLIMGVALSA-N 0 2 338.301 0.622 20 0 ECADLN O=C(NCC1(O)CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1)[C@H](F)C(F)(F)F ZINC001043375490 778241419 /nfs/dbraw/zinc/24/14/19/778241419.db2.gz LNODGRQGXGWSEH-JLIMGVALSA-N 0 2 338.301 0.622 20 0 ECADLN O=C(CCC1CC1)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043377102 778243201 /nfs/dbraw/zinc/24/32/01/778243201.db2.gz RTJCISAORGGCIC-SNVBAGLBSA-N 0 2 326.290 0.767 20 0 ECADLN O=C(CCC1CC1)N1CC(O)(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001043377102 778243208 /nfs/dbraw/zinc/24/32/08/778243208.db2.gz RTJCISAORGGCIC-SNVBAGLBSA-N 0 2 326.290 0.767 20 0 ECADLN CC(F)(F)CC(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043377725 778245032 /nfs/dbraw/zinc/24/50/32/778245032.db2.gz UQPUFKNZNQTHKF-ZETCQYMHSA-N 0 2 336.232 0.622 20 0 ECADLN CC(F)(F)CC(=O)N1CC(O)(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001043377725 778245040 /nfs/dbraw/zinc/24/50/40/778245040.db2.gz UQPUFKNZNQTHKF-ZETCQYMHSA-N 0 2 336.232 0.622 20 0 ECADLN Cc1cccnc1C(=O)N1CC(O)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001043377874 778245355 /nfs/dbraw/zinc/24/53/55/778245355.db2.gz 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/nfs/dbraw/zinc/00/12/56/755001256.db2.gz DMQFPCHTWNSOMV-JTQLQIEISA-N 0 2 331.380 0.257 20 0 ECADLN Cc1nc(C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2n[nH]c(=O)[n-]2)CC3)co1 ZINC000990376376 755051647 /nfs/dbraw/zinc/05/16/47/755051647.db2.gz QECKBGKJSHCZHU-IAQYHMDHSA-N 0 2 332.364 0.734 20 0 ECADLN Cc1nc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2n[nH]c(=O)[n-]2)CC3)co1 ZINC000990376376 755051650 /nfs/dbraw/zinc/05/16/50/755051650.db2.gz QECKBGKJSHCZHU-IAQYHMDHSA-N 0 2 332.364 0.734 20 0 ECADLN CCc1cc(C(=O)N2C[C@@H](CNC(=O)c3cnn[nH]3)C[C@@H]2C)[nH]n1 ZINC001010022706 755567519 /nfs/dbraw/zinc/56/75/19/755567519.db2.gz LMXHUZNLMYFUTC-VHSXEESVSA-N 0 2 331.380 0.371 20 0 ECADLN CCCc1cc(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)[C@@H]2C)[nH]n1 ZINC001088784953 755658153 /nfs/dbraw/zinc/65/81/53/755658153.db2.gz DFEBKBJDVFJZRF-KOLCDFICSA-N 0 2 333.396 0.579 20 0 ECADLN O=C(CN1CCCC1=O)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001010253787 755889159 /nfs/dbraw/zinc/88/91/59/755889159.db2.gz XFLOZQCRTZQPGN-LLVKDONJSA-N 0 2 339.289 0.180 20 0 ECADLN O=C(CN1CCCC1=O)N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001010253787 755889166 /nfs/dbraw/zinc/88/91/66/755889166.db2.gz XFLOZQCRTZQPGN-LLVKDONJSA-N 0 2 339.289 0.180 20 0 ECADLN O=C([C@H]1Cc2ccccc21)N1CC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076192349 756184196 /nfs/dbraw/zinc/18/41/96/756184196.db2.gz VQBNJYTZRUXKTJ-AEGPPILISA-N 0 2 339.399 0.883 20 0 ECADLN O=C([C@H]1Cc2ccccc21)N1CC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001076192349 756184199 /nfs/dbraw/zinc/18/41/99/756184199.db2.gz VQBNJYTZRUXKTJ-AEGPPILISA-N 0 2 339.399 0.883 20 0 ECADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCCCCC3)C2)c1[O-] ZINC001010625218 756319456 /nfs/dbraw/zinc/31/94/56/756319456.db2.gz GRUHHWALDWWTGW-CYBMUJFWSA-N 0 2 349.435 0.630 20 0 ECADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCCCCC3)C2)c1[O-] ZINC001010625218 756319462 /nfs/dbraw/zinc/31/94/62/756319462.db2.gz GRUHHWALDWWTGW-CYBMUJFWSA-N 0 2 349.435 0.630 20 0 ECADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CCCC3)C2)c1[O-] ZINC001010627378 756322493 /nfs/dbraw/zinc/32/24/93/756322493.db2.gz KCMRPDZVQLQGCW-GFCCVEGCSA-N 0 2 335.408 0.287 20 0 ECADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CCCC3)C2)c1[O-] ZINC001010627378 756322498 /nfs/dbraw/zinc/32/24/98/756322498.db2.gz KCMRPDZVQLQGCW-GFCCVEGCSA-N 0 2 335.408 0.287 20 0 ECADLN CC(=O)N1CC(C(=O)NCC[C@H](C)NC(=O)C(F)C(F)(F)F)C1 ZINC001076286883 756328150 /nfs/dbraw/zinc/32/81/50/756328150.db2.gz VFRFPWBHTRPQRJ-OIBJUYFYSA-N 0 2 341.305 0.376 20 0 ECADLN CC(=O)N1CC(C(=O)NCC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001076286883 756328154 /nfs/dbraw/zinc/32/81/54/756328154.db2.gz VFRFPWBHTRPQRJ-OIBJUYFYSA-N 0 2 341.305 0.376 20 0 ECADLN COc1cncc(C[N@@H+]2CC[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001010634336 756330838 /nfs/dbraw/zinc/33/08/38/756330838.db2.gz CAUUBVPXBBGFDD-SNVBAGLBSA-N 0 2 332.364 0.227 20 0 ECADLN COc1cncc(C[N@H+]2CC[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C2)n1 ZINC001010634336 756330841 /nfs/dbraw/zinc/33/08/41/756330841.db2.gz CAUUBVPXBBGFDD-SNVBAGLBSA-N 0 2 332.364 0.227 20 0 ECADLN Nc1nccnc1C(=O)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001010766424 756498395 /nfs/dbraw/zinc/49/83/95/756498395.db2.gz HOAQDYYQMFHJHE-MRVPVSSYSA-N 0 2 335.261 0.244 20 0 ECADLN Nc1nccnc1C(=O)N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001010766424 756498417 /nfs/dbraw/zinc/49/84/17/756498417.db2.gz HOAQDYYQMFHJHE-MRVPVSSYSA-N 0 2 335.261 0.244 20 0 ECADLN Cc1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C)ncn4)C[C@@H]3C2)c1[O-] ZINC001048770592 756943583 /nfs/dbraw/zinc/94/35/83/756943583.db2.gz CVYUINYRPJUICS-BETUJISGSA-N 0 2 342.403 0.726 20 0 ECADLN Cc1n[nH]c(C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)ncn4)C[C@@H]3C2)c1[O-] ZINC001048770592 756943585 /nfs/dbraw/zinc/94/35/85/756943585.db2.gz CVYUINYRPJUICS-BETUJISGSA-N 0 2 342.403 0.726 20 0 ECADLN Cn1cccc(C(=O)N2CCN(C(=O)C(F)C(F)(F)F)CC2)c1=O ZINC001011239739 757267461 /nfs/dbraw/zinc/26/74/61/757267461.db2.gz DGIBWBPKCZVJAV-JTQLQIEISA-N 0 2 349.284 0.570 20 0 ECADLN Cn1cccc(C(=O)N2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)c1=O ZINC001011239739 757267469 /nfs/dbraw/zinc/26/74/69/757267469.db2.gz DGIBWBPKCZVJAV-JTQLQIEISA-N 0 2 349.284 0.570 20 0 ECADLN CCn1cc(C(=O)N2CCN(C(=O)C(F)C(F)(F)F)CC2)nn1 ZINC001011240046 757269259 /nfs/dbraw/zinc/26/92/59/757269259.db2.gz NCGRRXILZAFSAR-VIFPVBQESA-N 0 2 337.277 0.483 20 0 ECADLN CCn1cc(C(=O)N2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)nn1 ZINC001011240046 757269263 /nfs/dbraw/zinc/26/92/63/757269263.db2.gz NCGRRXILZAFSAR-VIFPVBQESA-N 0 2 337.277 0.483 20 0 ECADLN Cc1ncc(C(=O)N2CCN(C(=O)C(F)C(F)(F)F)CC2)n1C ZINC001011240480 757271469 /nfs/dbraw/zinc/27/14/69/757271469.db2.gz VLNMTQJDKCJRFJ-SNVBAGLBSA-N 0 2 336.289 0.913 20 0 ECADLN Cc1ncc(C(=O)N2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)n1C ZINC001011240480 757271474 /nfs/dbraw/zinc/27/14/74/757271474.db2.gz VLNMTQJDKCJRFJ-SNVBAGLBSA-N 0 2 336.289 0.913 20 0 ECADLN CCn1cc(C(=O)N[C@@H](C)CCNC(=O)C(F)C(F)(F)F)nn1 ZINC001076856675 757400657 /nfs/dbraw/zinc/40/06/57/757400657.db2.gz BDFGYVNATMUCFG-CBAPKCEASA-N 0 2 339.293 0.823 20 0 ECADLN CCn1cc(C(=O)N[C@@H](C)CCNC(=O)[C@H](F)C(F)(F)F)nn1 ZINC001076856675 757400668 /nfs/dbraw/zinc/40/06/68/757400668.db2.gz BDFGYVNATMUCFG-CBAPKCEASA-N 0 2 339.293 0.823 20 0 ECADLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)NC(=O)c1c[nH]c(=O)cn1 ZINC001076857617 757402401 /nfs/dbraw/zinc/40/24/01/757402401.db2.gz URRGKBFCSIAQHK-IMTBSYHQSA-N 0 2 338.261 0.295 20 0 ECADLN C[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)NC(=O)c1c[nH]c(=O)cn1 ZINC001076857617 757402404 /nfs/dbraw/zinc/40/24/04/757402404.db2.gz URRGKBFCSIAQHK-IMTBSYHQSA-N 0 2 338.261 0.295 20 0 ECADLN CSCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001048957007 757511970 /nfs/dbraw/zinc/51/19/70/757511970.db2.gz BZYWIPGZWWYEGM-ZKWXMUAHSA-N 0 2 332.319 0.280 20 0 ECADLN CSCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](F)C(F)(F)F)C1 ZINC001048957007 757511977 /nfs/dbraw/zinc/51/19/77/757511977.db2.gz BZYWIPGZWWYEGM-ZKWXMUAHSA-N 0 2 332.319 0.280 20 0 ECADLN CN(C(=O)C(F)C(F)(F)F)[C@H]1CN(C(=O)C(C)(C)F)C[C@@H]1O ZINC001048957678 757513091 /nfs/dbraw/zinc/51/30/91/757513091.db2.gz LZIVMWQFKJGMTN-FXQIFTODSA-N 0 2 332.269 0.665 20 0 ECADLN CN(C(=O)[C@H](F)C(F)(F)F)[C@H]1CN(C(=O)C(C)(C)F)C[C@@H]1O ZINC001048957678 757513096 /nfs/dbraw/zinc/51/30/96/757513096.db2.gz LZIVMWQFKJGMTN-FXQIFTODSA-N 0 2 332.269 0.665 20 0 ECADLN Cc1[nH]c(=O)[nH]c1C(=O)NCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001076985616 757843824 /nfs/dbraw/zinc/84/38/24/757843824.db2.gz QTKNRBHTXASNTC-QMMMGPOBSA-N 0 2 334.380 0.323 20 0 ECADLN O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1O)[C@@H]1CCCc2n[nH]cc21 ZINC001076999414 757874752 /nfs/dbraw/zinc/87/47/52/757874752.db2.gz QMWCIISYDVKNNA-KBRIMQKVSA-N 0 2 341.415 0.586 20 0 ECADLN Cn1ncc(C(=O)N2C[C@@H]3CCN(C(=O)C(F)C(F)(F)F)[C@@H]3C2)n1 ZINC001021862019 757990250 /nfs/dbraw/zinc/99/02/50/757990250.db2.gz XZRALWLIHCKGJJ-SFGNSQDASA-N 0 2 349.288 0.388 20 0 ECADLN Cn1ncc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H](F)C(F)(F)F)[C@@H]3C2)n1 ZINC001021862019 757990257 /nfs/dbraw/zinc/99/02/57/757990257.db2.gz XZRALWLIHCKGJJ-SFGNSQDASA-N 0 2 349.288 0.388 20 0 ECADLN O=C(Cn1cncn1)N1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001021861659 757990306 /nfs/dbraw/zinc/99/03/06/757990306.db2.gz SDOGHTZGGTUEKB-NGZCFLSTSA-N 0 2 349.288 0.238 20 0 ECADLN O=C(Cn1cncn1)N1C[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)[C@@H]2C1 ZINC001021861659 757990311 /nfs/dbraw/zinc/99/03/11/757990311.db2.gz SDOGHTZGGTUEKB-NGZCFLSTSA-N 0 2 349.288 0.238 20 0 ECADLN O=C(c1cn[nH]n1)N1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001021861371 757990351 /nfs/dbraw/zinc/99/03/51/757990351.db2.gz NUCAGDAMJWRFMF-NBEYISGCSA-N 0 2 335.261 0.378 20 0 ECADLN O=C(c1cn[nH]n1)N1C[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)[C@@H]2C1 ZINC001021861371 757990359 /nfs/dbraw/zinc/99/03/59/757990359.db2.gz NUCAGDAMJWRFMF-NBEYISGCSA-N 0 2 335.261 0.378 20 0 ECADLN Cn1cncc1C(=O)N1CC[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]21 ZINC001022062004 758223946 /nfs/dbraw/zinc/22/39/46/758223946.db2.gz DWPIGYJWSYAYLU-JMJZKYOTSA-N 0 2 348.300 0.993 20 0 ECADLN Cn1cncc1C(=O)N1CC[C@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]21 ZINC001022062004 758223954 /nfs/dbraw/zinc/22/39/54/758223954.db2.gz DWPIGYJWSYAYLU-JMJZKYOTSA-N 0 2 348.300 0.993 20 0 ECADLN CCCCC(=O)N1CCC(OC2CN(Cc3n[nH]c(=O)[nH]3)C2)CC1 ZINC001105690456 758352969 /nfs/dbraw/zinc/35/29/69/758352969.db2.gz LWSUJADCHIJKBA-UHFFFAOYSA-N 0 2 337.424 0.892 20 0 ECADLN O=C(c1cncs1)N1CCC[C@@H]2[C@H]1CCN2Cc1n[nH]c(=O)[nH]1 ZINC001049350617 758555007 /nfs/dbraw/zinc/55/50/07/758555007.db2.gz GANRFXMPXKNGRF-NXEZZACHSA-N 0 2 334.405 0.846 20 0 ECADLN Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001049353542 758557835 /nfs/dbraw/zinc/55/78/35/758557835.db2.gz XYKCRMJHLUVLKW-RYUDHWBXSA-N 0 2 345.407 0.431 20 0 ECADLN Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2n[nH]c(=O)[n-]2)n(C)n1 ZINC001049353542 758557845 /nfs/dbraw/zinc/55/78/45/758557845.db2.gz XYKCRMJHLUVLKW-RYUDHWBXSA-N 0 2 345.407 0.431 20 0 ECADLN 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/nfs/dbraw/zinc/09/30/30/588093030.db2.gz FOJHLFULNQEABQ-ZIAGYGMSSA-N 0 2 341.452 0.983 20 0 ECADLN CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000826970871 588093032 /nfs/dbraw/zinc/09/30/32/588093032.db2.gz FOJHLFULNQEABQ-ZIAGYGMSSA-N 0 2 341.452 0.983 20 0 ECADLN CCOC(=O)C[N@@H+]1CCC[C@@H](OC(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000827313343 588111830 /nfs/dbraw/zinc/11/18/30/588111830.db2.gz NYKIQHRDMIVFLR-GHMZBOCLSA-N 0 2 346.405 0.610 20 0 ECADLN CCOC(=O)C[N@H+]1CCC[C@@H](OC(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000827313343 588111832 /nfs/dbraw/zinc/11/18/32/588111832.db2.gz NYKIQHRDMIVFLR-GHMZBOCLSA-N 0 2 346.405 0.610 20 0 ECADLN CCOC(=O)C[N@@H+]1CCC[C@H](OC(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000827313351 588111854 /nfs/dbraw/zinc/11/18/54/588111854.db2.gz NYKIQHRDMIVFLR-WDEREUQCSA-N 0 2 346.405 0.610 20 0 ECADLN CCOC(=O)C[N@H+]1CCC[C@H](OC(=O)[C@H]2CSCN2C(=O)[O-])C1 ZINC000827313351 588111855 /nfs/dbraw/zinc/11/18/55/588111855.db2.gz NYKIQHRDMIVFLR-WDEREUQCSA-N 0 2 346.405 0.610 20 0 ECADLN CCOCCC1(C(=O)NCC[NH+]2CCN(C(=O)[O-])CC2)CCC1 ZINC000827394350 588118340 /nfs/dbraw/zinc/11/83/40/588118340.db2.gz PYHXLDKPADSRJO-UHFFFAOYSA-N 0 2 327.425 0.995 20 0 ECADLN C[C@H](CS(=O)(=O)NCc1ccc[nH+]c1N1CCOCC1)C(=O)[O-] ZINC000827563288 588128326 /nfs/dbraw/zinc/12/83/26/588128326.db2.gz LFURPKYGGTUZJK-LLVKDONJSA-N 0 2 343.405 0.058 20 0 ECADLN C[C@@H](NC(=O)Nc1ccn(CC(=O)[O-])n1)[C@H](C)[NH+]1CCOCC1 ZINC000827681399 588135020 /nfs/dbraw/zinc/13/50/20/588135020.db2.gz NGVFQYMYADLSIE-MNOVXSKESA-N 0 2 325.369 0.198 20 0 ECADLN CCn1cc[nH+]c1CN1CCN(C(=O)C(C)(C)CNC(=O)[O-])CC1 ZINC000827707047 588136603 /nfs/dbraw/zinc/13/66/03/588136603.db2.gz PCKYZHXJBNJNBB-UHFFFAOYSA-N 0 2 337.424 0.841 20 0 ECADLN CN(C(=O)[O-])[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000827882417 588145371 /nfs/dbraw/zinc/14/53/71/588145371.db2.gz OBWGBLOVSFEKPM-TZMCWYRMSA-N 0 2 342.417 0.808 20 0 ECADLN CN(C(=O)[O-])[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000827882417 588145373 /nfs/dbraw/zinc/14/53/73/588145373.db2.gz OBWGBLOVSFEKPM-TZMCWYRMSA-N 0 2 342.417 0.808 20 0 ECADLN C[C@@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000828024864 588153654 /nfs/dbraw/zinc/15/36/54/588153654.db2.gz ZFZOGGMHSGFXIS-OAHLLOKOSA-N 0 2 340.401 0.825 20 0 ECADLN C[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000828024864 588153655 /nfs/dbraw/zinc/15/36/55/588153655.db2.gz ZFZOGGMHSGFXIS-OAHLLOKOSA-N 0 2 340.401 0.825 20 0 ECADLN C[C@@H]1C[C@H]([NH2+][C@H](C(=O)[O-])c2cccnc2)C(=O)N1c1cnn(C)c1 ZINC000828183595 588164073 /nfs/dbraw/zinc/16/40/73/588164073.db2.gz JKZWOOPFLVHPMI-SWHYSGLUSA-N 0 2 329.360 0.724 20 0 ECADLN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCO[C@@H](CC(=O)[O-])C1 ZINC000828251124 588167851 /nfs/dbraw/zinc/16/78/51/588167851.db2.gz CJZCHSWZLBDJML-ILXRZTDVSA-N 0 2 342.436 0.873 20 0 ECADLN C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCO[C@@H](CC(=O)[O-])C1 ZINC000828251124 588167853 /nfs/dbraw/zinc/16/78/53/588167853.db2.gz CJZCHSWZLBDJML-ILXRZTDVSA-N 0 2 342.436 0.873 20 0 ECADLN CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000828316454 588171631 /nfs/dbraw/zinc/17/16/31/588171631.db2.gz QAVCGAOFVGGXKY-ZIAGYGMSSA-N 0 2 342.440 0.786 20 0 ECADLN C[N@@H+]1CCN(C(=O)CCCNC(=O)C(C)(C)C)[C@@H](CNC(=O)[O-])C1 ZINC000828493810 588183911 /nfs/dbraw/zinc/18/39/11/588183911.db2.gz CZJLBUIHHREZCC-LBPRGKRZSA-N 0 2 342.440 0.339 20 0 ECADLN C[N@H+]1CCN(C(=O)CCCNC(=O)C(C)(C)C)[C@@H](CNC(=O)[O-])C1 ZINC000828493810 588183913 /nfs/dbraw/zinc/18/39/13/588183913.db2.gz CZJLBUIHHREZCC-LBPRGKRZSA-N 0 2 342.440 0.339 20 0 ECADLN C[N@@H+]1CCN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)[C@@H](CNC(=O)[O-])C1 ZINC000828496480 588184040 /nfs/dbraw/zinc/18/40/40/588184040.db2.gz XCLYQHZBGIJWKL-AAEUAGOBSA-N 0 2 346.387 0.523 20 0 ECADLN C[N@H+]1CCN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)[C@@H](CNC(=O)[O-])C1 ZINC000828496480 588184042 /nfs/dbraw/zinc/18/40/42/588184042.db2.gz XCLYQHZBGIJWKL-AAEUAGOBSA-N 0 2 346.387 0.523 20 0 ECADLN C[N@@H+]1CCN(C(=O)CN2Cc3ccccc3C2=O)[C@H](CNC(=O)[O-])C1 ZINC000828499878 588184055 /nfs/dbraw/zinc/18/40/55/588184055.db2.gz BGRKCLCZQRSQBT-CYBMUJFWSA-N 0 2 346.387 0.053 20 0 ECADLN C[N@H+]1CCN(C(=O)CN2Cc3ccccc3C2=O)[C@H](CNC(=O)[O-])C1 ZINC000828499878 588184056 /nfs/dbraw/zinc/18/40/56/588184056.db2.gz BGRKCLCZQRSQBT-CYBMUJFWSA-N 0 2 346.387 0.053 20 0 ECADLN C[N@@H+]1CCN(C(=O)CCNC(=O)OC(C)(C)C)[C@@H](CNC(=O)[O-])C1 ZINC000828501994 588184667 /nfs/dbraw/zinc/18/46/67/588184667.db2.gz ZULKXWWHUNCJPS-NSHDSACASA-N 0 2 344.412 0.311 20 0 ECADLN C[N@H+]1CCN(C(=O)CCNC(=O)OC(C)(C)C)[C@@H](CNC(=O)[O-])C1 ZINC000828501994 588184668 /nfs/dbraw/zinc/18/46/68/588184668.db2.gz ZULKXWWHUNCJPS-NSHDSACASA-N 0 2 344.412 0.311 20 0 ECADLN C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2F)[C@H](CNC(=O)[O-])C1 ZINC000828500881 588184848 /nfs/dbraw/zinc/18/48/48/588184848.db2.gz QJQRAQQVYPOZRJ-GFCCVEGCSA-N 0 2 327.331 0.918 20 0 ECADLN C[N@H+]1CCN(C(=O)Cc2ccc(F)cc2F)[C@H](CNC(=O)[O-])C1 ZINC000828500881 588184850 /nfs/dbraw/zinc/18/48/50/588184850.db2.gz QJQRAQQVYPOZRJ-GFCCVEGCSA-N 0 2 327.331 0.918 20 0 ECADLN C[N@@H+]1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)[C@@H](CNC(=O)[O-])C1 ZINC000828514195 588186674 /nfs/dbraw/zinc/18/66/74/588186674.db2.gz VJTMSFJTKHORFF-NSHDSACASA-N 0 2 348.359 0.041 20 0 ECADLN C[N@H+]1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)[C@@H](CNC(=O)[O-])C1 ZINC000828514195 588186676 /nfs/dbraw/zinc/18/66/76/588186676.db2.gz VJTMSFJTKHORFF-NSHDSACASA-N 0 2 348.359 0.041 20 0 ECADLN COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828606825 588192925 /nfs/dbraw/zinc/19/29/25/588192925.db2.gz FODMTZYVXMYVIR-RYUDHWBXSA-N 0 2 329.397 0.374 20 0 ECADLN COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000828606825 588192927 /nfs/dbraw/zinc/19/29/27/588192927.db2.gz FODMTZYVXMYVIR-RYUDHWBXSA-N 0 2 329.397 0.374 20 0 ECADLN CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCOC2(CCOCC2)C1)C(=O)[O-] ZINC000828719908 588201675 /nfs/dbraw/zinc/20/16/75/588201675.db2.gz SWBZLEGMOSUOGC-GXTWGEPZSA-N 0 2 328.409 0.483 20 0 ECADLN CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCOC2(CCOCC2)C1)C(=O)[O-] ZINC000828719908 588201676 /nfs/dbraw/zinc/20/16/76/588201676.db2.gz SWBZLEGMOSUOGC-GXTWGEPZSA-N 0 2 328.409 0.483 20 0 ECADLN CCC(CC)C(=O)N1CC[NH+](CCc2cn(CC(=O)[O-])nn2)CC1 ZINC000828854408 588206744 /nfs/dbraw/zinc/20/67/44/588206744.db2.gz CDPBPLBYDOXTHA-UHFFFAOYSA-N 0 2 337.424 0.486 20 0 ECADLN COCC[N@@H+]1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)C[C@@H]1C ZINC000828991529 588213591 /nfs/dbraw/zinc/21/35/91/588213591.db2.gz KIZRTIJWRBDYSD-NSHDSACASA-N 0 2 325.365 0.840 20 0 ECADLN COCC[N@H+]1CCN(C(=O)c2ccc(CNC(=O)[O-])o2)C[C@@H]1C ZINC000828991529 588213592 /nfs/dbraw/zinc/21/35/92/588213592.db2.gz KIZRTIJWRBDYSD-NSHDSACASA-N 0 2 325.365 0.840 20 0 ECADLN CS[C@H]1CC[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)[O-])CC2)C1 ZINC000829709575 588337316 /nfs/dbraw/zinc/33/73/16/588337316.db2.gz DQQVFJAKBGHEJN-NEPJUHHUSA-N 0 2 330.454 0.865 20 0 ECADLN Cc1[nH]nc2ncc(C(=O)N3CC[N@@H+](C)C[C@H]3CNC(=O)[O-])cc12 ZINC000829832859 588343674 /nfs/dbraw/zinc/34/36/74/588343674.db2.gz ANWOOFUJHARLBR-LLVKDONJSA-N 0 2 332.364 0.290 20 0 ECADLN Cc1[nH]nc2ncc(C(=O)N3CC[N@H+](C)C[C@H]3CNC(=O)[O-])cc12 ZINC000829832859 588343676 /nfs/dbraw/zinc/34/36/76/588343676.db2.gz ANWOOFUJHARLBR-LLVKDONJSA-N 0 2 332.364 0.290 20 0 ECADLN Cc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])[nH]c2c1C(=O)CCC2 ZINC000829851325 588344925 /nfs/dbraw/zinc/34/49/25/588344925.db2.gz ZPPOLGWQWBLHKR-NSHDSACASA-N 0 2 348.403 0.866 20 0 ECADLN Cc1c(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])[nH]c2c1C(=O)CCC2 ZINC000829851325 588344927 /nfs/dbraw/zinc/34/49/27/588344927.db2.gz ZPPOLGWQWBLHKR-NSHDSACASA-N 0 2 348.403 0.866 20 0 ECADLN Cc1cc2cn[nH]c2c(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])c1 ZINC000829929729 588348245 /nfs/dbraw/zinc/34/82/45/588348245.db2.gz BRLZRUXBSGIUBL-LBPRGKRZSA-N 0 2 331.376 0.895 20 0 ECADLN Cc1cc2cn[nH]c2c(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])c1 ZINC000829929729 588348247 /nfs/dbraw/zinc/34/82/47/588348247.db2.gz BRLZRUXBSGIUBL-LBPRGKRZSA-N 0 2 331.376 0.895 20 0 ECADLN Cc1cc2c[nH]nc2c(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])c1 ZINC000829929729 588348249 /nfs/dbraw/zinc/34/82/49/588348249.db2.gz BRLZRUXBSGIUBL-LBPRGKRZSA-N 0 2 331.376 0.895 20 0 ECADLN Cc1cc2c[nH]nc2c(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])c1 ZINC000829929729 588348250 /nfs/dbraw/zinc/34/82/50/588348250.db2.gz BRLZRUXBSGIUBL-LBPRGKRZSA-N 0 2 331.376 0.895 20 0 ECADLN Cc1cccn2cc(CCNC(=O)[C@H]3COCCN3C(=O)[O-])[nH+]c12 ZINC000830590539 588377333 /nfs/dbraw/zinc/37/73/33/588377333.db2.gz FTKVKZKOKIUNBJ-CYBMUJFWSA-N 0 2 332.360 0.680 20 0 ECADLN Cc1cccn2cc(CCNC(=O)COC3CN(C(=O)[O-])C3)[nH+]c12 ZINC000830590346 588377357 /nfs/dbraw/zinc/37/73/57/588377357.db2.gz CRZMDYSXGCAWRP-UHFFFAOYSA-N 0 2 332.360 0.680 20 0 ECADLN Cc1nc(SCC(=O)NCCC[NH+]2CCN(C(=O)[O-])CC2)n[nH]1 ZINC000830677994 588381735 /nfs/dbraw/zinc/38/17/35/588381735.db2.gz LEMOWAVVDPSIDG-UHFFFAOYSA-N 0 2 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