smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCn1nc(C)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1C ZINC000160170347 927072662 /nfs/dbraw/zinc/07/26/62/927072662.db2.gz UJHGFMZYZKCVCH-IBGZPJMESA-N 0 3 357.498 3.797 20 10 FHCDHN Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])cn1 ZINC000275630104 929633430 /nfs/dbraw/zinc/63/34/30/929633430.db2.gz SDYPEPXONYGIQG-RBBKRZOGSA-N 0 3 363.461 3.803 20 10 FHCDHN Cn1nc2c(c1C[N@H+](Cc1ccccc1[O-])C1CCCCC1)COCC2 ZINC000891435968 932302009 /nfs/dbraw/zinc/30/20/09/932302009.db2.gz IWNRPHYIZOSOJS-UHFFFAOYSA-N 0 3 355.482 3.533 20 10 FHCDHN Cn1nc2c(c1C[N@@H+](Cc1ccccc1[O-])C1CCCCC1)COCC2 ZINC000891435968 932302012 /nfs/dbraw/zinc/30/20/12/932302012.db2.gz IWNRPHYIZOSOJS-UHFFFAOYSA-N 0 3 355.482 3.533 20 10 FHCDHN CN(C)c1ccc(CNC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000729475128 945270454 /nfs/dbraw/zinc/27/04/54/945270454.db2.gz QLCMRROLILBHFI-QFIPXVFZSA-N 0 3 369.484 3.639 20 10 FHCDHN OC1CCN(c2ccc(CN[C@H]3CCc4cc(F)ccc43)cc2F)CC1 ZINC000151510920 939999182 /nfs/dbraw/zinc/99/91/82/939999182.db2.gz FPUZZZUGUKPWID-FQEVSTJZSA-N 0 3 358.432 3.703 20 10 FHCDHN COc1ccc(CNCc2ccc(F)cc2C(F)(F)F)c(O)c1OC ZINC000892577894 940827052 /nfs/dbraw/zinc/82/70/52/940827052.db2.gz YEJCGPHQUNQEIR-UHFFFAOYSA-N 0 3 359.319 3.857 20 10 FHCDHN CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1Cc1c(C)noc1C)c1ccccc1[O-] ZINC000377714126 941926522 /nfs/dbraw/zinc/92/65/22/941926522.db2.gz FEXRFPVIMLOBAK-BXWFABGCSA-N 0 3 361.461 3.650 20 10 FHCDHN CN(C)c1ccc(CN[C@@H]2CCCc3c2cnn3C)c(C(F)(F)F)c1 ZINC000279983909 942083860 /nfs/dbraw/zinc/08/38/60/942083860.db2.gz QPNMZSSKRRGLLT-MRXNPFEDSA-N 0 3 352.404 3.672 20 10 FHCDHN C[N@@H+](Cc1ccccc1[O-])CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001167735247 942581234 /nfs/dbraw/zinc/58/12/34/942581234.db2.gz WKCBFMINDKOJGK-UHFFFAOYSA-N 0 3 368.477 3.873 20 10 FHCDHN C[N@H+](Cc1ccccc1[O-])CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001167735247 942581238 /nfs/dbraw/zinc/58/12/38/942581238.db2.gz WKCBFMINDKOJGK-UHFFFAOYSA-N 0 3 368.477 3.873 20 10 FHCDHN Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)CCc1ccccc1 ZINC000182520119 942752556 /nfs/dbraw/zinc/75/25/56/942752556.db2.gz XRKQMUPHCUIWCX-FQEVSTJZSA-N 0 3 351.446 3.981 20 10 FHCDHN CCN(Cc1cnn(C)c1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183015499 942816808 /nfs/dbraw/zinc/81/68/08/942816808.db2.gz WUQZVCWGXZQRAR-UHFFFAOYSA-N 0 3 351.450 3.727 20 10 FHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000273742972 943026512 /nfs/dbraw/zinc/02/65/12/943026512.db2.gz MDZZMUHDJPFYFG-BSNNYGBQSA-N 0 3 353.871 3.642 20 10 FHCDHN COc1cc(C)cc(CNCc2ccc(C)cc2OC[C@H]2CCOC2)c1O ZINC000894350837 944433548 /nfs/dbraw/zinc/43/35/48/944433548.db2.gz TWDTVSJXOLDPDE-KRWDZBQOSA-N 0 3 371.477 3.723 20 10 FHCDHN COCCn1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])cn1 ZINC000294310318 945042148 /nfs/dbraw/zinc/04/21/48/945042148.db2.gz NWAWSJINXOWQOH-OAQYLSRUSA-N 0 3 365.477 3.699 20 10 FHCDHN Fc1cc(CN[C@@H](c2cccnc2)C2CCC2)ccc1N1CCOCC1 ZINC000280791647 945505230 /nfs/dbraw/zinc/50/52/30/945505230.db2.gz HMPBHAMNOCBJIX-OAQYLSRUSA-N 0 3 355.457 3.688 20 10 FHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c([O-])c1 ZINC000840759975 946180757 /nfs/dbraw/zinc/18/07/57/946180757.db2.gz PYLPCRKWADGNJH-CQSZACIVSA-N 0 3 362.420 3.666 20 10 FHCDHN CCCN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000236744740 946468313 /nfs/dbraw/zinc/46/83/13/946468313.db2.gz DRHZXNSVGRSZKW-JOCHJYFZSA-N 0 3 365.521 3.715 20 10 FHCDHN CC[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cc(Br)ccc1[O-] ZINC000278960860 948340562 /nfs/dbraw/zinc/34/05/62/948340562.db2.gz MIRIKHMVJUEICC-IUODEOHRSA-N 0 3 364.287 3.655 20 10 FHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(N(C)C)cc1 ZINC000820920013 607013883 /nfs/dbraw/zinc/01/38/83/607013883.db2.gz IXRXVLXKICPZFB-IFXJQAMLSA-N 0 3 350.470 3.735 20 10 FHCDHN CC[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(N(C)C)cc1 ZINC000820920013 607013884 /nfs/dbraw/zinc/01/38/84/607013884.db2.gz IXRXVLXKICPZFB-IFXJQAMLSA-N 0 3 350.470 3.735 20 10 FHCDHN CCOc1ccc(O)c(C[N@H+](CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825643975 608551097 /nfs/dbraw/zinc/55/10/97/608551097.db2.gz YXWDLCUPFNALNT-AWEZNQCLSA-N 0 3 367.453 3.554 20 10 FHCDHN CCOc1ccc(O)c(C[N@@H+](CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825643975 608551099 /nfs/dbraw/zinc/55/10/99/608551099.db2.gz YXWDLCUPFNALNT-AWEZNQCLSA-N 0 3 367.453 3.554 20 10 FHCDHN CCOc1ccc(O)c(C[N@H+](CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825643975 608551101 /nfs/dbraw/zinc/55/11/01/608551101.db2.gz YXWDLCUPFNALNT-AWEZNQCLSA-N 0 3 367.453 3.554 20 10 FHCDHN CCOc1ccc(O)c(C[N@@H+](CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825643975 608551103 /nfs/dbraw/zinc/55/11/03/608551103.db2.gz YXWDLCUPFNALNT-AWEZNQCLSA-N 0 3 367.453 3.554 20 10 FHCDHN CC[C@@H]([NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(N(C)C)cc1 ZINC000825139096 609250097 /nfs/dbraw/zinc/25/00/97/609250097.db2.gz BOMJEUOHTULFMX-LJQANCHMSA-N 0 3 362.481 3.663 20 10 FHCDHN CC[C@@H]([NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(N(C)C)cc1 ZINC000825139096 609250098 /nfs/dbraw/zinc/25/00/98/609250098.db2.gz BOMJEUOHTULFMX-LJQANCHMSA-N 0 3 362.481 3.663 20 10 FHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000125699890 937327265 /nfs/dbraw/zinc/32/72/65/937327265.db2.gz UFLCATNWZLDZIP-MRXNPFEDSA-N 0 3 360.523 3.538 20 10 FHCDHN CN(C)c1ccc([C@H](CNC(=O)c2sccc2C(F)F)N(C)C)cc1 ZINC000891247267 930529090 /nfs/dbraw/zinc/52/90/90/930529090.db2.gz SFTXOJNDEADYGK-HNNXBMFYSA-N 0 3 367.465 3.784 20 10 FHCDHN COc1ccc([C@@H]2CCCN2Cc2ccc(OC)c(OC)c2O)cc1OC ZINC000891552638 932747325 /nfs/dbraw/zinc/74/73/25/932747325.db2.gz CSNKNNMYFRCHEY-INIZCTEOSA-N 0 3 373.449 3.764 20 10 FHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)Cc3ccc([S@@](C)=O)cc3)c2c1 ZINC000176125250 933750726 /nfs/dbraw/zinc/75/07/26/933750726.db2.gz BYLPZXBBRIEMAX-AREMUKBSSA-N 0 3 369.486 3.923 20 10 FHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)Cc3ccc([S@@](C)=O)cc3)c2c1 ZINC000176125250 933750730 /nfs/dbraw/zinc/75/07/30/933750730.db2.gz BYLPZXBBRIEMAX-AREMUKBSSA-N 0 3 369.486 3.923 20 10 FHCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)cc1 ZINC000157703592 935156872 /nfs/dbraw/zinc/15/68/72/935156872.db2.gz FMCLSUAYKWKAGJ-MSOLQXFVSA-N 0 3 368.525 3.614 20 10 FHCDHN COc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1C ZINC000161815539 938344268 /nfs/dbraw/zinc/34/42/68/938344268.db2.gz AVBOJJYUQJGROA-INIZCTEOSA-N 0 3 358.457 3.830 20 10 FHCDHN COc1ccc(CN[C@H](c2nc3ccccc3[nH]2)C(C)C)c(O)c1OC ZINC000892720540 941448653 /nfs/dbraw/zinc/44/86/53/941448653.db2.gz MEQQKIWHJJWCNF-KRWDZBQOSA-N 0 3 355.438 3.773 20 10 FHCDHN CC[C@H](c1ccccc1O)N1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000377693515 941907439 /nfs/dbraw/zinc/90/74/39/941907439.db2.gz GSPOGRPMQYILRO-HZPDHXFCSA-N 0 3 365.437 3.911 20 10 FHCDHN CC[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(C)cc1[O-] ZINC000280058352 942094347 /nfs/dbraw/zinc/09/43/47/942094347.db2.gz KDGHZFUWBMRGBG-OAQYLSRUSA-N 0 3 354.494 3.774 20 10 FHCDHN CC[C@@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1ccc(C)cc1[O-] ZINC000280062239 942094697 /nfs/dbraw/zinc/09/46/97/942094697.db2.gz KMEWPBFXAQQDKP-QUCCMNQESA-N 0 3 365.477 3.580 20 10 FHCDHN CC[C@H]1Oc2cc([C@H](C)NCc3ccc(N(C)C)cc3)ccc2NC1=O ZINC000271966829 943076315 /nfs/dbraw/zinc/07/63/15/943076315.db2.gz IBLVTJJQNDVUEX-IFXJQAMLSA-N 0 3 353.466 3.713 20 10 FHCDHN CN(C)C(=O)CC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000272985942 943255805 /nfs/dbraw/zinc/25/58/05/943255805.db2.gz YTJRBPAYDZJZCD-UHFFFAOYSA-N 0 3 352.478 3.750 20 10 FHCDHN Cc1ccc([C@H](C)[NH2+]CCc2ccc(OCC(F)(F)F)nc2)c([O-])c1 ZINC000186744128 943363971 /nfs/dbraw/zinc/36/39/71/943363971.db2.gz IMJLBWSWCFUPAG-ZDUSSCGKSA-N 0 3 354.372 3.930 20 10 FHCDHN COc1cc(Br)cc(C[NH2+][C@@H](C)COc2ccccc2)c1[O-] ZINC000728781907 944055606 /nfs/dbraw/zinc/05/56/06/944055606.db2.gz IIJLGTVJXOSZIN-LBPRGKRZSA-N 0 3 366.255 3.720 20 10 FHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001167982695 944555046 /nfs/dbraw/zinc/55/50/46/944555046.db2.gz FWLTYAZSXMXXKQ-XYJFISCASA-N 0 3 373.415 3.873 20 10 FHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001167982695 944555051 /nfs/dbraw/zinc/55/50/51/944555051.db2.gz FWLTYAZSXMXXKQ-XYJFISCASA-N 0 3 373.415 3.873 20 10 FHCDHN CCCC[C@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1[O-] ZINC001271241562 945557612 /nfs/dbraw/zinc/55/76/12/945557612.db2.gz GBCDMSSHYKBJLX-YESZJQIVSA-N 0 3 360.498 3.603 20 10 FHCDHN CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1[O-] ZINC001271241562 945557618 /nfs/dbraw/zinc/55/76/18/945557618.db2.gz GBCDMSSHYKBJLX-YESZJQIVSA-N 0 3 360.498 3.603 20 10 FHCDHN CC(C)COc1ccccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000127216569 946614263 /nfs/dbraw/zinc/61/42/63/946614263.db2.gz YCDRRBWGJSYMCQ-UHFFFAOYSA-N 0 3 354.494 3.848 20 10 FHCDHN CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H](C)c2cc(C)ccc2O)c1 ZINC000840842721 946932710 /nfs/dbraw/zinc/93/27/10/946932710.db2.gz YKLHPBNFNSZJNO-ZDUSSCGKSA-N 0 3 367.898 3.998 20 10 FHCDHN CN(Cc1c[nH]nc1-c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000121300461 947326731 /nfs/dbraw/zinc/32/67/31/947326731.db2.gz IBUHBLCWVUUMHS-UHFFFAOYSA-N 0 3 362.477 3.545 20 10 FHCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)c1ccccc1[O-] ZINC000760034198 947580599 /nfs/dbraw/zinc/58/05/99/947580599.db2.gz LTOVLLBKXIBBPW-ZFWWWQNUSA-N 0 3 364.283 3.657 20 10 FHCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)c1ccccc1[O-] ZINC000760040358 948299823 /nfs/dbraw/zinc/29/98/23/948299823.db2.gz JLMJYWLKHDBTBH-ZFWWWQNUSA-N 0 3 364.283 3.657 20 10 FHCDHN COc1cccc(CN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c1O ZINC000161484470 936357709 /nfs/dbraw/zinc/35/77/09/936357709.db2.gz HXQKAHODRNGWLW-UHFFFAOYSA-N 0 3 360.429 3.779 20 10 FHCDHN CCOc1ccc(O)c(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000160199653 927229842 /nfs/dbraw/zinc/22/98/42/927229842.db2.gz LIKVQEOZRBPCKR-LJQANCHMSA-N 0 3 357.450 3.678 20 10 FHCDHN CCOc1ccc(O)c(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000160199653 927229850 /nfs/dbraw/zinc/22/98/50/927229850.db2.gz LIKVQEOZRBPCKR-LJQANCHMSA-N 0 3 357.450 3.678 20 10 FHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccsc2C(F)F)N(C)C)cc1 ZINC000891243697 930503779 /nfs/dbraw/zinc/50/37/79/930503779.db2.gz TWESMOFCQLRXQT-HNNXBMFYSA-N 0 3 367.465 3.784 20 10 FHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cscc2Cl)N(C)C)cc1 ZINC000891248248 930533237 /nfs/dbraw/zinc/53/32/37/930533237.db2.gz XEPUEFFULCLWIS-INIZCTEOSA-N 0 3 351.903 3.500 20 10 FHCDHN CCN1CCN(c2cccc(NC(=O)c3cccc4ccncc43)c2)CC1 ZINC000843579528 932833853 /nfs/dbraw/zinc/83/38/53/932833853.db2.gz UKARCRPXWSZMLI-UHFFFAOYSA-N 0 3 360.461 3.629 20 10 FHCDHN CC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccccc1[O-] ZINC000277017201 934454436 /nfs/dbraw/zinc/45/44/36/934454436.db2.gz CTNOJHFXZPFEEV-OAHLLOKOSA-N 0 3 353.871 3.690 20 10 FHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000157060841 935017403 /nfs/dbraw/zinc/01/74/03/935017403.db2.gz RPFPJTZSRHYPEQ-OAHLLOKOSA-N 0 3 369.465 3.590 20 10 FHCDHN CCOc1cccc(CNCc2cc(C)cc(OC)c2O)c1OC(F)F ZINC000894328308 945073744 /nfs/dbraw/zinc/07/37/44/945073744.db2.gz AWFAVTICLLCFFI-UHFFFAOYSA-N 0 3 367.392 3.999 20 10 FHCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(Cc2nccn2C(C)C)CC1 ZINC000377693521 941907689 /nfs/dbraw/zinc/90/76/89/941907689.db2.gz GULAYPATZWQBNJ-LJQANCHMSA-N 0 3 356.514 3.829 20 10 FHCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(Cc2nccn2C(C)C)CC1 ZINC000377693521 941907692 /nfs/dbraw/zinc/90/76/92/941907692.db2.gz GULAYPATZWQBNJ-LJQANCHMSA-N 0 3 356.514 3.829 20 10 FHCDHN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(C)c(C)c2O)s1 ZINC000280191430 942123646 /nfs/dbraw/zinc/12/36/46/942123646.db2.gz SFHPPWQLBWSDCV-CYBMUJFWSA-N 0 3 353.509 3.715 20 10 FHCDHN CN(C)c1ccc(CNCc2ccc(NC(N)=O)cc2)c(C(F)(F)F)c1 ZINC000280092331 942609440 /nfs/dbraw/zinc/60/94/40/942609440.db2.gz ZDUKPVFZHJEHRR-UHFFFAOYSA-N 0 3 366.387 3.552 20 10 FHCDHN C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccc(F)cc1[O-] ZINC000273449282 942959436 /nfs/dbraw/zinc/95/94/36/942959436.db2.gz FRXRFBYWCNLISE-CQSZACIVSA-N 0 3 358.461 3.630 20 10 FHCDHN COc1ccc(O)c([C@H](C)N[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000273497331 942971757 /nfs/dbraw/zinc/97/17/57/942971757.db2.gz PLGURRBSOVXBHP-ZBEGNZNMSA-N 0 3 366.255 3.548 20 10 FHCDHN COc1cc(C)cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1O ZINC000894579841 944285677 /nfs/dbraw/zinc/28/56/77/944285677.db2.gz PQQDZJKHBSLKBG-UHFFFAOYSA-N 0 3 370.327 3.926 20 10 FHCDHN CC[C@@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1[O-] ZINC000364356400 944453400 /nfs/dbraw/zinc/45/34/00/944453400.db2.gz QQIJMWCGPNTFET-SJLPKXTDSA-N 0 3 366.440 3.846 20 10 FHCDHN COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297754081 944926445 /nfs/dbraw/zinc/92/64/45/944926445.db2.gz ONRSUSDEUSEIRY-AWEZNQCLSA-N 0 3 360.841 3.660 20 10 FHCDHN CC(C)N1CCN(c2cccc(NC(=O)c3c(F)cccc3F)c2)CC1 ZINC000162981019 948112923 /nfs/dbraw/zinc/11/29/23/948112923.db2.gz PWJOCLNKPPFPMA-UHFFFAOYSA-N 0 3 359.420 3.748 20 10 FHCDHN CC(C)n1nccc1CNC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000365430635 568664092 /nfs/dbraw/zinc/66/40/92/568664092.db2.gz OYUVINRMMFXFSS-UHFFFAOYSA-N 0 3 364.440 3.824 20 10 FHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(N(C)C)cc1 ZINC000820920015 607014531 /nfs/dbraw/zinc/01/45/31/607014531.db2.gz IXRXVLXKICPZFB-LIRRHRJNSA-N 0 3 350.470 3.735 20 10 FHCDHN CC[C@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(N(C)C)cc1 ZINC000820920015 607014533 /nfs/dbraw/zinc/01/45/33/607014533.db2.gz IXRXVLXKICPZFB-LIRRHRJNSA-N 0 3 350.470 3.735 20 10 FHCDHN Oc1ccccc1C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)C1CCCC1 ZINC000826511259 608695331 /nfs/dbraw/zinc/69/53/31/608695331.db2.gz IOATVSFGPKQXCW-UHFFFAOYSA-N 0 3 355.467 3.579 20 10 FHCDHN Oc1ccccc1C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)C1CCCC1 ZINC000826511259 608695333 /nfs/dbraw/zinc/69/53/33/608695333.db2.gz IOATVSFGPKQXCW-UHFFFAOYSA-N 0 3 355.467 3.579 20 10 FHCDHN [O-]c1ccccc1C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCCO1 ZINC000160177606 927103992 /nfs/dbraw/zinc/10/39/92/927103992.db2.gz ZPBFOKQLLDHKHC-FQEVSTJZSA-N 0 3 363.461 3.964 20 10 FHCDHN [O-]c1ccccc1C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCCO1 ZINC000160177606 927103998 /nfs/dbraw/zinc/10/39/98/927103998.db2.gz ZPBFOKQLLDHKHC-FQEVSTJZSA-N 0 3 363.461 3.964 20 10 FHCDHN [O-]c1ccccc1C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCCO1 ZINC000160177785 927104395 /nfs/dbraw/zinc/10/43/95/927104395.db2.gz ZPBFOKQLLDHKHC-HXUWFJFHSA-N 0 3 363.461 3.964 20 10 FHCDHN [O-]c1ccccc1C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCCO1 ZINC000160177785 927104399 /nfs/dbraw/zinc/10/43/99/927104399.db2.gz ZPBFOKQLLDHKHC-HXUWFJFHSA-N 0 3 363.461 3.964 20 10 FHCDHN COCCOc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000160200681 927224291 /nfs/dbraw/zinc/22/42/91/927224291.db2.gz GRWTUFVDSUWQJC-NRFANRHFSA-N 0 3 371.477 3.599 20 10 FHCDHN COCCOc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000160200681 927224306 /nfs/dbraw/zinc/22/43/06/927224306.db2.gz GRWTUFVDSUWQJC-NRFANRHFSA-N 0 3 371.477 3.599 20 10 FHCDHN CC[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(Br)ccc1[O-] ZINC000274915379 929033870 /nfs/dbraw/zinc/03/38/70/929033870.db2.gz OACWHYOJEKLLKL-UONOGXRCSA-N 0 3 350.260 3.996 20 10 FHCDHN COc1cc(O)c(CN2CC[C@@H](Oc3ccccc3Cl)C2)cc1OC ZINC000160476570 930582697 /nfs/dbraw/zinc/58/26/97/930582697.db2.gz KMJGTTQFUWAGGF-CQSZACIVSA-N 0 3 363.841 3.716 20 10 FHCDHN CC[C@@H]([NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1)c1ccccc1[O-] ZINC000155792974 930886643 /nfs/dbraw/zinc/88/66/43/930886643.db2.gz AJCAQTQVYMBTKI-LJQANCHMSA-N 0 3 357.498 3.950 20 10 FHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000276997800 934431932 /nfs/dbraw/zinc/43/19/32/934431932.db2.gz JFOBRSHFVUFJAH-UHFFFAOYSA-N 0 3 360.461 3.608 20 10 FHCDHN CCCOc1ccc(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)c([O-])c1 ZINC000277635114 935763683 /nfs/dbraw/zinc/76/36/83/935763683.db2.gz LIXMMMFDSLOHON-LJQANCHMSA-N 0 3 367.449 3.946 20 10 FHCDHN COc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccc1C ZINC000161815679 938344379 /nfs/dbraw/zinc/34/43/79/938344379.db2.gz AVBOJJYUQJGROA-MRXNPFEDSA-N 0 3 358.457 3.830 20 10 FHCDHN O=C(Nc1cccc(Cl)c1)N1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000179566001 939889800 /nfs/dbraw/zinc/88/98/00/939889800.db2.gz LYBWUDPMEBKUFU-UHFFFAOYSA-N 0 3 359.857 3.785 20 10 FHCDHN O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000179566001 939889803 /nfs/dbraw/zinc/88/98/03/939889803.db2.gz LYBWUDPMEBKUFU-UHFFFAOYSA-N 0 3 359.857 3.785 20 10 FHCDHN COc1ccc(CNCc2ccccc2OC(F)(F)F)c(O)c1OC ZINC000892473013 939902922 /nfs/dbraw/zinc/90/29/22/939902922.db2.gz GKJHAPMTVVFODY-UHFFFAOYSA-N 0 3 357.328 3.598 20 10 FHCDHN O=C1CCCCCN1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725841408 939955252 /nfs/dbraw/zinc/95/52/52/939955252.db2.gz FSZCMUDDOVQUDY-UHFFFAOYSA-N 0 3 352.478 3.942 20 10 FHCDHN C[C@@H](N[C@@H](CO)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000181395783 941152365 /nfs/dbraw/zinc/15/23/65/941152365.db2.gz GMRAFMHJNWUSLR-ACJLOTCBSA-N 0 3 363.299 3.899 20 10 FHCDHN CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000311272794 941163493 /nfs/dbraw/zinc/16/34/93/941163493.db2.gz XWGBLPQIWJJRPJ-UHFFFAOYSA-N 0 3 360.429 3.846 20 10 FHCDHN CC[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(C)cc1[O-] ZINC000280277982 942156115 /nfs/dbraw/zinc/15/61/15/942156115.db2.gz YGXJNQQAYRXNDW-APWZRJJASA-N 0 3 355.482 3.562 20 10 FHCDHN COc1ccc(CNCc2ccc(C)cc2OCC2CC2)c(O)c1OC ZINC000893164965 942291583 /nfs/dbraw/zinc/29/15/83/942291583.db2.gz XIGFHDWDLAGVNE-UHFFFAOYSA-N 0 3 357.450 3.796 20 10 FHCDHN CC(C)(C)OC(=O)NCc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000312212095 942913679 /nfs/dbraw/zinc/91/36/79/942913679.db2.gz XCHYWTJRXOTTRL-UHFFFAOYSA-N 0 3 368.477 3.936 20 10 FHCDHN CC[C@H]1Oc2cc([C@@H](C)NCc3ccc(N(C)C)cc3)ccc2NC1=O ZINC000271966828 943076446 /nfs/dbraw/zinc/07/64/46/943076446.db2.gz IBLVTJJQNDVUEX-AUUYWEPGSA-N 0 3 353.466 3.713 20 10 FHCDHN CCC[C@@H](NCc1ccc(N2CCN(CC)CC2)c(F)c1)c1cccnc1 ZINC000185393561 943159147 /nfs/dbraw/zinc/15/91/47/943159147.db2.gz XFHCMFVWIFTJGH-OAQYLSRUSA-N 0 3 370.516 3.994 20 10 FHCDHN CCN(CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)CC(F)(F)F ZINC001167984716 945044024 /nfs/dbraw/zinc/04/40/24/945044024.db2.gz WKWZIOSNJPGVMM-KRWDZBQOSA-N 0 3 374.447 3.648 20 10 FHCDHN CCN(CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1)CC(F)(F)F ZINC001167984716 945044035 /nfs/dbraw/zinc/04/40/35/945044035.db2.gz WKWZIOSNJPGVMM-KRWDZBQOSA-N 0 3 374.447 3.648 20 10 FHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)c1[O-] ZINC000278983590 948364157 /nfs/dbraw/zinc/36/41/57/948364157.db2.gz PEONLVWJGJTCFR-STQMWFEESA-N 0 3 364.287 3.573 20 10 FHCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821220473 607355909 /nfs/dbraw/zinc/35/59/09/607355909.db2.gz ASPZDUAHIJYHCC-HNNXBMFYSA-N 0 3 350.470 3.516 20 10 FHCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821220473 607355911 /nfs/dbraw/zinc/35/59/11/607355911.db2.gz ASPZDUAHIJYHCC-HNNXBMFYSA-N 0 3 350.470 3.516 20 10 FHCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821220473 607355913 /nfs/dbraw/zinc/35/59/13/607355913.db2.gz ASPZDUAHIJYHCC-HNNXBMFYSA-N 0 3 350.470 3.516 20 10 FHCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821220473 607355915 /nfs/dbraw/zinc/35/59/15/607355915.db2.gz ASPZDUAHIJYHCC-HNNXBMFYSA-N 0 3 350.470 3.516 20 10 FHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820431983 599396146 /nfs/dbraw/zinc/39/61/46/599396146.db2.gz JSQQWBHQRMINGE-MRXNPFEDSA-N 0 3 362.481 3.708 20 10 FHCDHN C[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820431983 599396150 /nfs/dbraw/zinc/39/61/50/599396150.db2.gz JSQQWBHQRMINGE-MRXNPFEDSA-N 0 3 362.481 3.708 20 10 FHCDHN C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(N2CCCCC2)cc1 ZINC000821611043 607387345 /nfs/dbraw/zinc/38/73/45/607387345.db2.gz OQBLYBRITFSHHJ-UHFFFAOYSA-N 0 3 368.510 3.551 20 10 FHCDHN C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(N2CCCCC2)cc1 ZINC000821611043 607387347 /nfs/dbraw/zinc/38/73/47/607387347.db2.gz OQBLYBRITFSHHJ-UHFFFAOYSA-N 0 3 368.510 3.551 20 10 FHCDHN Oc1ccccc1C[N@H+](Cc1cc(F)ccc1-c1nnn[n-]1)C1CCCC1 ZINC000823733388 607067170 /nfs/dbraw/zinc/06/71/70/607067170.db2.gz WGUGNJQWHSNILN-UHFFFAOYSA-N 0 3 367.428 3.656 20 10 FHCDHN Oc1ccccc1C[N@@H+](Cc1cc(F)ccc1-c1nnn[n-]1)C1CCCC1 ZINC000823733388 607067172 /nfs/dbraw/zinc/06/71/72/607067172.db2.gz WGUGNJQWHSNILN-UHFFFAOYSA-N 0 3 367.428 3.656 20 10 FHCDHN CC[C@H]([NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(N(C)C)cc1 ZINC000825139095 609250102 /nfs/dbraw/zinc/25/01/02/609250102.db2.gz BOMJEUOHTULFMX-IBGZPJMESA-N 0 3 362.481 3.663 20 10 FHCDHN CC[C@H]([NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(N(C)C)cc1 ZINC000825139095 609250103 /nfs/dbraw/zinc/25/01/03/609250103.db2.gz BOMJEUOHTULFMX-IBGZPJMESA-N 0 3 362.481 3.663 20 10 FHCDHN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000274759382 928018073 /nfs/dbraw/zinc/01/80/73/928018073.db2.gz JOROYRXUVZHMMX-CVEARBPZSA-N 0 3 360.523 3.958 20 10 FHCDHN Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000275642136 929681590 /nfs/dbraw/zinc/68/15/90/929681590.db2.gz TVDPRBCCIQVOMR-FPOVZHCZSA-N 0 3 363.461 3.803 20 10 FHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccsc2Cl)N(C)C)cc1 ZINC000891246410 930518677 /nfs/dbraw/zinc/51/86/77/930518677.db2.gz NKXCLYLSMWAODW-OAHLLOKOSA-N 0 3 351.903 3.500 20 10 FHCDHN CCOC(CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-])OCC ZINC000276464745 932460946 /nfs/dbraw/zinc/46/09/46/932460946.db2.gz CTFAZWDYUBLSCL-LBPRGKRZSA-N 0 3 360.292 3.903 20 10 FHCDHN CCc1nc(C)c([C@H](C)N(C)Cc2ccc(OC)c(OC)c2O)s1 ZINC000892102654 935001008 /nfs/dbraw/zinc/00/10/08/935001008.db2.gz FKEGAUZCVHQMRB-LBPRGKRZSA-N 0 3 350.484 3.930 20 10 FHCDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1[O-] ZINC000277812828 935969804 /nfs/dbraw/zinc/96/98/04/935969804.db2.gz YHHFZQKDUFMEMO-UHFFFAOYSA-N 0 3 374.289 3.701 20 10 FHCDHN Cc1cc(Cl)cc(CNCc2ccc(S(C)(=O)=O)c(Cl)c2)c1O ZINC000277812828 935969807 /nfs/dbraw/zinc/96/98/07/935969807.db2.gz YHHFZQKDUFMEMO-UHFFFAOYSA-N 0 3 374.289 3.701 20 10 FHCDHN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)N3CCCCC3)ccc21 ZINC000728517666 936026308 /nfs/dbraw/zinc/02/63/08/936026308.db2.gz UDPYVQWAPPWPKZ-INIZCTEOSA-N 0 3 371.525 3.509 20 10 FHCDHN COc1cc(C)cc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)c1O ZINC000894369129 945162428 /nfs/dbraw/zinc/16/24/28/945162428.db2.gz RMSQKCRQHKSBDP-HNNXBMFYSA-N 0 3 355.356 3.551 20 10 FHCDHN COc1ccc(N2CCCN(Cc3nc4ccccc4nc3C)CC2)cc1 ZINC000052465298 938316320 /nfs/dbraw/zinc/31/63/20/938316320.db2.gz RYKVKCKNWFWOSI-UHFFFAOYSA-N 0 3 362.477 3.659 20 10 FHCDHN C[C@@H](N[C@H]1CCc2c1cccc2O)c1ccc(N2CCOCC2)c(F)c1 ZINC000130650671 938426271 /nfs/dbraw/zinc/42/62/71/938426271.db2.gz HTAHSINCUYVQPX-KUHUBIRLSA-N 0 3 356.441 3.706 20 10 FHCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccnn1-c1ccccc1 ZINC000281162038 939001706 /nfs/dbraw/zinc/00/17/06/939001706.db2.gz HGBLRKKBSRVUHZ-GOSISDBHSA-N 0 3 362.477 3.560 20 10 FHCDHN C[N@H+](Cc1cc(Cl)ccc1[O-])C1CCN(CCc2ccncc2)CC1 ZINC000377924173 942073476 /nfs/dbraw/zinc/07/34/76/942073476.db2.gz RQSCTSKRKOPYSG-UHFFFAOYSA-N 0 3 359.901 3.580 20 10 FHCDHN C[N@@H+](Cc1cc(Cl)ccc1[O-])C1CCN(CCc2ccncc2)CC1 ZINC000377924173 942073480 /nfs/dbraw/zinc/07/34/80/942073480.db2.gz RQSCTSKRKOPYSG-UHFFFAOYSA-N 0 3 359.901 3.580 20 10 FHCDHN CC[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(C)cc1[O-] ZINC000280128272 942115935 /nfs/dbraw/zinc/11/59/35/942115935.db2.gz OTGRUCVRHIPREQ-LJQANCHMSA-N 0 3 356.466 3.894 20 10 FHCDHN C[C@@H](c1ccccc1)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1[O-] ZINC000179649007 942264137 /nfs/dbraw/zinc/26/41/37/942264137.db2.gz SWHXBVRBGIXEQK-INIZCTEOSA-N 0 3 366.421 3.760 20 10 FHCDHN C[C@@H](c1ccccc1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1[O-] ZINC000179649007 942264141 /nfs/dbraw/zinc/26/41/41/942264141.db2.gz SWHXBVRBGIXEQK-INIZCTEOSA-N 0 3 366.421 3.760 20 10 FHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000378488364 942815675 /nfs/dbraw/zinc/81/56/75/942815675.db2.gz ALMHAUJOMVYJLM-KRWDZBQOSA-N 0 3 370.472 3.619 20 10 FHCDHN C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000185130589 943104477 /nfs/dbraw/zinc/10/44/77/943104477.db2.gz ORQPHALPYLXSEJ-RISCZKNCSA-N 0 3 373.346 3.641 20 10 FHCDHN CCN1CCN(c2ccc(CNCc3ccc(C)c(OC)c3)cc2F)CC1 ZINC000194301343 944649085 /nfs/dbraw/zinc/64/90/85/944649085.db2.gz JUWUJLRSPOXJRH-UHFFFAOYSA-N 0 3 371.500 3.574 20 10 FHCDHN C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1ccccc1[O-] ZINC000760032543 946945973 /nfs/dbraw/zinc/94/59/73/946945973.db2.gz GSOGUTGRJCLMIJ-UONOGXRCSA-N 0 3 364.283 3.657 20 10 FHCDHN COc1cc(Br)cc(C[NH2+]C[C@@H](C)CC(F)(F)F)c1[O-] ZINC000840964881 947083537 /nfs/dbraw/zinc/08/35/37/947083537.db2.gz WXBIYXRZKLZOPG-QMMMGPOBSA-N 0 3 356.182 3.841 20 10 FHCDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000275530718 523563402 /nfs/dbraw/zinc/56/34/02/523563402.db2.gz LXIFOCXDKOIXEH-PMACEKPBSA-N 0 3 354.498 3.513 20 10 FHCDHN CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000328646977 571326000 /nfs/dbraw/zinc/32/60/00/571326000.db2.gz SZMNPRZLNBQWCB-FCHUYYIVSA-N 0 3 368.525 3.903 20 10 FHCDHN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)c1O ZINC000740095571 601093042 /nfs/dbraw/zinc/09/30/42/601093042.db2.gz BSMGYCYKFRSZGQ-INIZCTEOSA-N 0 3 368.477 3.551 20 10 FHCDHN O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@@H](CN3CCCCC3)C2)c1O ZINC000740095571 601093045 /nfs/dbraw/zinc/09/30/45/601093045.db2.gz BSMGYCYKFRSZGQ-INIZCTEOSA-N 0 3 368.477 3.551 20 10 FHCDHN CC[C@@H]([NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC000820921522 607086961 /nfs/dbraw/zinc/08/69/61/607086961.db2.gz ZBRBZHYTHXZLRE-AUUYWEPGSA-N 0 3 350.470 3.735 20 10 FHCDHN CC[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC000820921522 607086963 /nfs/dbraw/zinc/08/69/63/607086963.db2.gz ZBRBZHYTHXZLRE-AUUYWEPGSA-N 0 3 350.470 3.735 20 10 FHCDHN COc1cc(O)c(CN2CCC(Oc3ccc(F)cc3)CC2)cc1OC ZINC000160205634 927269628 /nfs/dbraw/zinc/26/96/28/927269628.db2.gz KGPLHDGFRIRJCM-UHFFFAOYSA-N 0 3 361.413 3.592 20 10 FHCDHN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000274759384 928019179 /nfs/dbraw/zinc/01/91/79/928019179.db2.gz JOROYRXUVZHMMX-HZPDHXFCSA-N 0 3 360.523 3.958 20 10 FHCDHN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000471177085 928575678 /nfs/dbraw/zinc/57/56/78/928575678.db2.gz OGSWTDIUXFGPAG-UHFFFAOYSA-N 0 3 350.466 3.870 20 10 FHCDHN CC[C@H](N[C@@H](CCSC)c1nnc2ccccn21)c1ccccc1O ZINC000154968715 929589567 /nfs/dbraw/zinc/58/95/67/929589567.db2.gz KWKMGZMUNKIPSM-HOTGVXAUSA-N 0 3 356.495 3.970 20 10 FHCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000471478231 929899086 /nfs/dbraw/zinc/89/90/86/929899086.db2.gz YMHNKEROWGCTFT-OAQYLSRUSA-N 0 3 364.493 3.589 20 10 FHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2ccsc2C(F)F)N(C)C)cc1 ZINC000891243698 930503358 /nfs/dbraw/zinc/50/33/58/930503358.db2.gz TWESMOFCQLRXQT-OAHLLOKOSA-N 0 3 367.465 3.784 20 10 FHCDHN O=C(C1CC1)N1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000276163485 931945780 /nfs/dbraw/zinc/94/57/80/931945780.db2.gz GELHQSRDDFNLIQ-UHFFFAOYSA-N 0 3 350.462 3.504 20 10 FHCDHN O=C(C1CC1)N1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000276163485 931945797 /nfs/dbraw/zinc/94/57/97/931945797.db2.gz GELHQSRDDFNLIQ-UHFFFAOYSA-N 0 3 350.462 3.504 20 10 FHCDHN COc1ccc(N2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000053774026 945084537 /nfs/dbraw/zinc/08/45/37/945084537.db2.gz MVZKJXQQTRONLQ-INIZCTEOSA-N 0 3 355.438 3.877 20 10 FHCDHN O=C1CC[C@H](NCc2ccc(N3CCCC3)cc2)c2cc(F)ccc2N1 ZINC000376068441 940267985 /nfs/dbraw/zinc/26/79/85/940267985.db2.gz OFZIPOTTZUDUIL-IBGZPJMESA-N 0 3 353.441 3.989 20 10 FHCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000310647623 940284025 /nfs/dbraw/zinc/28/40/25/940284025.db2.gz DUAPZPROXYECBF-VNHYZAJKSA-N 0 3 352.450 3.970 20 10 FHCDHN C[C@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCC2)cc1 ZINC000363824859 942772653 /nfs/dbraw/zinc/77/26/53/942772653.db2.gz MKEJSWXEJOSTNP-UWJYYQICSA-N 0 3 368.525 3.594 20 10 FHCDHN C[C@@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000760017468 943020183 /nfs/dbraw/zinc/02/01/83/943020183.db2.gz MNBPZHWEMJKEFD-QAPCUYQASA-N 0 3 360.498 3.800 20 10 FHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c([O-])c1 ZINC000760017135 943089241 /nfs/dbraw/zinc/08/92/41/943089241.db2.gz LBPNAVFSUBEKTA-MJGOQNOKSA-N 0 3 356.535 3.969 20 10 FHCDHN COC(=O)c1c(CNC[C@@H](C)c2c(C)noc2C)c2cc(F)ccc2n1C ZINC000894354306 944573641 /nfs/dbraw/zinc/57/36/41/944573641.db2.gz KZVFTKWPGMNJHO-LLVKDONJSA-N 0 3 373.428 3.602 20 10 FHCDHN Fc1cc(CN[C@H](c2cccnc2)C2CCC2)ccc1N1CCOCC1 ZINC000280791646 945505576 /nfs/dbraw/zinc/50/55/76/945505576.db2.gz HMPBHAMNOCBJIX-NRFANRHFSA-N 0 3 355.457 3.688 20 10 FHCDHN CCCN(CCC)c1ccc(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736473178 598465256 /nfs/dbraw/zinc/46/52/56/598465256.db2.gz JJFIPDWOSIIZBH-UHFFFAOYSA-N 0 3 364.497 3.783 20 10 FHCDHN CCCN(CCC)c1ccc(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736473178 598465258 /nfs/dbraw/zinc/46/52/58/598465258.db2.gz JJFIPDWOSIIZBH-UHFFFAOYSA-N 0 3 364.497 3.783 20 10 FHCDHN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CC[C@H](CN3CCCCC3)C2)c1O ZINC000740095573 601093315 /nfs/dbraw/zinc/09/33/15/601093315.db2.gz BSMGYCYKFRSZGQ-MRXNPFEDSA-N 0 3 368.477 3.551 20 10 FHCDHN O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@H](CN3CCCCC3)C2)c1O ZINC000740095573 601093321 /nfs/dbraw/zinc/09/33/21/601093321.db2.gz BSMGYCYKFRSZGQ-MRXNPFEDSA-N 0 3 368.477 3.551 20 10 FHCDHN Oc1ccccc1C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000823733345 606973387 /nfs/dbraw/zinc/97/33/87/606973387.db2.gz USYAZAUVNSSFAR-UHFFFAOYSA-N 0 3 367.428 3.656 20 10 FHCDHN Oc1ccccc1C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC000823733345 606973388 /nfs/dbraw/zinc/97/33/88/606973388.db2.gz USYAZAUVNSSFAR-UHFFFAOYSA-N 0 3 367.428 3.656 20 10 FHCDHN CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821164302 607012477 /nfs/dbraw/zinc/01/24/77/607012477.db2.gz BBVYUCISODBPQO-HUUCEWRRSA-N 0 3 350.470 3.735 20 10 FHCDHN CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821164302 607012478 /nfs/dbraw/zinc/01/24/78/607012478.db2.gz BBVYUCISODBPQO-HUUCEWRRSA-N 0 3 350.470 3.735 20 10 FHCDHN CC[C@H]([NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC000820921524 607086810 /nfs/dbraw/zinc/08/68/10/607086810.db2.gz ZBRBZHYTHXZLRE-KUHUBIRLSA-N 0 3 350.470 3.735 20 10 FHCDHN CC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC000820921524 607086812 /nfs/dbraw/zinc/08/68/12/607086812.db2.gz ZBRBZHYTHXZLRE-KUHUBIRLSA-N 0 3 350.470 3.735 20 10 FHCDHN CCOc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1O ZINC000160184083 927154770 /nfs/dbraw/zinc/15/47/70/927154770.db2.gz ABPYVLQWSFTXEZ-GOSISDBHSA-N 0 3 357.450 3.678 20 10 FHCDHN CCOc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1O ZINC000160184083 927154774 /nfs/dbraw/zinc/15/47/74/927154774.db2.gz ABPYVLQWSFTXEZ-GOSISDBHSA-N 0 3 357.450 3.678 20 10 FHCDHN CCOc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1OC ZINC000160184366 927155287 /nfs/dbraw/zinc/15/52/87/927155287.db2.gz JVOPDIDBYMZDTJ-LJQANCHMSA-N 0 3 371.477 3.981 20 10 FHCDHN CCOc1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1OC ZINC000160184366 927155293 /nfs/dbraw/zinc/15/52/93/927155293.db2.gz JVOPDIDBYMZDTJ-LJQANCHMSA-N 0 3 371.477 3.981 20 10 FHCDHN Cc1cncc([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000274656017 927370285 /nfs/dbraw/zinc/37/02/85/927370285.db2.gz VVINRDJJQNHEGC-ZACQAIPSSA-N 0 3 357.473 3.994 20 10 FHCDHN CCN(C)c1ccc([C@H](C)NCc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000125700156 937327507 /nfs/dbraw/zinc/32/75/07/937327507.db2.gz UFLCATNWZLDZIP-INIZCTEOSA-N 0 3 360.523 3.538 20 10 FHCDHN CC[C@@H](N[C@@H](CCSC)c1nnc2ccccn21)c1ccccc1O ZINC000154968793 929590230 /nfs/dbraw/zinc/59/02/30/929590230.db2.gz KWKMGZMUNKIPSM-CVEARBPZSA-N 0 3 356.495 3.970 20 10 FHCDHN CC[C@@H](N[C@H](CCSC)c1nnc2ccccn21)c1ccccc1O ZINC000154968950 929590405 /nfs/dbraw/zinc/59/04/05/929590405.db2.gz KWKMGZMUNKIPSM-HZPDHXFCSA-N 0 3 356.495 3.970 20 10 FHCDHN CCCc1cc(NCc2ccc(N3CCN(C)CC3)cc2)nc(CCC)n1 ZINC001167430995 931030935 /nfs/dbraw/zinc/03/09/35/931030935.db2.gz AQCGFOBQWYPSMQ-UHFFFAOYSA-N 0 3 367.541 3.746 20 10 FHCDHN CCOCc1cc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1OC ZINC000051187873 932562879 /nfs/dbraw/zinc/56/28/79/932562879.db2.gz JXEQFAKTSMKHMU-OAHLLOKOSA-N 0 3 368.477 3.967 20 10 FHCDHN COc1ccc(CN(C)Cc2ccc(SC)c(OC)c2)c(O)c1OC ZINC000891848944 933582573 /nfs/dbraw/zinc/58/25/73/933582573.db2.gz ACHQFRQOBRWQQH-UHFFFAOYSA-N 0 3 363.479 3.772 20 10 FHCDHN C[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000277154244 934637220 /nfs/dbraw/zinc/63/72/20/934637220.db2.gz QMJHZQYSRKDJDA-CYBMUJFWSA-N 0 3 366.914 3.660 20 10 FHCDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(N3CCOCC3)cc1)CCC2 ZINC000278332519 938310956 /nfs/dbraw/zinc/31/09/56/938310956.db2.gz WNBARHQUPDASNY-OAQYLSRUSA-N 0 3 367.449 3.599 20 10 FHCDHN CC(=O)c1ccccc1OCCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000176799484 938445682 /nfs/dbraw/zinc/44/56/82/938445682.db2.gz RKISJFUJAWNEMG-LJQANCHMSA-N 0 3 369.461 3.655 20 10 FHCDHN COc1ccc(CN[C@@H](C)c2ccccc2OC(F)F)c(O)c1OC ZINC000892500403 940098414 /nfs/dbraw/zinc/09/84/14/940098414.db2.gz SWGDRSPFLCKNMC-NSHDSACASA-N 0 3 353.365 3.862 20 10 FHCDHN COc1ccc(CNCc2csc(Br)c2)c(O)c1OC ZINC000892562948 940784915 /nfs/dbraw/zinc/78/49/15/940784915.db2.gz NDMCVKWTJFZWLZ-UHFFFAOYSA-N 0 3 358.257 3.523 20 10 FHCDHN COc1ccc(CNCc2cccc(NC(=O)CC(C)C)c2)c(O)c1OC ZINC000892721823 941465531 /nfs/dbraw/zinc/46/55/31/941465531.db2.gz AADLYJSQBCHXFD-UHFFFAOYSA-N 0 3 372.465 3.684 20 10 FHCDHN COc1ccc(CNCc2ccc(Br)c(F)c2)c(O)c1OC ZINC000892738260 941501424 /nfs/dbraw/zinc/50/14/24/941501424.db2.gz UHHGKWBNNVMTQS-UHFFFAOYSA-N 0 3 370.218 3.601 20 10 FHCDHN CC[C@@H](c1ccccc1O)N1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000377693516 941907572 /nfs/dbraw/zinc/90/75/72/941907572.db2.gz GSPOGRPMQYILRO-JKSUJKDBSA-N 0 3 365.437 3.911 20 10 FHCDHN CC1CCN(c2ccc(CNC(=O)C[C@H](N)c3ccccc3)cc2)CC1 ZINC000236673558 942449359 /nfs/dbraw/zinc/44/93/59/942449359.db2.gz XGJHDGMOBAIAOG-NRFANRHFSA-N 0 3 351.494 3.629 20 10 FHCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])c1ccccc1OCC(=O)N(C)C ZINC000183431489 942872435 /nfs/dbraw/zinc/87/24/35/942872435.db2.gz GXCHMQMLWOYAAZ-QAPCUYQASA-N 0 3 356.466 3.661 20 10 FHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cnc3n2CCCC3)c1[O-] ZINC000367435354 942885554 /nfs/dbraw/zinc/88/55/54/942885554.db2.gz BOQQYGUDLVJBNI-LBPRGKRZSA-N 0 3 364.287 3.847 20 10 FHCDHN COc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1C ZINC000273125461 942896148 /nfs/dbraw/zinc/89/61/48/942896148.db2.gz YUIFLLTYMHBRJE-MRXNPFEDSA-N 0 3 372.484 3.955 20 10 FHCDHN COc1ccc(O)c(CN2CCC(C(=O)c3cc(F)ccc3F)CC2)c1 ZINC000271738470 943043149 /nfs/dbraw/zinc/04/31/49/943043149.db2.gz PNKPBAURLKEDAJ-UHFFFAOYSA-N 0 3 361.388 3.774 20 10 FHCDHN CCN(CC)c1ccc(CN2CCCN(Cc3cscn3)CC2)cc1 ZINC000093016425 945450361 /nfs/dbraw/zinc/45/03/61/945450361.db2.gz JWQNZZPOWJRCAH-UHFFFAOYSA-N 0 3 358.555 3.697 20 10 FHCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000310647629 946358953 /nfs/dbraw/zinc/35/89/53/946358953.db2.gz DUAPZPROXYECBF-YDHLFZDLSA-N 0 3 352.450 3.970 20 10 FHCDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1OC ZINC000160193582 948344142 /nfs/dbraw/zinc/34/41/42/948344142.db2.gz DRNBGXMJNTVBPA-SFHVURJKSA-N 0 3 357.450 3.591 20 10 FHCDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1OC ZINC000160193582 948344149 /nfs/dbraw/zinc/34/41/49/948344149.db2.gz DRNBGXMJNTVBPA-SFHVURJKSA-N 0 3 357.450 3.591 20 10 FHCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCc3nccn3C2)c1[O-] ZINC000278983589 948364107 /nfs/dbraw/zinc/36/41/07/948364107.db2.gz PEONLVWJGJTCFR-QWHCGFSZSA-N 0 3 364.287 3.573 20 10 FHCDHN Cc1cncc([C@H](C)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000274656015 927369510 /nfs/dbraw/zinc/36/95/10/927369510.db2.gz VVINRDJJQNHEGC-ULQDDVLXSA-N 0 3 357.473 3.994 20 10 FHCDHN COCCOc1ccc(N2CCN(CC[C@@H](C)c3ccc(C)o3)CC2)cc1 ZINC001208167790 927928680 /nfs/dbraw/zinc/92/86/80/927928680.db2.gz KHTJZLLSDRSJFR-GOSISDBHSA-N 0 3 372.509 3.929 20 10 FHCDHN COc1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)c(O)c1OC ZINC000891517842 932685559 /nfs/dbraw/zinc/68/55/59/932685559.db2.gz YOZDEAFMVOXDDB-HNNXBMFYSA-N 0 3 363.479 3.652 20 10 FHCDHN Oc1cccc2c1CCC[C@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000276649389 932818706 /nfs/dbraw/zinc/81/87/06/932818706.db2.gz SQDNWVNSAPXKAV-LJQANCHMSA-N 0 3 356.441 3.535 20 10 FHCDHN CC[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1[O-] ZINC000156755011 934938707 /nfs/dbraw/zinc/93/87/07/934938707.db2.gz UDQZVYPUHWAMGZ-CVEARBPZSA-N 0 3 350.256 3.929 20 10 FHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000157060661 935017511 /nfs/dbraw/zinc/01/75/11/935017511.db2.gz RPFPJTZSRHYPEQ-HNNXBMFYSA-N 0 3 369.465 3.590 20 10 FHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001167522172 935115608 /nfs/dbraw/zinc/11/56/08/935115608.db2.gz UHQNMAQQBCOMGQ-LJQANCHMSA-N 0 3 356.441 3.939 20 10 FHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001167522172 935115611 /nfs/dbraw/zinc/11/56/11/935115611.db2.gz UHQNMAQQBCOMGQ-LJQANCHMSA-N 0 3 356.441 3.939 20 10 FHCDHN C[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000160687284 936118000 /nfs/dbraw/zinc/11/80/00/936118000.db2.gz BSKOHOKYTKIASU-UTKZUKDTSA-N 0 3 351.494 3.767 20 10 FHCDHN COc1ccc(OC(F)F)c(CNCc2cc(C)cc(OC)c2O)c1 ZINC000894331337 945182176 /nfs/dbraw/zinc/18/21/76/945182176.db2.gz FWIIJLBUMMOBGK-UHFFFAOYSA-N 0 3 353.365 3.609 20 10 FHCDHN O=C(NC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1)c1ccoc1 ZINC000145002724 938952429 /nfs/dbraw/zinc/95/24/29/938952429.db2.gz PGWCBAYCBUDZHX-UHFFFAOYSA-N 0 3 350.418 3.533 20 10 FHCDHN COc1cccc(CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1O ZINC000179754446 939931809 /nfs/dbraw/zinc/93/18/09/939931809.db2.gz POUPRRWMGOCQJG-RDJZCZTQSA-N 0 3 368.260 3.798 20 10 FHCDHN COc1ccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)c(O)c1OC ZINC000893135750 942093479 /nfs/dbraw/zinc/09/34/79/942093479.db2.gz SFLNQYVDSKQRAM-MRXNPFEDSA-N 0 3 355.434 3.946 20 10 FHCDHN CC[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C)cc1[O-] ZINC000280062231 942095085 /nfs/dbraw/zinc/09/50/85/942095085.db2.gz KMELCAKNZFOKLM-QUCCMNQESA-N 0 3 352.478 3.790 20 10 FHCDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cccc3ccccc32)c1 ZINC000182372783 942726541 /nfs/dbraw/zinc/72/65/41/942726541.db2.gz CWSUAAMURRCXGV-CQSZACIVSA-N 0 3 350.418 3.843 20 10 FHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(Cc2ccc(C)cc2)C2CC2)c1 ZINC000182393488 942730226 /nfs/dbraw/zinc/73/02/26/942730226.db2.gz VEUPIJZAPXETQD-INIZCTEOSA-N 0 3 368.477 3.551 20 10 FHCDHN C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCC2)cc1 ZINC000363824854 942772692 /nfs/dbraw/zinc/77/26/92/942772692.db2.gz MKEJSWXEJOSTNP-LAUBAEHRSA-N 0 3 368.525 3.594 20 10 FHCDHN C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCC2)cc1 ZINC000363824851 942772793 /nfs/dbraw/zinc/77/27/93/942772793.db2.gz MKEJSWXEJOSTNP-DYESRHJHSA-N 0 3 368.525 3.594 20 10 FHCDHN C[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000183445862 942874599 /nfs/dbraw/zinc/87/45/99/942874599.db2.gz QSILUCONCGBHMG-JSGCOSHPSA-N 0 3 355.356 3.502 20 10 FHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(SC)cc3)c2)CC1 ZINC000184255815 942990229 /nfs/dbraw/zinc/99/02/29/942990229.db2.gz DTURPNSBBZLLMU-UHFFFAOYSA-N 0 3 355.507 3.803 20 10 FHCDHN C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)cc1[O-] ZINC000186352664 943307069 /nfs/dbraw/zinc/30/70/69/943307069.db2.gz ZJEUNVOJDUGZSH-HNNXBMFYSA-N 0 3 358.457 3.909 20 10 FHCDHN COc1cc(N2CCN(CCCC(C)(C)C)CC2)cc(OC)c1OC ZINC000781914198 944206606 /nfs/dbraw/zinc/20/66/06/944206606.db2.gz AJVHREQNZOYVNS-UHFFFAOYSA-N 0 3 350.503 3.661 20 10 FHCDHN COC(=O)CCN(Cc1ccccc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000729463577 944348891 /nfs/dbraw/zinc/34/88/91/944348891.db2.gz JACHDYOEYLMGEU-UHFFFAOYSA-N 0 3 371.477 3.961 20 10 FHCDHN COc1ccc(N2CCN(C[C@@H](C)COCc3ccccc3)CC2)cc1F ZINC001168069340 946552734 /nfs/dbraw/zinc/55/27/34/946552734.db2.gz UJXIONIGXVWNAE-GOSISDBHSA-N 0 3 372.484 3.809 20 10 FHCDHN Cc1cccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1O ZINC000826298376 947863321 /nfs/dbraw/zinc/86/33/21/947863321.db2.gz PWXZJXCTVNQMBC-UHFFFAOYSA-N 0 3 351.454 3.539 20 10 FHCDHN Cc1cccc(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1O ZINC000826298376 947863325 /nfs/dbraw/zinc/86/33/25/947863325.db2.gz PWXZJXCTVNQMBC-UHFFFAOYSA-N 0 3 351.454 3.539 20 10 FHCDHN Cc1cccc(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1O ZINC000826298376 947863328 /nfs/dbraw/zinc/86/33/28/947863328.db2.gz PWXZJXCTVNQMBC-UHFFFAOYSA-N 0 3 351.454 3.539 20 10 FHCDHN Cc1cccc(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1O ZINC000826298376 947863338 /nfs/dbraw/zinc/86/33/38/947863338.db2.gz PWXZJXCTVNQMBC-UHFFFAOYSA-N 0 3 351.454 3.539 20 10 FHCDHN C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820431982 599395915 /nfs/dbraw/zinc/39/59/15/599395915.db2.gz JSQQWBHQRMINGE-INIZCTEOSA-N 0 3 362.481 3.708 20 10 FHCDHN C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820431982 599395918 /nfs/dbraw/zinc/39/59/18/599395918.db2.gz JSQQWBHQRMINGE-INIZCTEOSA-N 0 3 362.481 3.708 20 10 FHCDHN Cc1ccc(O)c(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000826291686 608310457 /nfs/dbraw/zinc/31/04/57/608310457.db2.gz QYUXITRLBVAQNZ-UHFFFAOYSA-N 0 3 371.444 3.838 20 10 FHCDHN COc1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc(OC)c1 ZINC000160185055 927148542 /nfs/dbraw/zinc/14/85/42/927148542.db2.gz PNRYRXFWPXBXQO-SFHVURJKSA-N 0 3 357.450 3.591 20 10 FHCDHN COc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc(OC)c1 ZINC000160185055 927148550 /nfs/dbraw/zinc/14/85/50/927148550.db2.gz PNRYRXFWPXBXQO-SFHVURJKSA-N 0 3 357.450 3.591 20 10 FHCDHN COc1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc(OC)c1 ZINC000160185055 927148557 /nfs/dbraw/zinc/14/85/57/927148557.db2.gz PNRYRXFWPXBXQO-SFHVURJKSA-N 0 3 357.450 3.591 20 10 FHCDHN CCOc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1OC ZINC000160184238 927154576 /nfs/dbraw/zinc/15/45/76/927154576.db2.gz JVOPDIDBYMZDTJ-IBGZPJMESA-N 0 3 371.477 3.981 20 10 FHCDHN CCOc1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1OC ZINC000160184238 927154586 /nfs/dbraw/zinc/15/45/86/927154586.db2.gz JVOPDIDBYMZDTJ-IBGZPJMESA-N 0 3 371.477 3.981 20 10 FHCDHN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000274759383 928018854 /nfs/dbraw/zinc/01/88/54/928018854.db2.gz JOROYRXUVZHMMX-HOTGVXAUSA-N 0 3 360.523 3.958 20 10 FHCDHN CC[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cc(Br)ccc1[O-] ZINC000274915382 929033305 /nfs/dbraw/zinc/03/33/05/929033305.db2.gz OACWHYOJEKLLKL-ZIAGYGMSSA-N 0 3 350.260 3.996 20 10 FHCDHN COc1cc(O)c(CN(C)Cc2cccc(OC(F)(F)F)c2)cc1OC ZINC000160407520 930327886 /nfs/dbraw/zinc/32/78/86/930327886.db2.gz DYFCIKDHVAOSMO-UHFFFAOYSA-N 0 3 371.355 3.940 20 10 FHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2sccc2Cl)N(C)C)cc1 ZINC000891246644 930526528 /nfs/dbraw/zinc/52/65/28/930526528.db2.gz CYLFXDNJFXSZQC-OAHLLOKOSA-N 0 3 351.903 3.500 20 10 FHCDHN CC[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000178202268 932872681 /nfs/dbraw/zinc/87/26/81/932872681.db2.gz PIDWGAWZYNXRIS-HNNXBMFYSA-N 0 3 365.399 3.849 20 10 FHCDHN C[C@@H]1CN(CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000101595654 932982155 /nfs/dbraw/zinc/98/21/55/932982155.db2.gz ZJZZYDOJLGYUDV-BETUJISGSA-N 0 3 361.313 3.678 20 10 FHCDHN C[C@@H]1CN(CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H](C)O1 ZINC000101595656 932983118 /nfs/dbraw/zinc/98/31/18/932983118.db2.gz ZJZZYDOJLGYUDV-CHWSQXEVSA-N 0 3 361.313 3.678 20 10 FHCDHN COC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccc(Br)c1 ZINC001207226534 933015855 /nfs/dbraw/zinc/01/58/55/933015855.db2.gz YTEPHHCZLVSBJS-HNNXBMFYSA-N 0 3 354.219 3.771 20 10 FHCDHN Cc1ccc(O)c([C@@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000277106519 934492939 /nfs/dbraw/zinc/49/29/39/934492939.db2.gz MBMRDWAJJSFJFX-GFCCVEGCSA-N 0 3 353.871 3.608 20 10 FHCDHN CC(=O)c1ccccc1OCCN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000176799468 938445606 /nfs/dbraw/zinc/44/56/06/938445606.db2.gz RKISJFUJAWNEMG-IBGZPJMESA-N 0 3 369.461 3.655 20 10 FHCDHN COc1ccc(N2CCCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000179550260 939887392 /nfs/dbraw/zinc/88/73/92/939887392.db2.gz VRNNFVXMRYYINE-UHFFFAOYSA-N 0 3 362.477 3.798 20 10 FHCDHN CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1Cc1nc(C)c(C)o1)c1ccccc1[O-] ZINC000377690102 941904245 /nfs/dbraw/zinc/90/42/45/941904245.db2.gz DAEGDPXCYCQDJV-BQFCYCMXSA-N 0 3 361.461 3.650 20 10 FHCDHN CC[C@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1ccc(C)cc1[O-] ZINC000280062236 942095073 /nfs/dbraw/zinc/09/50/73/942095073.db2.gz KMEWPBFXAQQDKP-ICSRJNTNSA-N 0 3 365.477 3.580 20 10 FHCDHN C[C@@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000760017458 943007276 /nfs/dbraw/zinc/00/72/76/943007276.db2.gz MNBPZHWEMJKEFD-CRAIPNDOSA-N 0 3 360.498 3.800 20 10 FHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000185130516 943104719 /nfs/dbraw/zinc/10/47/19/943104719.db2.gz YPKZJVKROBCWDX-ZFWWWQNUSA-N 0 3 369.383 3.810 20 10 FHCDHN C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000185629841 943197510 /nfs/dbraw/zinc/19/75/10/943197510.db2.gz CCZDLYGNUHOGJR-MRXNPFEDSA-N 0 3 370.468 3.663 20 10 FHCDHN CCOC(=O)c1nn(C)cc1CN(Cc1ccccc1O)C1CCCCC1 ZINC000186153870 943278489 /nfs/dbraw/zinc/27/84/89/943278489.db2.gz ONIMNJCAYVNJDV-UHFFFAOYSA-N 0 3 371.481 3.637 20 10 FHCDHN COc1cc(C)cc(CN[C@H](C)c2ccc(Br)cn2)c1O ZINC000894617398 944323256 /nfs/dbraw/zinc/32/32/56/944323256.db2.gz IJEKVVXCYHUWDF-LLVKDONJSA-N 0 3 351.244 3.718 20 10 FHCDHN CC[C@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1[O-] ZINC000364356406 944453154 /nfs/dbraw/zinc/45/31/54/944453154.db2.gz QQIJMWCGPNTFET-WMZOPIPTSA-N 0 3 366.440 3.846 20 10 FHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001167982683 944555435 /nfs/dbraw/zinc/55/54/35/944555435.db2.gz FWLTYAZSXMXXKQ-BQFCYCMXSA-N 0 3 373.415 3.873 20 10 FHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001167982683 944555441 /nfs/dbraw/zinc/55/54/41/944555441.db2.gz FWLTYAZSXMXXKQ-BQFCYCMXSA-N 0 3 373.415 3.873 20 10 FHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(C)c(C(C)=O)c3)c2)CC1 ZINC000194507774 944690130 /nfs/dbraw/zinc/69/01/30/944690130.db2.gz CDKRCUKAHCGTOM-UHFFFAOYSA-N 0 3 365.477 3.592 20 10 FHCDHN COc1cccc2c1CCC[C@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000194857588 944753952 /nfs/dbraw/zinc/75/39/52/944753952.db2.gz PUYVBVWIJOGQGC-HXUWFJFHSA-N 0 3 370.468 3.838 20 10 FHCDHN CC(=O)N1CCC(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000293653587 944873292 /nfs/dbraw/zinc/87/32/92/944873292.db2.gz ISZBCTNBPNLOMI-QFIPXVFZSA-N 0 3 366.505 3.914 20 10 FHCDHN COc1ccc(CN[C@H](CC(=O)OC(C)C)c2ccccc2)c(O)c1OC ZINC000894489510 945795869 /nfs/dbraw/zinc/79/58/69/945795869.db2.gz BIYVFRSHVPIVKH-QGZVFWFLSA-N 0 3 373.449 3.582 20 10 FHCDHN COc1ccc(N2CCN(C[C@H](C)COCc3ccccc3)CC2)cc1F ZINC001168069341 946552141 /nfs/dbraw/zinc/55/21/41/946552141.db2.gz UJXIONIGXVWNAE-SFHVURJKSA-N 0 3 372.484 3.809 20 10 FHCDHN COc1ccc(CNCc2cc(C)ccc2Br)c(O)c1OC ZINC000894909684 946584271 /nfs/dbraw/zinc/58/42/71/946584271.db2.gz GWHLPMOGCWZFDX-UHFFFAOYSA-N 0 3 366.255 3.770 20 10 FHCDHN Cc1c2ccccc2n(C)c1CNCc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000475198275 946706881 /nfs/dbraw/zinc/70/68/81/946706881.db2.gz OXWZIDDHHFZQBH-UHFFFAOYSA-N 0 3 374.488 3.574 20 10 FHCDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc(OC)c(OC)c2C)c1[O-] ZINC000897245566 947024239 /nfs/dbraw/zinc/02/42/39/947024239.db2.gz CSCKAZLXWIAMCY-UHFFFAOYSA-N 0 3 351.830 3.670 20 10 FHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H](N)c1ccccc1 ZINC000237217724 948554990 /nfs/dbraw/zinc/55/49/90/948554990.db2.gz OAUJAGROJMVFGQ-OAQYLSRUSA-N 0 3 351.494 3.725 20 10 FHCDHN CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821164303 607012643 /nfs/dbraw/zinc/01/26/43/607012643.db2.gz BBVYUCISODBPQO-LSDHHAIUSA-N 0 3 350.470 3.735 20 10 FHCDHN CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821164303 607012644 /nfs/dbraw/zinc/01/26/44/607012644.db2.gz BBVYUCISODBPQO-LSDHHAIUSA-N 0 3 350.470 3.735 20 10 FHCDHN Oc1ccccc1C[N@H+](Cc1cccc(-c2nnn[n-]2)c1F)C1CCCC1 ZINC000826511128 608395350 /nfs/dbraw/zinc/39/53/50/608395350.db2.gz CXNBFIAEQBOURI-UHFFFAOYSA-N 0 3 367.428 3.656 20 10 FHCDHN Oc1ccccc1C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1F)C1CCCC1 ZINC000826511128 608395352 /nfs/dbraw/zinc/39/53/52/608395352.db2.gz CXNBFIAEQBOURI-UHFFFAOYSA-N 0 3 367.428 3.656 20 10 FHCDHN OCC1CCN(c2ccc(CNCc3cc(F)cc(Cl)c3)cc2)CC1 ZINC000275028180 929264016 /nfs/dbraw/zinc/26/40/16/929264016.db2.gz VOGCOVMACXNILU-UHFFFAOYSA-N 0 3 362.876 3.978 20 10 FHCDHN CC[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccccc1[O-] ZINC000363693938 934860337 /nfs/dbraw/zinc/86/03/37/934860337.db2.gz LJMKOJOPPKMSDY-QUCCMNQESA-N 0 3 352.478 3.524 20 10 FHCDHN CCC[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccn1 ZINC000158774566 938259956 /nfs/dbraw/zinc/25/99/56/938259956.db2.gz TXUZSZADVSOQSB-OAQYLSRUSA-N 0 3 353.510 3.921 20 10 FHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1[O-] ZINC000310627330 940121187 /nfs/dbraw/zinc/12/11/87/940121187.db2.gz DGGIIQXBYCVCGI-KBXCAEBGSA-N 0 3 360.885 3.807 20 10 FHCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1[O-] ZINC000310627337 940121210 /nfs/dbraw/zinc/12/12/10/940121210.db2.gz DGGIIQXBYCVCGI-RDTXWAMCSA-N 0 3 360.885 3.807 20 10 FHCDHN O=C1CC[C@@H](NCc2ccc(N3CCCC3)cc2)c2cc(F)ccc2N1 ZINC000376068444 940268166 /nfs/dbraw/zinc/26/81/66/940268166.db2.gz OFZIPOTTZUDUIL-LJQANCHMSA-N 0 3 353.441 3.989 20 10 FHCDHN CC[C@@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(C)cc1[O-] ZINC000376113591 940329581 /nfs/dbraw/zinc/32/95/81/940329581.db2.gz KTAPHLWMJDONJA-KYJSFNMBSA-N 0 3 357.454 3.922 20 10 FHCDHN CC[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(C)cc1[O-] ZINC000280058350 942094324 /nfs/dbraw/zinc/09/43/24/942094324.db2.gz KDGHZFUWBMRGBG-NRFANRHFSA-N 0 3 354.494 3.774 20 10 FHCDHN COCc1nccc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3[O-])C2)n1 ZINC000378444094 942771909 /nfs/dbraw/zinc/77/19/09/942771909.db2.gz VPDMLYNFUIEAPT-CQSZACIVSA-N 0 3 361.873 3.670 20 10 FHCDHN COCc1nccc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])C2)n1 ZINC000378444094 942771913 /nfs/dbraw/zinc/77/19/13/942771913.db2.gz VPDMLYNFUIEAPT-CQSZACIVSA-N 0 3 361.873 3.670 20 10 FHCDHN C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(Br)cc1[O-] ZINC000273465295 942964164 /nfs/dbraw/zinc/96/41/64/942964164.db2.gz DQEBJGYXFTZCRX-LBPRGKRZSA-N 0 3 353.304 3.822 20 10 FHCDHN C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000185130609 943104255 /nfs/dbraw/zinc/10/42/55/943104255.db2.gz ORQPHALPYLXSEJ-SMDDNHRTSA-N 0 3 373.346 3.641 20 10 FHCDHN COc1ccc(O)c([C@H](C)NCc2ccc(C(F)(F)F)nc2N(C)C)c1 ZINC000894501574 945841231 /nfs/dbraw/zinc/84/12/31/945841231.db2.gz ANEFZFGMLJKZSV-NSHDSACASA-N 0 3 369.387 3.731 20 10 FHCDHN CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCCC1 ZINC000310605192 946351523 /nfs/dbraw/zinc/35/15/23/946351523.db2.gz DXFYJVZLJICROU-INIZCTEOSA-N 0 3 352.450 3.704 20 10 FHCDHN CC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000840883533 946363251 /nfs/dbraw/zinc/36/32/51/946363251.db2.gz FFNCYFWCJHSNAH-FQEVSTJZSA-N 0 3 372.484 3.599 20 10 FHCDHN COCCOc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000160174183 927088317 /nfs/dbraw/zinc/08/83/17/927088317.db2.gz XUYOUJACJNMVLZ-NRFANRHFSA-N 0 3 371.477 3.599 20 10 FHCDHN COCCOc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000160174183 927088331 /nfs/dbraw/zinc/08/83/31/927088331.db2.gz XUYOUJACJNMVLZ-NRFANRHFSA-N 0 3 371.477 3.599 20 10 FHCDHN COCCOc1ccccc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160196510 927218213 /nfs/dbraw/zinc/21/82/13/927218213.db2.gz BDSULGINLOYHIW-HXUWFJFHSA-N 0 3 371.477 3.599 20 10 FHCDHN Cc1cncc([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000274656010 927370230 /nfs/dbraw/zinc/37/02/30/927370230.db2.gz VVINRDJJQNHEGC-BBWFWOEESA-N 0 3 357.473 3.994 20 10 FHCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274827514 928828969 /nfs/dbraw/zinc/82/89/69/928828969.db2.gz UDAURQUQCBCBQN-UHFFFAOYSA-N 0 3 362.477 3.853 20 10 FHCDHN C[C@H](N[C@H]1CCc2c1cccc2O)c1ccc(N2CCOCC2)c(F)c1 ZINC000130650470 938426201 /nfs/dbraw/zinc/42/62/01/938426201.db2.gz HTAHSINCUYVQPX-LIRRHRJNSA-N 0 3 356.441 3.706 20 10 FHCDHN CN(C)c1ccc(N=Nc2ccccc2C(=O)NC2CCN(C)CC2)cc1 ZINC000255592416 938830325 /nfs/dbraw/zinc/83/03/25/938830325.db2.gz LJTZPFKJBSLVCU-UHFFFAOYSA-N 0 3 365.481 3.992 20 10 FHCDHN CC(C)(NCc1cc2c(cc1O)OCO2)c1ccccc1Br ZINC000179329665 939087784 /nfs/dbraw/zinc/08/77/84/939087784.db2.gz QSZDPNPUMOKXQX-UHFFFAOYSA-N 0 3 364.239 3.908 20 10 FHCDHN O=C1OCCC12CC[NH+](Cc1ccc(OCc3ccccc3)cc1[O-])CC2 ZINC000376340041 940797232 /nfs/dbraw/zinc/79/72/32/940797232.db2.gz JHUUYFBOPSTHSR-UHFFFAOYSA-N 0 3 367.445 3.500 20 10 FHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H]3C(=O)N(C)C3CC3)CC2)c1[O-] ZINC000376506488 941095579 /nfs/dbraw/zinc/09/55/79/941095579.db2.gz QNZAWWOWIHEAFC-KRWDZBQOSA-N 0 3 362.901 3.577 20 10 FHCDHN Fc1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1C(F)F ZINC000892668320 941117238 /nfs/dbraw/zinc/11/72/38/941117238.db2.gz KRMUTLTWFLCENE-UHFFFAOYSA-N 0 3 350.384 3.890 20 10 FHCDHN Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H](C)c2ccc(C)cc2[O-])oc1C ZINC000377787843 941988917 /nfs/dbraw/zinc/98/89/17/941988917.db2.gz VMYWQERWKXJLLS-PVAVHDDUSA-N 0 3 361.461 3.569 20 10 FHCDHN CC[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccc(C)cc1[O-] ZINC000280128271 942115812 /nfs/dbraw/zinc/11/58/12/942115812.db2.gz OTGRUCVRHIPREQ-IBGZPJMESA-N 0 3 356.466 3.894 20 10 FHCDHN OC1CCN(c2ccc(CN[C@H](c3cccnc3)C3CCC3)cc2F)CC1 ZINC000280449256 942182342 /nfs/dbraw/zinc/18/23/42/942182342.db2.gz DHLZAHOXRMLLLP-QFIPXVFZSA-N 0 3 369.484 3.813 20 10 FHCDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000378488386 942815970 /nfs/dbraw/zinc/81/59/70/942815970.db2.gz ALMHAUJOMVYJLM-QGZVFWFLSA-N 0 3 370.472 3.619 20 10 FHCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc2ccccc2c1[O-] ZINC000273473554 942965935 /nfs/dbraw/zinc/96/59/35/942965935.db2.gz KFWUFFPSGKHQOD-IWMITWMQSA-N 0 3 354.494 3.574 20 10 FHCDHN OCC1CCN(c2ccc(CN[C@@H]3CCCc4c(O)cccc43)cc2)CC1 ZINC000291180369 944175638 /nfs/dbraw/zinc/17/56/38/944175638.db2.gz KODLMCNREUFCPN-JOCHJYFZSA-N 0 3 366.505 3.768 20 10 FHCDHN COC(=O)c1c(CNC[C@H](C)c2c(C)noc2C)c2cc(F)ccc2n1C ZINC000894354307 944573273 /nfs/dbraw/zinc/57/32/73/944573273.db2.gz KZVFTKWPGMNJHO-NSHDSACASA-N 0 3 373.428 3.602 20 10 FHCDHN COC(=O)c1[nH]c2ccccc2c1CN[C@H](C)c1cc(OC)ccc1O ZINC000894783428 944610497 /nfs/dbraw/zinc/61/04/97/944610497.db2.gz ULTQUGZOEHZLER-GFCCVEGCSA-N 0 3 354.406 3.520 20 10 FHCDHN COc1cc(N2CCN(Cc3cc(C)ccc3C)CC2)cc(OC)c1OC ZINC000759880169 944714748 /nfs/dbraw/zinc/71/47/48/944714748.db2.gz YFLKHXLCHBZRGT-UHFFFAOYSA-N 0 3 370.493 3.651 20 10 FHCDHN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000092066701 945456988 /nfs/dbraw/zinc/45/69/88/945456988.db2.gz HCSMASHZCCZYOC-DYVFJYSZSA-N 0 3 365.315 3.603 20 10 FHCDHN [O-]c1c(Br)cccc1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000092066701 945457002 /nfs/dbraw/zinc/45/70/02/945457002.db2.gz HCSMASHZCCZYOC-DYVFJYSZSA-N 0 3 365.315 3.603 20 10 FHCDHN [O-]c1c(Br)cccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066701 945457009 /nfs/dbraw/zinc/45/70/09/945457009.db2.gz HCSMASHZCCZYOC-DYVFJYSZSA-N 0 3 365.315 3.603 20 10 FHCDHN [O-]c1c(Br)cccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066701 945457011 /nfs/dbraw/zinc/45/70/11/945457011.db2.gz HCSMASHZCCZYOC-DYVFJYSZSA-N 0 3 365.315 3.603 20 10 FHCDHN OC1CCN(c2ccc(CN[C@H](c3cncc(F)c3)C3CC3)cc2F)CC1 ZINC000281351008 945600508 /nfs/dbraw/zinc/60/05/08/945600508.db2.gz VKADQWUMDFQILS-NRFANRHFSA-N 0 3 373.447 3.562 20 10 FHCDHN COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1cccc2c1CCNC2 ZINC000662818478 946058198 /nfs/dbraw/zinc/05/81/98/946058198.db2.gz YTTRAJHSZLPWLT-SFHVURJKSA-N 0 3 364.489 3.816 20 10 FHCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)c1ccccc1[O-] ZINC000760034193 947575884 /nfs/dbraw/zinc/57/58/84/947575884.db2.gz LTOVLLBKXIBBPW-HIFRSBDPSA-N 0 3 364.283 3.657 20 10 FHCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)c1ccccc1[O-] ZINC000760040353 948298605 /nfs/dbraw/zinc/29/86/05/948298605.db2.gz JLMJYWLKHDBTBH-HIFRSBDPSA-N 0 3 364.283 3.657 20 10 FHCDHN O=C([O-])c1cc2ccccc2c(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000740097554 600428251 /nfs/dbraw/zinc/42/82/51/600428251.db2.gz LJUHHDHAMJDXBU-KRWDZBQOSA-N 0 3 368.477 3.694 20 10 FHCDHN CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821164477 607085896 /nfs/dbraw/zinc/08/58/96/607085896.db2.gz DSSQWWXDAINWAD-HUUCEWRRSA-N 0 3 350.470 3.735 20 10 FHCDHN CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821164477 607085897 /nfs/dbraw/zinc/08/58/97/607085897.db2.gz DSSQWWXDAINWAD-HUUCEWRRSA-N 0 3 350.470 3.735 20 10 FHCDHN CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825415854 609133365 /nfs/dbraw/zinc/13/33/65/609133365.db2.gz DQUTXBIBGBEYNH-CQSZACIVSA-N 0 3 368.460 3.703 20 10 FHCDHN [O-]c1ccccc1C[N@@H+](CC1=Cc2ccccc2OC1)C[C@H]1CCCO1 ZINC000160188384 927161755 /nfs/dbraw/zinc/16/17/55/927161755.db2.gz RWICWZKVPQLTRS-HXUWFJFHSA-N 0 3 351.446 3.849 20 10 FHCDHN [O-]c1ccccc1C[N@H+](CC1=Cc2ccccc2OC1)C[C@H]1CCCO1 ZINC000160188384 927161762 /nfs/dbraw/zinc/16/17/62/927161762.db2.gz RWICWZKVPQLTRS-HXUWFJFHSA-N 0 3 351.446 3.849 20 10 FHCDHN COCCOc1ccccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160196374 927217688 /nfs/dbraw/zinc/21/76/88/927217688.db2.gz BDSULGINLOYHIW-FQEVSTJZSA-N 0 3 371.477 3.599 20 10 FHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248051922 937202415 /nfs/dbraw/zinc/20/24/15/937202415.db2.gz NVSRKFJRVCBHJE-FPOVZHCZSA-N 0 3 367.493 3.759 20 10 FHCDHN [O-]c1cc(F)c(F)cc1C[NH2+][C@@]12CC[C@@](NCc3ccc[nH]3)(C1)CCC2 ZINC001279106004 928358397 /nfs/dbraw/zinc/35/83/97/928358397.db2.gz GQDIILKDTHVTLI-VQTJNVASSA-N 0 3 361.436 3.723 20 10 FHCDHN COCCCN1CCN(c2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC001209055877 929218385 /nfs/dbraw/zinc/21/83/85/929218385.db2.gz HXZYKAPNRWSHHC-UHFFFAOYSA-N 0 3 351.450 3.653 20 10 FHCDHN Cc1cc(C(F)F)oc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245267 930517649 /nfs/dbraw/zinc/51/76/49/930517649.db2.gz BPXOVMZHHBURKO-HNNXBMFYSA-N 0 3 365.424 3.624 20 10 FHCDHN COc1ccc(C)cc1CN1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000023854108 932250517 /nfs/dbraw/zinc/25/05/17/932250517.db2.gz FEUDJAQUYSHSOQ-UHFFFAOYSA-N 0 3 354.494 3.644 20 10 FHCDHN CCOC(CC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-])OCC ZINC000276464741 932460925 /nfs/dbraw/zinc/46/09/25/932460925.db2.gz CTFAZWDYUBLSCL-GFCCVEGCSA-N 0 3 360.292 3.903 20 10 FHCDHN CCOc1cccc(CN[C@@H](Cc2nc(C)no2)c2ccccc2)c1O ZINC000277663404 935791572 /nfs/dbraw/zinc/79/15/72/935791572.db2.gz OEVQHMPBFKVIKJ-KRWDZBQOSA-N 0 3 353.422 3.556 20 10 FHCDHN COc1ccc(CNCc2ccc(OC3CCCCC3)nc2)c(O)c1OC ZINC000892805119 941572918 /nfs/dbraw/zinc/57/29/18/941572918.db2.gz DUFDPGBRLFVFGP-UHFFFAOYSA-N 0 3 372.465 3.806 20 10 FHCDHN COc1cc(Br)cc(C[N@@H+]2CCCC3(CCOCC3)C2)c1[O-] ZINC000378341566 942618301 /nfs/dbraw/zinc/61/83/01/942618301.db2.gz LJRLQPWVSJWVML-UHFFFAOYSA-N 0 3 370.287 3.556 20 10 FHCDHN COc1cc(Br)cc(C[N@H+]2CCCC3(CCOCC3)C2)c1[O-] ZINC000378341566 942618302 /nfs/dbraw/zinc/61/83/02/942618302.db2.gz LJRLQPWVSJWVML-UHFFFAOYSA-N 0 3 370.287 3.556 20 10 FHCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnc(Cc4ccccc4)n3C2)c([O-])c1 ZINC000363853949 942856642 /nfs/dbraw/zinc/85/66/42/942856642.db2.gz LGWLJUZOHDJUMN-FUHWJXTLSA-N 0 3 362.477 3.549 20 10 FHCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc2ccccc2c1[O-] ZINC000273473558 942965576 /nfs/dbraw/zinc/96/55/76/942965576.db2.gz KFWUFFPSGKHQOD-ONGXBYRLSA-N 0 3 354.494 3.574 20 10 FHCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000273742979 943026662 /nfs/dbraw/zinc/02/66/62/943026662.db2.gz MDZZMUHDJPFYFG-RULNZOCKSA-N 0 3 353.871 3.642 20 10 FHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c([O-])c1 ZINC000760017133 943088797 /nfs/dbraw/zinc/08/87/97/943088797.db2.gz LBPNAVFSUBEKTA-IEBWSBKVSA-N 0 3 356.535 3.969 20 10 FHCDHN Cc1ccc([C@@H](C[NH2+][C@H](C)c2cc(F)ccc2[O-])N2CCOCC2)cc1 ZINC000185081580 943094123 /nfs/dbraw/zinc/09/41/23/943094123.db2.gz RSSGSCTZMAAQAB-OXQOHEQNSA-N 0 3 358.457 3.564 20 10 FHCDHN CC[C@@H]([NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)c1ccccc1[O-] ZINC000364356397 944452991 /nfs/dbraw/zinc/45/29/91/944452991.db2.gz QQIJMWCGPNTFET-FUHWJXTLSA-N 0 3 366.440 3.846 20 10 FHCDHN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1cccc2c1CCNC2 ZINC000662818477 946057420 /nfs/dbraw/zinc/05/74/20/946057420.db2.gz YTTRAJHSZLPWLT-GOSISDBHSA-N 0 3 364.489 3.816 20 10 FHCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000303580835 946626589 /nfs/dbraw/zinc/62/65/89/946626589.db2.gz OVNNFHDTXRALKL-JOCHJYFZSA-N 0 3 355.526 3.533 20 10 FHCDHN COc1cc(CNCc2c(C)c3ccccc3n2C)cc2c1OCCO2 ZINC000475192975 946664256 /nfs/dbraw/zinc/66/42/56/946664256.db2.gz HYNUCHRADALWRR-UHFFFAOYSA-N 0 3 352.434 3.556 20 10 FHCDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000760038545 948110906 /nfs/dbraw/zinc/11/09/06/948110906.db2.gz CEXFPYXERNGVDR-XZVASYGPSA-N 0 3 359.416 3.975 20 10 FHCDHN O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)cc1 ZINC000023382687 136152795 /nfs/dbraw/zinc/15/27/95/136152795.db2.gz BFIIPVUPQSMWDG-UHFFFAOYSA-N 0 3 363.417 3.776 20 10 FHCDHN CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821164411 607084271 /nfs/dbraw/zinc/08/42/71/607084271.db2.gz DSSQWWXDAINWAD-CABCVRRESA-N 0 3 350.470 3.735 20 10 FHCDHN CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821164411 607084272 /nfs/dbraw/zinc/08/42/72/607084272.db2.gz DSSQWWXDAINWAD-CABCVRRESA-N 0 3 350.470 3.735 20 10 FHCDHN Cc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000160178500 927105898 /nfs/dbraw/zinc/10/58/98/927105898.db2.gz DZSMDJOGUFOXMS-SFHVURJKSA-N 0 3 356.422 3.790 20 10 FHCDHN COc1ccc2oc(CNCc3ccc(N4CCOCC4)cc3)cc2c1 ZINC000124193027 937216993 /nfs/dbraw/zinc/21/69/93/937216993.db2.gz SFGBIAZTZNHOQD-UHFFFAOYSA-N 0 3 352.434 3.568 20 10 FHCDHN Cc1cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC001167330253 929927072 /nfs/dbraw/zinc/92/70/72/929927072.db2.gz ZJMKRRUJVNOARO-MSOLQXFVSA-N 0 3 356.432 3.873 20 10 FHCDHN COc1ccc(CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C ZINC000048744892 930490424 /nfs/dbraw/zinc/49/04/24/930490424.db2.gz OECBMQXSSXZRNP-INIZCTEOSA-N 0 3 368.477 3.512 20 10 FHCDHN CSc1ccsc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254255 930551689 /nfs/dbraw/zinc/55/16/89/930551689.db2.gz XXXKDWWFANZWFN-HNNXBMFYSA-N 0 3 363.552 3.569 20 10 FHCDHN COC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccc(Br)c1 ZINC001207226535 933016846 /nfs/dbraw/zinc/01/68/46/933016846.db2.gz YTEPHHCZLVSBJS-OAHLLOKOSA-N 0 3 354.219 3.771 20 10 FHCDHN CC[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1[O-] ZINC000156755310 934938520 /nfs/dbraw/zinc/93/85/20/934938520.db2.gz UDQZVYPUHWAMGZ-HZPDHXFCSA-N 0 3 350.256 3.929 20 10 FHCDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000162114075 938658872 /nfs/dbraw/zinc/65/88/72/938658872.db2.gz FNJQCGOMOFABGA-INIZCTEOSA-N 0 3 355.438 3.624 20 10 FHCDHN C[N@H+](CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1[O-] ZINC000782950258 941327777 /nfs/dbraw/zinc/32/77/77/941327777.db2.gz SZGZFLKFAQNOAZ-UHFFFAOYSA-N 0 3 366.461 3.681 20 10 FHCDHN C[N@@H+](CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1[O-] ZINC000782950258 941327780 /nfs/dbraw/zinc/32/77/80/941327780.db2.gz SZGZFLKFAQNOAZ-UHFFFAOYSA-N 0 3 366.461 3.681 20 10 FHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377917934 942071195 /nfs/dbraw/zinc/07/11/95/942071195.db2.gz KQGNWHLLBNEYBD-UHFFFAOYSA-N 0 3 371.456 3.907 20 10 FHCDHN C[N@H+](Cc1cc(F)ccc1[O-])CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377917934 942071202 /nfs/dbraw/zinc/07/12/02/942071202.db2.gz KQGNWHLLBNEYBD-UHFFFAOYSA-N 0 3 371.456 3.907 20 10 FHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1[O-] ZINC000179782342 942283371 /nfs/dbraw/zinc/28/33/71/942283371.db2.gz HWIKYOHQJOXAJY-UHFFFAOYSA-N 0 3 350.890 3.579 20 10 FHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(Cc2ccccc2)C(C)(C)C)c1 ZINC000182364255 942724425 /nfs/dbraw/zinc/72/44/25/942724425.db2.gz LHWOOHNTYQXMIY-INIZCTEOSA-N 0 3 370.493 3.879 20 10 FHCDHN C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1ccc(N2CCCCC2)cc1 ZINC000363824857 942772548 /nfs/dbraw/zinc/77/25/48/942772548.db2.gz MKEJSWXEJOSTNP-UTKZUKDTSA-N 0 3 368.525 3.594 20 10 FHCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nnc(Cc4ccccc4)n3C2)c([O-])c1 ZINC000363853952 942856513 /nfs/dbraw/zinc/85/65/13/942856513.db2.gz LGWLJUZOHDJUMN-WMZOPIPTSA-N 0 3 362.477 3.549 20 10 FHCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c([O-])c1 ZINC000185118412 943100832 /nfs/dbraw/zinc/10/08/32/943100832.db2.gz VMUFTWFAWMAFDX-OAHLLOKOSA-N 0 3 358.457 3.652 20 10 FHCDHN COCCCOc1cc(C)ccc1CNCc1cc(C)cc(OC)c1O ZINC000894349112 944390841 /nfs/dbraw/zinc/39/08/41/944390841.db2.gz BAYVANHIOXJMRL-UHFFFAOYSA-N 0 3 359.466 3.723 20 10 FHCDHN Cc1nc(C)c(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000123762653 944418584 /nfs/dbraw/zinc/41/85/84/944418584.db2.gz SQOCINMZRGWXJN-INIZCTEOSA-N 0 3 365.930 3.873 20 10 FHCDHN CCN(CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)CC(F)(F)F ZINC001167984717 945043594 /nfs/dbraw/zinc/04/35/94/945043594.db2.gz WKWZIOSNJPGVMM-QGZVFWFLSA-N 0 3 374.447 3.648 20 10 FHCDHN CCN(CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)CC(F)(F)F ZINC001167984717 945043604 /nfs/dbraw/zinc/04/36/04/945043604.db2.gz WKWZIOSNJPGVMM-QGZVFWFLSA-N 0 3 374.447 3.648 20 10 FHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897260961 947058031 /nfs/dbraw/zinc/05/80/31/947058031.db2.gz UDPLMHZHHYKLSR-FQEVSTJZSA-N 0 3 353.462 3.565 20 10 FHCDHN CCOc1cccc(C[N@H+](CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1O ZINC000825649669 608551530 /nfs/dbraw/zinc/55/15/30/608551530.db2.gz UTZXZEUMNCQDAR-CQSZACIVSA-N 0 3 367.453 3.554 20 10 FHCDHN CCOc1cccc(C[N@@H+](CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1O ZINC000825649669 608551532 /nfs/dbraw/zinc/55/15/32/608551532.db2.gz UTZXZEUMNCQDAR-CQSZACIVSA-N 0 3 367.453 3.554 20 10 FHCDHN CCOc1cccc(C[N@H+](CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000825649669 608551534 /nfs/dbraw/zinc/55/15/34/608551534.db2.gz UTZXZEUMNCQDAR-CQSZACIVSA-N 0 3 367.453 3.554 20 10 FHCDHN CCOc1cccc(C[N@@H+](CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000825649669 608551536 /nfs/dbraw/zinc/55/15/36/608551536.db2.gz UTZXZEUMNCQDAR-CQSZACIVSA-N 0 3 367.453 3.554 20 10 FHCDHN COc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1OC ZINC000160193724 927221809 /nfs/dbraw/zinc/22/18/09/927221809.db2.gz DRNBGXMJNTVBPA-GOSISDBHSA-N 0 3 357.450 3.591 20 10 FHCDHN COc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1OC ZINC000160193724 927221823 /nfs/dbraw/zinc/22/18/23/927221823.db2.gz DRNBGXMJNTVBPA-GOSISDBHSA-N 0 3 357.450 3.591 20 10 FHCDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)cc1)CCS2 ZINC000276198277 932035177 /nfs/dbraw/zinc/03/51/77/932035177.db2.gz YDLWVKHVQYHDOO-FQEVSTJZSA-N 0 3 370.518 3.859 20 10 FHCDHN O=C(CNC1(CO)CCCC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255310662 932144746 /nfs/dbraw/zinc/14/47/46/932144746.db2.gz KRYKGZZGGDPVNV-UHFFFAOYSA-N 0 3 352.438 3.935 20 10 FHCDHN COc1ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c([O-])c1OC ZINC000892022171 934851059 /nfs/dbraw/zinc/85/10/59/934851059.db2.gz TXNAOWWKHDCZHT-UHFFFAOYSA-N 0 3 371.477 3.838 20 10 FHCDHN COc1ccc(C[N@H+](Cc2ccccc2)CC2CCOCC2)c([O-])c1OC ZINC000892022171 934851064 /nfs/dbraw/zinc/85/10/64/934851064.db2.gz TXNAOWWKHDCZHT-UHFFFAOYSA-N 0 3 371.477 3.838 20 10 FHCDHN CCOc1cccc(CN[C@H](Cc2nc(C)no2)c2ccccc2)c1O ZINC000277663408 935791434 /nfs/dbraw/zinc/79/14/34/935791434.db2.gz OEVQHMPBFKVIKJ-QGZVFWFLSA-N 0 3 353.422 3.556 20 10 FHCDHN COc1ccc(CNc2cccc(CN3CCSCC3)c2)c(O)c1OC ZINC000892356861 938400064 /nfs/dbraw/zinc/40/00/64/938400064.db2.gz WRWOGFJKHYPUGN-UHFFFAOYSA-N 0 3 374.506 3.570 20 10 FHCDHN COc1ccc(CNCc2c(C)nn(-c3ccccc3)c2C)c(O)c1OC ZINC000892447656 939184710 /nfs/dbraw/zinc/18/47/10/939184710.db2.gz SPHFYOJHXXSGCC-UHFFFAOYSA-N 0 3 367.449 3.502 20 10 FHCDHN OC1CCN(c2ccc(CN[C@@H](c3cccnc3)C3CCC3)cc2F)CC1 ZINC000280449251 942182246 /nfs/dbraw/zinc/18/22/46/942182246.db2.gz DHLZAHOXRMLLLP-JOCHJYFZSA-N 0 3 369.484 3.813 20 10 FHCDHN O=C(Nc1cccnc1)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000378374375 942672482 /nfs/dbraw/zinc/67/24/82/942672482.db2.gz FYCLDCZZPOWMLM-UHFFFAOYSA-N 0 3 361.445 3.791 20 10 FHCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000182462572 942743276 /nfs/dbraw/zinc/74/32/76/942743276.db2.gz FNQHQZCXGWJUIE-NSHDSACASA-N 0 3 368.355 3.709 20 10 FHCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnc(Cc4ccccc4)n3C2)c([O-])c1 ZINC000363853945 942856281 /nfs/dbraw/zinc/85/62/81/942856281.db2.gz LGWLJUZOHDJUMN-AEFFLSMTSA-N 0 3 362.477 3.549 20 10 FHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000273742968 943026594 /nfs/dbraw/zinc/02/65/94/943026594.db2.gz MDZZMUHDJPFYFG-BGJPBQGDSA-N 0 3 353.871 3.642 20 10 FHCDHN COc1cc(C)cc(CNCc2ccc(C)cc2OC[C@@H]2CCOC2)c1O ZINC000894350839 944433586 /nfs/dbraw/zinc/43/35/86/944433586.db2.gz TWDTVSJXOLDPDE-QGZVFWFLSA-N 0 3 371.477 3.723 20 10 FHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1[O-] ZINC000310627333 946666609 /nfs/dbraw/zinc/66/66/09/946666609.db2.gz DGGIIQXBYCVCGI-KDOFPFPSSA-N 0 3 360.885 3.807 20 10 FHCDHN C[C@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1ccccc1[O-] ZINC000760034191 947575541 /nfs/dbraw/zinc/57/55/41/947575541.db2.gz LTOVLLBKXIBBPW-DZGCQCFKSA-N 0 3 364.283 3.657 20 10 FHCDHN CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821197965 599395285 /nfs/dbraw/zinc/39/52/85/599395285.db2.gz PRWGUJLCLWALLL-HNNXBMFYSA-N 0 3 350.470 3.564 20 10 FHCDHN CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821197965 599395287 /nfs/dbraw/zinc/39/52/87/599395287.db2.gz PRWGUJLCLWALLL-HNNXBMFYSA-N 0 3 350.470 3.564 20 10 FHCDHN [O-]c1ccccc1C[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCCO1 ZINC000160170065 927072575 /nfs/dbraw/zinc/07/25/75/927072575.db2.gz DJXQICPGYVKWCV-NRFANRHFSA-N 0 3 363.461 3.759 20 10 FHCDHN [O-]c1ccccc1C[N@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCCO1 ZINC000160170065 927072590 /nfs/dbraw/zinc/07/25/90/927072590.db2.gz DJXQICPGYVKWCV-NRFANRHFSA-N 0 3 363.461 3.759 20 10 FHCDHN Cc1cc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC001167330256 929927235 /nfs/dbraw/zinc/92/72/35/929927235.db2.gz ZJMKRRUJVNOARO-ZWKOTPCHSA-N 0 3 356.432 3.873 20 10 FHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2sccc2C(F)F)N(C)C)cc1 ZINC000891247269 930528951 /nfs/dbraw/zinc/52/89/51/930528951.db2.gz SFTXOJNDEADYGK-OAHLLOKOSA-N 0 3 367.465 3.784 20 10 FHCDHN COc1cc(CNC2(c3ccc(F)cc3F)CCOCC2)c(O)cc1C ZINC000160519830 930731575 /nfs/dbraw/zinc/73/15/75/930731575.db2.gz NXFSENZJSAEINP-UHFFFAOYSA-N 0 3 363.404 3.783 20 10 FHCDHN CN1CCN(c2ccc(CNc3cc4cc(F)ccc4cn3)cc2)CC1 ZINC001167426575 930949594 /nfs/dbraw/zinc/94/95/94/930949594.db2.gz KRIFPFHLZCCAHW-UHFFFAOYSA-N 0 3 350.441 3.738 20 10 FHCDHN [O-]c1cc(F)c(F)cc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCCC(F)(F)F ZINC001279108377 932003063 /nfs/dbraw/zinc/00/30/63/932003063.db2.gz UTVUZHAMKODPRW-GJZGRUSLSA-N 0 3 364.358 3.662 20 10 FHCDHN [O-]c1cc(F)c(F)cc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCCC(F)(F)F ZINC001279108377 932003068 /nfs/dbraw/zinc/00/30/68/932003068.db2.gz UTVUZHAMKODPRW-GJZGRUSLSA-N 0 3 364.358 3.662 20 10 FHCDHN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001279108377 932003085 /nfs/dbraw/zinc/00/30/85/932003085.db2.gz UTVUZHAMKODPRW-GJZGRUSLSA-N 0 3 364.358 3.662 20 10 FHCDHN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001279108377 932003094 /nfs/dbraw/zinc/00/30/94/932003094.db2.gz UTVUZHAMKODPRW-GJZGRUSLSA-N 0 3 364.358 3.662 20 10 FHCDHN COc1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)c(O)c1OC ZINC000891517844 932685815 /nfs/dbraw/zinc/68/58/15/932685815.db2.gz YOZDEAFMVOXDDB-OAHLLOKOSA-N 0 3 363.479 3.652 20 10 FHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccccc2N2CCOCC2)cc1 ZINC000161456729 936295998 /nfs/dbraw/zinc/29/59/98/936295998.db2.gz CKWKUAZATYJGFS-GOSISDBHSA-N 0 3 353.510 3.830 20 10 FHCDHN CCN(C)c1ccc([C@H](C)NCc2ccccc2N2CCOCC2)cc1 ZINC000161456864 936296028 /nfs/dbraw/zinc/29/60/28/936296028.db2.gz CKWKUAZATYJGFS-SFHVURJKSA-N 0 3 353.510 3.830 20 10 FHCDHN COc1cccc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1O ZINC000179754433 939931969 /nfs/dbraw/zinc/93/19/69/939931969.db2.gz POUPRRWMGOCQJG-DOTOQJQBSA-N 0 3 368.260 3.798 20 10 FHCDHN COc1ccc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c(O)c1OC ZINC000892693100 941313138 /nfs/dbraw/zinc/31/31/38/941313138.db2.gz BSMOMVQZOVZPNH-SJLPKXTDSA-N 0 3 361.413 3.558 20 10 FHCDHN COc1ccc([C@H](C)NCc2cc(Cl)cc(OC)c2O)c(OC)c1 ZINC000378875022 941522916 /nfs/dbraw/zinc/52/29/16/941522916.db2.gz YAWIVTLELSNZIH-NSHDSACASA-N 0 3 351.830 3.922 20 10 FHCDHN COc1ccc(CNCc2ccnc(OC3CCCCC3)c2)c(O)c1OC ZINC000892778789 941545927 /nfs/dbraw/zinc/54/59/27/941545927.db2.gz NGPKRLDUEGREBF-UHFFFAOYSA-N 0 3 372.465 3.806 20 10 FHCDHN COc1ccc(CNCc2cc(Cl)ccc2OC(F)F)c(O)c1OC ZINC000893083397 942002141 /nfs/dbraw/zinc/00/21/41/942002141.db2.gz MEOKRTUWQNHJTM-UHFFFAOYSA-N 0 3 373.783 3.954 20 10 FHCDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])CC1CCS(=O)(=O)CC1 ZINC000271793534 943051800 /nfs/dbraw/zinc/05/18/00/943051800.db2.gz ARNIVDVKRQSLMD-KRWDZBQOSA-N 0 3 373.518 3.780 20 10 FHCDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])CC1CCS(=O)(=O)CC1 ZINC000271793534 943051809 /nfs/dbraw/zinc/05/18/09/943051809.db2.gz ARNIVDVKRQSLMD-KRWDZBQOSA-N 0 3 373.518 3.780 20 10 FHCDHN COC(=O)c1ccc(C[N@H+](C)Cc2c([O-])ccc3ccc(OC)cc32)cc1 ZINC000025477210 944380294 /nfs/dbraw/zinc/38/02/94/944380294.db2.gz UXIOMXPDIOSFFF-UHFFFAOYSA-N 0 3 365.429 3.973 20 10 FHCDHN COC(=O)c1ccc(C[N@@H+](C)Cc2c([O-])ccc3ccc(OC)cc32)cc1 ZINC000025477210 944380301 /nfs/dbraw/zinc/38/03/01/944380301.db2.gz UXIOMXPDIOSFFF-UHFFFAOYSA-N 0 3 365.429 3.973 20 10 FHCDHN CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCCC1 ZINC000310605194 946351165 /nfs/dbraw/zinc/35/11/65/946351165.db2.gz DXFYJVZLJICROU-MRXNPFEDSA-N 0 3 352.450 3.704 20 10 FHCDHN Cc1cc(Br)cc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)c1[O-] ZINC000897080844 946569776 /nfs/dbraw/zinc/56/97/76/946569776.db2.gz DLANWNJXRNGKJT-OAHLLOKOSA-N 0 3 352.276 3.684 20 10 FHCDHN COc1ccc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)c(O)c1OC ZINC000894912957 946590418 /nfs/dbraw/zinc/59/04/18/946590418.db2.gz LSKCVABEUGDVQT-NRFANRHFSA-N 0 3 369.461 3.763 20 10 FHCDHN CCOc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c([O-])c1 ZINC000897267551 947081014 /nfs/dbraw/zinc/08/10/14/947081014.db2.gz LVMKMNTXBUEFIK-HXUWFJFHSA-N 0 3 369.461 3.642 20 10 FHCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)c1ccccc1[O-] ZINC000760034195 947578175 /nfs/dbraw/zinc/57/81/75/947578175.db2.gz LTOVLLBKXIBBPW-UKRRQHHQSA-N 0 3 364.283 3.657 20 10 FHCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H](N)c1ccccc1 ZINC000237217785 948556368 /nfs/dbraw/zinc/55/63/68/948556368.db2.gz OAUJAGROJMVFGQ-NRFANRHFSA-N 0 3 351.494 3.725 20 10 FHCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c([O-])c1C ZINC000359972122 206777573 /nfs/dbraw/zinc/77/75/73/206777573.db2.gz DUTCMOMXYIMFOD-KRWDZBQOSA-N 0 3 352.478 3.964 20 10 FHCDHN O=C([O-])c1cc2ccccc2c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000740097555 600428148 /nfs/dbraw/zinc/42/81/48/600428148.db2.gz LJUHHDHAMJDXBU-QGZVFWFLSA-N 0 3 368.477 3.694 20 10 FHCDHN CC[C@@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC000820921523 607086719 /nfs/dbraw/zinc/08/67/19/607086719.db2.gz ZBRBZHYTHXZLRE-IFXJQAMLSA-N 0 3 350.470 3.735 20 10 FHCDHN CC[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC000820921523 607086721 /nfs/dbraw/zinc/08/67/21/607086721.db2.gz ZBRBZHYTHXZLRE-IFXJQAMLSA-N 0 3 350.470 3.735 20 10 FHCDHN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(C)cc(C)c1O ZINC000825317766 607846216 /nfs/dbraw/zinc/84/62/16/607846216.db2.gz AJPFESQKIUJMQX-UHFFFAOYSA-N 0 3 351.454 3.601 20 10 FHCDHN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(C)cc(C)c1O ZINC000825317766 607846217 /nfs/dbraw/zinc/84/62/17/607846217.db2.gz AJPFESQKIUJMQX-UHFFFAOYSA-N 0 3 351.454 3.601 20 10 FHCDHN CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(C)cc(C)c1O ZINC000825317766 607846218 /nfs/dbraw/zinc/84/62/18/607846218.db2.gz AJPFESQKIUJMQX-UHFFFAOYSA-N 0 3 351.454 3.601 20 10 FHCDHN CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(C)cc(C)c1O ZINC000825317766 607846219 /nfs/dbraw/zinc/84/62/19/607846219.db2.gz AJPFESQKIUJMQX-UHFFFAOYSA-N 0 3 351.454 3.601 20 10 FHCDHN Oc1ccccc1C[N@H+](Cc1cc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC000826511583 608496344 /nfs/dbraw/zinc/49/63/44/608496344.db2.gz WPPGKASCXDLPCL-UHFFFAOYSA-N 0 3 369.494 3.969 20 10 FHCDHN Oc1ccccc1C[N@@H+](Cc1cc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC000826511583 608496346 /nfs/dbraw/zinc/49/63/46/608496346.db2.gz WPPGKASCXDLPCL-UHFFFAOYSA-N 0 3 369.494 3.969 20 10 FHCDHN Cc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c(C)n1-c1ccccn1 ZINC000247968805 937131459 /nfs/dbraw/zinc/13/14/59/937131459.db2.gz FHMOATKZZPSYJM-IRLDBZIGSA-N 0 3 374.488 3.664 20 10 FHCDHN [O-]c1ccccc1C[N@@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CCCO1 ZINC000160188212 927162405 /nfs/dbraw/zinc/16/24/05/927162405.db2.gz RWICWZKVPQLTRS-FQEVSTJZSA-N 0 3 351.446 3.849 20 10 FHCDHN [O-]c1ccccc1C[N@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CCCO1 ZINC000160188212 927162429 /nfs/dbraw/zinc/16/24/29/927162429.db2.gz RWICWZKVPQLTRS-FQEVSTJZSA-N 0 3 351.446 3.849 20 10 FHCDHN COc1cc(C)cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000090724093 933710054 /nfs/dbraw/zinc/71/00/54/933710054.db2.gz KZDSZFLJBOYUFU-INIZCTEOSA-N 0 3 358.457 3.830 20 10 FHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)Cc3ccc([S@](C)=O)cc3)c2c1 ZINC000176125229 933750431 /nfs/dbraw/zinc/75/04/31/933750431.db2.gz BYLPZXBBRIEMAX-SANMLTNESA-N 0 3 369.486 3.923 20 10 FHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)Cc3ccc([S@](C)=O)cc3)c2c1 ZINC000176125229 933750433 /nfs/dbraw/zinc/75/04/33/933750433.db2.gz BYLPZXBBRIEMAX-SANMLTNESA-N 0 3 369.486 3.923 20 10 FHCDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)cc1)CCC2 ZINC000278332515 938310925 /nfs/dbraw/zinc/31/09/25/938310925.db2.gz WNBARHQUPDASNY-NRFANRHFSA-N 0 3 367.449 3.599 20 10 FHCDHN Cc1ccc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)c(O)c1O ZINC000177677746 940348971 /nfs/dbraw/zinc/34/89/71/940348971.db2.gz FNJNICHYHRIZNP-UHFFFAOYSA-N 0 3 372.490 3.516 20 10 FHCDHN COc1ccc(OCc2ccccn2)c(CNCc2ccccc2O)c1 ZINC000725851866 940751155 /nfs/dbraw/zinc/75/11/55/940751155.db2.gz ZANFGIXDTQXVGN-UHFFFAOYSA-N 0 3 350.418 3.665 20 10 FHCDHN CC(=O)c1cc(F)cc(C[NH+]2CCC(CCCn3ccnc3)CC2)c1[O-] ZINC000783031702 941783174 /nfs/dbraw/zinc/78/31/74/941783174.db2.gz VXLCRCVWSAIYQE-UHFFFAOYSA-N 0 3 359.445 3.623 20 10 FHCDHN COc1cccc(CNCc2c(Cl)n(C)nc2-c2ccccc2)c1O ZINC000377631251 941856620 /nfs/dbraw/zinc/85/66/20/941856620.db2.gz RLMQJMLNIDWFDW-UHFFFAOYSA-N 0 3 357.841 3.745 20 10 FHCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000180490543 942374667 /nfs/dbraw/zinc/37/46/67/942374667.db2.gz WNEQZSSSTLWYLN-UHFFFAOYSA-N 0 3 368.408 3.674 20 10 FHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001167735281 942581416 /nfs/dbraw/zinc/58/14/16/942581416.db2.gz XQRXIXLAQHUUDP-HNNXBMFYSA-N 0 3 356.249 3.571 20 10 FHCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001167735281 942581423 /nfs/dbraw/zinc/58/14/23/942581423.db2.gz XQRXIXLAQHUUDP-HNNXBMFYSA-N 0 3 356.249 3.571 20 10 FHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C2CC2)C2CCC(C)CC2)c1 ZINC000182322737 942715898 /nfs/dbraw/zinc/71/58/98/942715898.db2.gz WQXWGPAXSARAOR-PCKAHOCUSA-N 0 3 360.498 3.621 20 10 FHCDHN C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1cc(F)ccc1[O-] ZINC000185629820 943196898 /nfs/dbraw/zinc/19/68/98/943196898.db2.gz CCZDLYGNUHOGJR-INIZCTEOSA-N 0 3 370.468 3.663 20 10 FHCDHN Fc1cccc(F)c1[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000187595370 943368562 /nfs/dbraw/zinc/36/85/62/943368562.db2.gz ISXMUGVWHMQRFG-QGZVFWFLSA-N 0 3 358.432 3.791 20 10 FHCDHN CCOCCOc1cc(C)ccc1CNCc1cc(C)cc(OC)c1O ZINC000894347862 944318414 /nfs/dbraw/zinc/31/84/14/944318414.db2.gz SYZLRAOPGAGKTI-UHFFFAOYSA-N 0 3 359.466 3.723 20 10 FHCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000297374675 944340729 /nfs/dbraw/zinc/34/07/29/944340729.db2.gz QROCUHKMRRWSOE-HOTGVXAUSA-N 0 3 355.438 3.843 20 10 FHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001167982692 944554893 /nfs/dbraw/zinc/55/48/93/944554893.db2.gz FWLTYAZSXMXXKQ-LZLYRXPVSA-N 0 3 373.415 3.873 20 10 FHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001167982692 944554899 /nfs/dbraw/zinc/55/48/99/944554899.db2.gz FWLTYAZSXMXXKQ-LZLYRXPVSA-N 0 3 373.415 3.873 20 10 FHCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001167982689 944555416 /nfs/dbraw/zinc/55/54/16/944555416.db2.gz FWLTYAZSXMXXKQ-JZXOWHBKSA-N 0 3 373.415 3.873 20 10 FHCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001167982689 944555420 /nfs/dbraw/zinc/55/54/20/944555420.db2.gz FWLTYAZSXMXXKQ-JZXOWHBKSA-N 0 3 373.415 3.873 20 10 FHCDHN COc1ccnc(N2CCN(Cc3cc(C(C)C)c(C)cc3O)CC2)c1 ZINC000729468469 944559359 /nfs/dbraw/zinc/55/93/59/944559359.db2.gz SSPHXIQGOQEFRD-UHFFFAOYSA-N 0 3 355.482 3.550 20 10 FHCDHN Cc1cc(N(C)C)ccc1CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000780526571 944584007 /nfs/dbraw/zinc/58/40/07/944584007.db2.gz HDHWWSBKMPQKOY-UHFFFAOYSA-N 0 3 352.457 3.735 20 10 FHCDHN COc1cc(C)cc(CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1O ZINC000894781776 944606018 /nfs/dbraw/zinc/60/60/18/944606018.db2.gz HMGGWDIPWWTCLJ-DOTOQJQBSA-N 0 3 359.491 3.710 20 10 FHCDHN CC(C)(C)c1cccc2c1OCCN2C(=O)c1cccc2c1CCNC2 ZINC000662809235 946033510 /nfs/dbraw/zinc/03/35/10/946033510.db2.gz NHRLDTFAWFOVGB-UHFFFAOYSA-N 0 3 350.462 3.669 20 10 FHCDHN Cc1ccc([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c([O-])c1 ZINC000840759971 946178914 /nfs/dbraw/zinc/17/89/14/946178914.db2.gz PYLPCRKWADGNJH-AWEZNQCLSA-N 0 3 362.420 3.666 20 10 FHCDHN Cc1c([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000165184163 947704212 /nfs/dbraw/zinc/70/42/12/947704212.db2.gz YXEKVQFQJITAEQ-OAHLLOKOSA-N 0 3 373.428 3.730 20 10 FHCDHN C[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1ccccc1[O-] ZINC000760040350 948298788 /nfs/dbraw/zinc/29/87/88/948298788.db2.gz JLMJYWLKHDBTBH-DZGCQCFKSA-N 0 3 364.283 3.657 20 10 FHCDHN CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821164478 607085968 /nfs/dbraw/zinc/08/59/68/607085968.db2.gz DSSQWWXDAINWAD-LSDHHAIUSA-N 0 3 350.470 3.735 20 10 FHCDHN CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821164478 607085969 /nfs/dbraw/zinc/08/59/69/607085969.db2.gz DSSQWWXDAINWAD-LSDHHAIUSA-N 0 3 350.470 3.735 20 10 FHCDHN Cc1cc(C)c(O)c(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000826263539 607846532 /nfs/dbraw/zinc/84/65/32/607846532.db2.gz GNEHJVJGMAXJSA-UHFFFAOYSA-N 0 3 351.454 3.600 20 10 FHCDHN Cc1cc(C)c(O)c(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000826263539 607846533 /nfs/dbraw/zinc/84/65/33/607846533.db2.gz GNEHJVJGMAXJSA-UHFFFAOYSA-N 0 3 351.454 3.600 20 10 FHCDHN Cc1cc(C)c(O)c(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000826263539 607846534 /nfs/dbraw/zinc/84/65/34/607846534.db2.gz GNEHJVJGMAXJSA-UHFFFAOYSA-N 0 3 351.454 3.600 20 10 FHCDHN Cc1cc(C)c(O)c(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000826263539 607846535 /nfs/dbraw/zinc/84/65/35/607846535.db2.gz GNEHJVJGMAXJSA-UHFFFAOYSA-N 0 3 351.454 3.600 20 10 FHCDHN CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435300 608550513 /nfs/dbraw/zinc/55/05/13/608550513.db2.gz SRMBTDLOTUYBLL-CQSZACIVSA-N 0 3 368.460 3.655 20 10 FHCDHN CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435300 608550515 /nfs/dbraw/zinc/55/05/15/608550515.db2.gz SRMBTDLOTUYBLL-CQSZACIVSA-N 0 3 368.460 3.655 20 10 FHCDHN CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435300 608550517 /nfs/dbraw/zinc/55/05/17/608550517.db2.gz SRMBTDLOTUYBLL-CQSZACIVSA-N 0 3 368.460 3.655 20 10 FHCDHN CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435300 608550519 /nfs/dbraw/zinc/55/05/19/608550519.db2.gz SRMBTDLOTUYBLL-CQSZACIVSA-N 0 3 368.460 3.655 20 10 FHCDHN Cc1ccc(O)c(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1 ZINC000826291798 608570523 /nfs/dbraw/zinc/57/05/23/608570523.db2.gz WMEUIIYXHPGSGM-UHFFFAOYSA-N 0 3 351.454 3.539 20 10 FHCDHN Cc1ccc(O)c(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)c1 ZINC000826291798 608570525 /nfs/dbraw/zinc/57/05/25/608570525.db2.gz WMEUIIYXHPGSGM-UHFFFAOYSA-N 0 3 351.454 3.539 20 10 FHCDHN Cc1ccc(O)c(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1 ZINC000826291798 608570526 /nfs/dbraw/zinc/57/05/26/608570526.db2.gz WMEUIIYXHPGSGM-UHFFFAOYSA-N 0 3 351.454 3.539 20 10 FHCDHN Cc1ccc(O)c(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)c1 ZINC000826291798 608570528 /nfs/dbraw/zinc/57/05/28/608570528.db2.gz WMEUIIYXHPGSGM-UHFFFAOYSA-N 0 3 351.454 3.539 20 10 FHCDHN CCc1nc2c(s1)[C@@H](N(C)Cc1cc(OC)c(OC)cc1O)CCC2 ZINC000160425328 930365067 /nfs/dbraw/zinc/36/50/67/930365067.db2.gz JHPQKCIAAIYIOE-AWEZNQCLSA-N 0 3 362.495 3.938 20 10 FHCDHN CC[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000178202278 932872585 /nfs/dbraw/zinc/87/25/85/932872585.db2.gz PIDWGAWZYNXRIS-OAHLLOKOSA-N 0 3 365.399 3.849 20 10 FHCDHN C[C@H]1CN(CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000101595655 932982998 /nfs/dbraw/zinc/98/29/98/932982998.db2.gz ZJZZYDOJLGYUDV-STQMWFEESA-N 0 3 361.313 3.678 20 10 FHCDHN C[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000277154246 934636806 /nfs/dbraw/zinc/63/68/06/934636806.db2.gz QMJHZQYSRKDJDA-ZDUSSCGKSA-N 0 3 366.914 3.660 20 10 FHCDHN C[C@H](N[C@@H]1CCc2c1cccc2O)c1ccc(N2CCOCC2)c(F)c1 ZINC000130650084 938426300 /nfs/dbraw/zinc/42/63/00/938426300.db2.gz HTAHSINCUYVQPX-IFXJQAMLSA-N 0 3 356.441 3.706 20 10 FHCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H]3C(=O)N(C)C3CC3)CC2)c1[O-] ZINC000376506589 941095781 /nfs/dbraw/zinc/09/57/81/941095781.db2.gz QNZAWWOWIHEAFC-QGZVFWFLSA-N 0 3 362.901 3.577 20 10 FHCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000066688248 941149192 /nfs/dbraw/zinc/14/91/92/941149192.db2.gz GEDLZHKOPYQQGC-IBGZPJMESA-N 0 3 355.482 3.617 20 10 FHCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000066688250 941149240 /nfs/dbraw/zinc/14/92/40/941149240.db2.gz GEDLZHKOPYQQGC-LJQANCHMSA-N 0 3 355.482 3.617 20 10 FHCDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CC12CCC2 ZINC000311270733 941163328 /nfs/dbraw/zinc/16/33/28/941163328.db2.gz HHNLBJWHNLCTFG-MRXNPFEDSA-N 0 3 364.461 3.943 20 10 FHCDHN Cc1cc(O)c(CN(CCO)Cc2cc(Br)cs2)cc1C ZINC000756122323 941365112 /nfs/dbraw/zinc/36/51/12/941365112.db2.gz PVQHQQBBFONHMJ-UHFFFAOYSA-N 0 3 370.312 3.828 20 10 FHCDHN CCOc1cc(Cl)ccc1CNCc1ccc(OC)c(OC)c1O ZINC000893186955 942486782 /nfs/dbraw/zinc/48/67/82/942486782.db2.gz JKZCKMVBWOKFTN-UHFFFAOYSA-N 0 3 351.830 3.751 20 10 FHCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(Cc4ccccc4)n3C2)c([O-])c1 ZINC000363853950 942856533 /nfs/dbraw/zinc/85/65/33/942856533.db2.gz LGWLJUZOHDJUMN-SJLPKXTDSA-N 0 3 362.477 3.549 20 10 FHCDHN C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(Br)ccc1[O-] ZINC000273460882 942961973 /nfs/dbraw/zinc/96/19/73/942961973.db2.gz CPDVEFCNZUNSIF-GFCCVEGCSA-N 0 3 353.304 3.822 20 10 FHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CSCCN2Cc2ccccc2)c([O-])c1 ZINC000760017138 943089266 /nfs/dbraw/zinc/08/92/66/943089266.db2.gz LBPNAVFSUBEKTA-PKOBYXMFSA-N 0 3 356.535 3.969 20 10 FHCDHN COCCn1ncc2c1[C@@H]([NH2+]Cc1c([O-])ccc3ccccc31)CCC2 ZINC000363967586 943234319 /nfs/dbraw/zinc/23/43/19/943234319.db2.gz GUGWXTZCNQTDRQ-IBGZPJMESA-N 0 3 351.450 3.556 20 10 FHCDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])CC12CCC2 ZINC000311270731 944485626 /nfs/dbraw/zinc/48/56/26/944485626.db2.gz HHNLBJWHNLCTFG-INIZCTEOSA-N 0 3 364.461 3.943 20 10 FHCDHN CC[C@H](c1ccccc1)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759872779 944661324 /nfs/dbraw/zinc/66/13/24/944661324.db2.gz PABNPBSWDHVVBQ-LJQANCHMSA-N 0 3 370.493 3.986 20 10 FHCDHN COc1ccc(N2CCCN(CCOc3ccccc3Cl)CC2)cc1 ZINC000302927428 946388874 /nfs/dbraw/zinc/38/88/74/946388874.db2.gz BGVSRGABLXDBFA-UHFFFAOYSA-N 0 3 360.885 3.940 20 10 FHCDHN OCC1(C(F)(F)F)CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000897034202 946503055 /nfs/dbraw/zinc/50/30/55/946503055.db2.gz JBJPOIDXIJRXKH-UHFFFAOYSA-N 0 3 356.432 3.814 20 10 FHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897260962 947057863 /nfs/dbraw/zinc/05/78/63/947057863.db2.gz UDPLMHZHHYKLSR-HXUWFJFHSA-N 0 3 353.462 3.565 20 10 FHCDHN COc1cc(O)c(CN[C@@H](C)c2cc(Cl)cc3c2OCC3)cc1OC ZINC000897338651 947753025 /nfs/dbraw/zinc/75/30/25/947753025.db2.gz VDIYWWQERPYRNB-NSHDSACASA-N 0 3 363.841 3.849 20 10 FHCDHN CC[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cc(Br)ccc1[O-] ZINC000278960859 948340396 /nfs/dbraw/zinc/34/03/96/948340396.db2.gz MIRIKHMVJUEICC-DOMZBBRYSA-N 0 3 364.287 3.655 20 10 FHCDHN C[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCCCC2)cc1 ZINC000820432965 606996884 /nfs/dbraw/zinc/99/68/84/606996884.db2.gz UNDHKZLFLSYRRL-INIZCTEOSA-N 0 3 362.481 3.708 20 10 FHCDHN C[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCCCC2)cc1 ZINC000820432965 606996886 /nfs/dbraw/zinc/99/68/86/606996886.db2.gz UNDHKZLFLSYRRL-INIZCTEOSA-N 0 3 362.481 3.708 20 10 FHCDHN COCCOc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000160174322 927088842 /nfs/dbraw/zinc/08/88/42/927088842.db2.gz XUYOUJACJNMVLZ-OAQYLSRUSA-N 0 3 371.477 3.599 20 10 FHCDHN COCCOc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000160174322 927088851 /nfs/dbraw/zinc/08/88/51/927088851.db2.gz XUYOUJACJNMVLZ-OAQYLSRUSA-N 0 3 371.477 3.599 20 10 FHCDHN C[C@H](NCc1ccc(C(N)=O)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154663638 929135842 /nfs/dbraw/zinc/13/58/42/929135842.db2.gz ZYNLAFPZZWHEDW-HNNXBMFYSA-N 0 3 355.457 3.766 20 10 FHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000157056948 931810255 /nfs/dbraw/zinc/81/02/55/931810255.db2.gz FELYHKIRYYGXSZ-HNNXBMFYSA-N 0 3 372.465 3.649 20 10 FHCDHN Cc1c([C@H](C)NCc2ccc(N3CCOCC3)cc2)cnn1C(C)(C)C ZINC000276295267 932146347 /nfs/dbraw/zinc/14/63/47/932146347.db2.gz BUUPEFOZZFIGEH-INIZCTEOSA-N 0 3 356.514 3.634 20 10 FHCDHN COc1ccc([C@H]2CCCN2Cc2ccc(OC)c(OC)c2O)cc1OC ZINC000891552639 932746925 /nfs/dbraw/zinc/74/69/25/932746925.db2.gz CSNKNNMYFRCHEY-MRXNPFEDSA-N 0 3 373.449 3.764 20 10 FHCDHN CCc1nc2c(s1)[C@H](N(C)Cc1ccc(OC)c(OC)c1O)CCC2 ZINC000892141395 935108062 /nfs/dbraw/zinc/10/80/62/935108062.db2.gz SQYKMSIKSLMAAH-CQSZACIVSA-N 0 3 362.495 3.938 20 10 FHCDHN COCc1cccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000158523830 935615982 /nfs/dbraw/zinc/61/59/82/935615982.db2.gz XYZVVAXAMWSVRP-INIZCTEOSA-N 0 3 358.457 3.660 20 10 FHCDHN CCCOc1ccc(C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)c([O-])c1 ZINC000277635109 935763720 /nfs/dbraw/zinc/76/37/20/935763720.db2.gz LIXMMMFDSLOHON-IBGZPJMESA-N 0 3 367.449 3.946 20 10 FHCDHN C[C@H](N[C@@H](CCCO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160897330 936158249 /nfs/dbraw/zinc/15/82/49/936158249.db2.gz PSEPKHKXPWEHQA-UWJYYQICSA-N 0 3 372.484 3.827 20 10 FHCDHN CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000176992485 939027315 /nfs/dbraw/zinc/02/73/15/939027315.db2.gz IFUXYBLSNNXHKJ-UHFFFAOYSA-N 0 3 361.493 3.890 20 10 FHCDHN CC[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccccc1[O-] ZINC000376075074 940275551 /nfs/dbraw/zinc/27/55/51/940275551.db2.gz STXGNOWQQZZILQ-INIZCTEOSA-N 0 3 361.873 3.719 20 10 FHCDHN CN(C(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2)C1CC1 ZINC000378437024 942762687 /nfs/dbraw/zinc/76/26/87/942762687.db2.gz RQPOROLMMQQQTA-FQEVSTJZSA-N 0 3 364.489 3.768 20 10 FHCDHN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000183445917 942874302 /nfs/dbraw/zinc/87/43/02/942874302.db2.gz QSILUCONCGBHMG-TZMCWYRMSA-N 0 3 355.356 3.502 20 10 FHCDHN COc1ccc(O)c([C@H](C)N[C@H](CO)c2ccc(Br)cc2)c1 ZINC000273497327 942971243 /nfs/dbraw/zinc/97/12/43/942971243.db2.gz PLGURRBSOVXBHP-MEDUHNTESA-N 0 3 366.255 3.548 20 10 FHCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1[O-] ZINC000273742975 943026358 /nfs/dbraw/zinc/02/63/58/943026358.db2.gz MDZZMUHDJPFYFG-QVQLBTGDSA-N 0 3 353.871 3.642 20 10 FHCDHN CCN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000517674867 944482379 /nfs/dbraw/zinc/48/23/79/944482379.db2.gz CJAAPMACVVNVGB-IBGZPJMESA-N 0 3 371.525 3.509 20 10 FHCDHN COC(=O)c1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1C ZINC001167983897 944686827 /nfs/dbraw/zinc/68/68/27/944686827.db2.gz OHNDQQLENNWWJM-LJQANCHMSA-N 0 3 369.461 3.668 20 10 FHCDHN COC(=O)c1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1C ZINC001167983897 944686834 /nfs/dbraw/zinc/68/68/34/944686834.db2.gz OHNDQQLENNWWJM-LJQANCHMSA-N 0 3 369.461 3.668 20 10 FHCDHN COc1ccc(O)c([C@@H](C)NCc2ccncc2OCC(F)(F)F)c1 ZINC000281161930 945546625 /nfs/dbraw/zinc/54/66/25/945546625.db2.gz BMPGUBUHFWYCEP-LLVKDONJSA-N 0 3 356.344 3.588 20 10 FHCDHN COc1ccc(O)c([C@H](C)NCc2ccncc2OCC(F)(F)F)c1 ZINC000281161933 945546725 /nfs/dbraw/zinc/54/67/25/945546725.db2.gz BMPGUBUHFWYCEP-NSHDSACASA-N 0 3 356.344 3.588 20 10 FHCDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000760038541 948121815 /nfs/dbraw/zinc/12/18/15/948121815.db2.gz CEXFPYXERNGVDR-LCRVZXNPSA-N 0 3 359.416 3.975 20 10 FHCDHN CC[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cc(Br)ccc1[O-] ZINC000278960861 948340353 /nfs/dbraw/zinc/34/03/53/948340353.db2.gz MIRIKHMVJUEICC-SWLSCSKDSA-N 0 3 364.287 3.655 20 10 FHCDHN CCCn1nc(C)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1C ZINC000160170489 927072453 /nfs/dbraw/zinc/07/24/53/927072453.db2.gz UJHGFMZYZKCVCH-LJQANCHMSA-N 0 3 357.498 3.797 20 10 FHCDHN C[NH+]1CCC2(CC1)CN(Cc1cc(F)c(F)cc1[O-])Cc1ccccc12 ZINC001279106094 928646316 /nfs/dbraw/zinc/64/63/16/928646316.db2.gz HJQGLFFXCZKASC-UHFFFAOYSA-N 0 3 358.432 3.650 20 10 FHCDHN Cc1cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC001167330255 929927306 /nfs/dbraw/zinc/92/73/06/929927306.db2.gz ZJMKRRUJVNOARO-ROUUACIJSA-N 0 3 356.432 3.873 20 10 FHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000471552265 930464512 /nfs/dbraw/zinc/46/45/12/930464512.db2.gz RDAQGWNMIIWKFM-IBGZPJMESA-N 0 3 364.493 3.589 20 10 FHCDHN CCCOc1ccc(C[NH+]2CCC(c3noc(C(F)F)n3)CC2)c([O-])c1 ZINC000376042505 940234364 /nfs/dbraw/zinc/23/43/64/940234364.db2.gz LSAQALHZAGXCQL-UHFFFAOYSA-N 0 3 367.396 3.881 20 10 FHCDHN Cc1nn(C(C)C)c(C)c1CNCc1ccc(N2CCSCC2)cc1 ZINC000892612693 940966149 /nfs/dbraw/zinc/96/61/49/940966149.db2.gz LWALPNNIQCHTLR-UHFFFAOYSA-N 0 3 358.555 3.924 20 10 FHCDHN COc1cc(CN2CCC(Oc3cnccn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000782894257 941166234 /nfs/dbraw/zinc/16/62/34/941166234.db2.gz QYWHWGDSYDZEBC-UHFFFAOYSA-N 0 3 371.481 3.532 20 10 FHCDHN COc1ccc(CNCc2ccc(Br)cc2F)c(O)c1OC ZINC000892974846 941825913 /nfs/dbraw/zinc/82/59/13/941825913.db2.gz ICNXHSDXCAEIEM-UHFFFAOYSA-N 0 3 370.218 3.601 20 10 FHCDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(C)c(C)c2O)s1 ZINC000280191437 942123636 /nfs/dbraw/zinc/12/36/36/942123636.db2.gz SFHPPWQLBWSDCV-ZDUSSCGKSA-N 0 3 353.509 3.715 20 10 FHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc(C#N)cc3)cc2F)CC1 ZINC000181722504 942601947 /nfs/dbraw/zinc/60/19/47/942601947.db2.gz SAVBPTJMCPQOOJ-QGZVFWFLSA-N 0 3 366.484 3.690 20 10 FHCDHN C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862793 942879953 /nfs/dbraw/zinc/87/99/53/942879953.db2.gz ZEYJVWRAUCFFNS-WCFLWFBJSA-N 0 3 357.267 3.571 20 10 FHCDHN C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862793 942879959 /nfs/dbraw/zinc/87/99/59/942879959.db2.gz ZEYJVWRAUCFFNS-WCFLWFBJSA-N 0 3 357.267 3.571 20 10 FHCDHN CC[C@@H]1Oc2cc([C@H](C)NCc3ccc(N(C)C)cc3)ccc2NC1=O ZINC000271966831 943076528 /nfs/dbraw/zinc/07/65/28/943076528.db2.gz IBLVTJJQNDVUEX-LIRRHRJNSA-N 0 3 353.466 3.713 20 10 FHCDHN Cc1cc(C)nc(N2CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)n1 ZINC000783602067 946808554 /nfs/dbraw/zinc/80/85/54/946808554.db2.gz DGTPGWJXJZWACX-UHFFFAOYSA-N 0 3 374.488 3.788 20 10 FHCDHN Cc1c([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000165184269 947703983 /nfs/dbraw/zinc/70/39/83/947703983.db2.gz YXEKVQFQJITAEQ-HNNXBMFYSA-N 0 3 373.428 3.730 20 10 FHCDHN O=C(c1cccc2c1CCNC2)N1CCCc2cc(OC(F)F)ccc21 ZINC000662524791 947888638 /nfs/dbraw/zinc/88/86/38/947888638.db2.gz PCIOWFIJFGWJHK-UHFFFAOYSA-N 0 3 358.388 3.527 20 10 FHCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)c1ccccc1[O-] ZINC000760040356 948299156 /nfs/dbraw/zinc/29/91/56/948299156.db2.gz JLMJYWLKHDBTBH-UKRRQHHQSA-N 0 3 364.283 3.657 20 10 FHCDHN COc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc(OC)c1 ZINC000160185183 927150396 /nfs/dbraw/zinc/15/03/96/927150396.db2.gz PNRYRXFWPXBXQO-GOSISDBHSA-N 0 3 357.450 3.591 20 10 FHCDHN COc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc(OC)c1 ZINC000160185183 927150403 /nfs/dbraw/zinc/15/04/03/927150403.db2.gz PNRYRXFWPXBXQO-GOSISDBHSA-N 0 3 357.450 3.591 20 10 FHCDHN COc1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc(OC)c1 ZINC000160185183 927150404 /nfs/dbraw/zinc/15/04/04/927150404.db2.gz PNRYRXFWPXBXQO-GOSISDBHSA-N 0 3 357.450 3.591 20 10 FHCDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000089638079 933514548 /nfs/dbraw/zinc/51/45/48/933514548.db2.gz MJNXXUQABXTHQQ-SJORKVTESA-N 0 3 352.544 3.541 20 10 FHCDHN Cc1ccc([C@@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c(O)c1C ZINC000277172282 934733563 /nfs/dbraw/zinc/73/35/63/934733563.db2.gz SCAWEGPUXAFBDB-CYBMUJFWSA-N 0 3 367.898 3.917 20 10 FHCDHN CC(C)CCn1cccc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000161768810 938303592 /nfs/dbraw/zinc/30/35/92/938303592.db2.gz RWHASKJRQOLEMN-UHFFFAOYSA-N 0 3 373.516 3.924 20 10 FHCDHN CC[C@@H](C)C(=O)Nc1cccc(CNCc2ccc(OC)c(OC)c2O)c1 ZINC000892646722 941070522 /nfs/dbraw/zinc/07/05/22/941070522.db2.gz YHIWJQDGOJOBMG-CQSZACIVSA-N 0 3 372.465 3.684 20 10 FHCDHN COc1ccc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c(O)c1OC ZINC000892693098 941313301 /nfs/dbraw/zinc/31/33/01/941313301.db2.gz BSMOMVQZOVZPNH-AEFFLSMTSA-N 0 3 361.413 3.558 20 10 FHCDHN C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862792 942880110 /nfs/dbraw/zinc/88/01/10/942880110.db2.gz ZEYJVWRAUCFFNS-UHTWSYAYSA-N 0 3 357.267 3.571 20 10 FHCDHN C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862792 942880113 /nfs/dbraw/zinc/88/01/13/942880113.db2.gz ZEYJVWRAUCFFNS-UHTWSYAYSA-N 0 3 357.267 3.571 20 10 FHCDHN CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc(N(C)C)cc3)ccc2NC1=O ZINC000271966830 943076242 /nfs/dbraw/zinc/07/62/42/943076242.db2.gz IBLVTJJQNDVUEX-KUHUBIRLSA-N 0 3 353.466 3.713 20 10 FHCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CSCCN2Cc2ccccc2)c([O-])c1 ZINC000760017130 943088602 /nfs/dbraw/zinc/08/86/02/943088602.db2.gz LBPNAVFSUBEKTA-HKUYNNGSSA-N 0 3 356.535 3.969 20 10 FHCDHN COC(=O)c1[nH]c2ccccc2c1CN[C@@H](C)c1cc(OC)ccc1O ZINC000894783429 944610289 /nfs/dbraw/zinc/61/02/89/944610289.db2.gz ULTQUGZOEHZLER-LBPRGKRZSA-N 0 3 354.406 3.520 20 10 FHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cccc(O)c3)cc2F)CC1 ZINC000194887203 944758744 /nfs/dbraw/zinc/75/87/44/944758744.db2.gz HIOIPTAARHAXDS-MRXNPFEDSA-N 0 3 357.473 3.524 20 10 FHCDHN O=C1CCCN1C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000093087874 945533177 /nfs/dbraw/zinc/53/31/77/945533177.db2.gz KLTSPTDXOBFQNP-UHFFFAOYSA-N 0 3 350.462 3.646 20 10 FHCDHN OCC1CCN(c2ccc(CN[C@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281362941 945614156 /nfs/dbraw/zinc/61/41/56/945614156.db2.gz WEWVHLVRVNQMHX-QFIPXVFZSA-N 0 3 369.484 3.670 20 10 FHCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000310647615 946358915 /nfs/dbraw/zinc/35/89/15/946358915.db2.gz DUAPZPROXYECBF-KCQAQPDRSA-N 0 3 352.450 3.970 20 10 FHCDHN CC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000840883534 946363463 /nfs/dbraw/zinc/36/34/63/946363463.db2.gz FFNCYFWCJHSNAH-HXUWFJFHSA-N 0 3 372.484 3.599 20 10 FHCDHN Cc1c2ccccc2n(C)c1CNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000475198737 946712046 /nfs/dbraw/zinc/71/20/46/946712046.db2.gz YFFMSODMGJQIKO-UHFFFAOYSA-N 0 3 374.444 3.895 20 10 FHCDHN Cn1nc(C2CC2)cc1CNCc1ccc(OCc2ccccc2)cc1O ZINC000897224836 946955217 /nfs/dbraw/zinc/95/52/17/946955217.db2.gz VTSIQCOWXSLYCJ-UHFFFAOYSA-N 0 3 363.461 3.872 20 10 FHCDHN Cn1nc(C2CC2)cc1C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000897224836 946955227 /nfs/dbraw/zinc/95/52/27/946955227.db2.gz VTSIQCOWXSLYCJ-UHFFFAOYSA-N 0 3 363.461 3.872 20 10 FHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000760038543 948121846 /nfs/dbraw/zinc/12/18/46/948121846.db2.gz CEXFPYXERNGVDR-SYHFTWANSA-N 0 3 359.416 3.975 20 10 FHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)c1[O-] ZINC000278983588 948364392 /nfs/dbraw/zinc/36/43/92/948364392.db2.gz PEONLVWJGJTCFR-OLZOCXBDSA-N 0 3 364.287 3.573 20 10 FHCDHN CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821164476 607085931 /nfs/dbraw/zinc/08/59/31/607085931.db2.gz DSSQWWXDAINWAD-GJZGRUSLSA-N 0 3 350.470 3.735 20 10 FHCDHN CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821164476 607085932 /nfs/dbraw/zinc/08/59/32/607085932.db2.gz DSSQWWXDAINWAD-GJZGRUSLSA-N 0 3 350.470 3.735 20 10 FHCDHN CCOc1ccc(O)c(C[N@H+](CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825643976 608551073 /nfs/dbraw/zinc/55/10/73/608551073.db2.gz YXWDLCUPFNALNT-CQSZACIVSA-N 0 3 367.453 3.554 20 10 FHCDHN CCOc1ccc(O)c(C[N@@H+](CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825643976 608551075 /nfs/dbraw/zinc/55/10/75/608551075.db2.gz YXWDLCUPFNALNT-CQSZACIVSA-N 0 3 367.453 3.554 20 10 FHCDHN CCOc1ccc(O)c(C[N@H+](CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825643976 608551077 /nfs/dbraw/zinc/55/10/77/608551077.db2.gz YXWDLCUPFNALNT-CQSZACIVSA-N 0 3 367.453 3.554 20 10 FHCDHN CCOc1ccc(O)c(C[N@@H+](CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825643976 608551078 /nfs/dbraw/zinc/55/10/78/608551078.db2.gz YXWDLCUPFNALNT-CQSZACIVSA-N 0 3 367.453 3.554 20 10 FHCDHN Cc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)o1 ZINC000160173576 927085349 /nfs/dbraw/zinc/08/53/49/927085349.db2.gz UYIBKYIPSWNPSG-SFHVURJKSA-N 0 3 367.449 3.865 20 10 FHCDHN Cc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)o1 ZINC000160173576 927085361 /nfs/dbraw/zinc/08/53/61/927085361.db2.gz UYIBKYIPSWNPSG-SFHVURJKSA-N 0 3 367.449 3.865 20 10 FHCDHN CCOc1cccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1O ZINC000160183967 927153656 /nfs/dbraw/zinc/15/36/56/927153656.db2.gz ABPYVLQWSFTXEZ-SFHVURJKSA-N 0 3 357.450 3.678 20 10 FHCDHN CCOc1cccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1O ZINC000160183967 927153657 /nfs/dbraw/zinc/15/36/57/927153657.db2.gz ABPYVLQWSFTXEZ-SFHVURJKSA-N 0 3 357.450 3.678 20 10 FHCDHN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001279105569 927233030 /nfs/dbraw/zinc/23/30/30/927233030.db2.gz CPFBDTFWUFEMPV-XHDPSFHLSA-N 0 3 364.358 3.519 20 10 FHCDHN [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001279105569 927233036 /nfs/dbraw/zinc/23/30/36/927233036.db2.gz CPFBDTFWUFEMPV-XHDPSFHLSA-N 0 3 364.358 3.519 20 10 FHCDHN Cc1cc(C(F)F)oc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891245268 930517899 /nfs/dbraw/zinc/51/78/99/930517899.db2.gz BPXOVMZHHBURKO-OAHLLOKOSA-N 0 3 365.424 3.624 20 10 FHCDHN CN(C)c1ccc([C@H](CNC(=O)c2sccc2Cl)N(C)C)cc1 ZINC000891246643 930526546 /nfs/dbraw/zinc/52/65/46/930526546.db2.gz CYLFXDNJFXSZQC-HNNXBMFYSA-N 0 3 351.903 3.500 20 10 FHCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000157066604 931816595 /nfs/dbraw/zinc/81/65/95/931816595.db2.gz LVQIALCJTPNFIV-INIZCTEOSA-N 0 3 356.466 3.948 20 10 FHCDHN CC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccccc1[O-] ZINC000277017198 934454613 /nfs/dbraw/zinc/45/46/13/934454613.db2.gz CTNOJHFXZPFEEV-HNNXBMFYSA-N 0 3 353.871 3.690 20 10 FHCDHN Cc1ccc(O)c([C@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000277106522 934492740 /nfs/dbraw/zinc/49/27/40/934492740.db2.gz MBMRDWAJJSFJFX-LBPRGKRZSA-N 0 3 353.871 3.608 20 10 FHCDHN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)N3CCCCC3)ccc21 ZINC000728517667 936026587 /nfs/dbraw/zinc/02/65/87/936026587.db2.gz UDPYVQWAPPWPKZ-MRXNPFEDSA-N 0 3 371.525 3.509 20 10 FHCDHN CCOc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)cc1F ZINC000278338005 938314670 /nfs/dbraw/zinc/31/46/70/938314670.db2.gz GNNYPYNGFVJGCK-UHFFFAOYSA-N 0 3 372.484 3.723 20 10 FHCDHN COc1cccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1O ZINC000278691461 938656634 /nfs/dbraw/zinc/65/66/34/938656634.db2.gz IZGKACJBIQJHRA-UHFFFAOYSA-N 0 3 356.300 3.618 20 10 FHCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000729475134 945271139 /nfs/dbraw/zinc/27/11/39/945271139.db2.gz QOLYRZUTPLZAJB-QHCPKHFHSA-N 0 3 365.521 3.842 20 10 FHCDHN CCOc1ccc(C[NH2+]CCOc2cccc(Br)c2)c([O-])c1 ZINC000725849642 940604459 /nfs/dbraw/zinc/60/44/59/940604459.db2.gz OUEKZBUUAVXICV-UHFFFAOYSA-N 0 3 366.255 3.722 20 10 FHCDHN CC(C)Cc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000892728571 941485120 /nfs/dbraw/zinc/48/51/20/941485120.db2.gz DUZBNQLMSZMXTD-SFHVURJKSA-N 0 3 353.510 3.968 20 10 FHCDHN COCc1nccc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(C)c3[O-])C2)n1 ZINC000378444093 942771894 /nfs/dbraw/zinc/77/18/94/942771894.db2.gz VPDMLYNFUIEAPT-AWEZNQCLSA-N 0 3 361.873 3.670 20 10 FHCDHN COCc1nccc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3[O-])C2)n1 ZINC000378444093 942771899 /nfs/dbraw/zinc/77/18/99/942771899.db2.gz VPDMLYNFUIEAPT-AWEZNQCLSA-N 0 3 361.873 3.670 20 10 FHCDHN Oc1ccc2c(c1)[C@H](NCc1ccc(N3CCC(O)CC3)c(F)c1)CCC2 ZINC000291148906 944166458 /nfs/dbraw/zinc/16/64/58/944166458.db2.gz IFFJYTBTFYSLKJ-OAQYLSRUSA-N 0 3 370.468 3.660 20 10 FHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@H]3CCCc4c3cnn4C)c2c1 ZINC000162673159 944477446 /nfs/dbraw/zinc/47/74/46/944477446.db2.gz DTZXMMVDDKHWIO-IBGZPJMESA-N 0 3 351.450 3.797 20 10 FHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H]3CCCc4c3cnn4C)c2c1 ZINC000162673159 944477448 /nfs/dbraw/zinc/47/74/48/944477448.db2.gz DTZXMMVDDKHWIO-IBGZPJMESA-N 0 3 351.450 3.797 20 10 FHCDHN CCCC[C@@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1[O-] ZINC001271241564 945557364 /nfs/dbraw/zinc/55/73/64/945557364.db2.gz GBCDMSSHYKBJLX-ZACQAIPSSA-N 0 3 360.498 3.603 20 10 FHCDHN CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1[O-] ZINC001271241564 945557369 /nfs/dbraw/zinc/55/73/69/945557369.db2.gz GBCDMSSHYKBJLX-ZACQAIPSSA-N 0 3 360.498 3.603 20 10 FHCDHN COc1ccc(CN[C@@H](CC(=O)OC(C)C)c2ccccc2)c(O)c1OC ZINC000894489509 945795881 /nfs/dbraw/zinc/79/58/81/945795881.db2.gz BIYVFRSHVPIVKH-KRWDZBQOSA-N 0 3 373.449 3.582 20 10 FHCDHN CN(Cc1c[nH]nc1-c1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000121301191 945831305 /nfs/dbraw/zinc/83/13/05/945831305.db2.gz OLYOOYBBZXDRKF-UHFFFAOYSA-N 0 3 368.506 3.607 20 10 FHCDHN CC(=O)Nc1ccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000279215747 948626831 /nfs/dbraw/zinc/62/68/31/948626831.db2.gz YOMPYOFNXDBHKT-MRXNPFEDSA-N 0 3 352.482 3.881 20 10 FHCDHN COc1cccc(CN(Cc2cc(OC)ccc2O)C[C@H]2CCCO2)c1 ZINC000013993767 211068662 /nfs/dbraw/zinc/06/86/62/211068662.db2.gz FJXBFKKKYPEVCZ-HXUWFJFHSA-N 0 3 357.450 3.591 20 10 FHCDHN COCCOc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000160200821 927224600 /nfs/dbraw/zinc/22/46/00/927224600.db2.gz GRWTUFVDSUWQJC-OAQYLSRUSA-N 0 3 371.477 3.599 20 10 FHCDHN COCCOc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000160200821 927224603 /nfs/dbraw/zinc/22/46/03/927224603.db2.gz GRWTUFVDSUWQJC-OAQYLSRUSA-N 0 3 371.477 3.599 20 10 FHCDHN CC[C@H](N[C@H](CCSC)c1nnc2ccccn21)c1ccccc1O ZINC000154968870 929589820 /nfs/dbraw/zinc/58/98/20/929589820.db2.gz KWKMGZMUNKIPSM-JKSUJKDBSA-N 0 3 356.495 3.970 20 10 FHCDHN CC[C@H](NCc1ccc(OC)c(C)c1)c1ccccc1OCC(=O)N(C)C ZINC000048750757 930491516 /nfs/dbraw/zinc/49/15/16/930491516.db2.gz DOTFRQXEZAECCT-IBGZPJMESA-N 0 3 370.493 3.712 20 10 FHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cscc2C(F)F)N(C)C)cc1 ZINC000891243360 930501284 /nfs/dbraw/zinc/50/12/84/930501284.db2.gz NEJQEBJSBHMNIG-MRXNPFEDSA-N 0 3 367.465 3.784 20 10 FHCDHN COc1ccc2c(c1)[C@H](NCc1ccc(N3CCOCC3)cc1)CCS2 ZINC000276198282 932036077 /nfs/dbraw/zinc/03/60/77/932036077.db2.gz YDLWVKHVQYHDOO-HXUWFJFHSA-N 0 3 370.518 3.859 20 10 FHCDHN CCOc1ccc(O)c(CN[C@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000277389263 935065964 /nfs/dbraw/zinc/06/59/64/935065964.db2.gz DFBWSSWPMLGQPO-GOSISDBHSA-N 0 3 353.422 3.556 20 10 FHCDHN COc1cc(C)cc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)c1O ZINC000894369236 945169311 /nfs/dbraw/zinc/16/93/11/945169311.db2.gz RMSQKCRQHKSBDP-OAHLLOKOSA-N 0 3 355.356 3.551 20 10 FHCDHN COc1ccc(CNCc2cc(Br)ccc2F)c(O)c1OC ZINC000892501063 940111175 /nfs/dbraw/zinc/11/11/75/940111175.db2.gz DPXUUHDYIMJSGH-UHFFFAOYSA-N 0 3 370.218 3.601 20 10 FHCDHN CC(C)Cc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000892728570 941485184 /nfs/dbraw/zinc/48/51/84/941485184.db2.gz DUZBNQLMSZMXTD-GOSISDBHSA-N 0 3 353.510 3.968 20 10 FHCDHN CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C)cc1[O-] ZINC000280062226 942094908 /nfs/dbraw/zinc/09/49/08/942094908.db2.gz KMELCAKNZFOKLM-AZUAARDMSA-N 0 3 352.478 3.790 20 10 FHCDHN C[C@@H](c1ccccc1)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1[O-] ZINC000179645048 942263653 /nfs/dbraw/zinc/26/36/53/942263653.db2.gz YHXCUAAIGFAOFN-INIZCTEOSA-N 0 3 366.421 3.760 20 10 FHCDHN C[C@@H](c1ccccc1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1[O-] ZINC000179645048 942263655 /nfs/dbraw/zinc/26/36/55/942263655.db2.gz YHXCUAAIGFAOFN-INIZCTEOSA-N 0 3 366.421 3.760 20 10 FHCDHN C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862791 942880180 /nfs/dbraw/zinc/88/01/80/942880180.db2.gz ZEYJVWRAUCFFNS-DRZSPHRISA-N 0 3 357.267 3.571 20 10 FHCDHN C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862791 942880182 /nfs/dbraw/zinc/88/01/82/942880182.db2.gz ZEYJVWRAUCFFNS-DRZSPHRISA-N 0 3 357.267 3.571 20 10 FHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)c1[O-] ZINC000367435353 942885527 /nfs/dbraw/zinc/88/55/27/942885527.db2.gz BOQQYGUDLVJBNI-GFCCVEGCSA-N 0 3 364.287 3.847 20 10 FHCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c([O-])c1 ZINC000185118426 943101112 /nfs/dbraw/zinc/10/11/12/943101112.db2.gz VMUFTWFAWMAFDX-HNNXBMFYSA-N 0 3 358.457 3.652 20 10 FHCDHN COCCn1ncc2c1[C@H]([NH2+]Cc1c([O-])ccc3ccccc31)CCC2 ZINC000363967589 943233858 /nfs/dbraw/zinc/23/38/58/943233858.db2.gz GUGWXTZCNQTDRQ-LJQANCHMSA-N 0 3 351.450 3.556 20 10 FHCDHN CCN1CCN(Cc2ccc(N[C@H](C)c3cc(F)ccc3O)cc2)CC1 ZINC000186267626 943294181 /nfs/dbraw/zinc/29/41/81/943294181.db2.gz NVFWUYWQKFANRP-MRXNPFEDSA-N 0 3 357.473 3.842 20 10 FHCDHN COC(=O)c1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1C ZINC001167983896 944687478 /nfs/dbraw/zinc/68/74/78/944687478.db2.gz OHNDQQLENNWWJM-IBGZPJMESA-N 0 3 369.461 3.668 20 10 FHCDHN COC(=O)c1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1C ZINC001167983896 944687487 /nfs/dbraw/zinc/68/74/87/944687487.db2.gz OHNDQQLENNWWJM-IBGZPJMESA-N 0 3 369.461 3.668 20 10 FHCDHN COC[C@H](NCc1ccc(OC)c(OC)c1O)c1cccc(Cl)c1 ZINC000894526923 945911749 /nfs/dbraw/zinc/91/17/49/945911749.db2.gz KCMVJODFUMRJDK-HNNXBMFYSA-N 0 3 351.830 3.540 20 10 FHCDHN CCCN(C(=O)Cc1ccc(N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000236756033 946759637 /nfs/dbraw/zinc/75/96/37/946759637.db2.gz DRHZXNSVGRSZKW-QFIPXVFZSA-N 0 3 365.521 3.715 20 10 FHCDHN CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000279215745 948626709 /nfs/dbraw/zinc/62/67/09/948626709.db2.gz YOMPYOFNXDBHKT-INIZCTEOSA-N 0 3 352.482 3.881 20 10 FHCDHN CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821164300 607012511 /nfs/dbraw/zinc/01/25/11/607012511.db2.gz BBVYUCISODBPQO-CABCVRRESA-N 0 3 350.470 3.735 20 10 FHCDHN CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821164300 607012512 /nfs/dbraw/zinc/01/25/12/607012512.db2.gz BBVYUCISODBPQO-CABCVRRESA-N 0 3 350.470 3.735 20 10 FHCDHN CC[C@@H]([NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(N(C)C)cc1 ZINC000820920012 607014056 /nfs/dbraw/zinc/01/40/56/607014056.db2.gz IXRXVLXKICPZFB-AUUYWEPGSA-N 0 3 350.470 3.735 20 10 FHCDHN CC[C@@H]([NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(N(C)C)cc1 ZINC000820920012 607014058 /nfs/dbraw/zinc/01/40/58/607014058.db2.gz IXRXVLXKICPZFB-AUUYWEPGSA-N 0 3 350.470 3.735 20 10 FHCDHN CC[C@H]([NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc(N(C)C)cc1 ZINC000820920014 607014118 /nfs/dbraw/zinc/01/41/18/607014118.db2.gz IXRXVLXKICPZFB-KUHUBIRLSA-N 0 3 350.470 3.735 20 10 FHCDHN CC[C@H]([NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(N(C)C)cc1 ZINC000820920014 607014121 /nfs/dbraw/zinc/01/41/21/607014121.db2.gz IXRXVLXKICPZFB-KUHUBIRLSA-N 0 3 350.470 3.735 20 10 FHCDHN CC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825429244 608549822 /nfs/dbraw/zinc/54/98/22/608549822.db2.gz ZFQPAROGCAZPOM-HNNXBMFYSA-N 0 3 351.454 3.772 20 10 FHCDHN CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825429244 608549824 /nfs/dbraw/zinc/54/98/24/608549824.db2.gz ZFQPAROGCAZPOM-HNNXBMFYSA-N 0 3 351.454 3.772 20 10 FHCDHN CC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825429244 608549825 /nfs/dbraw/zinc/54/98/25/608549825.db2.gz ZFQPAROGCAZPOM-HNNXBMFYSA-N 0 3 351.454 3.772 20 10 FHCDHN CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825429244 608549827 /nfs/dbraw/zinc/54/98/27/608549827.db2.gz ZFQPAROGCAZPOM-HNNXBMFYSA-N 0 3 351.454 3.772 20 10 FHCDHN CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825415852 609133641 /nfs/dbraw/zinc/13/36/41/609133641.db2.gz DQUTXBIBGBEYNH-AWEZNQCLSA-N 0 3 368.460 3.703 20 10 FHCDHN Cc1cccc(C[NH2+]Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1O ZINC000826298401 609264571 /nfs/dbraw/zinc/26/45/71/609264571.db2.gz RACDJENVLDFJBN-UHFFFAOYSA-N 0 3 371.444 3.838 20 10 FHCDHN CC[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Br)ccc1[O-] ZINC000274915376 929033489 /nfs/dbraw/zinc/03/34/89/929033489.db2.gz OACWHYOJEKLLKL-KGLIPLIRSA-N 0 3 350.260 3.996 20 10 FHCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000471478230 929898935 /nfs/dbraw/zinc/89/89/35/929898935.db2.gz YMHNKEROWGCTFT-NRFANRHFSA-N 0 3 364.493 3.589 20 10 FHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000471552266 930464583 /nfs/dbraw/zinc/46/45/83/930464583.db2.gz RDAQGWNMIIWKFM-LJQANCHMSA-N 0 3 364.493 3.589 20 10 FHCDHN [O-]c1cccc(Br)c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001279220277 930584510 /nfs/dbraw/zinc/58/45/10/930584510.db2.gz UZCAHNKXFQVVQA-IRXDYDNUSA-N 0 3 365.315 3.746 20 10 FHCDHN [O-]c1cccc(Br)c1CN1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001279220277 930584514 /nfs/dbraw/zinc/58/45/14/930584514.db2.gz UZCAHNKXFQVVQA-IRXDYDNUSA-N 0 3 365.315 3.746 20 10 FHCDHN CN1CCN(c2ccc(CNc3nccc4cc(F)ccc43)cc2)CC1 ZINC001167427048 930951028 /nfs/dbraw/zinc/95/10/28/930951028.db2.gz VLZFPCKAAKAPNQ-UHFFFAOYSA-N 0 3 350.441 3.738 20 10 FHCDHN CCOC(CC[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])OCC ZINC000276142883 931858962 /nfs/dbraw/zinc/85/89/62/931858962.db2.gz FDZHCUOPRHXAIS-UHFFFAOYSA-N 0 3 359.466 3.850 20 10 FHCDHN CCOCc1cc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1OC ZINC000051187872 932562697 /nfs/dbraw/zinc/56/26/97/932562697.db2.gz JXEQFAKTSMKHMU-HNNXBMFYSA-N 0 3 368.477 3.967 20 10 FHCDHN COc1ccc(N2CCCN(Cc3c[nH]nc3-c3cccs3)CC2)cc1 ZINC000092380688 934011796 /nfs/dbraw/zinc/01/17/96/934011796.db2.gz SDOZZWZAHPNIBN-UHFFFAOYSA-N 0 3 368.506 3.859 20 10 FHCDHN CN(C)C(=O)c1ccc(C[N@H+](Cc2ccccc2[O-])C2CCCCC2)[nH]1 ZINC000156777361 934944424 /nfs/dbraw/zinc/94/44/24/934944424.db2.gz GYANIYNYVQUKOH-UHFFFAOYSA-N 0 3 355.482 3.757 20 10 FHCDHN CN(C)C(=O)c1ccc(C[N@@H+](Cc2ccccc2[O-])C2CCCCC2)[nH]1 ZINC000156777361 934944427 /nfs/dbraw/zinc/94/44/27/934944427.db2.gz GYANIYNYVQUKOH-UHFFFAOYSA-N 0 3 355.482 3.757 20 10 FHCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(c2ccccc2F)C1=O ZINC001167522171 935115702 /nfs/dbraw/zinc/11/57/02/935115702.db2.gz UHQNMAQQBCOMGQ-IBGZPJMESA-N 0 3 356.441 3.939 20 10 FHCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(c2ccccc2F)C1=O ZINC001167522171 935115708 /nfs/dbraw/zinc/11/57/08/935115708.db2.gz UHQNMAQQBCOMGQ-IBGZPJMESA-N 0 3 356.441 3.939 20 10 FHCDHN c1cc(CNCc2ccc(N3CCCCC3)cc2)cc(N2CCCC2)n1 ZINC000075761145 936019239 /nfs/dbraw/zinc/01/92/39/936019239.db2.gz DMEVUMUPMWIETM-UHFFFAOYSA-N 0 3 350.510 3.962 20 10 FHCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000179760359 939932182 /nfs/dbraw/zinc/93/21/82/939932182.db2.gz NBOXPSAIMPNYPE-UHFFFAOYSA-N 0 3 365.521 3.755 20 10 FHCDHN CC(C)[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])N1CCOCC1 ZINC000725844289 940100470 /nfs/dbraw/zinc/10/04/70/940100470.db2.gz RVFRFGDNUYUNAQ-NRFANRHFSA-N 0 3 354.494 3.506 20 10 FHCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(Cc2nccn2C(C)C)CC1 ZINC000377693520 941907530 /nfs/dbraw/zinc/90/75/30/941907530.db2.gz GULAYPATZWQBNJ-IBGZPJMESA-N 0 3 356.514 3.829 20 10 FHCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(Cc2nccn2C(C)C)CC1 ZINC000377693520 941907535 /nfs/dbraw/zinc/90/75/35/941907535.db2.gz GULAYPATZWQBNJ-IBGZPJMESA-N 0 3 356.514 3.829 20 10 FHCDHN C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180062347 942320351 /nfs/dbraw/zinc/32/03/51/942320351.db2.gz SWQGSDDQRDNYRQ-CYBMUJFWSA-N 0 3 352.450 3.657 20 10 FHCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001167735282 942581280 /nfs/dbraw/zinc/58/12/80/942581280.db2.gz XQRXIXLAQHUUDP-OAHLLOKOSA-N 0 3 356.249 3.571 20 10 FHCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001167735282 942581283 /nfs/dbraw/zinc/58/12/83/942581283.db2.gz XQRXIXLAQHUUDP-OAHLLOKOSA-N 0 3 356.249 3.571 20 10 FHCDHN COc1ccc(O)c([C@@H](C)NCc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000182468747 942744349 /nfs/dbraw/zinc/74/43/49/942744349.db2.gz DCBCPVGUUAKLQF-CQSZACIVSA-N 0 3 353.418 3.975 20 10 FHCDHN O=C(CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000182650873 942770292 /nfs/dbraw/zinc/77/02/92/942770292.db2.gz UZKCZXPBVXWIKW-LJQANCHMSA-N 0 3 357.425 3.785 20 10 FHCDHN O=C(CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000182650873 942770297 /nfs/dbraw/zinc/77/02/97/942770297.db2.gz UZKCZXPBVXWIKW-LJQANCHMSA-N 0 3 357.425 3.785 20 10 FHCDHN COc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1C ZINC000273125460 942896441 /nfs/dbraw/zinc/89/64/41/942896441.db2.gz YUIFLLTYMHBRJE-INIZCTEOSA-N 0 3 372.484 3.955 20 10 FHCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)c([O-])c1 ZINC000184864290 943059816 /nfs/dbraw/zinc/05/98/16/943059816.db2.gz NSCCFTBEICFCBB-UZLBHIALSA-N 0 3 358.457 3.564 20 10 FHCDHN CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000284272742 943524757 /nfs/dbraw/zinc/52/47/57/943524757.db2.gz AFZJKFCYRJFHNL-CYBMUJFWSA-N 0 3 367.898 3.998 20 10 FHCDHN OCC1CCN(c2ccc(CN[C@@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281362938 945614169 /nfs/dbraw/zinc/61/41/69/945614169.db2.gz WEWVHLVRVNQMHX-JOCHJYFZSA-N 0 3 369.484 3.670 20 10 FHCDHN CCOc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)ccc1OC ZINC000121305869 946374988 /nfs/dbraw/zinc/37/49/88/946374988.db2.gz DKINWSCGQFWCJE-UHFFFAOYSA-N 0 3 370.493 3.563 20 10 FHCDHN C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1ccccc1[O-] ZINC000760032534 946945989 /nfs/dbraw/zinc/94/59/89/946945989.db2.gz GSOGUTGRJCLMIJ-KBPBESRZSA-N 0 3 364.283 3.657 20 10 FHCDHN COc1cc(C)cc(CN[C@H](CO)c2ccccc2C(F)(F)F)c1O ZINC000897330379 947229331 /nfs/dbraw/zinc/22/93/31/947229331.db2.gz TXIFYKGPGSQNBV-OAHLLOKOSA-N 0 3 355.356 3.551 20 10 FHCDHN COc1cc(O)c(CN[C@H](C)c2cc(Cl)cc3c2OCC3)cc1OC ZINC000897338650 947752756 /nfs/dbraw/zinc/75/27/56/947752756.db2.gz VDIYWWQERPYRNB-LLVKDONJSA-N 0 3 363.841 3.849 20 10 FHCDHN CC[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cc(Br)ccc1[O-] ZINC000278960862 948340212 /nfs/dbraw/zinc/34/02/12/948340212.db2.gz MIRIKHMVJUEICC-WFASDCNBSA-N 0 3 364.287 3.655 20 10 FHCDHN CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435299 608550904 /nfs/dbraw/zinc/55/09/04/608550904.db2.gz SRMBTDLOTUYBLL-AWEZNQCLSA-N 0 3 368.460 3.655 20 10 FHCDHN CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435299 608550905 /nfs/dbraw/zinc/55/09/05/608550905.db2.gz SRMBTDLOTUYBLL-AWEZNQCLSA-N 0 3 368.460 3.655 20 10 FHCDHN CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435299 608550906 /nfs/dbraw/zinc/55/09/06/608550906.db2.gz SRMBTDLOTUYBLL-AWEZNQCLSA-N 0 3 368.460 3.655 20 10 FHCDHN CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435299 608550907 /nfs/dbraw/zinc/55/09/07/608550907.db2.gz SRMBTDLOTUYBLL-AWEZNQCLSA-N 0 3 368.460 3.655 20 10 FHCDHN COc1ccc([C@H](C)NCc2ccc3c(c2)CCCN3C)cc1NC(C)=O ZINC000122946366 937106477 /nfs/dbraw/zinc/10/64/77/937106477.db2.gz JACNVTCGFHOBKG-HNNXBMFYSA-N 0 3 367.493 3.887 20 10 FHCDHN Cc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)o1 ZINC000160173700 927086252 /nfs/dbraw/zinc/08/62/52/927086252.db2.gz UYIBKYIPSWNPSG-GOSISDBHSA-N 0 3 367.449 3.865 20 10 FHCDHN Cc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)o1 ZINC000160173700 927086267 /nfs/dbraw/zinc/08/62/67/927086267.db2.gz UYIBKYIPSWNPSG-GOSISDBHSA-N 0 3 367.449 3.865 20 10 FHCDHN Cc1cc(C(F)(F)F)cc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001167422762 930917683 /nfs/dbraw/zinc/91/76/83/930917683.db2.gz APTJRRXMZWYJCZ-UHFFFAOYSA-N 0 3 364.415 3.773 20 10 FHCDHN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000050901714 931809380 /nfs/dbraw/zinc/80/93/80/931809380.db2.gz LDNDJCKQNGVNOL-QGZVFWFLSA-N 0 3 370.493 3.682 20 10 FHCDHN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000050901714 931809386 /nfs/dbraw/zinc/80/93/86/931809386.db2.gz LDNDJCKQNGVNOL-QGZVFWFLSA-N 0 3 370.493 3.682 20 10 FHCDHN Fc1cc(CNCc2cccc3cccnc32)ccc1N1CCOCC1 ZINC000069751528 931962037 /nfs/dbraw/zinc/96/20/37/931962037.db2.gz ZCAFWVFCUGBMMZ-UHFFFAOYSA-N 0 3 351.425 3.500 20 10 FHCDHN CC[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1ccccc1[O-] ZINC000156755168 934938648 /nfs/dbraw/zinc/93/86/48/934938648.db2.gz UDQZVYPUHWAMGZ-JKSUJKDBSA-N 0 3 350.256 3.929 20 10 FHCDHN C[C@H](NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1cnccn1 ZINC000152952947 935917286 /nfs/dbraw/zinc/91/72/86/935917286.db2.gz AOTNAJQTPCXJFJ-ZDUSSCGKSA-N 0 3 366.387 3.695 20 10 FHCDHN CN(C)c1ccc(CNC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000729475127 945270153 /nfs/dbraw/zinc/27/01/53/945270153.db2.gz QLCMRROLILBHFI-JOCHJYFZSA-N 0 3 369.484 3.639 20 10 FHCDHN CCN1CCN(c2ccc(CN[C@H](C)c3cccc(OC)c3)cc2F)CC1 ZINC000177316301 940108490 /nfs/dbraw/zinc/10/84/90/940108490.db2.gz PXYDMOGWTQCOKV-QGZVFWFLSA-N 0 3 371.500 3.827 20 10 FHCDHN C[C@H](N[C@H](CO)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000181395802 941152348 /nfs/dbraw/zinc/15/23/48/941152348.db2.gz GMRAFMHJNWUSLR-SCLBCKFNSA-N 0 3 363.299 3.899 20 10 FHCDHN Cc1nn(-c2ccccn2)c(C)c1CNCc1c(C)c2ccccc2n1C ZINC000549242713 941720593 /nfs/dbraw/zinc/72/05/93/941720593.db2.gz FSJFSJPIYKMVEK-UHFFFAOYSA-N 0 3 359.477 3.974 20 10 FHCDHN COc1ccccc1-n1nccc1CNCc1c(C)c2ccccc2n1C ZINC000430021902 941989353 /nfs/dbraw/zinc/98/93/53/941989353.db2.gz KQJLRUKRMIIQAJ-UHFFFAOYSA-N 0 3 360.461 3.971 20 10 FHCDHN Cc1nc(CN2CCC(C[NH2+][C@H](C)c3cc(F)ccc3[O-])CC2)cs1 ZINC000363868875 942900931 /nfs/dbraw/zinc/90/09/31/942900931.db2.gz SKUPWKFVHJWWIJ-CYBMUJFWSA-N 0 3 363.502 3.859 20 10 FHCDHN COc1cc(N2CCN([C@@H](C)c3ccccc3C)CC2)cc(OC)c1OC ZINC000183702985 942905579 /nfs/dbraw/zinc/90/55/79/942905579.db2.gz PJRMOLXGLDNQJS-KRWDZBQOSA-N 0 3 370.493 3.904 20 10 FHCDHN COc1ccc(O)c([C@@H](C)N[C@H](CO)c2ccc(Br)cc2)c1 ZINC000273497319 942971652 /nfs/dbraw/zinc/97/16/52/942971652.db2.gz PLGURRBSOVXBHP-BDJLRTHQSA-N 0 3 366.255 3.548 20 10 FHCDHN CCCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1O ZINC000282550880 943131741 /nfs/dbraw/zinc/13/17/41/943131741.db2.gz XFIHSYGDIFJWTP-UHFFFAOYSA-N 0 3 369.465 3.591 20 10 FHCDHN Fc1cccc(F)c1[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000187595391 943369192 /nfs/dbraw/zinc/36/91/92/943369192.db2.gz ISXMUGVWHMQRFG-KRWDZBQOSA-N 0 3 358.432 3.791 20 10 FHCDHN COc1cc(Br)cc(C[NH2+][C@H](C)COc2ccccc2)c1[O-] ZINC000728781906 944055897 /nfs/dbraw/zinc/05/58/97/944055897.db2.gz IIJLGTVJXOSZIN-GFCCVEGCSA-N 0 3 366.255 3.720 20 10 FHCDHN COc1ccc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)c(O)c1OC ZINC000894912958 946589674 /nfs/dbraw/zinc/58/96/74/946589674.db2.gz LSKCVABEUGDVQT-OAQYLSRUSA-N 0 3 369.461 3.763 20 10 FHCDHN CCS(=O)(=O)c1cc(Cl)cc(CN[C@H](C)c2cc(C)ccc2O)c1 ZINC000840842719 946932662 /nfs/dbraw/zinc/93/26/62/946932662.db2.gz YKLHPBNFNSZJNO-CYBMUJFWSA-N 0 3 367.898 3.998 20 10 FHCDHN COc1cc(Br)cc(C[N@H+](C)CCc2cccs2)c1[O-] ZINC000093685357 946954075 /nfs/dbraw/zinc/95/40/75/946954075.db2.gz CHNJJZDPJNVQHI-UHFFFAOYSA-N 0 3 356.285 3.899 20 10 FHCDHN COc1cc(Br)cc(C[N@@H+](C)CCc2cccs2)c1[O-] ZINC000093685357 946954094 /nfs/dbraw/zinc/95/40/94/946954094.db2.gz CHNJJZDPJNVQHI-UHFFFAOYSA-N 0 3 356.285 3.899 20 10 FHCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c([O-])c1C ZINC000359972123 223140921 /nfs/dbraw/zinc/14/09/21/223140921.db2.gz DUTCMOMXYIMFOD-QGZVFWFLSA-N 0 3 352.478 3.964 20 10 FHCDHN CCOc1ccc(O)c(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000160199534 927229761 /nfs/dbraw/zinc/22/97/61/927229761.db2.gz LIKVQEOZRBPCKR-IBGZPJMESA-N 0 3 357.450 3.678 20 10 FHCDHN CCOc1ccc(O)c(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000160199534 927229772 /nfs/dbraw/zinc/22/97/72/927229772.db2.gz LIKVQEOZRBPCKR-IBGZPJMESA-N 0 3 357.450 3.678 20 10 FHCDHN Cc1cc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC001167330254 929926792 /nfs/dbraw/zinc/92/67/92/929926792.db2.gz ZJMKRRUJVNOARO-QZTJIDSGSA-N 0 3 356.432 3.873 20 10 FHCDHN CN(C)c1ccc([C@H](CNC(=O)c2ccsc2Cl)N(C)C)cc1 ZINC000891246409 930523117 /nfs/dbraw/zinc/52/31/17/930523117.db2.gz NKXCLYLSMWAODW-HNNXBMFYSA-N 0 3 351.903 3.500 20 10 FHCDHN CC(C)CCn1cccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000161704487 937435804 /nfs/dbraw/zinc/43/58/04/937435804.db2.gz JBRJMXWGKBWXTJ-UHFFFAOYSA-N 0 3 359.489 3.800 20 10 FHCDHN Oc1cccc2c1CCC[C@@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000276649386 932818323 /nfs/dbraw/zinc/81/83/23/932818323.db2.gz SQDNWVNSAPXKAV-IBGZPJMESA-N 0 3 356.441 3.535 20 10 FHCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccncc1 ZINC000156469924 933009115 /nfs/dbraw/zinc/00/91/15/933009115.db2.gz KUQRRIUASZNYJT-AWEZNQCLSA-N 0 3 365.399 3.788 20 10 FHCDHN COCc1cccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000158523980 935616316 /nfs/dbraw/zinc/61/63/16/935616316.db2.gz XYZVVAXAMWSVRP-MRXNPFEDSA-N 0 3 358.457 3.660 20 10 FHCDHN C[C@@H](NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1cnccn1 ZINC000152953054 935917385 /nfs/dbraw/zinc/91/73/85/935917385.db2.gz AOTNAJQTPCXJFJ-CYBMUJFWSA-N 0 3 366.387 3.695 20 10 FHCDHN COc1ccc(CN[C@@H](c2nc3ccccc3[nH]2)C(C)C)c(O)c1OC ZINC000892720541 941449061 /nfs/dbraw/zinc/44/90/61/941449061.db2.gz MEQQKIWHJJWCNF-QGZVFWFLSA-N 0 3 355.438 3.773 20 10 FHCDHN CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1Cc1nc(C)c(C)o1)c1ccccc1[O-] ZINC000377690103 941903943 /nfs/dbraw/zinc/90/39/43/941903943.db2.gz DAEGDPXCYCQDJV-XYJFISCASA-N 0 3 361.461 3.650 20 10 FHCDHN CC[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C)cc1[O-] ZINC000280062228 942095104 /nfs/dbraw/zinc/09/51/04/942095104.db2.gz KMELCAKNZFOKLM-ICSRJNTNSA-N 0 3 352.478 3.790 20 10 FHCDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1 ZINC000182445762 942740023 /nfs/dbraw/zinc/74/00/23/942740023.db2.gz NJEDWKOBBSMLAA-QKKBWIMNSA-N 0 3 374.456 3.704 20 10 FHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000182985260 942812636 /nfs/dbraw/zinc/81/26/36/942812636.db2.gz TZGNRDOUYZREQU-GOSISDBHSA-N 0 3 353.462 3.972 20 10 FHCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000182985260 942812644 /nfs/dbraw/zinc/81/26/44/942812644.db2.gz TZGNRDOUYZREQU-GOSISDBHSA-N 0 3 353.462 3.972 20 10 FHCDHN C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862790 942880073 /nfs/dbraw/zinc/88/00/73/942880073.db2.gz ZEYJVWRAUCFFNS-CYZMBNFOSA-N 0 3 357.267 3.571 20 10 FHCDHN C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862790 942880078 /nfs/dbraw/zinc/88/00/78/942880078.db2.gz ZEYJVWRAUCFFNS-CYZMBNFOSA-N 0 3 357.267 3.571 20 10 FHCDHN C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(Br)ccc1[O-] ZINC000273460883 942962283 /nfs/dbraw/zinc/96/22/83/942962283.db2.gz CPDVEFCNZUNSIF-LBPRGKRZSA-N 0 3 353.304 3.822 20 10 FHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)c([O-])c1 ZINC000184864308 943059551 /nfs/dbraw/zinc/05/95/51/943059551.db2.gz NSCCFTBEICFCBB-JXFKEZNVSA-N 0 3 358.457 3.564 20 10 FHCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000272879935 943237575 /nfs/dbraw/zinc/23/75/75/943237575.db2.gz XMXMMICJFPUBQK-UHFFFAOYSA-N 0 3 351.368 3.948 20 10 FHCDHN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000820425661 945447195 /nfs/dbraw/zinc/44/71/95/945447195.db2.gz ACRQHOODILKJTM-INIZCTEOSA-N 0 3 362.481 3.708 20 10 FHCDHN Cc1cc([O-])c(C[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)c(Cl)c1 ZINC000840882901 946433974 /nfs/dbraw/zinc/43/39/74/946433974.db2.gz BWEPPOGSTUFZIA-INIZCTEOSA-N 0 3 374.912 3.865 20 10 FHCDHN CN(C(=O)c1cccc2c1CCNC2)c1cccc(OC(F)(F)F)c1 ZINC000662577646 947911661 /nfs/dbraw/zinc/91/16/61/947911661.db2.gz BPUOCZXTXQADCR-UHFFFAOYSA-N 0 3 350.340 3.508 20 10 FHCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821220478 607355812 /nfs/dbraw/zinc/35/58/12/607355812.db2.gz ASPZDUAHIJYHCC-OAHLLOKOSA-N 0 3 350.470 3.516 20 10 FHCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821220478 607355814 /nfs/dbraw/zinc/35/58/14/607355814.db2.gz ASPZDUAHIJYHCC-OAHLLOKOSA-N 0 3 350.470 3.516 20 10 FHCDHN CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821220478 607355815 /nfs/dbraw/zinc/35/58/15/607355815.db2.gz ASPZDUAHIJYHCC-OAHLLOKOSA-N 0 3 350.470 3.516 20 10 FHCDHN CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821220478 607355817 /nfs/dbraw/zinc/35/58/17/607355817.db2.gz ASPZDUAHIJYHCC-OAHLLOKOSA-N 0 3 350.470 3.516 20 10 FHCDHN Oc1ccccc1C[N@H+](Cc1ccc(F)cc1-c1nnn[n-]1)C1CCCC1 ZINC000738401088 598620842 /nfs/dbraw/zinc/62/08/42/598620842.db2.gz OQFFRGKIEGVKSF-UHFFFAOYSA-N 0 3 367.428 3.656 20 10 FHCDHN Oc1ccccc1C[N@@H+](Cc1ccc(F)cc1-c1nnn[n-]1)C1CCCC1 ZINC000738401088 598620843 /nfs/dbraw/zinc/62/08/43/598620843.db2.gz OQFFRGKIEGVKSF-UHFFFAOYSA-N 0 3 367.428 3.656 20 10 FHCDHN C[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCCCC2)cc1 ZINC000820432966 606996536 /nfs/dbraw/zinc/99/65/36/606996536.db2.gz UNDHKZLFLSYRRL-MRXNPFEDSA-N 0 3 362.481 3.708 20 10 FHCDHN C[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCCCC2)cc1 ZINC000820432966 606996537 /nfs/dbraw/zinc/99/65/37/606996537.db2.gz UNDHKZLFLSYRRL-MRXNPFEDSA-N 0 3 362.481 3.708 20 10 FHCDHN c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517352 608500861 /nfs/dbraw/zinc/50/08/61/608500861.db2.gz ZLHNKBUEJBYEAN-OAQYLSRUSA-N 0 3 374.492 3.634 20 10 FHCDHN c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517352 608500862 /nfs/dbraw/zinc/50/08/62/608500862.db2.gz ZLHNKBUEJBYEAN-OAQYLSRUSA-N 0 3 374.492 3.634 20 10 FHCDHN COc1cc(O)c(CN2CC[C@H](Oc3ccccc3Cl)C2)cc1OC ZINC000160476429 930581511 /nfs/dbraw/zinc/58/15/11/930581511.db2.gz KMJGTTQFUWAGGF-AWEZNQCLSA-N 0 3 363.841 3.716 20 10 FHCDHN CCN(Cc1ccc(N(C)C)cc1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000156846191 931618508 /nfs/dbraw/zinc/61/85/08/931618508.db2.gz NDAKCRSKNINUOK-UHFFFAOYSA-N 0 3 358.482 3.801 20 10 FHCDHN Cc1c([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cnn1C(C)(C)C ZINC000276295282 932147462 /nfs/dbraw/zinc/14/74/62/932147462.db2.gz BUUPEFOZZFIGEH-MRXNPFEDSA-N 0 3 356.514 3.634 20 10 FHCDHN COc1ccc(CN(C)Cc2ccc(OC(F)F)cc2)c(O)c1OC ZINC000891473866 932623660 /nfs/dbraw/zinc/62/36/60/932623660.db2.gz IFLVSIJBTJSYII-UHFFFAOYSA-N 0 3 353.365 3.643 20 10 FHCDHN CN(C)CCN(C)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255413577 934129066 /nfs/dbraw/zinc/12/90/66/934129066.db2.gz VZHKAJXYSSFEEE-UHFFFAOYSA-N 0 3 353.470 3.802 20 10 FHCDHN CC[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1ccccc1[O-] ZINC000156754869 934938572 /nfs/dbraw/zinc/93/85/72/934938572.db2.gz UDQZVYPUHWAMGZ-HOTGVXAUSA-N 0 3 350.256 3.929 20 10 FHCDHN Cc1c2ccccc2n(C)c1CNC(=O)N(CCN(C)C)C1CCCC1 ZINC000472227285 935760497 /nfs/dbraw/zinc/76/04/97/935760497.db2.gz VUHWXKZOTHMDMP-UHFFFAOYSA-N 0 3 356.514 3.503 20 10 FHCDHN C[C@@H](N[C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000164237281 941113535 /nfs/dbraw/zinc/11/35/35/941113535.db2.gz WYYVBZDBSBTPNE-CABCVRRESA-N 0 3 361.511 3.536 20 10 FHCDHN Fc1cc(CNCc2ccc(N3CCOCC3)cc2)ccc1OC(F)F ZINC000168149110 941327375 /nfs/dbraw/zinc/32/73/75/941327375.db2.gz BVJKBKNZIZRTOU-UHFFFAOYSA-N 0 3 366.383 3.554 20 10 FHCDHN COc1ccc(-c2ccncc2)cc1CNCc1cccc(OC)c1O ZINC000377623921 941853569 /nfs/dbraw/zinc/85/35/69/941853569.db2.gz IXWHSOORMAAXIM-UHFFFAOYSA-N 0 3 350.418 3.761 20 10 FHCDHN CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1Cc1c(C)noc1C)c1ccccc1[O-] ZINC000377714127 941926439 /nfs/dbraw/zinc/92/64/39/941926439.db2.gz FEXRFPVIMLOBAK-TXPKVOOTSA-N 0 3 361.461 3.650 20 10 FHCDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2cccc3ccccc32)c1 ZINC000182372763 942726774 /nfs/dbraw/zinc/72/67/74/942726774.db2.gz CWSUAAMURRCXGV-AWEZNQCLSA-N 0 3 350.418 3.843 20 10 FHCDHN C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)c1ccc(F)cc1[O-] ZINC000273449280 942959348 /nfs/dbraw/zinc/95/93/48/942959348.db2.gz FRXRFBYWCNLISE-AWEZNQCLSA-N 0 3 358.461 3.630 20 10 FHCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc2ccccc2c1[O-] ZINC000273473557 942966040 /nfs/dbraw/zinc/96/60/40/942966040.db2.gz KFWUFFPSGKHQOD-JHVJFLLYSA-N 0 3 354.494 3.574 20 10 FHCDHN CC(=O)N1CC[C@@H](NCc2ccc(N(C)C)c(F)c2)c2ccc(F)cc2C1 ZINC000364066294 943481231 /nfs/dbraw/zinc/48/12/31/943481231.db2.gz YHYZIBFVGQQHEE-HXUWFJFHSA-N 0 3 373.447 3.614 20 10 FHCDHN CN(C)c1ccc(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001167745795 943979948 /nfs/dbraw/zinc/97/99/48/943979948.db2.gz IMWNPXNZIJWHSU-OAQYLSRUSA-N 0 3 366.509 3.929 20 10 FHCDHN COc1ccc(N2CCC(NCc3nccn3-c3ccccc3)CC2)cc1 ZINC000190928475 944098651 /nfs/dbraw/zinc/09/86/51/944098651.db2.gz NEBTXZPKOJETAR-UHFFFAOYSA-N 0 3 362.477 3.640 20 10 FHCDHN COc1ccnc(N2CCN(Cc3cc(C)cc(C(C)(C)C)c3O)CC2)c1 ZINC000729467599 944511681 /nfs/dbraw/zinc/51/16/81/944511681.db2.gz HDALDQFERNKTOM-UHFFFAOYSA-N 0 3 369.509 3.724 20 10 FHCDHN COc1cc(N2CCN(Cc3c(C)cccc3C)CC2)cc(OC)c1OC ZINC000759873200 944659440 /nfs/dbraw/zinc/65/94/40/944659440.db2.gz SBPUJZVBEPHLIZ-UHFFFAOYSA-N 0 3 370.493 3.651 20 10 FHCDHN COc1cccc2c1CCC[C@@H]2NCc1ccc(N2CCOCC2)c(F)c1 ZINC000194857573 944753674 /nfs/dbraw/zinc/75/36/74/944753674.db2.gz PUYVBVWIJOGQGC-FQEVSTJZSA-N 0 3 370.468 3.838 20 10 FHCDHN CCOc1ccc(O)c(CN2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000194946398 944770822 /nfs/dbraw/zinc/77/08/22/944770822.db2.gz DAMZFVQUMMTHRG-UHFFFAOYSA-N 0 3 361.869 3.928 20 10 FHCDHN OC1CCN(c2ccc(CN[C@@H](c3cncc(F)c3)C3CC3)cc2F)CC1 ZINC000281351013 945600283 /nfs/dbraw/zinc/60/02/83/945600283.db2.gz VKADQWUMDFQILS-OAQYLSRUSA-N 0 3 373.447 3.562 20 10 FHCDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)c1ccccc1[O-] ZINC000760032538 946946293 /nfs/dbraw/zinc/94/62/93/946946293.db2.gz GSOGUTGRJCLMIJ-KGLIPLIRSA-N 0 3 364.283 3.657 20 10 FHCDHN COc1ccc(CN[C@H](C)c2cc(Cl)cc3c2OCC3)c(O)c1OC ZINC000897339744 948789503 /nfs/dbraw/zinc/78/95/03/948789503.db2.gz MIMGSUGDZKXXEW-LLVKDONJSA-N 0 3 363.841 3.849 20 10 FHCDHN CCN(CC)c1ccc(C[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821197967 599395294 /nfs/dbraw/zinc/39/52/94/599395294.db2.gz PRWGUJLCLWALLL-OAHLLOKOSA-N 0 3 350.470 3.564 20 10 FHCDHN CCN(CC)c1ccc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821197967 599395297 /nfs/dbraw/zinc/39/52/97/599395297.db2.gz PRWGUJLCLWALLL-OAHLLOKOSA-N 0 3 350.470 3.564 20 10 FHCDHN CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821164301 607012443 /nfs/dbraw/zinc/01/24/43/607012443.db2.gz BBVYUCISODBPQO-GJZGRUSLSA-N 0 3 350.470 3.735 20 10 FHCDHN CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821164301 607012445 /nfs/dbraw/zinc/01/24/45/607012445.db2.gz BBVYUCISODBPQO-GJZGRUSLSA-N 0 3 350.470 3.735 20 10 FHCDHN CC[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cc(Br)ccc1[O-] ZINC000274914557 929029995 /nfs/dbraw/zinc/02/99/95/929029995.db2.gz OACWHYOJEKLLKL-KBPBESRZSA-N 0 3 350.260 3.996 20 10 FHCDHN [O-]c1cccc(Br)c1CN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001279219513 930333984 /nfs/dbraw/zinc/33/39/84/930333984.db2.gz FDPABHAABYNLEF-UHFFFAOYSA-N 0 3 365.315 3.605 20 10 FHCDHN [O-]c1cccc(Br)c1CN1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001279219513 930333991 /nfs/dbraw/zinc/33/39/91/930333991.db2.gz FDPABHAABYNLEF-UHFFFAOYSA-N 0 3 365.315 3.605 20 10 FHCDHN CCc1nc2c(s1)[C@H](N(C)Cc1cc(OC)c(OC)cc1O)CCC2 ZINC000160425191 930364594 /nfs/dbraw/zinc/36/45/94/930364594.db2.gz JHPQKCIAAIYIOE-CQSZACIVSA-N 0 3 362.495 3.938 20 10 FHCDHN Cc1ccc([C@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)c(O)c1C ZINC000277172287 934733209 /nfs/dbraw/zinc/73/32/09/934733209.db2.gz SCAWEGPUXAFBDB-ZDUSSCGKSA-N 0 3 367.898 3.917 20 10 FHCDHN CCOc1ccc(O)c(CN[C@@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000277389266 935065798 /nfs/dbraw/zinc/06/57/98/935065798.db2.gz DFBWSSWPMLGQPO-SFHVURJKSA-N 0 3 353.422 3.556 20 10 FHCDHN COc1cc(O)c(CN(C)Cc2ccc(Br)cc2)cc1OC ZINC000158833706 938874536 /nfs/dbraw/zinc/87/45/36/938874536.db2.gz AHJIDMMJSCULCO-UHFFFAOYSA-N 0 3 366.255 3.804 20 10 FHCDHN CC1(O)CC[NH+](Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000177187943 940004492 /nfs/dbraw/zinc/00/44/92/940004492.db2.gz KJOHHHNAZINPOI-UHFFFAOYSA-N 0 3 350.256 3.655 20 10 FHCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000310647608 940284035 /nfs/dbraw/zinc/28/40/35/940284035.db2.gz DUAPZPROXYECBF-IPYPFGDCSA-N 0 3 352.450 3.970 20 10 FHCDHN COc1ccc(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(O)c1OC ZINC000892693101 941313650 /nfs/dbraw/zinc/31/36/50/941313650.db2.gz BSMOMVQZOVZPNH-WMZOPIPTSA-N 0 3 361.413 3.558 20 10 FHCDHN [O-]c1ccccc1C[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000377756422 941968989 /nfs/dbraw/zinc/96/89/89/941968989.db2.gz AGRXKJMLYTUGSG-UHFFFAOYSA-N 0 3 363.339 3.837 20 10 FHCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H](C)O1 ZINC000016075220 942091966 /nfs/dbraw/zinc/09/19/66/942091966.db2.gz RHQHCUVDDHELCA-TXEJJXNPSA-N 0 3 350.256 3.917 20 10 FHCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)C[C@H](C)O1 ZINC000016075220 942091969 /nfs/dbraw/zinc/09/19/69/942091969.db2.gz RHQHCUVDDHELCA-TXEJJXNPSA-N 0 3 350.256 3.917 20 10 FHCDHN CC[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C)cc1[O-] ZINC000280062234 942094736 /nfs/dbraw/zinc/09/47/36/942094736.db2.gz KMELCAKNZFOKLM-UYAOXDASSA-N 0 3 352.478 3.790 20 10 FHCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(C)cc1[O-] ZINC000280277988 942156087 /nfs/dbraw/zinc/15/60/87/942156087.db2.gz YGXJNQQAYRXNDW-QFBILLFUSA-N 0 3 355.482 3.562 20 10 FHCDHN COc1ccc(O)c([C@@H](C)N[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000273497323 942971471 /nfs/dbraw/zinc/97/14/71/942971471.db2.gz PLGURRBSOVXBHP-BZNIZROVSA-N 0 3 366.255 3.548 20 10 FHCDHN Cc1cc(Cl)cc(C[NH2+]Cc2ccnc(OC3CCOCC3)c2)c1[O-] ZINC000271858548 943061867 /nfs/dbraw/zinc/06/18/67/943061867.db2.gz JUJHDGLKFYBJPO-UHFFFAOYSA-N 0 3 362.857 3.597 20 10 FHCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)c([O-])c1 ZINC000185166487 943115739 /nfs/dbraw/zinc/11/57/39/943115739.db2.gz WUIOWPHWFSZMBR-JXFKEZNVSA-N 0 3 358.457 3.564 20 10 FHCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000364420835 944660762 /nfs/dbraw/zinc/66/07/62/944660762.db2.gz WUECVTUMHNHGTN-SFHVURJKSA-N 0 3 353.466 3.897 20 10 FHCDHN Cc1nn(-c2cccc(F)c2)cc1CNCc1ccc2c(c1)CCCN2C ZINC000840886952 946555395 /nfs/dbraw/zinc/55/53/95/946555395.db2.gz OXORNSIKRMUQMI-UHFFFAOYSA-N 0 3 364.468 3.992 20 10 FHCDHN OCC1([C@@H](NCc2ccc3c(c2)CCCO3)c2ccccc2)CCOCC1 ZINC000894919692 946605131 /nfs/dbraw/zinc/60/51/31/946605131.db2.gz KLRLBYMYEWPUDL-QFIPXVFZSA-N 0 3 367.489 3.632 20 10 FHCDHN COc1cc(C)cc(CN[C@@H](CO)c2ccccc2C(F)(F)F)c1O ZINC000897330378 947228805 /nfs/dbraw/zinc/22/88/05/947228805.db2.gz TXIFYKGPGSQNBV-HNNXBMFYSA-N 0 3 355.356 3.551 20 10 FHCDHN [O-]c1ccccc1C[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCCO1 ZINC000160170205 927072730 /nfs/dbraw/zinc/07/27/30/927072730.db2.gz DJXQICPGYVKWCV-OAQYLSRUSA-N 0 3 363.461 3.759 20 10 FHCDHN [O-]c1ccccc1C[N@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCCO1 ZINC000160170205 927072747 /nfs/dbraw/zinc/07/27/47/927072747.db2.gz DJXQICPGYVKWCV-OAQYLSRUSA-N 0 3 363.461 3.759 20 10 FHCDHN Cc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000160178635 927105495 /nfs/dbraw/zinc/10/54/95/927105495.db2.gz DZSMDJOGUFOXMS-GOSISDBHSA-N 0 3 356.422 3.790 20 10 FHCDHN CN(C)c1ccc([C@H](CNC(=O)c2cscc2C(F)F)N(C)C)cc1 ZINC000891243359 930500816 /nfs/dbraw/zinc/50/08/16/930500816.db2.gz NEJQEBJSBHMNIG-INIZCTEOSA-N 0 3 367.465 3.784 20 10 FHCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccncc1 ZINC000156470053 933009220 /nfs/dbraw/zinc/00/92/20/933009220.db2.gz KUQRRIUASZNYJT-CQSZACIVSA-N 0 3 365.399 3.788 20 10 FHCDHN CCN(C)c1ccc([C@@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)cc1 ZINC000157703381 935156194 /nfs/dbraw/zinc/15/61/94/935156194.db2.gz FMCLSUAYKWKAGJ-QZTJIDSGSA-N 0 3 368.525 3.614 20 10 FHCDHN COc1ccc(N2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000053774027 945085382 /nfs/dbraw/zinc/08/53/82/945085382.db2.gz MVZKJXQQTRONLQ-MRXNPFEDSA-N 0 3 355.438 3.877 20 10 FHCDHN CCC[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccn1 ZINC000158774452 938261629 /nfs/dbraw/zinc/26/16/29/938261629.db2.gz TXUZSZADVSOQSB-NRFANRHFSA-N 0 3 353.510 3.921 20 10 FHCDHN CC1(C)Cc2cccc(CNCc3ccc(N4CCOCC4)cc3)c2O1 ZINC000161763331 938301963 /nfs/dbraw/zinc/30/19/63/938301963.db2.gz ZRLNQRQRYCAMMU-UHFFFAOYSA-N 0 3 352.478 3.527 20 10 FHCDHN COc1ccc(CN[C@H](C)c2ccccc2OC(F)F)c(O)c1OC ZINC000892500402 940098306 /nfs/dbraw/zinc/09/83/06/940098306.db2.gz SWGDRSPFLCKNMC-LLVKDONJSA-N 0 3 353.365 3.862 20 10 FHCDHN CCN1CCN(c2ccc(CN[C@@H](C)c3cccc(OC)c3)cc2F)CC1 ZINC000177316281 940108420 /nfs/dbraw/zinc/10/84/20/940108420.db2.gz PXYDMOGWTQCOKV-KRWDZBQOSA-N 0 3 371.500 3.827 20 10 FHCDHN COc1cc(CN2CCC(c3nc(C)no3)CC2)c(O)c(C(C)(C)C)c1 ZINC000178870113 941733415 /nfs/dbraw/zinc/73/34/15/941733415.db2.gz ABJPQWBTLHBUSM-UHFFFAOYSA-N 0 3 359.470 3.769 20 10 FHCDHN CCN1CCN(c2cccc(NC(=O)c3ccc4scnc4c3)c2)CC1 ZINC001269788148 942688197 /nfs/dbraw/zinc/68/81/97/942688197.db2.gz XZVMKUOQHPLOGM-UHFFFAOYSA-N 0 3 366.490 3.691 20 10 FHCDHN Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2)cs1 ZINC000363868876 942901116 /nfs/dbraw/zinc/90/11/16/942901116.db2.gz SKUPWKFVHJWWIJ-ZDUSSCGKSA-N 0 3 363.502 3.859 20 10 FHCDHN CN(C)c1ccc(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001167745794 943980231 /nfs/dbraw/zinc/98/02/31/943980231.db2.gz IMWNPXNZIJWHSU-NRFANRHFSA-N 0 3 366.509 3.929 20 10 FHCDHN COc1ccc2ccc([O-])c(C[N@H+](C)[C@@H]3CCCc4c3cnn4C)c2c1 ZINC000162673014 944477144 /nfs/dbraw/zinc/47/71/44/944477144.db2.gz DTZXMMVDDKHWIO-LJQANCHMSA-N 0 3 351.450 3.797 20 10 FHCDHN COc1ccc2ccc([O-])c(C[N@@H+](C)[C@@H]3CCCc4c3cnn4C)c2c1 ZINC000162673014 944477147 /nfs/dbraw/zinc/47/71/47/944477147.db2.gz DTZXMMVDDKHWIO-LJQANCHMSA-N 0 3 351.450 3.797 20 10 FHCDHN CCOc1cccc(CN2CCC(O)(c3ccccc3Cl)CC2)c1O ZINC000194951523 944771865 /nfs/dbraw/zinc/77/18/65/944771865.db2.gz MVBMAPOZLBZCCY-UHFFFAOYSA-N 0 3 361.869 3.928 20 10 FHCDHN CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC001271242043 945573361 /nfs/dbraw/zinc/57/33/61/945573361.db2.gz OBFPLKVAFHENQT-NJAFHUGGSA-N 0 3 360.498 3.603 20 10 FHCDHN CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC001271242043 945573366 /nfs/dbraw/zinc/57/33/66/945573366.db2.gz OBFPLKVAFHENQT-NJAFHUGGSA-N 0 3 360.498 3.603 20 10 FHCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(C(F)(F)F)nc2N(C)C)c1 ZINC000894501573 945841383 /nfs/dbraw/zinc/84/13/83/945841383.db2.gz ANEFZFGMLJKZSV-LLVKDONJSA-N 0 3 369.387 3.731 20 10 FHCDHN Cc1cc([O-])c(C[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)c(Cl)c1 ZINC000840882902 946434101 /nfs/dbraw/zinc/43/41/01/946434101.db2.gz BWEPPOGSTUFZIA-MRXNPFEDSA-N 0 3 374.912 3.865 20 10 FHCDHN COc1cc(CNCc2c(C)c3ccccc3n2C)cc(OC)c1OC ZINC000475197291 946704142 /nfs/dbraw/zinc/70/41/42/946704142.db2.gz MDCDEJOMHHQHJK-UHFFFAOYSA-N 0 3 354.450 3.802 20 10 FHCDHN COc1cc(Br)cc(C[NH2+]C[C@H](C)CC(F)(F)F)c1[O-] ZINC000840964880 947082668 /nfs/dbraw/zinc/08/26/68/947082668.db2.gz WXBIYXRZKLZOPG-MRVPVSSYSA-N 0 3 356.182 3.841 20 10 FHCDHN CC(C)(C)c1cc(CNCC(=O)NCc2ccco2)c(O)c(C(C)(C)C)c1 ZINC000236778231 947675714 /nfs/dbraw/zinc/67/57/14/947675714.db2.gz GFIBRBUEYHJKGP-UHFFFAOYSA-N 0 3 372.509 3.986 20 10 FHCDHN O=C(c1cccc2c1CCNC2)N1CC2(CCCC2)c2c1cccc2F ZINC000662555935 947901304 /nfs/dbraw/zinc/90/13/04/947901304.db2.gz YETJNPHBGDEQSI-UHFFFAOYSA-N 0 3 350.437 3.944 20 10 FHCDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c2c1c(F)ccc2[O-] ZINC000760038538 948120332 /nfs/dbraw/zinc/12/03/32/948120332.db2.gz CEXFPYXERNGVDR-KMCYFTPSSA-N 0 3 359.416 3.975 20 10 FHCDHN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000121590014 936333961 /nfs/dbraw/zinc/33/39/61/936333961.db2.gz SLROYQGSOMVQDS-IRXDYDNUSA-N 0 3 367.493 3.893 20 10 FHCDHN CC[C@H]([NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1)c1ccccc1[O-] ZINC000155792860 930888827 /nfs/dbraw/zinc/88/88/27/930888827.db2.gz AJCAQTQVYMBTKI-IBGZPJMESA-N 0 3 357.498 3.950 20 10 FHCDHN CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(OC)c(OC)c1O)CCC2 ZINC000892141392 935108095 /nfs/dbraw/zinc/10/80/95/935108095.db2.gz SQYKMSIKSLMAAH-AWEZNQCLSA-N 0 3 362.495 3.938 20 10 FHCDHN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000162114188 938658897 /nfs/dbraw/zinc/65/88/97/938658897.db2.gz FNJQCGOMOFABGA-MRXNPFEDSA-N 0 3 355.438 3.624 20 10 FHCDHN CN(C)c1ccc(CN(C)C(=O)CN[C@H](c2ccccc2)C2CCC2)cc1 ZINC000729475133 945271036 /nfs/dbraw/zinc/27/10/36/945271036.db2.gz QOLYRZUTPLZAJB-HSZRJFAPSA-N 0 3 365.521 3.842 20 10 FHCDHN CC[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccccc1[O-] ZINC000376075075 940275430 /nfs/dbraw/zinc/27/54/30/940275430.db2.gz STXGNOWQQZZILQ-MRXNPFEDSA-N 0 3 361.873 3.719 20 10 FHCDHN CCOc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000160376700 940822468 /nfs/dbraw/zinc/82/24/68/940822468.db2.gz DPUUGLUUNOMOTH-UHFFFAOYSA-N 0 3 370.493 3.563 20 10 FHCDHN COc1ccc(CNCc2ccccc2OCC(F)(F)F)c(O)c1OC ZINC000892653756 941083878 /nfs/dbraw/zinc/08/38/78/941083878.db2.gz MNWRDWMDHIHNNW-UHFFFAOYSA-N 0 3 371.355 3.640 20 10 FHCDHN C[N@@H+](Cc1ccccc1[O-])CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377925562 942073970 /nfs/dbraw/zinc/07/39/70/942073970.db2.gz YXMRCQSCLLBHOF-UHFFFAOYSA-N 0 3 353.466 3.768 20 10 FHCDHN C[N@H+](Cc1ccccc1[O-])CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377925562 942073988 /nfs/dbraw/zinc/07/39/88/942073988.db2.gz YXMRCQSCLLBHOF-UHFFFAOYSA-N 0 3 353.466 3.768 20 10 FHCDHN C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(Br)cc1[O-] ZINC000273465292 942964223 /nfs/dbraw/zinc/96/42/23/942964223.db2.gz DQEBJGYXFTZCRX-GFCCVEGCSA-N 0 3 353.304 3.822 20 10 FHCDHN COc1cc(C)cc(CN[C@@H](C)c2ccc(Br)cn2)c1O ZINC000894617401 944323555 /nfs/dbraw/zinc/32/35/55/944323555.db2.gz IJEKVVXCYHUWDF-NSHDSACASA-N 0 3 351.244 3.718 20 10 FHCDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000517674870 944482428 /nfs/dbraw/zinc/48/24/28/944482428.db2.gz CJAAPMACVVNVGB-LJQANCHMSA-N 0 3 371.525 3.509 20 10 FHCDHN CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC001271242045 945573659 /nfs/dbraw/zinc/57/36/59/945573659.db2.gz OBFPLKVAFHENQT-SZMVWBNQSA-N 0 3 360.498 3.603 20 10 FHCDHN CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC001271242045 945573662 /nfs/dbraw/zinc/57/36/62/945573662.db2.gz OBFPLKVAFHENQT-SZMVWBNQSA-N 0 3 360.498 3.603 20 10 FHCDHN COC[C@@H](NCc1ccc(OC)c(OC)c1O)c1cccc(Cl)c1 ZINC000894526924 945911759 /nfs/dbraw/zinc/91/17/59/945911759.db2.gz KCMVJODFUMRJDK-OAHLLOKOSA-N 0 3 351.830 3.540 20 10 FHCDHN CCOC(=O)C1(C(F)(F)F)CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000896962277 946374219 /nfs/dbraw/zinc/37/42/19/946374219.db2.gz VSNNIXUWKQLRMV-UHFFFAOYSA-N 0 3 359.388 3.717 20 10 FHCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)c1[O-] ZINC000310627335 946667007 /nfs/dbraw/zinc/66/70/07/946667007.db2.gz DGGIIQXBYCVCGI-KSSFIOAISA-N 0 3 360.885 3.807 20 10 FHCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCc3nccn3C2)c1[O-] ZINC000278983586 948364602 /nfs/dbraw/zinc/36/46/02/948364602.db2.gz PEONLVWJGJTCFR-CHWSQXEVSA-N 0 3 364.287 3.573 20 10 FHCDHN CC[N@H+](Cc1cc(C)c(C)cc1O)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825429250 608550078 /nfs/dbraw/zinc/55/00/78/608550078.db2.gz ZFQPAROGCAZPOM-OAHLLOKOSA-N 0 3 351.454 3.772 20 10 FHCDHN CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825429250 608550080 /nfs/dbraw/zinc/55/00/80/608550080.db2.gz ZFQPAROGCAZPOM-OAHLLOKOSA-N 0 3 351.454 3.772 20 10 FHCDHN CC[N@H+](Cc1cc(C)c(C)cc1O)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825429250 608550082 /nfs/dbraw/zinc/55/00/82/608550082.db2.gz ZFQPAROGCAZPOM-OAHLLOKOSA-N 0 3 351.454 3.772 20 10 FHCDHN CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825429250 608550083 /nfs/dbraw/zinc/55/00/83/608550083.db2.gz ZFQPAROGCAZPOM-OAHLLOKOSA-N 0 3 351.454 3.772 20 10 FHCDHN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000274759386 928019760 /nfs/dbraw/zinc/01/97/60/928019760.db2.gz JOROYRXUVZHMMX-JKSUJKDBSA-N 0 3 360.523 3.958 20 10 FHCDHN Cc1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1[O-] ZINC000274849190 928865454 /nfs/dbraw/zinc/86/54/54/928865454.db2.gz AVHQUCDFLSAVBE-UHFFFAOYSA-N 0 3 360.889 3.661 20 10 FHCDHN C[C@@H](NCc1ccc(C(N)=O)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154663747 929137081 /nfs/dbraw/zinc/13/70/81/929137081.db2.gz ZYNLAFPZZWHEDW-OAHLLOKOSA-N 0 3 355.457 3.766 20 10 FHCDHN O=C(Cc1ccccc1)OCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001167353015 930244968 /nfs/dbraw/zinc/24/49/68/930244968.db2.gz BQLJEZOTYZFKMD-UHFFFAOYSA-N 0 3 353.462 3.923 20 10 FHCDHN O=C(Cc1ccccc1)OCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC001167353015 930244980 /nfs/dbraw/zinc/24/49/80/930244980.db2.gz BQLJEZOTYZFKMD-UHFFFAOYSA-N 0 3 353.462 3.923 20 10 FHCDHN COc1ccc2cc(NCc3ccc(N4CCN(C)CC4)cc3)ncc2c1 ZINC001167427054 930950508 /nfs/dbraw/zinc/95/05/08/930950508.db2.gz VUFWRGFNKSKBAF-UHFFFAOYSA-N 0 3 362.477 3.607 20 10 FHCDHN C[C@@H](N[C@@H]1CCc2c1cccc2O)c1ccc(N2CCOCC2)c(F)c1 ZINC000130650263 938426329 /nfs/dbraw/zinc/42/63/29/938426329.db2.gz HTAHSINCUYVQPX-AUUYWEPGSA-N 0 3 356.441 3.706 20 10 FHCDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179475113 939172473 /nfs/dbraw/zinc/17/24/73/939172473.db2.gz NVSRKFJRVCBHJE-TZIWHRDSSA-N 0 3 367.493 3.759 20 10 FHCDHN C[C@H]([NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000179895353 940091248 /nfs/dbraw/zinc/09/12/48/940091248.db2.gz DMWOFHNJMRAWPL-GXTWGEPZSA-N 0 3 355.356 3.502 20 10 FHCDHN CC[C@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(C)cc1[O-] ZINC000376113586 940329602 /nfs/dbraw/zinc/32/96/02/940329602.db2.gz KTAPHLWMJDONJA-HFTRVMKXSA-N 0 3 357.454 3.922 20 10 FHCDHN COc1ccc2ccc([O-])c(C[NH+]3CCN(c4cc(C)ccn4)CC3)c2c1 ZINC000165875220 941163476 /nfs/dbraw/zinc/16/34/76/941163476.db2.gz ASKPSZJDVQXPBN-UHFFFAOYSA-N 0 3 363.461 3.580 20 10 FHCDHN CC[C@H](c1ccccc1O)N1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000377693513 941907728 /nfs/dbraw/zinc/90/77/28/941907728.db2.gz GSPOGRPMQYILRO-CVEARBPZSA-N 0 3 365.437 3.911 20 10 FHCDHN Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H](C)c2ccc(C)cc2[O-])oc1C ZINC000377787844 941988954 /nfs/dbraw/zinc/98/89/54/941988954.db2.gz VMYWQERWKXJLLS-XIRDDKMYSA-N 0 3 361.461 3.569 20 10 FHCDHN c1ccc(N2CCCCC2)c(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000236669166 942436774 /nfs/dbraw/zinc/43/67/74/942436774.db2.gz WNJQGPPEWDJKPT-UHFFFAOYSA-N 0 3 365.521 3.803 20 10 FHCDHN C[C@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000760017471 943020130 /nfs/dbraw/zinc/02/01/30/943020130.db2.gz MNBPZHWEMJKEFD-YJBOKZPZSA-N 0 3 360.498 3.800 20 10 FHCDHN CC[C@@H](c1ccccc1)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759872778 944660951 /nfs/dbraw/zinc/66/09/51/944660951.db2.gz PABNPBSWDHVVBQ-IBGZPJMESA-N 0 3 370.493 3.986 20 10 FHCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000364420833 944661136 /nfs/dbraw/zinc/66/11/36/944661136.db2.gz WUECVTUMHNHGTN-GOSISDBHSA-N 0 3 353.466 3.897 20 10 FHCDHN COc1cc(N2CCN(CCCC3CCCC3)CC2)cc(OC)c1OC ZINC000759876684 944667751 /nfs/dbraw/zinc/66/77/51/944667751.db2.gz BLPLNNTXXCSNFN-UHFFFAOYSA-N 0 3 362.514 3.805 20 10 FHCDHN Cc1cc(Br)cc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)c1[O-] ZINC000897080843 946569741 /nfs/dbraw/zinc/56/97/41/946569741.db2.gz DLANWNJXRNGKJT-HNNXBMFYSA-N 0 3 352.276 3.684 20 10 FHCDHN C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)c1ccccc1[O-] ZINC000760032551 946886495 /nfs/dbraw/zinc/88/64/95/946886495.db2.gz GSOGUTGRJCLMIJ-ZIAGYGMSSA-N 0 3 364.283 3.657 20 10 FHCDHN CCOc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)c([O-])c1 ZINC000897267550 947080298 /nfs/dbraw/zinc/08/02/98/947080298.db2.gz LVMKMNTXBUEFIK-FQEVSTJZSA-N 0 3 369.461 3.642 20 10 FHCDHN COCc1ccccc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000162966893 948085202 /nfs/dbraw/zinc/08/52/02/948085202.db2.gz ZQAKLQSAOGSUTL-UHFFFAOYSA-N 0 3 367.493 3.616 20 10 FHCDHN COc1cccc(CN(Cc2cccc(OC)c2O)C[C@H]2CCCO2)c1 ZINC000013993773 220102089 /nfs/dbraw/zinc/10/20/89/220102089.db2.gz VMUJLBGIHHJTGY-LJQANCHMSA-N 0 3 357.450 3.591 20 10 FHCDHN c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826517351 608500904 /nfs/dbraw/zinc/50/09/04/608500904.db2.gz ZLHNKBUEJBYEAN-NRFANRHFSA-N 0 3 374.492 3.634 20 10 FHCDHN c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826517351 608500905 /nfs/dbraw/zinc/50/09/05/608500905.db2.gz ZLHNKBUEJBYEAN-NRFANRHFSA-N 0 3 374.492 3.634 20 10 FHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1OC ZINC000160204443 927268132 /nfs/dbraw/zinc/26/81/32/927268132.db2.gz MPKROFLROUMFMX-IBGZPJMESA-N 0 3 371.477 3.981 20 10 FHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1OC ZINC000160204443 927268155 /nfs/dbraw/zinc/26/81/55/927268155.db2.gz MPKROFLROUMFMX-IBGZPJMESA-N 0 3 371.477 3.981 20 10 FHCDHN CCOc1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1OC ZINC000160204591 927268376 /nfs/dbraw/zinc/26/83/76/927268376.db2.gz MPKROFLROUMFMX-LJQANCHMSA-N 0 3 371.477 3.981 20 10 FHCDHN CCOc1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1OC ZINC000160204591 927268381 /nfs/dbraw/zinc/26/83/81/927268381.db2.gz MPKROFLROUMFMX-LJQANCHMSA-N 0 3 371.477 3.981 20 10 FHCDHN Cc1cncc([C@@H](C)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000274656012 927369623 /nfs/dbraw/zinc/36/96/23/927369623.db2.gz VVINRDJJQNHEGC-IXDOHACOSA-N 0 3 357.473 3.994 20 10 FHCDHN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000050901715 931809508 /nfs/dbraw/zinc/80/95/08/931809508.db2.gz LDNDJCKQNGVNOL-KRWDZBQOSA-N 0 3 370.493 3.682 20 10 FHCDHN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1 ZINC000050901715 931809509 /nfs/dbraw/zinc/80/95/09/931809509.db2.gz LDNDJCKQNGVNOL-KRWDZBQOSA-N 0 3 370.493 3.682 20 10 FHCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157068573 931815854 /nfs/dbraw/zinc/81/58/54/931815854.db2.gz IKAPNQRGIPEGSZ-OAHLLOKOSA-N 0 3 371.437 3.848 20 10 FHCDHN Cc1c([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000151066364 939962056 /nfs/dbraw/zinc/96/20/56/939962056.db2.gz GOXGSSACICJXQI-MRXNPFEDSA-N 0 3 355.438 3.591 20 10 FHCDHN COc1cc(C[NH2+]Cc2ccccc2[O-])ccc1OCc1ccncc1 ZINC000725845819 940246127 /nfs/dbraw/zinc/24/61/27/940246127.db2.gz JDCJWXUWMGGQMZ-UHFFFAOYSA-N 0 3 350.418 3.665 20 10 FHCDHN CC[C@H](C)C(=O)Nc1cccc(CNCc2ccc(OC)c(OC)c2O)c1 ZINC000892646721 941070551 /nfs/dbraw/zinc/07/05/51/941070551.db2.gz YHIWJQDGOJOBMG-AWEZNQCLSA-N 0 3 372.465 3.684 20 10 FHCDHN COc1ccc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(O)c1OC ZINC000892693099 941313151 /nfs/dbraw/zinc/31/31/51/941313151.db2.gz BSMOMVQZOVZPNH-FUHWJXTLSA-N 0 3 361.413 3.558 20 10 FHCDHN CN(C)c1ccc(CN[C@H]2CCCc3c2cnn3C)c(C(F)(F)F)c1 ZINC000279983900 942083784 /nfs/dbraw/zinc/08/37/84/942083784.db2.gz QPNMZSSKRRGLLT-INIZCTEOSA-N 0 3 352.404 3.672 20 10 FHCDHN COc1ccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)c(O)c1OC ZINC000893135749 942093434 /nfs/dbraw/zinc/09/34/34/942093434.db2.gz SFLNQYVDSKQRAM-INIZCTEOSA-N 0 3 355.434 3.946 20 10 FHCDHN CC[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(C)cc1[O-] ZINC000280277984 942156401 /nfs/dbraw/zinc/15/64/01/942156401.db2.gz YGXJNQQAYRXNDW-LPHOPBHVSA-N 0 3 355.482 3.562 20 10 FHCDHN CN(C(=O)[C@H]1CC12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2)C1CC1 ZINC000378437025 942762500 /nfs/dbraw/zinc/76/25/00/942762500.db2.gz RQPOROLMMQQQTA-HXUWFJFHSA-N 0 3 364.489 3.768 20 10 FHCDHN Cc1cccnc1NC(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000378439200 942765573 /nfs/dbraw/zinc/76/55/73/942765573.db2.gz MZCRQSVYFABQTL-UHFFFAOYSA-N 0 3 373.884 3.908 20 10 FHCDHN O=C1NCCC2(CC[NH+](Cc3cc(-c4ccccc4)ccc3[O-])CC2)O1 ZINC000897018742 946463595 /nfs/dbraw/zinc/46/35/95/946463595.db2.gz MEYPXGJEKFLLON-UHFFFAOYSA-N 0 3 352.434 3.524 20 10 FHCDHN Oc1ccccc1C[NH2+]Cc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000738400482 598887692 /nfs/dbraw/zinc/88/76/92/598887692.db2.gz JIFVEZYQSMVMCM-UHFFFAOYSA-N 0 3 363.446 3.591 20 10 FHCDHN COc1cc(O)c(CN2CCC(Oc3ccc(C)cc3)CC2)cc1OC ZINC000160209462 927286762 /nfs/dbraw/zinc/28/67/62/927286762.db2.gz WHARTBDMAIEFAS-UHFFFAOYSA-N 0 3 357.450 3.761 20 10 FHCDHN C[NH+](C)CC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708210980 937163366 /nfs/dbraw/zinc/16/33/66/937163366.db2.gz JLLUJLZDFPFIIE-UHFFFAOYSA-N 0 3 361.711 3.582 20 10 FHCDHN COCCOc1ccc(N2CCN(CC[C@H](C)c3ccc(C)o3)CC2)cc1 ZINC001208167791 927929389 /nfs/dbraw/zinc/92/93/89/927929389.db2.gz KHTJZLLSDRSJFR-SFHVURJKSA-N 0 3 372.509 3.929 20 10 FHCDHN CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)CC(F)F)N(C)C)cc1 ZINC000891245772 930520089 /nfs/dbraw/zinc/52/00/89/930520089.db2.gz IYHMSKDNLHAPHA-MRXNPFEDSA-N 0 3 355.473 3.543 20 10 FHCDHN CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)CC(F)F)N(C)C)cc1 ZINC000891245771 930520241 /nfs/dbraw/zinc/52/02/41/930520241.db2.gz IYHMSKDNLHAPHA-INIZCTEOSA-N 0 3 355.473 3.543 20 10 FHCDHN CN(C)c1ccc([C@@H](CNC(=O)c2cscc2Cl)N(C)C)cc1 ZINC000891248250 930533754 /nfs/dbraw/zinc/53/37/54/930533754.db2.gz XEPUEFFULCLWIS-MRXNPFEDSA-N 0 3 351.903 3.500 20 10 FHCDHN CSc1ccsc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891254257 930551242 /nfs/dbraw/zinc/55/12/42/930551242.db2.gz XXXKDWWFANZWFN-OAHLLOKOSA-N 0 3 363.552 3.569 20 10 FHCDHN COc1ccc(CN(C)Cc2ccccc2N2CCCC2)c(O)c1OC ZINC000891526749 932703771 /nfs/dbraw/zinc/70/37/71/932703771.db2.gz OZTKTLKJGJBRPT-UHFFFAOYSA-N 0 3 356.466 3.642 20 10 FHCDHN CCc1nc(C)c([C@@H](C)N(C)Cc2ccc(OC)c(OC)c2O)s1 ZINC000892102651 935000828 /nfs/dbraw/zinc/00/08/28/935000828.db2.gz FKEGAUZCVHQMRB-GFCCVEGCSA-N 0 3 350.484 3.930 20 10 FHCDHN C[C@H](N[C@@H](CO)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000181395766 941152281 /nfs/dbraw/zinc/15/22/81/941152281.db2.gz GMRAFMHJNWUSLR-UGSOOPFHSA-N 0 3 363.299 3.899 20 10 FHCDHN CC[C@@H](c1ccccc1O)N1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000377693514 941907793 /nfs/dbraw/zinc/90/77/93/941907793.db2.gz GSPOGRPMQYILRO-HOTGVXAUSA-N 0 3 365.437 3.911 20 10 FHCDHN CC[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(C)cc1[O-] ZINC000280277990 942156495 /nfs/dbraw/zinc/15/64/95/942156495.db2.gz YGXJNQQAYRXNDW-VQIMIIECSA-N 0 3 355.482 3.562 20 10 FHCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000179983727 942309736 /nfs/dbraw/zinc/30/97/36/942309736.db2.gz GJMSTVXCDMPLDW-SJPCQFCGSA-N 0 3 364.461 3.894 20 10 FHCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000179983727 942309741 /nfs/dbraw/zinc/30/97/41/942309741.db2.gz GJMSTVXCDMPLDW-SJPCQFCGSA-N 0 3 364.461 3.894 20 10 FHCDHN CCCOc1ccc(C[NH2+]Cc2ccccc2-c2cnn(C)c2)c([O-])c1 ZINC000378274721 942493012 /nfs/dbraw/zinc/49/30/12/942493012.db2.gz SVOZLWYXXDPFRF-UHFFFAOYSA-N 0 3 351.450 3.871 20 10 FHCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc2ccccc2c1[O-] ZINC000273473560 942965532 /nfs/dbraw/zinc/96/55/32/942965532.db2.gz KFWUFFPSGKHQOD-RVHYNSKXSA-N 0 3 354.494 3.574 20 10 FHCDHN C[C@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000760017463 942998415 /nfs/dbraw/zinc/99/84/15/942998415.db2.gz MNBPZHWEMJKEFD-MAUKXSAKSA-N 0 3 360.498 3.800 20 10 FHCDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])CC1CCS(=O)(=O)CC1 ZINC000271793535 943051520 /nfs/dbraw/zinc/05/15/20/943051520.db2.gz ARNIVDVKRQSLMD-QGZVFWFLSA-N 0 3 373.518 3.780 20 10 FHCDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])CC1CCS(=O)(=O)CC1 ZINC000271793535 943051527 /nfs/dbraw/zinc/05/15/27/943051527.db2.gz ARNIVDVKRQSLMD-QGZVFWFLSA-N 0 3 373.518 3.780 20 10 FHCDHN CC(=O)N1CC[C@H](NCc2ccc(N(C)C)c(F)c2)c2ccc(F)cc2C1 ZINC000364066293 943481223 /nfs/dbraw/zinc/48/12/23/943481223.db2.gz YHYZIBFVGQQHEE-FQEVSTJZSA-N 0 3 373.447 3.614 20 10 FHCDHN CC(=O)c1cc(F)cc(CN2CCC3(CC2)OCc2ccccc23)c1O ZINC000759783378 944211666 /nfs/dbraw/zinc/21/16/66/944211666.db2.gz KWSIAGOWWIDZQJ-UHFFFAOYSA-N 0 3 355.409 3.755 20 10 FHCDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000297374667 944341092 /nfs/dbraw/zinc/34/10/92/944341092.db2.gz QROCUHKMRRWSOE-CVEARBPZSA-N 0 3 355.438 3.843 20 10 FHCDHN Cc1nc(C)c(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000123762489 944417025 /nfs/dbraw/zinc/41/70/25/944417025.db2.gz SQOCINMZRGWXJN-MRXNPFEDSA-N 0 3 365.930 3.873 20 10 FHCDHN CC(=O)N1CCC(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1 ZINC000293653585 944873774 /nfs/dbraw/zinc/87/37/74/944873774.db2.gz ISZBCTNBPNLOMI-JOCHJYFZSA-N 0 3 366.505 3.914 20 10 FHCDHN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000820425662 945447275 /nfs/dbraw/zinc/44/72/75/945447275.db2.gz ACRQHOODILKJTM-MRXNPFEDSA-N 0 3 362.481 3.708 20 10 FHCDHN OCC1([C@H](NCc2ccc3c(c2)CCCO3)c2ccccc2)CCOCC1 ZINC000894919691 946605274 /nfs/dbraw/zinc/60/52/74/946605274.db2.gz KLRLBYMYEWPUDL-JOCHJYFZSA-N 0 3 367.489 3.632 20 10 FHCDHN COCCOc1ccc(CNCc2c(C)c3ccccc3n2C)cc1OC ZINC000475199757 946715074 /nfs/dbraw/zinc/71/50/74/946715074.db2.gz XEWMWOVQOLVDMI-UHFFFAOYSA-N 0 3 368.477 3.810 20 10 FHCDHN CC(C)c1ccc(O)c(C[NH2+]C(C)(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001574418214 948776270 /nfs/dbraw/zinc/77/62/70/948776270.db2.gz VNJDTPQPDAGZAI-UHFFFAOYSA-N 0 3 365.481 3.807 20 10 FHCDHN COc1ccc(CN[C@@H](C)c2cc(Cl)cc3c2OCC3)c(O)c1OC ZINC000897339747 948789685 /nfs/dbraw/zinc/78/96/85/948789685.db2.gz MIMGSUGDZKXXEW-NSHDSACASA-N 0 3 363.841 3.849 20 10 FHCDHN COc1cccc(CN(Cc2cccc(OC)c2O)C[C@@H]2CCCO2)c1 ZINC000013993770 220102142 /nfs/dbraw/zinc/10/21/42/220102142.db2.gz VMUJLBGIHHJTGY-IBGZPJMESA-N 0 3 357.450 3.591 20 10 FHCDHN Cn1cc(-c2ncc(C[N@H+](Cc3ccccc3[O-])C3CCCC3)cn2)cn1 ZINC000365422692 568651144 /nfs/dbraw/zinc/65/11/44/568651144.db2.gz VJZSOMDWGAXHDZ-UHFFFAOYSA-N 0 3 363.465 3.528 20 10 FHCDHN Cn1cc(-c2ncc(C[N@@H+](Cc3ccccc3[O-])C3CCCC3)cn2)cn1 ZINC000365422692 568651145 /nfs/dbraw/zinc/65/11/45/568651145.db2.gz VJZSOMDWGAXHDZ-UHFFFAOYSA-N 0 3 363.465 3.528 20 10 FHCDHN CC[C@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC000820921525 607087038 /nfs/dbraw/zinc/08/70/38/607087038.db2.gz ZBRBZHYTHXZLRE-LIRRHRJNSA-N 0 3 350.470 3.735 20 10 FHCDHN CC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC000820921525 607087040 /nfs/dbraw/zinc/08/70/40/607087040.db2.gz ZBRBZHYTHXZLRE-LIRRHRJNSA-N 0 3 350.470 3.735 20 10 FHCDHN CCOc1cccc(C[N@H+](CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1O ZINC000825649668 608551221 /nfs/dbraw/zinc/55/12/21/608551221.db2.gz UTZXZEUMNCQDAR-AWEZNQCLSA-N 0 3 367.453 3.554 20 10 FHCDHN CCOc1cccc(C[N@@H+](CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1O ZINC000825649668 608551223 /nfs/dbraw/zinc/55/12/23/608551223.db2.gz UTZXZEUMNCQDAR-AWEZNQCLSA-N 0 3 367.453 3.554 20 10 FHCDHN CCOc1cccc(C[N@H+](CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000825649668 608551225 /nfs/dbraw/zinc/55/12/25/608551225.db2.gz UTZXZEUMNCQDAR-AWEZNQCLSA-N 0 3 367.453 3.554 20 10 FHCDHN CCOc1cccc(C[N@@H+](CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000825649668 608551226 /nfs/dbraw/zinc/55/12/26/608551226.db2.gz UTZXZEUMNCQDAR-AWEZNQCLSA-N 0 3 367.453 3.554 20 10 FHCDHN