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(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1C ZINC000160170347 927072651 /nfs/dbraw/zinc/07/26/51/927072651.db2.gz UJHGFMZYZKCVCH-IBGZPJMESA-N 1 1 357.498 3.797 20 10 FHCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1OC ZINC000160214519 927349061 /nfs/dbraw/zinc/34/90/61/927349061.db2.gz ZSAZFOPIWCQROZ-SFHVURJKSA-N 1 1 356.466 3.813 20 10 FHCDMO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000160262419 928909852 /nfs/dbraw/zinc/90/98/52/928909852.db2.gz GLWJIPPGQPGYCH-ROUUACIJSA-N 1 1 363.521 3.577 20 10 FHCDMO C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000160262419 928909864 /nfs/dbraw/zinc/90/98/64/928909864.db2.gz GLWJIPPGQPGYCH-ROUUACIJSA-N 1 1 363.521 3.577 20 10 FHCDMO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000154948500 929543013 /nfs/dbraw/zinc/54/30/13/929543013.db2.gz DKUHFJIKBHPYSP-NRFANRHFSA-N 1 1 372.534 3.552 20 10 FHCDMO COc1cc(O)c(CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1OC ZINC000160323753 929791107 /nfs/dbraw/zinc/79/11/07/929791107.db2.gz YTRKYAGTBMCQRR-KRWDZBQOSA-N 1 1 370.493 3.506 20 10 FHCDMO COc1cc(O)c(C[N@@H+]2CC[C@H](C)N(Cc3ccccc3)CC2)cc1OC ZINC000160323753 929791115 /nfs/dbraw/zinc/79/11/15/929791115.db2.gz YTRKYAGTBMCQRR-KRWDZBQOSA-N 1 1 370.493 3.506 20 10 FHCDMO COc1cc(O)c(C[N@H+]2CC[C@H](C)N(Cc3ccccc3)CC2)cc1OC ZINC000160323753 929791120 /nfs/dbraw/zinc/79/11/20/929791120.db2.gz YTRKYAGTBMCQRR-KRWDZBQOSA-N 1 1 370.493 3.506 20 10 FHCDMO Cn1nc2c(c1C[N@@H+](Cc1ccccc1O)C1CCCCC1)COCC2 ZINC000891435968 932302001 /nfs/dbraw/zinc/30/20/01/932302001.db2.gz IWNRPHYIZOSOJS-UHFFFAOYSA-N 1 1 355.482 3.533 20 10 FHCDMO O=C(C[N@H+]1CCC[C@@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255372193 932856461 /nfs/dbraw/zinc/85/64/61/932856461.db2.gz SEYBAMYUZSODTF-MRXNPFEDSA-N 1 1 352.438 3.745 20 10 FHCDMO O=C(C[N@@H+]1CCC[C@@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255372193 932856465 /nfs/dbraw/zinc/85/64/65/932856465.db2.gz SEYBAMYUZSODTF-MRXNPFEDSA-N 1 1 352.438 3.745 20 10 FHCDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000780496547 933279412 /nfs/dbraw/zinc/27/94/12/933279412.db2.gz UTJITPPANDLXDQ-KRWDZBQOSA-N 1 1 361.404 3.939 20 10 FHCDMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000176118023 933673923 /nfs/dbraw/zinc/67/39/23/933673923.db2.gz DRVSFOLMWGQAJN-VWLOTQADSA-N 1 1 361.507 3.765 20 10 FHCDMO Cc1cc(C(=O)C[N@@H+](C)Cc2ccccc2O)c(C)n1Cc1ccco1 ZINC000176334307 934752157 /nfs/dbraw/zinc/75/21/57/934752157.db2.gz QPVKYFVVKVCXPR-UHFFFAOYSA-N 1 1 352.434 3.767 20 10 FHCDMO Cc1cc(C(=O)C[N@H+](C)Cc2ccccc2O)c(C)n1Cc1ccco1 ZINC000176334307 934752162 /nfs/dbraw/zinc/75/21/62/934752162.db2.gz QPVKYFVVKVCXPR-UHFFFAOYSA-N 1 1 352.434 3.767 20 10 FHCDMO CC[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1O ZINC000796679769 935033405 /nfs/dbraw/zinc/03/34/05/935033405.db2.gz POTXNSIQWYLHOA-WOJBJXKFSA-N 1 1 358.457 3.646 20 10 FHCDMO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000157496110 935084269 /nfs/dbraw/zinc/08/42/69/935084269.db2.gz ITSIQHSTJCAWSI-INIZCTEOSA-N 1 1 371.504 3.985 20 10 FHCDMO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000157496260 935084411 /nfs/dbraw/zinc/08/44/11/935084411.db2.gz ITSIQHSTJCAWSI-MRXNPFEDSA-N 1 1 371.504 3.985 20 10 FHCDMO C[N@H+](Cc1csc(-c2ccoc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000108491923 935355457 /nfs/dbraw/zinc/35/54/57/935355457.db2.gz AJSGIVVKXHBABX-UHFFFAOYSA-N 1 1 369.490 3.872 20 10 FHCDMO C[N@@H+](Cc1csc(-c2ccoc2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000108491923 935355462 /nfs/dbraw/zinc/35/54/62/935355462.db2.gz AJSGIVVKXHBABX-UHFFFAOYSA-N 1 1 369.490 3.872 20 10 FHCDMO CC[C@@H](c1ccccc1O)[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000377640511 941864843 /nfs/dbraw/zinc/86/48/43/941864843.db2.gz BKJSAUPZHGITTB-NRFANRHFSA-N 1 1 353.510 3.877 20 10 FHCDMO Cc1cccc(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000122821925 942249571 /nfs/dbraw/zinc/24/95/71/942249571.db2.gz BNARYUVBSIBLQZ-LJQANCHMSA-N 1 1 367.445 3.736 20 10 FHCDMO C[N@H+](Cc1ccccc1O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001167735247 942581229 /nfs/dbraw/zinc/58/12/29/942581229.db2.gz WKCBFMINDKOJGK-UHFFFAOYSA-N 1 1 368.477 3.873 20 10 FHCDMO CCOc1ccc(-c2noc(C[NH2+][C@@H](C)c3cc(OC)ccc3O)n2)cc1 ZINC000182339302 942719130 /nfs/dbraw/zinc/71/91/30/942719130.db2.gz WGQLWMDEDDUIGG-ZDUSSCGKSA-N 1 1 369.421 3.700 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H](O)CCc1ccccc1 ZINC000182520119 942752550 /nfs/dbraw/zinc/75/25/50/942752550.db2.gz XRKQMUPHCUIWCX-FQEVSTJZSA-N 1 1 351.446 3.981 20 10 FHCDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183015499 942816805 /nfs/dbraw/zinc/81/68/05/942816805.db2.gz WUQZVCWGXZQRAR-UHFFFAOYSA-N 1 1 351.450 3.727 20 10 FHCDMO COc1cc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc(OC)c1OC ZINC000183704701 942905444 /nfs/dbraw/zinc/90/54/44/942905444.db2.gz FYUMUZAHCYLPBP-HNNXBMFYSA-N 1 1 374.456 3.735 20 10 FHCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000273378269 942944485 /nfs/dbraw/zinc/94/44/85/942944485.db2.gz HRECDCAEXSWLPE-YJYMSZOUSA-N 1 1 355.413 3.714 20 10 FHCDMO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H](C)c3ccc(F)cc3O)C2)c1 ZINC000185708643 943210285 /nfs/dbraw/zinc/21/02/85/943210285.db2.gz XWLVMWGVJYEGBY-LSDHHAIUSA-N 1 1 374.456 3.726 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cccs2)C1 ZINC000435644397 943525457 /nfs/dbraw/zinc/52/54/57/943525457.db2.gz IUPMFCLIUAHQGB-UHFFFAOYSA-N 1 1 367.518 3.786 20 10 FHCDMO CC(C)=CCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000436015738 943953955 /nfs/dbraw/zinc/95/39/55/943953955.db2.gz WSPIBCWXYLSHEV-UHFFFAOYSA-N 1 1 353.510 3.880 20 10 FHCDMO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NCc1cc(C)n(C)n1)N=[N+]=[N-] ZINC001167764999 944991864 /nfs/dbraw/zinc/99/18/64/944991864.db2.gz AQOQHPKIRQZPRV-SXGWCWSVSA-N 1 1 369.429 3.567 20 10 FHCDMO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)n1 ZINC000894541293 945966834 /nfs/dbraw/zinc/96/68/34/945966834.db2.gz ASXIHECMZBLNNR-CYBMUJFWSA-N 1 1 369.421 3.619 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)C[C@@H]2C)C1 ZINC000444258419 946141136 /nfs/dbraw/zinc/14/11/36/946141136.db2.gz HCOYYNGKNPTUBJ-SJORKVTESA-N 1 1 353.510 3.665 20 10 FHCDMO C[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1O ZINC000840882930 946438853 /nfs/dbraw/zinc/43/88/53/946438853.db2.gz WNOGCZRJKWRXMA-DGCLKSJQSA-N 1 1 357.347 3.977 20 10 FHCDMO CCCN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236744740 946468304 /nfs/dbraw/zinc/46/83/04/946468304.db2.gz DRHZXNSVGRSZKW-JOCHJYFZSA-N 1 1 365.521 3.715 20 10 FHCDMO C[C@H]([NH2+]CCOc1ncccc1F)c1cc(Br)c(F)cc1O ZINC000756757619 946530988 /nfs/dbraw/zinc/53/09/88/946530988.db2.gz CWCPXLDXYGYQBW-VIFPVBQESA-N 1 1 373.197 3.558 20 10 FHCDMO COc1c(O)c(C[NH2+][C@@H](C)c2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000278857365 947546730 /nfs/dbraw/zinc/54/67/30/947546730.db2.gz LSDHNOWSQZTXCN-JTQLQIEISA-N 1 1 368.336 3.761 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccnc2F)C1 ZINC000843691106 948427281 /nfs/dbraw/zinc/42/72/81/948427281.db2.gz CZRGGDPGLSOBPR-UHFFFAOYSA-N 1 1 366.440 3.581 20 10 FHCDMO CCOc1ccc(O)c(C[N@@H+](CC)[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825643975 608551095 /nfs/dbraw/zinc/55/10/95/608551095.db2.gz YXWDLCUPFNALNT-AWEZNQCLSA-N 1 1 367.453 3.554 20 10 FHCDMO CCC[N@H+](Cc1ccccc1O)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000161530034 937120972 /nfs/dbraw/zinc/12/09/72/937120972.db2.gz MIUWQMLJJZSQFH-UHFFFAOYSA-N 1 1 357.479 3.719 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1c(Cl)nc2ccccn21)C[C@H]1CCCO1 ZINC000160172779 927084078 /nfs/dbraw/zinc/08/40/78/927084078.db2.gz WGUIENHOSUWSJY-MRXNPFEDSA-N 1 1 371.868 3.875 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1c(Cl)nc2ccccn21)C[C@H]1CCCO1 ZINC000160172779 927084090 /nfs/dbraw/zinc/08/40/90/927084090.db2.gz WGUIENHOSUWSJY-MRXNPFEDSA-N 1 1 371.868 3.875 20 10 FHCDMO CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708213218 937163518 /nfs/dbraw/zinc/16/35/18/937163518.db2.gz ZEDCRBWUCNUGKN-UHFFFAOYSA-N 1 1 361.711 3.724 20 10 FHCDMO CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708213218 937163519 /nfs/dbraw/zinc/16/35/19/937163519.db2.gz ZEDCRBWUCNUGKN-UHFFFAOYSA-N 1 1 361.711 3.724 20 10 FHCDMO CC[C@H]([NH2+][C@@H](c1nccn1C)c1cccc(OC)c1)c1ccccc1O ZINC000155045938 937281103 /nfs/dbraw/zinc/28/11/03/937281103.db2.gz LBFGCCPUZKBOMZ-AZUAARDMSA-N 1 1 351.450 3.965 20 10 FHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000471612987 931040788 /nfs/dbraw/zinc/04/07/88/931040788.db2.gz VWMACMXIGSXDEJ-HZPDHXFCSA-N 1 1 356.514 3.549 20 10 FHCDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OC)c(OC)c2O)cc1OC ZINC000891552638 932747321 /nfs/dbraw/zinc/74/73/21/932747321.db2.gz CSNKNNMYFRCHEY-INIZCTEOSA-N 1 1 373.449 3.764 20 10 FHCDMO COc1ccc2ccc(O)c(C[N@@H+](C)Cc3ccc([S@@](C)=O)cc3)c2c1 ZINC000176125250 933750718 /nfs/dbraw/zinc/75/07/18/933750718.db2.gz BYLPZXBBRIEMAX-AREMUKBSSA-N 1 1 369.486 3.923 20 10 FHCDMO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(N2CCCCC2)cc1 ZINC000157569988 935092393 /nfs/dbraw/zinc/09/23/93/935092393.db2.gz DYFRSMWQYCYJIN-KRWDZBQOSA-N 1 1 353.514 3.846 20 10 FHCDMO COc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c(O)c1OC ZINC000892216294 935378390 /nfs/dbraw/zinc/37/83/90/935378390.db2.gz IBPYVGDSVNHOAZ-GJZGRUSLSA-N 1 1 363.479 3.559 20 10 FHCDMO CC[C@@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1)c1ccc(F)cc1O ZINC000796681551 936113063 /nfs/dbraw/zinc/11/30/63/936113063.db2.gz YMFAKDVVRZLGEB-QZTJIDSGSA-N 1 1 362.445 3.547 20 10 FHCDMO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1O ZINC000375836614 939958038 /nfs/dbraw/zinc/95/80/38/939958038.db2.gz DMSZDBJYJCDEBX-XPGWFJOJSA-N 1 1 357.473 3.878 20 10 FHCDMO COC(=O)C[N@H+](CCCc1ccsc1)Cc1cc(Cl)ccc1O ZINC000782949141 941326974 /nfs/dbraw/zinc/32/69/74/941326974.db2.gz BYWHIAHSUFEIBL-UHFFFAOYSA-N 1 1 353.871 3.715 20 10 FHCDMO COC(=O)C[N@@H+](CCCc1ccsc1)Cc1cc(Cl)ccc1O ZINC000782949141 941326977 /nfs/dbraw/zinc/32/69/77/941326977.db2.gz BYWHIAHSUFEIBL-UHFFFAOYSA-N 1 1 353.871 3.715 20 10 FHCDMO CC[C@H](c1ccccc1O)[N@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000377693515 941907436 /nfs/dbraw/zinc/90/74/36/941907436.db2.gz GSPOGRPMQYILRO-HZPDHXFCSA-N 1 1 365.437 3.911 20 10 FHCDMO COc1cc(Cl)cc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)c1[O-] ZINC000377698781 941909564 /nfs/dbraw/zinc/90/95/64/941909564.db2.gz LDVMEILHDQYZOZ-UHFFFAOYSA-N 1 1 361.873 3.550 20 10 FHCDMO COc1cc(Cl)cc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)c1[O-] ZINC000377698781 941909565 /nfs/dbraw/zinc/90/95/65/941909565.db2.gz LDVMEILHDQYZOZ-UHFFFAOYSA-N 1 1 361.873 3.550 20 10 FHCDMO C[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000015571575 942246045 /nfs/dbraw/zinc/24/60/45/942246045.db2.gz SXOJDWYLWFKMTC-UHFFFAOYSA-N 1 1 352.438 3.952 20 10 FHCDMO C[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000015571575 942246051 /nfs/dbraw/zinc/24/60/51/942246051.db2.gz SXOJDWYLWFKMTC-UHFFFAOYSA-N 1 1 352.438 3.952 20 10 FHCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273495920 942970695 /nfs/dbraw/zinc/97/06/95/942970695.db2.gz OJZDKKVNXWGSPM-FUHWJXTLSA-N 1 1 359.397 3.612 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[C@@H](C)C2)C1 ZINC000436016622 943956225 /nfs/dbraw/zinc/95/62/25/943956225.db2.gz SFPGOONDCBUWKR-IAGOWNOFSA-N 1 1 353.510 3.713 20 10 FHCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(Br)c2[O-])C[C@H]1C ZINC000781907148 944108395 /nfs/dbraw/zinc/10/83/95/944108395.db2.gz DIYXSRORLJRCSQ-HIFRSBDPSA-N 1 1 355.320 3.768 20 10 FHCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(Br)c2[O-])C[C@H]1C ZINC000781907148 944108399 /nfs/dbraw/zinc/10/83/99/944108399.db2.gz DIYXSRORLJRCSQ-HIFRSBDPSA-N 1 1 355.320 3.768 20 10 FHCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(Br)c2[O-])C[C@H]1C ZINC000781907148 944108403 /nfs/dbraw/zinc/10/84/03/944108403.db2.gz DIYXSRORLJRCSQ-HIFRSBDPSA-N 1 1 355.320 3.768 20 10 FHCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000781911343 944184919 /nfs/dbraw/zinc/18/49/19/944184919.db2.gz LJTSGYDPOFRNIS-LBPRGKRZSA-N 1 1 370.287 3.627 20 10 FHCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000781911343 944184922 /nfs/dbraw/zinc/18/49/22/944184922.db2.gz LJTSGYDPOFRNIS-LBPRGKRZSA-N 1 1 370.287 3.627 20 10 FHCDMO CC1=CCCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C1 ZINC000437979831 944264542 /nfs/dbraw/zinc/26/45/42/944264542.db2.gz YVMYODSDHYYKFC-UHFFFAOYSA-N 1 1 351.494 3.586 20 10 FHCDMO Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001167982695 944555041 /nfs/dbraw/zinc/55/50/41/944555041.db2.gz FWLTYAZSXMXXKQ-XYJFISCASA-N 1 1 373.415 3.873 20 10 FHCDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000843763703 945549791 /nfs/dbraw/zinc/54/97/91/945549791.db2.gz KZJDNLMEACECTJ-MRXNPFEDSA-N 1 1 354.498 3.654 20 10 FHCDMO CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1O ZINC001271241562 945557608 /nfs/dbraw/zinc/55/76/08/945557608.db2.gz GBCDMSSHYKBJLX-YESZJQIVSA-N 1 1 360.498 3.603 20 10 FHCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2ncc(Cl)cn2)C1 ZINC000301492059 945813552 /nfs/dbraw/zinc/81/35/52/945813552.db2.gz OVAUMPQSWMJMIH-AWEZNQCLSA-N 1 1 353.253 3.566 20 10 FHCDMO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2cc(C)cc(OC)c2O)n1 ZINC000894541294 945966713 /nfs/dbraw/zinc/96/67/13/945966713.db2.gz ASXIHECMZBLNNR-ZDUSSCGKSA-N 1 1 369.421 3.619 20 10 FHCDMO CCc1ccc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000302834393 946343591 /nfs/dbraw/zinc/34/35/91/946343591.db2.gz UFGZPMVMKFCSCQ-FQEVSTJZSA-N 1 1 368.477 3.574 20 10 FHCDMO CCc1ccc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000302834393 946343602 /nfs/dbraw/zinc/34/36/02/946343602.db2.gz UFGZPMVMKFCSCQ-FQEVSTJZSA-N 1 1 368.477 3.574 20 10 FHCDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1)CC(F)(F)F ZINC000840915937 946758374 /nfs/dbraw/zinc/75/83/74/946758374.db2.gz DERBBPKVLDKEFU-INIZCTEOSA-N 1 1 357.464 3.767 20 10 FHCDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843770691 946907691 /nfs/dbraw/zinc/90/76/91/946907691.db2.gz WIXGBRIAOHALFW-KRWDZBQOSA-N 1 1 356.514 3.900 20 10 FHCDMO C[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000121300461 947326722 /nfs/dbraw/zinc/32/67/22/947326722.db2.gz IBUHBLCWVUUMHS-UHFFFAOYSA-N 1 1 362.477 3.545 20 10 FHCDMO COc1c(O)c(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)ccc1[N+](=O)[O-] ZINC000278878643 947956978 /nfs/dbraw/zinc/95/69/78/947956978.db2.gz NWYSMRWWFFRNPX-CYBMUJFWSA-N 1 1 364.785 3.576 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc([C@@H]3C[C@H]3C)no2)C1 ZINC000520655976 948511003 /nfs/dbraw/zinc/51/10/03/948511003.db2.gz CWDVEVQIUUSHCQ-GDBMZVCRSA-N 1 1 350.466 3.963 20 10 FHCDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000359971060 534776209 /nfs/dbraw/zinc/77/62/09/534776209.db2.gz AYDVJGWVRWJYFN-YADHBBJMSA-N 1 1 355.526 3.652 20 10 FHCDMO CC[N@@H+](Cc1cc(Cl)ccc1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428356 608549920 /nfs/dbraw/zinc/54/99/20/608549920.db2.gz KMPJGZSMYRRMAG-GFCCVEGCSA-N 1 1 357.845 3.809 20 10 FHCDMO Oc1cccc(Cl)c1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511068 608859615 /nfs/dbraw/zinc/85/96/15/608859615.db2.gz APEAXLRASXYBIX-UHFFFAOYSA-N 1 1 367.840 3.515 20 10 FHCDMO COc1cccc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)c1O ZINC000161484470 936357706 /nfs/dbraw/zinc/35/77/06/936357706.db2.gz HXQKAHODRNGWLW-UHFFFAOYSA-N 1 1 360.429 3.779 20 10 FHCDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160190423 927162941 /nfs/dbraw/zinc/16/29/41/927162941.db2.gz QKQDLSGVHHNOJE-INIZCTEOSA-N 1 1 358.526 3.645 20 10 FHCDMO CCOc1ccc(O)c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000160199653 927229831 /nfs/dbraw/zinc/22/98/31/927229831.db2.gz LIKVQEOZRBPCKR-LJQANCHMSA-N 1 1 357.450 3.678 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCCO1 ZINC000160208922 927286546 /nfs/dbraw/zinc/28/65/46/927286546.db2.gz MTIJJFATQXRUNF-FQEVSTJZSA-N 1 1 363.461 3.964 20 10 FHCDMO COc1c(O)c(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278108187 937189776 /nfs/dbraw/zinc/18/97/76/937189776.db2.gz BCFAFWNQDLMLNP-WMLDXEAASA-N 1 1 372.421 3.567 20 10 FHCDMO CN(C)c1ccc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1F ZINC000274794196 928381283 /nfs/dbraw/zinc/38/12/83/928381283.db2.gz NBTLJKYSZUYZCT-FQEVSTJZSA-N 1 1 356.420 3.644 20 10 FHCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1O ZINC000175837399 929858296 /nfs/dbraw/zinc/85/82/96/929858296.db2.gz OBAMPAAAYHASMR-RDJZCZTQSA-N 1 1 363.454 3.884 20 10 FHCDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000091957494 931293726 /nfs/dbraw/zinc/29/37/26/931293726.db2.gz MJVZMLXCHWVFAV-GOEBONIOSA-N 1 1 366.255 3.836 20 10 FHCDMO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCN(Cc3ccsc3)CC2)c1 ZINC000023856245 932260320 /nfs/dbraw/zinc/26/03/20/932260320.db2.gz SWJIABUMBPBJEH-UHFFFAOYSA-N 1 1 360.523 3.775 20 10 FHCDMO COC[C@@H]([NH2+]Cc1cccc(F)c1O)c1cccc(Br)c1 ZINC001207225573 932976802 /nfs/dbraw/zinc/97/68/02/932976802.db2.gz MWQQMIGLWRMKPO-OAHLLOKOSA-N 1 1 354.219 3.771 20 10 FHCDMO COC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(C)o1 ZINC000156522932 933095948 /nfs/dbraw/zinc/09/59/48/933095948.db2.gz DLFIHPTXDMWCDG-QAPCUYQASA-N 1 1 362.445 3.602 20 10 FHCDMO COC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(C)o1 ZINC000156522817 933096172 /nfs/dbraw/zinc/09/61/72/933096172.db2.gz DLFIHPTXDMWCDG-CRAIPNDOSA-N 1 1 362.445 3.602 20 10 FHCDMO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000176118036 933674296 /nfs/dbraw/zinc/67/42/96/933674296.db2.gz DRVSFOLMWGQAJN-RUZDIDTESA-N 1 1 361.507 3.765 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)C(C)C)C1 ZINC000520951526 934037607 /nfs/dbraw/zinc/03/76/07/934037607.db2.gz CFXNRNSFFMYKKP-UHFFFAOYSA-N 1 1 355.526 3.959 20 10 FHCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000157060841 935017400 /nfs/dbraw/zinc/01/74/00/935017400.db2.gz RPFPJTZSRHYPEQ-OAHLLOKOSA-N 1 1 369.465 3.590 20 10 FHCDMO C[NH2+]C1CCC([N@@H+](C)Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708110402 936051046 /nfs/dbraw/zinc/05/10/46/936051046.db2.gz CAHSTRUDWBQPDP-UHFFFAOYSA-N 1 1 361.711 3.771 20 10 FHCDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(C)cc(C(C)(C)C)c2O)cc1 ZINC000052584042 938408233 /nfs/dbraw/zinc/40/82/33/938408233.db2.gz REDYDBZWPUIJKO-UHFFFAOYSA-N 1 1 354.494 3.990 20 10 FHCDMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(F)cc1F ZINC000278496187 938481121 /nfs/dbraw/zinc/48/11/21/938481121.db2.gz MNACOVDAJWTTTQ-AWEZNQCLSA-N 1 1 352.337 3.828 20 10 FHCDMO COc1c(O)c(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278634189 938603720 /nfs/dbraw/zinc/60/37/20/938603720.db2.gz HDWRQEVRVCBCLB-UHFFFAOYSA-N 1 1 374.290 3.757 20 10 FHCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccc(Br)s2)cc1OC ZINC000179476037 939172537 /nfs/dbraw/zinc/17/25/37/939172537.db2.gz HEAWQZLHDVSSEM-UHFFFAOYSA-N 1 1 372.284 3.865 20 10 FHCDMO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000311770329 941380256 /nfs/dbraw/zinc/38/02/56/941380256.db2.gz JHBZHWQMOQIKLA-HTAPYJJXSA-N 1 1 354.494 3.964 20 10 FHCDMO CC[C@H](c1ccccc1O)[N@H+]1CCCN(Cc2nccn2C(C)C)CC1 ZINC000377693521 941907682 /nfs/dbraw/zinc/90/76/82/941907682.db2.gz GULAYPATZWQBNJ-LJQANCHMSA-N 1 1 356.514 3.829 20 10 FHCDMO CCOc1cccc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c1O ZINC000311969618 941916701 /nfs/dbraw/zinc/91/67/01/941916701.db2.gz KSBJVQQCQABAEK-JOCHJYFZSA-N 1 1 354.494 3.793 20 10 FHCDMO C[N@@H+](Cc1cc(Br)ccc1O)Cc1ccccc1[N+](=O)[O-] ZINC000179314798 942210962 /nfs/dbraw/zinc/21/09/62/942210962.db2.gz ZHKXVFHLUIIMOG-UHFFFAOYSA-N 1 1 351.200 3.695 20 10 FHCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccccc3O)cc2F)CC1 ZINC000183502423 942881608 /nfs/dbraw/zinc/88/16/08/942881608.db2.gz XGFDHBRLQIAHSO-MRXNPFEDSA-N 1 1 357.473 3.524 20 10 FHCDMO Cc1ccc([C@@H](C)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c(O)c1C ZINC000273350629 942938200 /nfs/dbraw/zinc/93/82/00/942938200.db2.gz BPBDQHVQWZAGGF-OXQOHEQNSA-N 1 1 367.493 3.632 20 10 FHCDMO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O ZINC000185394451 943159968 /nfs/dbraw/zinc/15/99/68/943159968.db2.gz SUAYALISDXSBGO-UONOGXRCSA-N 1 1 352.450 3.829 20 10 FHCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000272979028 943254133 /nfs/dbraw/zinc/25/41/33/943254133.db2.gz QECJKUKUMNRUKL-BUBHHJDNSA-N 1 1 365.882 3.836 20 10 FHCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2nc(C(C)(C)C)cs2)c1 ZINC000756547428 943950871 /nfs/dbraw/zinc/95/08/71/943950871.db2.gz CSACLPYQTVNGRD-LBPRGKRZSA-N 1 1 362.495 3.826 20 10 FHCDMO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(Br)c(F)cc1O ZINC000756606155 944632376 /nfs/dbraw/zinc/63/23/76/944632376.db2.gz VYBGXSVPFIOVCG-BJOHPYRUSA-N 1 1 374.275 3.914 20 10 FHCDMO Cc1cc(CC(=O)Nc2c[nH+]ccc2-n2cccn2)c(C)n1-c1ccccc1 ZINC001125990880 945493130 /nfs/dbraw/zinc/49/31/30/945493130.db2.gz SNVOSFCDCSBOQL-UHFFFAOYSA-N 1 1 371.444 3.856 20 10 FHCDMO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cc(C)cc(OC)c3O)n2)c1 ZINC000894543175 945970947 /nfs/dbraw/zinc/97/09/47/945970947.db2.gz NVTDCKAPMOCLAT-ZDUSSCGKSA-N 1 1 369.421 3.619 20 10 FHCDMO CCc1cc(C[NH+]2CCC(CN3CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000108927566 946158702 /nfs/dbraw/zinc/15/87/02/946158702.db2.gz UOKKXNLXCUBFAT-UHFFFAOYSA-N 1 1 374.569 3.796 20 10 FHCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278847117 946417385 /nfs/dbraw/zinc/41/73/85/946417385.db2.gz KTDMQENDEPCQCI-LPHOPBHVSA-N 1 1 372.421 3.567 20 10 FHCDMO COc1ccccc1/C=C/C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121310711 946518784 /nfs/dbraw/zinc/51/87/84/946518784.db2.gz CRCKIEOCUYHWKG-FNORWQNLSA-N 1 1 352.478 3.677 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc([C@H]3C[C@@H]3C)no2)C1 ZINC000520655984 948511441 /nfs/dbraw/zinc/51/14/41/948511441.db2.gz CWDVEVQIUUSHCQ-HOCLYGCPSA-N 1 1 350.466 3.963 20 10 FHCDMO Cc1[nH+]ccn1CCCNC(=O)Nc1c(C)cc(Br)cc1C ZINC000047550424 205148272 /nfs/dbraw/zinc/14/82/72/205148272.db2.gz ZCVYJPJODWCLRK-UHFFFAOYSA-N 1 1 365.275 3.783 20 10 FHCDMO CC[N@@H+](Cc1c(O)cccc1Cl)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825429182 608550261 /nfs/dbraw/zinc/55/02/61/608550261.db2.gz XZHYQWQAKUZQRZ-GFCCVEGCSA-N 1 1 357.845 3.809 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)C1CCCC1 ZINC000826511259 608695327 /nfs/dbraw/zinc/69/53/27/608695327.db2.gz IOATVSFGPKQXCW-UHFFFAOYSA-N 1 1 355.467 3.579 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCCO1 ZINC000160177606 927103980 /nfs/dbraw/zinc/10/39/80/927103980.db2.gz ZPBFOKQLLDHKHC-FQEVSTJZSA-N 1 1 363.461 3.964 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCCO1 ZINC000160177785 927104380 /nfs/dbraw/zinc/10/43/80/927104380.db2.gz ZPBFOKQLLDHKHC-HXUWFJFHSA-N 1 1 363.461 3.964 20 10 FHCDMO COCCOc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000160200681 927224280 /nfs/dbraw/zinc/22/42/80/927224280.db2.gz GRWTUFVDSUWQJC-NRFANRHFSA-N 1 1 371.477 3.599 20 10 FHCDMO CC[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cc(Br)ccc1O ZINC000274915379 929033858 /nfs/dbraw/zinc/03/38/58/929033858.db2.gz OACWHYOJEKLLKL-UONOGXRCSA-N 1 1 350.260 3.996 20 10 FHCDMO COc1cc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c(O)cc1C ZINC000160322128 929786901 /nfs/dbraw/zinc/78/69/01/929786901.db2.gz ULHYUXSUZBOWCC-LJQANCHMSA-N 1 1 354.494 3.663 20 10 FHCDMO COc1cc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c(O)cc1C ZINC000160322128 929786905 /nfs/dbraw/zinc/78/69/05/929786905.db2.gz ULHYUXSUZBOWCC-LJQANCHMSA-N 1 1 354.494 3.663 20 10 FHCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1OC ZINC000160476570 930582695 /nfs/dbraw/zinc/58/26/95/930582695.db2.gz KMJGTTQFUWAGGF-CQSZACIVSA-N 1 1 363.841 3.716 20 10 FHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000471604156 930961173 /nfs/dbraw/zinc/96/11/73/930961173.db2.gz ISGGCXFXHXYFSS-KRWDZBQOSA-N 1 1 370.541 3.798 20 10 FHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000471612986 931040566 /nfs/dbraw/zinc/04/05/66/931040566.db2.gz VWMACMXIGSXDEJ-HOTGVXAUSA-N 1 1 356.514 3.549 20 10 FHCDMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(OCC)ccc1O ZINC000160899232 932058552 /nfs/dbraw/zinc/05/85/52/932058552.db2.gz WHWTWOVBCBIXHB-UHFFFAOYSA-N 1 1 372.465 3.650 20 10 FHCDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(O)c1OC ZINC000891577634 932784597 /nfs/dbraw/zinc/78/45/97/932784597.db2.gz DHXKILAWUIYTAO-OAHLLOKOSA-N 1 1 368.433 3.930 20 10 FHCDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cc(OC)ccc3O)n2)cc1 ZINC000276804364 933519872 /nfs/dbraw/zinc/51/98/72/933519872.db2.gz WGGIDZUGQQZYAM-CYBMUJFWSA-N 1 1 353.422 3.864 20 10 FHCDMO C[N@H+](Cc1c(O)ccc2cc(Br)ccc21)C[C@H]1CCOC1 ZINC000176103587 934123210 /nfs/dbraw/zinc/12/32/10/934123210.db2.gz DEFVKJWGYPUPPV-GFCCVEGCSA-N 1 1 350.256 3.776 20 10 FHCDMO CC(C)N1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000157755681 938424639 /nfs/dbraw/zinc/42/46/39/938424639.db2.gz WLAGSKLKGLAXBE-UHFFFAOYSA-N 1 1 367.484 3.719 20 10 FHCDMO CCOc1ccc(O)c(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000278442817 938431584 /nfs/dbraw/zinc/43/15/84/938431584.db2.gz WGWXCYLZCVSFHP-UHFFFAOYSA-N 1 1 352.228 3.549 20 10 FHCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1OC ZINC000158861301 938592867 /nfs/dbraw/zinc/59/28/67/938592867.db2.gz FFBUAXGDSADMHI-CQSZACIVSA-N 1 1 368.433 3.930 20 10 FHCDMO COc1c(O)c(C[NH2+]Cc2cccc(COC(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000278629514 938599052 /nfs/dbraw/zinc/59/90/52/938599052.db2.gz GRFGJQVSZLWDBQ-UHFFFAOYSA-N 1 1 374.437 3.914 20 10 FHCDMO CC(C)(C)OC(=O)N(CCC[NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000708517865 938693281 /nfs/dbraw/zinc/69/32/81/938693281.db2.gz WRYYTDRZRXFYJO-UHFFFAOYSA-N 1 1 356.413 3.550 20 10 FHCDMO O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179566001 939889796 /nfs/dbraw/zinc/88/97/96/939889796.db2.gz LYBWUDPMEBKUFU-UHFFFAOYSA-N 1 1 359.857 3.785 20 10 FHCDMO CCCN(Cc1ccccc1O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000066699661 941222253 /nfs/dbraw/zinc/22/22/53/941222253.db2.gz YZGGVCOSWCAYPP-GOSISDBHSA-N 1 1 361.530 3.826 20 10 FHCDMO COc1ccc(O)c(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1 ZINC000180649870 942400616 /nfs/dbraw/zinc/40/06/16/942400616.db2.gz RYMCZKQQMROYOO-HXUWFJFHSA-N 1 1 353.418 3.730 20 10 FHCDMO CCC[C@@H]([NH2+]Cc1ccc(N2CCN(CC)CC2)c(F)c1)c1cccnc1 ZINC000185393561 943159142 /nfs/dbraw/zinc/15/91/42/943159142.db2.gz XFHCMFVWIFTJGH-OAQYLSRUSA-N 1 1 370.516 3.994 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CCC2CC2)C1 ZINC000435919038 943856055 /nfs/dbraw/zinc/85/60/55/943856055.db2.gz VHEBOKQDXMRSJY-UHFFFAOYSA-N 1 1 353.510 3.666 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[C@H](C)C2)C1 ZINC000436016621 943956064 /nfs/dbraw/zinc/95/60/64/943956064.db2.gz SFPGOONDCBUWKR-DLBZAZTESA-N 1 1 353.510 3.713 20 10 FHCDMO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(Br)c(F)cc1O ZINC000756606156 944632184 /nfs/dbraw/zinc/63/21/84/944632184.db2.gz VYBGXSVPFIOVCG-PSLIRLAXSA-N 1 1 374.275 3.914 20 10 FHCDMO CCN(CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)CC(F)(F)F ZINC001167984716 945044014 /nfs/dbraw/zinc/04/40/14/945044014.db2.gz WKWZIOSNJPGVMM-KRWDZBQOSA-N 1 1 374.447 3.648 20 10 FHCDMO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1O ZINC000305754992 945449894 /nfs/dbraw/zinc/44/98/94/945449894.db2.gz GBOVCSQQDDWONR-ZFWWWQNUSA-N 1 1 352.450 3.972 20 10 FHCDMO C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000053814377 947368087 /nfs/dbraw/zinc/36/80/87/947368087.db2.gz GFOCTIQHYORBSG-MRXNPFEDSA-N 1 1 357.473 3.543 20 10 FHCDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000053814377 947368098 /nfs/dbraw/zinc/36/80/98/947368098.db2.gz GFOCTIQHYORBSG-MRXNPFEDSA-N 1 1 357.473 3.543 20 10 FHCDMO COc1c(O)c(C[NH2+]Cc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000278873934 947930015 /nfs/dbraw/zinc/93/00/15/947930015.db2.gz NHEIAAHRFUSXDX-UHFFFAOYSA-N 1 1 356.300 3.618 20 10 FHCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821220473 607355908 /nfs/dbraw/zinc/35/59/08/607355908.db2.gz ASPZDUAHIJYHCC-HNNXBMFYSA-N 1 1 350.470 3.516 20 10 FHCDMO C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(N2CCCCC2)cc1 ZINC000821611043 607387343 /nfs/dbraw/zinc/38/73/43/607387343.db2.gz OQBLYBRITFSHHJ-UHFFFAOYSA-N 1 1 368.510 3.551 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000823732359 606751779 /nfs/dbraw/zinc/75/17/79/606751779.db2.gz LOXUTYZHAZRFKK-UHFFFAOYSA-N 1 1 363.465 3.907 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CCCC1 ZINC000823733388 607067168 /nfs/dbraw/zinc/06/71/68/607067168.db2.gz WGUGNJQWHSNILN-UHFFFAOYSA-N 1 1 367.428 3.656 20 10 FHCDMO Cc1cccn2c(C[N@H+](Cc3ccccc3O)C[C@H]3CCCO3)cnc12 ZINC000160191750 927215919 /nfs/dbraw/zinc/21/59/19/927215919.db2.gz HFSKDKDGAWMEMX-LJQANCHMSA-N 1 1 351.450 3.530 20 10 FHCDMO COc1c(O)c(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278108189 937189783 /nfs/dbraw/zinc/18/97/83/937189783.db2.gz BCFAFWNQDLMLNP-YOEHRIQHSA-N 1 1 372.421 3.567 20 10 FHCDMO O=C(/C=C\c1ccc(Cl)nc1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000254956641 928490398 /nfs/dbraw/zinc/49/03/98/928490398.db2.gz ZIENXNNFLBLUCX-PXAMLJHWSA-N 1 1 353.853 3.759 20 10 FHCDMO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000125975434 937348022 /nfs/dbraw/zinc/34/80/22/937348022.db2.gz CAGICTGVUMIWHC-FOIQADDNSA-N 1 1 355.457 3.693 20 10 FHCDMO Cn1cc(C[N@@H+](C)Cc2cc3c(cc2O)CCCC3)c(C(F)(F)F)n1 ZINC000160466192 930542069 /nfs/dbraw/zinc/54/20/69/930542069.db2.gz SXSVHWOFXAXCSB-UHFFFAOYSA-N 1 1 353.388 3.655 20 10 FHCDMO CCc1cc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000161001474 932534634 /nfs/dbraw/zinc/53/46/34/932534634.db2.gz ORWOWIXTDLQOCT-UHFFFAOYSA-N 1 1 355.544 3.507 20 10 FHCDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2O)s1 ZINC000892102654 935001003 /nfs/dbraw/zinc/00/10/03/935001003.db2.gz FKEGAUZCVHQMRB-LBPRGKRZSA-N 1 1 350.484 3.930 20 10 FHCDMO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000121804025 935737116 /nfs/dbraw/zinc/73/71/16/935737116.db2.gz DEKLOUBTPUKZBU-UHFFFAOYSA-N 1 1 357.841 3.526 20 10 FHCDMO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756639006 945138830 /nfs/dbraw/zinc/13/88/30/945138830.db2.gz XWHHLENQYWUEQF-ZBEGNZNMSA-N 1 1 368.246 3.986 20 10 FHCDMO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NCc1ccnc(N)c1)N=[N+]=[N-] ZINC001167612340 936087896 /nfs/dbraw/zinc/08/78/96/936087896.db2.gz BAVIMMHWDKVPCW-DHDCSXOGSA-N 1 1 367.413 3.502 20 10 FHCDMO COc1c(O)c(C[N@@H+](C)[C@H](C)c2sc(C)nc2C)ccc1[N+](=O)[O-] ZINC000278294317 938289114 /nfs/dbraw/zinc/28/91/14/938289114.db2.gz VBUOILBJZKMIGW-SNVBAGLBSA-N 1 1 351.428 3.575 20 10 FHCDMO COc1ccc(N2CCC[N@@H+](Cc3nc4ccccc4nc3C)CC2)cc1 ZINC000052465298 938316318 /nfs/dbraw/zinc/31/63/18/938316318.db2.gz RYKVKCKNWFWOSI-UHFFFAOYSA-N 1 1 362.477 3.659 20 10 FHCDMO COc1c(O)c(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000278528265 938506423 /nfs/dbraw/zinc/50/64/23/938506423.db2.gz UMXNDRZGNJHGTC-AWEZNQCLSA-N 1 1 371.437 3.760 20 10 FHCDMO Cc1ccc(C)n1-c1ccc(-c2noc(-c3cnc(C[NH3+])s3)n2)cc1 ZINC001213184535 939949731 /nfs/dbraw/zinc/94/97/31/939949731.db2.gz TWDCPGZRWGWESE-UHFFFAOYSA-N 1 1 351.435 3.726 20 10 FHCDMO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1O ZINC000375836616 939958047 /nfs/dbraw/zinc/95/80/47/939958047.db2.gz DMSZDBJYJCDEBX-YSSFQJQWSA-N 1 1 357.473 3.878 20 10 FHCDMO CC[C@@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(F)cc1O ZINC000376061926 940257577 /nfs/dbraw/zinc/25/75/77/940257577.db2.gz MXCSHHIYFDHFPE-UNEWFSDZSA-N 1 1 361.417 3.753 20 10 FHCDMO COc1cc(O)c(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1OC ZINC000180521037 942378145 /nfs/dbraw/zinc/37/81/45/942378145.db2.gz ILDDRXFGCQBIQC-LJQANCHMSA-N 1 1 371.477 3.671 20 10 FHCDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000273378267 942944205 /nfs/dbraw/zinc/94/42/05/942944205.db2.gz HRECDCAEXSWLPE-ORAYPTAESA-N 1 1 355.413 3.714 20 10 FHCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273495924 942970556 /nfs/dbraw/zinc/97/05/56/942970556.db2.gz OJZDKKVNXWGSPM-SJLPKXTDSA-N 1 1 359.397 3.612 20 10 FHCDMO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1OC ZINC000271763645 943046937 /nfs/dbraw/zinc/04/69/37/943046937.db2.gz ZQAQBOKOSQCYDV-QGZVFWFLSA-N 1 1 367.449 3.633 20 10 FHCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1OC ZINC000271763645 943046947 /nfs/dbraw/zinc/04/69/47/943046947.db2.gz ZQAQBOKOSQCYDV-QGZVFWFLSA-N 1 1 367.449 3.633 20 10 FHCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)c1O ZINC000271777715 943049498 /nfs/dbraw/zinc/04/94/98/943049498.db2.gz FKOQAACMHVYZDH-LLVKDONJSA-N 1 1 372.852 3.618 20 10 FHCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000272979030 943253817 /nfs/dbraw/zinc/25/38/17/943253817.db2.gz QECJKUKUMNRUKL-JNDILOIQSA-N 1 1 365.882 3.836 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC=CCC2)C1 ZINC000435533809 943471308 /nfs/dbraw/zinc/47/13/08/943471308.db2.gz XIONHGNENDMVGP-GOSISDBHSA-N 1 1 365.521 3.880 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C)[C@@H]2C)C1 ZINC000435805330 943781891 /nfs/dbraw/zinc/78/18/91/943781891.db2.gz AHVUQEPKNODIAU-SJORKVTESA-N 1 1 353.510 3.665 20 10 FHCDMO CCN1CCN(c2ccc(C[NH2+]Cc3ccc(C)c(OC)c3)cc2F)CC1 ZINC000194301343 944649076 /nfs/dbraw/zinc/64/90/76/944649076.db2.gz JUWUJLRSPOXJRH-UHFFFAOYSA-N 1 1 371.500 3.574 20 10 FHCDMO C[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000759895345 944777978 /nfs/dbraw/zinc/77/79/78/944777978.db2.gz RLIUFGXKNXKRCF-FQEVSTJZSA-N 1 1 352.438 3.887 20 10 FHCDMO COc1cc(C)cc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)c1O ZINC000894493516 945819899 /nfs/dbraw/zinc/81/98/99/945819899.db2.gz CHSCSGIUAPQTTE-LBPRGKRZSA-N 1 1 357.385 3.749 20 10 FHCDMO CCc1cc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000108927582 946158687 /nfs/dbraw/zinc/15/86/87/946158687.db2.gz SGUZKHOVKRJAPG-SFHVURJKSA-N 1 1 372.553 3.990 20 10 FHCDMO COc1ccc(N2CC[NH+](Cc3ccc(SC)s3)CC2)c(OC)c1 ZINC001142032282 946488436 /nfs/dbraw/zinc/48/84/36/946488436.db2.gz XDKGAABJOZLOQS-UHFFFAOYSA-N 1 1 364.536 3.809 20 10 FHCDMO Cc1nn(C)c(C[NH2+]Cc2c(C)c3ccccc3n2C)c1Br ZINC000475200159 946712162 /nfs/dbraw/zinc/71/21/62/946712162.db2.gz BODOWNIKHOMCPO-UHFFFAOYSA-N 1 1 361.287 3.581 20 10 FHCDMO COc1c(O)c(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] ZINC000278928091 948162177 /nfs/dbraw/zinc/16/21/77/948162177.db2.gz VTDVWCJOYNRDAU-ZDUSSCGKSA-N 1 1 360.410 3.947 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc([C@H]3C[C@H]3C)no2)C1 ZINC000520655985 948511211 /nfs/dbraw/zinc/51/12/11/948511211.db2.gz CWDVEVQIUUSHCQ-ZBFHGGJFSA-N 1 1 350.466 3.963 20 10 FHCDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000359971051 132375878 /nfs/dbraw/zinc/37/58/78/132375878.db2.gz AYDVJGWVRWJYFN-FCHUYYIVSA-N 1 1 355.526 3.652 20 10 FHCDMO O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000740095571 601093039 /nfs/dbraw/zinc/09/30/39/601093039.db2.gz BSMGYCYKFRSZGQ-INIZCTEOSA-N 1 1 368.477 3.551 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)C1CCCCC1 ZINC000826511178 608496454 /nfs/dbraw/zinc/49/64/54/608496454.db2.gz FTFPLAHKMNZMAE-UHFFFAOYSA-N 1 1 353.426 3.500 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)C1CCCCC1 ZINC000826511178 608496456 /nfs/dbraw/zinc/49/64/56/608496456.db2.gz FTFPLAHKMNZMAE-UHFFFAOYSA-N 1 1 353.426 3.500 20 10 FHCDMO CC[N@@H+](Cc1c(O)cccc1Cl)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825429183 608549998 /nfs/dbraw/zinc/54/99/98/608549998.db2.gz XZHYQWQAKUZQRZ-LBPRGKRZSA-N 1 1 357.845 3.809 20 10 FHCDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC000122065671 937135994 /nfs/dbraw/zinc/13/59/94/937135994.db2.gz IZSYMKFNYWZRPQ-AWEZNQCLSA-N 1 1 359.857 3.600 20 10 FHCDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000125975184 937348060 /nfs/dbraw/zinc/34/80/60/937348060.db2.gz CAGICTGVUMIWHC-MGPUTAFESA-N 1 1 355.457 3.693 20 10 FHCDMO CCc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976414 930459178 /nfs/dbraw/zinc/45/91/78/930459178.db2.gz SJIHHKCIZLQGSQ-IBGZPJMESA-N 1 1 368.477 3.574 20 10 FHCDMO CCc1ccccc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976414 930459181 /nfs/dbraw/zinc/45/91/81/930459181.db2.gz SJIHHKCIZLQGSQ-IBGZPJMESA-N 1 1 368.477 3.574 20 10 FHCDMO CCN(C)c1ccc([C@H](C)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090526025 930532281 /nfs/dbraw/zinc/53/22/81/930532281.db2.gz UCGZAYROWIULCB-WTOYTKOKSA-N 1 1 359.558 3.561 20 10 FHCDMO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000090526025 930532284 /nfs/dbraw/zinc/53/22/84/930532284.db2.gz UCGZAYROWIULCB-WTOYTKOKSA-N 1 1 359.558 3.561 20 10 FHCDMO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)oc1C ZINC000134263404 930818020 /nfs/dbraw/zinc/81/80/20/930818020.db2.gz OHTKYZJTGNWFPD-INIZCTEOSA-N 1 1 362.857 3.650 20 10 FHCDMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)oc1C ZINC000134263404 930818030 /nfs/dbraw/zinc/81/80/30/930818030.db2.gz OHTKYZJTGNWFPD-INIZCTEOSA-N 1 1 362.857 3.650 20 10 FHCDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2)C1 ZINC000588405960 931793885 /nfs/dbraw/zinc/79/38/85/931793885.db2.gz NKUCGIMDHVAUCM-UBAGTECSSA-N 1 1 366.461 3.982 20 10 FHCDMO O=C(C1CC1)N1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000276163485 931945771 /nfs/dbraw/zinc/94/57/71/931945771.db2.gz GELHQSRDDFNLIQ-UHFFFAOYSA-N 1 1 350.462 3.504 20 10 FHCDMO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)cn1 ZINC000834904556 932262367 /nfs/dbraw/zinc/26/23/67/932262367.db2.gz OLHSMSLMBSOUCP-ZJUUUORDSA-N 1 1 356.239 3.922 20 10 FHCDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cccc(OC)c3O)n2)cc1 ZINC000276740696 933117154 /nfs/dbraw/zinc/11/71/54/933117154.db2.gz IZUYOXMBPRQMCB-CYBMUJFWSA-N 1 1 353.422 3.864 20 10 FHCDMO C[N@@H+](Cc1ccc(Br)c(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000754859774 933121703 /nfs/dbraw/zinc/12/17/03/933121703.db2.gz YOWDYVHOOXGGTA-UHFFFAOYSA-N 1 1 368.202 3.655 20 10 FHCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c1 ZINC000092709028 934055136 /nfs/dbraw/zinc/05/51/36/934055136.db2.gz GOPVKQXAKAUPLX-MRXNPFEDSA-N 1 1 371.456 3.873 20 10 FHCDMO COc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c(O)c1OC ZINC000892101968 934999410 /nfs/dbraw/zinc/99/94/10/934999410.db2.gz PMJUCFZKNFKQOG-UGSOOPFHSA-N 1 1 361.413 3.511 20 10 FHCDMO COc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)c(O)c1OC ZINC000892101968 934999414 /nfs/dbraw/zinc/99/94/14/934999414.db2.gz PMJUCFZKNFKQOG-UGSOOPFHSA-N 1 1 361.413 3.511 20 10 FHCDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000053774026 945084531 /nfs/dbraw/zinc/08/45/31/945084531.db2.gz MVZKJXQQTRONLQ-INIZCTEOSA-N 1 1 355.438 3.877 20 10 FHCDMO COc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c(O)c1OC ZINC000892216293 935378356 /nfs/dbraw/zinc/37/83/56/935378356.db2.gz IBPYVGDSVNHOAZ-CABCVRRESA-N 1 1 363.479 3.559 20 10 FHCDMO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)c(C)n1-c1ccccn1 ZINC000152676749 935809562 /nfs/dbraw/zinc/80/95/62/935809562.db2.gz RUKCIERAQFUEAC-MRXNPFEDSA-N 1 1 366.509 3.578 20 10 FHCDMO C[N@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)CC1(CO)CC1 ZINC000588545009 936011932 /nfs/dbraw/zinc/01/19/32/936011932.db2.gz YKCSLIRVZCQYMJ-UHFFFAOYSA-N 1 1 352.438 3.745 20 10 FHCDMO C[N@@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)CC1(CO)CC1 ZINC000588545009 936011935 /nfs/dbraw/zinc/01/19/35/936011935.db2.gz YKCSLIRVZCQYMJ-UHFFFAOYSA-N 1 1 352.438 3.745 20 10 FHCDMO CCOc1cccc(C[NH2+]Cc2cccc(Br)c2O)c1O ZINC000278353467 938331532 /nfs/dbraw/zinc/33/15/32/938331532.db2.gz IUDDXAUJCGOFEL-UHFFFAOYSA-N 1 1 352.228 3.549 20 10 FHCDMO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1O ZINC000375836613 939957963 /nfs/dbraw/zinc/95/79/63/939957963.db2.gz DMSZDBJYJCDEBX-UIAACRFSSA-N 1 1 357.473 3.878 20 10 FHCDMO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccc(F)cc1O ZINC000310654265 940310110 /nfs/dbraw/zinc/31/01/10/940310110.db2.gz SUSFOHXCMROJMB-IPYPFGDCSA-N 1 1 352.450 3.970 20 10 FHCDMO Cc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H](C)S(C)(=O)=O)cc1 ZINC000894225815 941904638 /nfs/dbraw/zinc/90/46/38/941904638.db2.gz YWXRCFVYZOWIGI-IERDGZPVSA-N 1 1 373.518 3.584 20 10 FHCDMO COc1ccc(C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)cc1C ZINC000280592684 942210968 /nfs/dbraw/zinc/21/09/68/942210968.db2.gz BOILQCZNZYKCMC-JXFKEZNVSA-N 1 1 361.507 3.576 20 10 FHCDMO C[C@H](C(=O)NCc1cccs1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386863 942528190 /nfs/dbraw/zinc/52/81/90/942528190.db2.gz OZIWRIURDZWAPE-QGZVFWFLSA-N 1 1 371.550 3.875 20 10 FHCDMO Cc1nc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)sc1C ZINC000893224443 942710370 /nfs/dbraw/zinc/71/03/70/942710370.db2.gz DOKDTRONOPVCDL-UHFFFAOYSA-N 1 1 370.566 3.582 20 10 FHCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273495917 942970776 /nfs/dbraw/zinc/97/07/76/942970776.db2.gz OJZDKKVNXWGSPM-AEFFLSMTSA-N 1 1 359.397 3.612 20 10 FHCDMO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(Br)cc1O ZINC000273511712 942975358 /nfs/dbraw/zinc/97/53/58/942975358.db2.gz RVQSEKOZLPXGRM-LKFCYVNXSA-N 1 1 372.209 3.817 20 10 FHCDMO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc(Br)ccc1O ZINC000273546519 942982835 /nfs/dbraw/zinc/98/28/35/942982835.db2.gz ZKGIMWFCZOEOGS-OTYXRUKQSA-N 1 1 372.209 3.817 20 10 FHCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000273760116 943031906 /nfs/dbraw/zinc/03/19/06/943031906.db2.gz OUIWHSQXPVXFFB-LBPRGKRZSA-N 1 1 363.845 3.694 20 10 FHCDMO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)CC1CCC(F)(F)CC1 ZINC001167741186 943321496 /nfs/dbraw/zinc/32/14/96/943321496.db2.gz QDZGRZASTCCCPD-UHFFFAOYSA-N 1 1 361.816 3.846 20 10 FHCDMO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)CC1CCC(F)(F)CC1 ZINC001167741186 943321500 /nfs/dbraw/zinc/32/15/00/943321500.db2.gz QDZGRZASTCCCPD-UHFFFAOYSA-N 1 1 361.816 3.846 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCCCC2)C1 ZINC000435668343 943549531 /nfs/dbraw/zinc/54/95/31/943549531.db2.gz XPYUUPMEWFOVRG-UHFFFAOYSA-N 1 1 353.510 3.810 20 10 FHCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000781907730 944120284 /nfs/dbraw/zinc/12/02/84/944120284.db2.gz IMGNTKSANSCBHY-CQSZACIVSA-N 1 1 354.288 3.712 20 10 FHCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000781907730 944120289 /nfs/dbraw/zinc/12/02/89/944120289.db2.gz IMGNTKSANSCBHY-CQSZACIVSA-N 1 1 354.288 3.712 20 10 FHCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000781907730 944120301 /nfs/dbraw/zinc/12/03/01/944120301.db2.gz IMGNTKSANSCBHY-CQSZACIVSA-N 1 1 354.288 3.712 20 10 FHCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)c1 ZINC000756614390 944729950 /nfs/dbraw/zinc/72/99/50/944729950.db2.gz SQPVTKNSUPSFEX-KPZWWZAWSA-N 1 1 363.841 3.871 20 10 FHCDMO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc2c(cc1O)CCCC2 ZINC000248481617 945944945 /nfs/dbraw/zinc/94/49/45/945944945.db2.gz BIPLTJNXNFQIDE-KNXBSLHKSA-N 1 1 372.553 3.690 20 10 FHCDMO CC1=CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC000444327647 946563236 /nfs/dbraw/zinc/56/32/36/946563236.db2.gz GCSCHMAPULBAJY-UHFFFAOYSA-N 1 1 351.494 3.586 20 10 FHCDMO c1ccc(N[C@@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000093704341 946967806 /nfs/dbraw/zinc/96/78/06/946967806.db2.gz BLHLSECHWOKEAM-OAQYLSRUSA-N 1 1 351.494 3.600 20 10 FHCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2ccnc(C3CC3)n2)C1 ZINC000301260940 947256534 /nfs/dbraw/zinc/25/65/34/947256534.db2.gz VDUUZNRFSNUSDA-INIZCTEOSA-N 1 1 358.873 3.790 20 10 FHCDMO O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000740095573 601093310 /nfs/dbraw/zinc/09/33/10/601093310.db2.gz BSMGYCYKFRSZGQ-MRXNPFEDSA-N 1 1 368.477 3.551 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CCCC1 ZINC000823733345 606973386 /nfs/dbraw/zinc/97/33/86/606973386.db2.gz USYAZAUVNSSFAR-UHFFFAOYSA-N 1 1 367.428 3.656 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1cccc2c1OCCCO2)C[C@H]1CCCO1 ZINC000160169093 927072496 /nfs/dbraw/zinc/07/24/96/927072496.db2.gz NXDHLJICIYVROL-LJQANCHMSA-N 1 1 369.461 3.735 20 10 FHCDMO CCOc1cccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1O ZINC000160184083 927154761 /nfs/dbraw/zinc/15/47/61/927154761.db2.gz ABPYVLQWSFTXEZ-GOSISDBHSA-N 1 1 357.450 3.678 20 10 FHCDMO CCOc1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1OC ZINC000160184366 927155277 /nfs/dbraw/zinc/15/52/77/927155277.db2.gz JVOPDIDBYMZDTJ-LJQANCHMSA-N 1 1 371.477 3.981 20 10 FHCDMO Cc1ccc2ncc(C[N@H+](Cc3ccccc3O)C[C@H]3CCCO3)n2c1 ZINC000160209707 927285840 /nfs/dbraw/zinc/28/58/40/927285840.db2.gz BJWJDHBLOZFKSL-LJQANCHMSA-N 1 1 351.450 3.530 20 10 FHCDMO CCCn1nc(C)c(C[NH2+]Cc2cccc(Br)c2O)c1C ZINC000278118218 937209848 /nfs/dbraw/zinc/20/98/48/937209848.db2.gz ASHWKNDYFHKNME-UHFFFAOYSA-N 1 1 352.276 3.668 20 10 FHCDMO COc1c(O)c(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000278168594 937293874 /nfs/dbraw/zinc/29/38/74/937293874.db2.gz FPNQOTCBVCQBQH-CQSZACIVSA-N 1 1 363.439 3.583 20 10 FHCDMO Cc1cscc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134260489 930817929 /nfs/dbraw/zinc/81/79/29/930817929.db2.gz VDTZIJSVSBSHIW-HNNXBMFYSA-N 1 1 364.898 3.810 20 10 FHCDMO Cc1c([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000160546716 930852669 /nfs/dbraw/zinc/85/26/69/930852669.db2.gz QZDWMLALNCFFPV-AWEZNQCLSA-N 1 1 353.445 3.632 20 10 FHCDMO CCS(=O)(=O)CCCCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000276491407 932483814 /nfs/dbraw/zinc/48/38/14/932483814.db2.gz QXPVRKYIWHTDCD-UHFFFAOYSA-N 1 1 354.560 3.568 20 10 FHCDMO Oc1c(Br)cccc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000101590494 932987883 /nfs/dbraw/zinc/98/78/83/932987883.db2.gz DVAIBPRURBHPOJ-CQSZACIVSA-N 1 1 356.647 3.631 20 10 FHCDMO CCN(CC)[C@H](C[NH2+]Cc1cccc(Br)c1O)c1ccco1 ZINC000101595885 932988435 /nfs/dbraw/zinc/98/84/35/932988435.db2.gz ZWIDUKNASXALAT-OAHLLOKOSA-N 1 1 367.287 3.920 20 10 FHCDMO COc1ccc(C[N@H+](C)Cc2ccc(SC)c(OC)c2)c(O)c1OC ZINC000891848944 933582554 /nfs/dbraw/zinc/58/25/54/933582554.db2.gz ACHQFRQOBRWQQH-UHFFFAOYSA-N 1 1 363.479 3.772 20 10 FHCDMO Oc1ccc(-c2csc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1O ZINC000072087689 935294914 /nfs/dbraw/zinc/29/49/14/935294914.db2.gz IMUIBWLSAVSVHH-IBGZPJMESA-N 1 1 368.458 3.795 20 10 FHCDMO Oc1ccc(-c2csc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1O ZINC000072087689 935294918 /nfs/dbraw/zinc/29/49/18/935294918.db2.gz IMUIBWLSAVSVHH-IBGZPJMESA-N 1 1 368.458 3.795 20 10 FHCDMO COc1ccc(N2CCC[N@@H+](C[C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000051473620 935344585 /nfs/dbraw/zinc/34/45/85/935344585.db2.gz IBYCRKSFWVJMMO-FQEVSTJZSA-N 1 1 360.885 3.594 20 10 FHCDMO COc1c(O)c(C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)ccc1[N+](=O)[O-] ZINC000278294314 938289038 /nfs/dbraw/zinc/28/90/38/938289038.db2.gz VBUOILBJZKMIGW-JTQLQIEISA-N 1 1 351.428 3.575 20 10 FHCDMO CC(=O)c1ccccc1OCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000176799484 938445680 /nfs/dbraw/zinc/44/56/80/938445680.db2.gz RKISJFUJAWNEMG-LJQANCHMSA-N 1 1 369.461 3.655 20 10 FHCDMO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C(C)(C)C1 ZINC000708517018 938693158 /nfs/dbraw/zinc/69/31/58/938693158.db2.gz MUSOLWOKESMODK-OAHLLOKOSA-N 1 1 370.440 3.796 20 10 FHCDMO COc1c(O)c(C[NH2+]Cc2cccc(-c3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000376472346 941065269 /nfs/dbraw/zinc/06/52/69/941065269.db2.gz OCBYDTPLLBNNDU-UHFFFAOYSA-N 1 1 365.389 3.661 20 10 FHCDMO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000729286617 941708042 /nfs/dbraw/zinc/70/80/42/941708042.db2.gz DGCXBJRNYMSGQJ-GOSISDBHSA-N 1 1 353.510 3.899 20 10 FHCDMO CCOC(=O)c1ncc(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)s1 ZINC000892947294 941760888 /nfs/dbraw/zinc/76/08/88/941760888.db2.gz BPYGHHRYHDDULG-UHFFFAOYSA-N 1 1 365.474 3.595 20 10 FHCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@@H]2c2ccc(CNC(C)=O)o2)c1 ZINC000377641812 941865173 /nfs/dbraw/zinc/86/51/73/941865173.db2.gz DRYTZXOTGAWBAD-SCLBCKFNSA-N 1 1 358.438 3.528 20 10 FHCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000377693516 941907568 /nfs/dbraw/zinc/90/75/68/941907568.db2.gz GSPOGRPMQYILRO-JKSUJKDBSA-N 1 1 365.437 3.911 20 10 FHCDMO C[C@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1ccc(F)cc1O ZINC000760015618 942073603 /nfs/dbraw/zinc/07/36/03/942073603.db2.gz DXYPBKZTTLQDJI-YJBOKZPZSA-N 1 1 360.498 3.800 20 10 FHCDMO COc1cc(O)c(C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)cc1OC ZINC000180521056 942377811 /nfs/dbraw/zinc/37/78/11/942377811.db2.gz ILDDRXFGCQBIQC-IBGZPJMESA-N 1 1 371.477 3.671 20 10 FHCDMO COc1cccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)c1O ZINC000364011054 943332175 /nfs/dbraw/zinc/33/21/75/943332175.db2.gz HOUUWYHXMGSRKQ-SFHVURJKSA-N 1 1 357.841 3.667 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccsc2)C1 ZINC000435543360 943478460 /nfs/dbraw/zinc/47/84/60/943478460.db2.gz VTGLCOQVTULFGY-UHFFFAOYSA-N 1 1 367.518 3.786 20 10 FHCDMO CCC1(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000435808793 943784390 /nfs/dbraw/zinc/78/43/90/943784390.db2.gz NPRNBDILZNDKCW-UHFFFAOYSA-N 1 1 353.510 3.714 20 10 FHCDMO CCC1(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CCC1 ZINC000435829458 943800338 /nfs/dbraw/zinc/80/03/38/943800338.db2.gz ZKDOTTKAOLKABF-UHFFFAOYSA-N 1 1 353.510 3.857 20 10 FHCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000781910855 944181742 /nfs/dbraw/zinc/18/17/42/944181742.db2.gz OLCHFQOHEXHUOS-UONOGXRCSA-N 1 1 354.288 3.712 20 10 FHCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000781910855 944181747 /nfs/dbraw/zinc/18/17/47/944181747.db2.gz OLCHFQOHEXHUOS-UONOGXRCSA-N 1 1 354.288 3.712 20 10 FHCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000781910855 944181749 /nfs/dbraw/zinc/18/17/49/944181749.db2.gz OLCHFQOHEXHUOS-UONOGXRCSA-N 1 1 354.288 3.712 20 10 FHCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)c1O ZINC000894591721 944305338 /nfs/dbraw/zinc/30/53/38/944305338.db2.gz FSURBJRFLAYJSD-HNNXBMFYSA-N 1 1 370.449 3.859 20 10 FHCDMO CCN(CC)c1ccc(C[N@H+]2CCCN(Cc3cscn3)CC2)cc1 ZINC000093016425 945450354 /nfs/dbraw/zinc/45/03/54/945450354.db2.gz JWQNZZPOWJRCAH-UHFFFAOYSA-N 1 1 358.555 3.697 20 10 FHCDMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2c(C)n[nH]c2C)c(O)c1OC ZINC000894486901 945780442 /nfs/dbraw/zinc/78/04/42/945780442.db2.gz YTAYPHNJYPXTBL-MRXNPFEDSA-N 1 1 359.470 3.867 20 10 FHCDMO COc1ccc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)c(O)c1OC ZINC000894491128 945801039 /nfs/dbraw/zinc/80/10/39/945801039.db2.gz VNYIWEBXNFWPBZ-UHFFFAOYSA-N 1 1 370.493 3.506 20 10 FHCDMO CC[C@H]1CCCN1C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444126871 945950167 /nfs/dbraw/zinc/95/01/67/945950167.db2.gz MNDMWNRTWGFDAK-KRWDZBQOSA-N 1 1 353.510 3.809 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H]3CCC[C@H]32)C1 ZINC000444279597 946164876 /nfs/dbraw/zinc/16/48/76/946164876.db2.gz GIUGJOKQASRJPS-FXAWDEMLSA-N 1 1 365.521 3.809 20 10 FHCDMO Cc1cc(N2CCC([N@H+](C)Cc3cccc(Cl)c3[O-])CC2)nc(C)[nH+]1 ZINC000367750903 946962976 /nfs/dbraw/zinc/96/29/76/946962976.db2.gz STRFXRPZVGKWNL-UHFFFAOYSA-N 1 1 360.889 3.553 20 10 FHCDMO Cc1cc(N2CCC([N@@H+](C)Cc3cccc(Cl)c3[O-])CC2)nc(C)[nH+]1 ZINC000367750903 946962984 /nfs/dbraw/zinc/96/29/84/946962984.db2.gz STRFXRPZVGKWNL-UHFFFAOYSA-N 1 1 360.889 3.553 20 10 FHCDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(N2CCOCC2)cc1 ZINC000121297196 947095122 /nfs/dbraw/zinc/09/51/22/947095122.db2.gz PMHBFYFUNZCKAI-GQCTYLIASA-N 1 1 367.449 3.577 20 10 FHCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2ccnc(C3CC3)n2)C1 ZINC000301260943 947256696 /nfs/dbraw/zinc/25/66/96/947256696.db2.gz VDUUZNRFSNUSDA-MRXNPFEDSA-N 1 1 358.873 3.790 20 10 FHCDMO CO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000165208558 947727934 /nfs/dbraw/zinc/72/79/34/947727934.db2.gz AKELBDWFKNENFD-HUUCEWRRSA-N 1 1 361.511 3.538 20 10 FHCDMO COc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC ZINC000160193582 948344137 /nfs/dbraw/zinc/34/41/37/948344137.db2.gz DRNBGXMJNTVBPA-SFHVURJKSA-N 1 1 357.450 3.591 20 10 FHCDMO Cc1cc(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000108858914 206040171 /nfs/dbraw/zinc/04/01/71/206040171.db2.gz QKKRHTLAXQDAMW-BBWFWOEESA-N 1 1 368.525 3.585 20 10 FHCDMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(F)c1O ZINC000375298171 930222006 /nfs/dbraw/zinc/22/20/06/930222006.db2.gz RZBBBYZMALPSMR-QDMKHBRRSA-N 1 1 350.434 3.551 20 10 FHCDMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1O ZINC000375298171 930222020 /nfs/dbraw/zinc/22/20/20/930222020.db2.gz RZBBBYZMALPSMR-QDMKHBRRSA-N 1 1 350.434 3.551 20 10 FHCDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cc(OCC)ccc1O ZINC000160741292 931528949 /nfs/dbraw/zinc/52/89/49/931528949.db2.gz ISSRCHVWYPJUPD-UHFFFAOYSA-N 1 1 356.466 3.950 20 10 FHCDMO CCOc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2SC)c1O ZINC000160883744 931967021 /nfs/dbraw/zinc/96/70/21/931967021.db2.gz TTYNEHJYRPYXKD-UHFFFAOYSA-N 1 1 360.479 3.583 20 10 FHCDMO CCOc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)c1O ZINC000160883744 931967028 /nfs/dbraw/zinc/96/70/28/931967028.db2.gz TTYNEHJYRPYXKD-UHFFFAOYSA-N 1 1 360.479 3.583 20 10 FHCDMO COCCOc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)o1 ZINC000891394853 932046153 /nfs/dbraw/zinc/04/61/53/932046153.db2.gz RGQZSPMPWRUYPC-UHFFFAOYSA-N 1 1 357.406 3.806 20 10 FHCDMO COCCOc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)o1 ZINC000891394853 932046164 /nfs/dbraw/zinc/04/61/64/932046164.db2.gz RGQZSPMPWRUYPC-UHFFFAOYSA-N 1 1 357.406 3.806 20 10 FHCDMO COc1ccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(O)c1OC ZINC000891517842 932685556 /nfs/dbraw/zinc/68/55/56/932685556.db2.gz YOZDEAFMVOXDDB-HNNXBMFYSA-N 1 1 363.479 3.652 20 10 FHCDMO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cc(OC)ccc3O)n2)cc1 ZINC000276804367 933520016 /nfs/dbraw/zinc/52/00/16/933520016.db2.gz WGGIDZUGQQZYAM-ZDUSSCGKSA-N 1 1 353.422 3.864 20 10 FHCDMO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000277019689 934455766 /nfs/dbraw/zinc/45/57/66/934455766.db2.gz WPOZHWATCJDLRF-QGZVFWFLSA-N 1 1 357.454 3.705 20 10 FHCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000277019689 934455769 /nfs/dbraw/zinc/45/57/69/934455769.db2.gz WPOZHWATCJDLRF-QGZVFWFLSA-N 1 1 357.454 3.705 20 10 FHCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000157060661 935017505 /nfs/dbraw/zinc/01/75/05/935017505.db2.gz RPFPJTZSRHYPEQ-HNNXBMFYSA-N 1 1 369.465 3.590 20 10 FHCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001167522172 935115606 /nfs/dbraw/zinc/11/56/06/935115606.db2.gz UHQNMAQQBCOMGQ-LJQANCHMSA-N 1 1 356.441 3.939 20 10 FHCDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@H]1O ZINC000588527803 935843158 /nfs/dbraw/zinc/84/31/58/935843158.db2.gz HBGINNTVWUMZGW-DNVCBOLYSA-N 1 1 352.438 3.743 20 10 FHCDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@H]1O ZINC000588527803 935843160 /nfs/dbraw/zinc/84/31/60/935843160.db2.gz HBGINNTVWUMZGW-DNVCBOLYSA-N 1 1 352.438 3.743 20 10 FHCDMO CCN1CC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H](C)C1 ZINC000157718859 938422045 /nfs/dbraw/zinc/42/20/45/938422045.db2.gz ZKPJVQURKQHXFX-BEFAXECRSA-N 1 1 367.484 3.577 20 10 FHCDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708535199 938806112 /nfs/dbraw/zinc/80/61/12/938806112.db2.gz JJUUSSGPEOKYKI-ZIAGYGMSSA-N 1 1 356.413 3.596 20 10 FHCDMO COc1cccc(C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1O ZINC000179754446 939931806 /nfs/dbraw/zinc/93/18/06/939931806.db2.gz POUPRRWMGOCQJG-RDJZCZTQSA-N 1 1 368.260 3.798 20 10 FHCDMO O=C(NCc1ccccc1)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000725842758 939985052 /nfs/dbraw/zinc/98/50/52/939985052.db2.gz MZJVEMPHZIMXJN-HSZRJFAPSA-N 1 1 372.468 3.769 20 10 FHCDMO COc1cc2c(cc1OC)C[N@@H+](Cc1c(O)ccc3ccncc31)CC2 ZINC000014254162 942922135 /nfs/dbraw/zinc/92/21/35/942922135.db2.gz XAGUVIHSVGPKLU-UHFFFAOYSA-N 1 1 350.418 3.516 20 10 FHCDMO Cc1ccc([C@H](C)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c(O)c1C ZINC000273350624 942938139 /nfs/dbraw/zinc/93/81/39/942938139.db2.gz BPBDQHVQWZAGGF-JXFKEZNVSA-N 1 1 367.493 3.632 20 10 FHCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000273413878 942951043 /nfs/dbraw/zinc/95/10/43/942951043.db2.gz QIGGHUFRRADPEO-OLZOCXBDSA-N 1 1 356.422 3.549 20 10 FHCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000273482536 942967832 /nfs/dbraw/zinc/96/78/32/942967832.db2.gz MKAKRLCMVSXVCI-FTRWYGJKSA-N 1 1 369.461 3.997 20 10 FHCDMO C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1O ZINC000756503336 943315168 /nfs/dbraw/zinc/31/51/68/943315168.db2.gz MUDWJYFKVCLGLG-HWPZZCPQSA-N 1 1 359.319 3.814 20 10 FHCDMO C[C@@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccc(N2CCOCC2)cc1 ZINC000364308750 944280831 /nfs/dbraw/zinc/28/08/31/944280831.db2.gz GMVJOSZJSIQLDB-FZKQIMNGSA-N 1 1 360.404 3.586 20 10 FHCDMO C[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc(N2CCOCC2)cc1 ZINC000364308752 944281309 /nfs/dbraw/zinc/28/13/09/944281309.db2.gz GMVJOSZJSIQLDB-UGSOOPFHSA-N 1 1 360.404 3.586 20 10 FHCDMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000729463577 944348885 /nfs/dbraw/zinc/34/88/85/944348885.db2.gz JACHDYOEYLMGEU-UHFFFAOYSA-N 1 1 371.477 3.961 20 10 FHCDMO COc1ccc(N2CCC([NH2+]CCCN(C)Cc3ccccc3)CC2)cc1 ZINC000162746002 944732884 /nfs/dbraw/zinc/73/28/84/944732884.db2.gz 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COc1ccccc1[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccco1 ZINC000151133169 934756997 /nfs/dbraw/zinc/75/69/97/934756997.db2.gz UWRYNHJMUGMQIE-HXUWFJFHSA-N 1 1 353.374 3.602 20 10 FHCDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000472222337 935587548 /nfs/dbraw/zinc/58/75/48/935587548.db2.gz LQLRFCZJGFFEQJ-QGZVFWFLSA-N 1 1 356.514 3.503 20 10 FHCDMO CC(C)N(C)c1ccc(C[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000278431928 938421134 /nfs/dbraw/zinc/42/11/34/938421134.db2.gz UCVJTHBJMRSEDT-UHFFFAOYSA-N 1 1 364.287 3.684 20 10 FHCDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157723772 938423517 /nfs/dbraw/zinc/42/35/17/938423517.db2.gz NTRZRVJGNMHNNM-ZRGWGRIASA-N 1 1 367.484 3.575 20 10 FHCDMO CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708516347 938693150 /nfs/dbraw/zinc/69/31/50/938693150.db2.gz HGUQTSJFYGGHCJ-CQSZACIVSA-N 1 1 358.429 3.844 20 10 FHCDMO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1ccc(F)cc1O ZINC000310654267 940306961 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CC[C@@H](c1ccccc1O)[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000377689580 941903950 /nfs/dbraw/zinc/90/39/50/941903950.db2.gz BKCKSSDFGXBBBX-NBHGPNQESA-N 1 1 356.514 3.592 20 10 FHCDMO C[C@@H](C(=O)NCc1ccccc1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571584 942245757 /nfs/dbraw/zinc/24/57/57/942245757.db2.gz HIENBTIAQBUZFX-IBGZPJMESA-N 1 1 365.521 3.814 20 10 FHCDMO Nc1ccc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312120458 942630144 /nfs/dbraw/zinc/63/01/44/942630144.db2.gz UURXXLIVVJYILU-GOSISDBHSA-N 1 1 352.482 3.693 20 10 FHCDMO CCOc1ccc(-c2noc(C[NH2+][C@H](C)c3cc(OC)ccc3O)n2)cc1 ZINC000182339323 942719122 /nfs/dbraw/zinc/71/91/22/942719122.db2.gz WGQLWMDEDDUIGG-CYBMUJFWSA-N 1 1 369.421 3.700 20 10 FHCDMO C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cc(Br)ccc1[O-] ZINC000756434157 942908556 /nfs/dbraw/zinc/90/85/56/942908556.db2.gz IRXWFCKLFYGNMD-UONOGXRCSA-N 1 1 355.320 3.927 20 10 FHCDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000186964454 943399880 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CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NC1(CO)CCCC1)N=[N+]=[N-] ZINC001167801662 947837264 /nfs/dbraw/zinc/83/72/64/947837264.db2.gz HKVYDUBLJBOISH-GDNBJRDFSA-N 1 1 359.430 3.630 20 10 FHCDMO O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000740097554 600428249 /nfs/dbraw/zinc/42/82/49/600428249.db2.gz LJUHHDHAMJDXBU-KRWDZBQOSA-N 1 1 368.477 3.694 20 10 FHCDMO COCCOc1ccccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160196374 927217668 /nfs/dbraw/zinc/21/76/68/927217668.db2.gz BDSULGINLOYHIW-FQEVSTJZSA-N 1 1 371.477 3.599 20 10 FHCDMO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248051922 937202409 /nfs/dbraw/zinc/20/24/09/937202409.db2.gz NVSRKFJRVCBHJE-FPOVZHCZSA-N 1 1 367.493 3.759 20 10 FHCDMO COC(=O)c1cc2ccccc2c(CN2CCC[N@H+](C(C)(C)C)CC2)c1O ZINC000748083023 928697575 /nfs/dbraw/zinc/69/75/75/928697575.db2.gz PQGKXAKMWYFAED-UHFFFAOYSA-N 1 1 370.493 3.638 20 10 FHCDMO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCCN(C(C)(C)C)CC2)c1O ZINC000748083023 928697579 /nfs/dbraw/zinc/69/75/79/928697579.db2.gz PQGKXAKMWYFAED-UHFFFAOYSA-N 1 1 370.493 3.638 20 10 FHCDMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCCN(C(C)(C)C)CC2)c1O ZINC000748083023 928697587 /nfs/dbraw/zinc/69/75/87/928697587.db2.gz PQGKXAKMWYFAED-UHFFFAOYSA-N 1 1 370.493 3.638 20 10 FHCDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000176680017 937361372 /nfs/dbraw/zinc/36/13/72/937361372.db2.gz CRUOHCHBPWGBEV-AWEZNQCLSA-N 1 1 366.383 3.634 20 10 FHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000471599612 930902137 /nfs/dbraw/zinc/90/21/37/930902137.db2.gz UQUDSYAPALSVNQ-KRWDZBQOSA-N 1 1 370.541 3.941 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1ccco1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891395277 932051857 /nfs/dbraw/zinc/05/18/57/932051857.db2.gz XEAFIMXCMSLCRX-ROUUACIJSA-N 1 1 361.413 3.621 20 10 FHCDMO CCc1nnc(C[NH2+][C@@H](CC)c2cc(Br)ccc2O)s1 ZINC000290277173 932586370 /nfs/dbraw/zinc/58/63/70/932586370.db2.gz WUBRQTQMFXUARQ-NSHDSACASA-N 1 1 356.289 3.810 20 10 FHCDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cc4c(cc3O)OCO4)n2)cc1 ZINC000276744748 933128582 /nfs/dbraw/zinc/12/85/82/933128582.db2.gz JRYNLSUHJLPWDW-GFCCVEGCSA-N 1 1 367.405 3.584 20 10 FHCDMO C[C@H](c1ccccc1)[N@@H+](CC(=O)N1CCCCC1)Cc1ccccc1O ZINC000176675846 935768167 /nfs/dbraw/zinc/76/81/67/935768167.db2.gz SBKUBWWOOSZVIO-GOSISDBHSA-N 1 1 352.478 3.968 20 10 FHCDMO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c(C)n1-c1ccccn1 ZINC000152676628 935809579 /nfs/dbraw/zinc/80/95/79/935809579.db2.gz RUKCIERAQFUEAC-INIZCTEOSA-N 1 1 366.509 3.578 20 10 FHCDMO C[C@H]1C[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@H]1O ZINC000588527804 935843088 /nfs/dbraw/zinc/84/30/88/935843088.db2.gz HBGINNTVWUMZGW-HNAYVOBHSA-N 1 1 352.438 3.743 20 10 FHCDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@H]1O ZINC000588527804 935843092 /nfs/dbraw/zinc/84/30/92/935843092.db2.gz HBGINNTVWUMZGW-HNAYVOBHSA-N 1 1 352.438 3.743 20 10 FHCDMO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)n2)cc1 ZINC000178711145 936298827 /nfs/dbraw/zinc/29/88/27/936298827.db2.gz UXWYWSDNLXVMPB-MRXNPFEDSA-N 1 1 350.466 3.798 20 10 FHCDMO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C)CC2)cc1 ZINC000052465933 938320049 /nfs/dbraw/zinc/32/00/49/938320049.db2.gz LAQJQQYCAOTKCL-SFHVURJKSA-N 1 1 367.493 3.543 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1cc(-c2ccco2)on1)C[C@@H]1CCCO1 ZINC000176799185 938442186 /nfs/dbraw/zinc/44/21/86/938442186.db2.gz XWYVWHRBNKKJDI-KRWDZBQOSA-N 1 1 354.406 3.821 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1cc(-c2ccco2)on1)C[C@@H]1CCCO1 ZINC000176799185 938442189 /nfs/dbraw/zinc/44/21/89/938442189.db2.gz XWYVWHRBNKKJDI-KRWDZBQOSA-N 1 1 354.406 3.821 20 10 FHCDMO CCN(C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1)CC(F)(F)F ZINC000177636513 940330842 /nfs/dbraw/zinc/33/08/42/940330842.db2.gz FMAYFSYSRBUNEC-AWEZNQCLSA-N 1 1 356.432 3.587 20 10 FHCDMO CC[N@@H+](CCc1csc(C)n1)Cc1cc(Br)ccc1O ZINC000124772434 945327331 /nfs/dbraw/zinc/32/73/31/945327331.db2.gz IMVRLZNRINWTBF-UHFFFAOYSA-N 1 1 355.301 3.984 20 10 FHCDMO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000311770333 941380381 /nfs/dbraw/zinc/38/03/81/941380381.db2.gz JHBZHWQMOQIKLA-JTSKRJEESA-N 1 1 354.494 3.964 20 10 FHCDMO CC[C@H](c1ccccc1O)[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000377640512 941864741 /nfs/dbraw/zinc/86/47/41/941864741.db2.gz BKJSAUPZHGITTB-OAQYLSRUSA-N 1 1 353.510 3.877 20 10 FHCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@H](N(C)Cc3ccccn3)CC2)c1 ZINC000377705663 941915882 /nfs/dbraw/zinc/91/58/82/941915882.db2.gz XSMCPAAADSBTFT-MJGOQNOKSA-N 1 1 369.509 3.843 20 10 FHCDMO CCOc1cccc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c1O ZINC000311969626 941918554 /nfs/dbraw/zinc/91/85/54/941918554.db2.gz KSBJVQQCQABAEK-QFIPXVFZSA-N 1 1 354.494 3.793 20 10 FHCDMO COc1ccc(O)c(C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000179787045 942284110 /nfs/dbraw/zinc/28/41/10/942284110.db2.gz YWZBMNYTCRBUAW-UHFFFAOYSA-N 1 1 351.450 3.856 20 10 FHCDMO COc1cc(Br)cc(C[N@H+]2CCCC3(CCOCC3)C2)c1O ZINC000378341566 942618298 /nfs/dbraw/zinc/61/82/98/942618298.db2.gz LJRLQPWVSJWVML-UHFFFAOYSA-N 1 1 370.287 3.556 20 10 FHCDMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000378438743 942772444 /nfs/dbraw/zinc/77/24/44/942772444.db2.gz KVWZZRFRBBBFKZ-OAHLLOKOSA-N 1 1 359.857 3.600 20 10 FHCDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(F)c3O)CC2)cc1F ZINC000272337473 943139249 /nfs/dbraw/zinc/13/92/49/943139249.db2.gz XVHSSJAEHBBYBX-UHFFFAOYSA-N 1 1 374.431 3.507 20 10 FHCDMO C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1O ZINC000185629710 943196837 /nfs/dbraw/zinc/19/68/37/943196837.db2.gz JYTHEAVBZVGBIW-MRXNPFEDSA-N 1 1 370.468 3.663 20 10 FHCDMO COC(=O)C[N@H+](CC[C@@H]1CCCC1(F)F)Cc1cc(Cl)ccc1O ZINC001167742399 943416183 /nfs/dbraw/zinc/41/61/83/943416183.db2.gz ZSAAAKPOGOGKLB-ZDUSSCGKSA-N 1 1 361.816 3.846 20 10 FHCDMO COC(=O)C[N@@H+](CC[C@@H]1CCCC1(F)F)Cc1cc(Cl)ccc1O ZINC001167742399 943416185 /nfs/dbraw/zinc/41/61/85/943416185.db2.gz ZSAAAKPOGOGKLB-ZDUSSCGKSA-N 1 1 361.816 3.846 20 10 FHCDMO CC(C)N(C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C1CC1 ZINC000435513692 943454023 /nfs/dbraw/zinc/45/40/23/943454023.db2.gz FIXRDYOJZSNAQE-UHFFFAOYSA-N 1 1 353.510 3.807 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@H]2C)C1 ZINC000435638933 943522439 /nfs/dbraw/zinc/52/24/39/943522439.db2.gz SASXGEGNBZJDCC-QGZVFWFLSA-N 1 1 353.510 3.809 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000435814492 943771382 /nfs/dbraw/zinc/77/13/82/943771382.db2.gz WCUKKCJRLWFBEA-HDICACEKSA-N 1 1 365.521 3.666 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccccn3)no2)C1 ZINC000584864527 943811292 /nfs/dbraw/zinc/81/12/92/943811292.db2.gz SUPXNVLXOQWGBO-UHFFFAOYSA-N 1 1 373.460 3.901 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCCC2CC2)C1 ZINC000517831120 944699102 /nfs/dbraw/zinc/69/91/02/944699102.db2.gz GHYYTRNBEYUJNR-UHFFFAOYSA-N 1 1 353.510 3.714 20 10 FHCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000303580835 946626580 /nfs/dbraw/zinc/62/65/80/946626580.db2.gz OVNNFHDTXRALKL-JOCHJYFZSA-N 1 1 355.526 3.533 20 10 FHCDMO COc1c(O)c(C[NH2+][C@H]2CCSc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC000278931164 948184904 /nfs/dbraw/zinc/18/49/04/948184904.db2.gz WFRLXZUOMDXWET-ZDUSSCGKSA-N 1 1 364.398 3.775 20 10 FHCDMO CC[N@@H+](Cc1cc(Cl)ccc1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428357 608549830 /nfs/dbraw/zinc/54/98/30/608549830.db2.gz KMPJGZSMYRRMAG-LBPRGKRZSA-N 1 1 357.845 3.809 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1cccc2c1OCCCO2)C[C@@H]1CCCO1 ZINC000160168944 927073599 /nfs/dbraw/zinc/07/35/99/927073599.db2.gz NXDHLJICIYVROL-IBGZPJMESA-N 1 1 369.461 3.735 20 10 FHCDMO Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000160178500 927105897 /nfs/dbraw/zinc/10/58/97/927105897.db2.gz DZSMDJOGUFOXMS-SFHVURJKSA-N 1 1 356.422 3.790 20 10 FHCDMO CC[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(OC)cc1)c1ccccc1O ZINC000155047536 937281380 /nfs/dbraw/zinc/28/13/80/937281380.db2.gz ZKJMCONZUQCJKC-UYAOXDASSA-N 1 1 351.450 3.965 20 10 FHCDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC001167330253 929927065 /nfs/dbraw/zinc/92/70/65/929927065.db2.gz ZJMKRRUJVNOARO-MSOLQXFVSA-N 1 1 356.432 3.873 20 10 FHCDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588407426 931917049 /nfs/dbraw/zinc/91/70/49/931917049.db2.gz FKNQCDSXIDPIEK-QLBOMPFWSA-N 1 1 372.509 3.614 20 10 FHCDMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000160883890 931967126 /nfs/dbraw/zinc/96/71/26/931967126.db2.gz BCUHUULABFELDQ-UHFFFAOYSA-N 1 1 350.871 3.838 20 10 FHCDMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000160883890 931967131 /nfs/dbraw/zinc/96/71/31/931967131.db2.gz BCUHUULABFELDQ-UHFFFAOYSA-N 1 1 350.871 3.838 20 10 FHCDMO C[C@H](O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588411498 932040976 /nfs/dbraw/zinc/04/09/76/932040976.db2.gz RQPXEWCIDQLPDR-JKSUJKDBSA-N 1 1 352.438 3.743 20 10 FHCDMO C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588411498 932040983 /nfs/dbraw/zinc/04/09/83/932040983.db2.gz RQPXEWCIDQLPDR-JKSUJKDBSA-N 1 1 352.438 3.743 20 10 FHCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)c1O ZINC000834884432 932188053 /nfs/dbraw/zinc/18/80/53/932188053.db2.gz ZGPXKDQUFGBAIW-SECBINFHSA-N 1 1 358.667 3.701 20 10 FHCDMO CC[C@@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(F)cc1O ZINC000796677112 932401613 /nfs/dbraw/zinc/40/16/13/932401613.db2.gz UUJRESHNQMRONQ-WOJBJXKFSA-N 1 1 358.457 3.646 20 10 FHCDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000472222323 935586701 /nfs/dbraw/zinc/58/67/01/935586701.db2.gz LQLRFCZJGFFEQJ-KRWDZBQOSA-N 1 1 356.514 3.503 20 10 FHCDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)C[C@H]1C ZINC000472228387 935771973 /nfs/dbraw/zinc/77/19/73/935771973.db2.gz DNLJGFHUGPTNKI-WBVHZDCISA-N 1 1 356.514 3.501 20 10 FHCDMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C)CC2)cc1 ZINC000052465931 938319965 /nfs/dbraw/zinc/31/99/65/938319965.db2.gz LAQJQQYCAOTKCL-GOSISDBHSA-N 1 1 367.493 3.543 20 10 FHCDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(N2CCOCC2)cc1 ZINC000255725921 939143188 /nfs/dbraw/zinc/14/31/88/939143188.db2.gz PMHBFYFUNZCKAI-XQRVVYSFSA-N 1 1 367.449 3.577 20 10 FHCDMO CN(C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(=O)OC(C)(C)C ZINC000179450004 939164541 /nfs/dbraw/zinc/16/45/41/939164541.db2.gz ZARIXTBGWUOGHK-ZDUSSCGKSA-N 1 1 354.878 3.734 20 10 FHCDMO CCN(C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1)CC(F)(F)F ZINC000177636526 940330809 /nfs/dbraw/zinc/33/08/09/940330809.db2.gz FMAYFSYSRBUNEC-CQSZACIVSA-N 1 1 356.432 3.587 20 10 FHCDMO C[N@@H+](CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1O ZINC000782950258 941327773 /nfs/dbraw/zinc/32/77/73/941327773.db2.gz SZGZFLKFAQNOAZ-UHFFFAOYSA-N 1 1 366.461 3.681 20 10 FHCDMO C[C@@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc(N2CCOCC2)cc1 ZINC000892731751 941489125 /nfs/dbraw/zinc/48/91/25/941489125.db2.gz XNYIFEDQNRCGFU-GFCCVEGCSA-N 1 1 371.428 3.849 20 10 FHCDMO CC[C@H](c1ccccc1O)[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000377689579 941904127 /nfs/dbraw/zinc/90/41/27/941904127.db2.gz BKCKSSDFGXBBBX-LDQXTDLNSA-N 1 1 356.514 3.592 20 10 FHCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@@H](N(C)Cc3ccccn3)CC2)c1 ZINC000377705667 941915865 /nfs/dbraw/zinc/91/58/65/941915865.db2.gz XSMCPAAADSBTFT-PKOBYXMFSA-N 1 1 369.509 3.843 20 10 FHCDMO CCc1ccc(-c2noc(C[NH2+][C@@H](C)c3cc(OC)ccc3O)n2)cc1 ZINC000182359928 942723922 /nfs/dbraw/zinc/72/39/22/942723922.db2.gz JUNHSBGCYVMRPU-ZDUSSCGKSA-N 1 1 353.422 3.864 20 10 FHCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000273378263 942944504 /nfs/dbraw/zinc/94/45/04/942944504.db2.gz HRECDCAEXSWLPE-BFUOFWGJSA-N 1 1 355.413 3.714 20 10 FHCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1O ZINC000271777716 943049235 /nfs/dbraw/zinc/04/92/35/943049235.db2.gz FKOQAACMHVYZDH-NSHDSACASA-N 1 1 372.852 3.618 20 10 FHCDMO C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1O ZINC000185629693 943197091 /nfs/dbraw/zinc/19/70/91/943197091.db2.gz JYTHEAVBZVGBIW-INIZCTEOSA-N 1 1 370.468 3.663 20 10 FHCDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC000802660648 943259277 /nfs/dbraw/zinc/25/92/77/943259277.db2.gz RZEPYYSYBSCLET-FQEVSTJZSA-N 1 1 364.461 3.754 20 10 FHCDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc(F)c3O)C2)C1 ZINC000802660648 943259284 /nfs/dbraw/zinc/25/92/84/943259284.db2.gz RZEPYYSYBSCLET-FQEVSTJZSA-N 1 1 364.461 3.754 20 10 FHCDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cccc(F)c3O)C2)C1 ZINC000802660648 943259293 /nfs/dbraw/zinc/25/92/93/943259293.db2.gz RZEPYYSYBSCLET-FQEVSTJZSA-N 1 1 364.461 3.754 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C2CC2)C2CC2)C1 ZINC000435526961 943466598 /nfs/dbraw/zinc/46/65/98/943466598.db2.gz KAGGBQKHDLMSDH-UHFFFAOYSA-N 1 1 365.521 3.713 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(C)CCCC2)C1 ZINC000435875472 943829162 /nfs/dbraw/zinc/82/91/62/943829162.db2.gz CZCMDNBGSWBKNG-UHFFFAOYSA-N 1 1 353.510 3.857 20 10 FHCDMO Cc1noc([C@H]2CCC[N@H+](Cc3cc(C)cc(Br)c3O)C2)n1 ZINC000781897131 943898437 /nfs/dbraw/zinc/89/84/37/943898437.db2.gz OPVOBIVBSBBRHH-LBPRGKRZSA-N 1 1 366.259 3.534 20 10 FHCDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(C)cc(Br)c3O)C2)n1 ZINC000781897131 943898442 /nfs/dbraw/zinc/89/84/42/943898442.db2.gz OPVOBIVBSBBRHH-LBPRGKRZSA-N 1 1 366.259 3.534 20 10 FHCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1O ZINC000162537325 944007563 /nfs/dbraw/zinc/00/75/63/944007563.db2.gz BRACAKMXRBLUAR-KRWDZBQOSA-N 1 1 355.434 3.899 20 10 FHCDMO CCN(CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)CC(F)(F)F ZINC001167984717 945043588 /nfs/dbraw/zinc/04/35/88/945043588.db2.gz WKWZIOSNJPGVMM-QGZVFWFLSA-N 1 1 374.447 3.648 20 10 FHCDMO [O-]c1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167970549 945778943 /nfs/dbraw/zinc/77/89/43/945778943.db2.gz MRFGFJDKPKUGLE-ALOPSCKCSA-N 1 1 365.315 3.650 20 10 FHCDMO [O-]c1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167970549 945778949 /nfs/dbraw/zinc/77/89/49/945778949.db2.gz MRFGFJDKPKUGLE-ALOPSCKCSA-N 1 1 365.315 3.650 20 10 FHCDMO C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1O ZINC000840882929 946438823 /nfs/dbraw/zinc/43/88/23/946438823.db2.gz WNOGCZRJKWRXMA-AAEUAGOBSA-N 1 1 357.347 3.977 20 10 FHCDMO C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)ccc1[O-] ZINC000840884329 946455767 /nfs/dbraw/zinc/45/57/67/946455767.db2.gz KAZLZAPMAJHAIC-MRXNPFEDSA-N 1 1 374.912 3.723 20 10 FHCDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1O ZINC000824293189 608531310 /nfs/dbraw/zinc/53/13/10/608531310.db2.gz HOTOXIPQGLSQBX-UHFFFAOYSA-N 1 1 357.845 3.636 20 10 FHCDMO CCOc1cccc(C[N@@H+](CC)[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1O ZINC000825649669 608551528 /nfs/dbraw/zinc/55/15/28/608551528.db2.gz UTZXZEUMNCQDAR-CQSZACIVSA-N 1 1 367.453 3.554 20 10 FHCDMO Oc1ccc(Cl)cc1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511293 608858987 /nfs/dbraw/zinc/85/89/87/608858987.db2.gz JRSUKUFCSHKTPE-UHFFFAOYSA-N 1 1 367.840 3.515 20 10 FHCDMO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160170802 927072863 /nfs/dbraw/zinc/07/28/63/927072863.db2.gz BPTGOQKCTPOLBH-OAHLLOKOSA-N 1 1 363.889 3.523 20 10 FHCDMO CCc1nn(C)c(Cl)c1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160170802 927072876 /nfs/dbraw/zinc/07/28/76/927072876.db2.gz BPTGOQKCTPOLBH-OAHLLOKOSA-N 1 1 363.889 3.523 20 10 FHCDMO COc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1OC ZINC000160193724 927221799 /nfs/dbraw/zinc/22/17/99/927221799.db2.gz DRNBGXMJNTVBPA-GOSISDBHSA-N 1 1 357.450 3.591 20 10 FHCDMO CN(C)c1ccc(CNC(=O)C[N@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC001167064429 927905588 /nfs/dbraw/zinc/90/55/88/927905588.db2.gz VVFVFQRRDQUOCD-UHFFFAOYSA-N 1 1 371.912 3.687 20 10 FHCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC001167064429 927905596 /nfs/dbraw/zinc/90/55/96/927905596.db2.gz VVFVFQRRDQUOCD-UHFFFAOYSA-N 1 1 371.912 3.687 20 10 FHCDMO CCC[N@@H+](CC)CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000175765830 928869783 /nfs/dbraw/zinc/86/97/83/928869783.db2.gz OBRDHNLVLXHFRG-UHFFFAOYSA-N 1 1 360.546 3.550 20 10 FHCDMO COc1cc(O)c(CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1OC ZINC000160323624 929791018 /nfs/dbraw/zinc/79/10/18/929791018.db2.gz YTRKYAGTBMCQRR-QGZVFWFLSA-N 1 1 370.493 3.506 20 10 FHCDMO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1OC ZINC000160323624 929791023 /nfs/dbraw/zinc/79/10/23/929791023.db2.gz YTRKYAGTBMCQRR-QGZVFWFLSA-N 1 1 370.493 3.506 20 10 FHCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1OC ZINC000160323624 929791029 /nfs/dbraw/zinc/79/10/29/929791029.db2.gz YTRKYAGTBMCQRR-QGZVFWFLSA-N 1 1 370.493 3.506 20 10 FHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000471604157 930961537 /nfs/dbraw/zinc/96/15/37/930961537.db2.gz ISGGCXFXHXYFSS-QGZVFWFLSA-N 1 1 370.541 3.798 20 10 FHCDMO COc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(O)c1OC ZINC000891554374 932749745 /nfs/dbraw/zinc/74/97/45/932749745.db2.gz HHNGGNCMSKYLNL-UHFFFAOYSA-N 1 1 365.433 3.575 20 10 FHCDMO COC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(C)o1 ZINC000156522567 933095824 /nfs/dbraw/zinc/09/58/24/933095824.db2.gz DLFIHPTXDMWCDG-MAUKXSAKSA-N 1 1 362.445 3.602 20 10 FHCDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000093275248 934114768 /nfs/dbraw/zinc/11/47/68/934114768.db2.gz HTZMAIZMRNASRD-CQSZACIVSA-N 1 1 363.502 3.929 20 10 FHCDMO COc1ccc(C[N@H+](Cc2ccccc2)CC2CCOCC2)c(O)c1OC ZINC000892022171 934851055 /nfs/dbraw/zinc/85/10/55/934851055.db2.gz TXNAOWWKHDCZHT-UHFFFAOYSA-N 1 1 371.477 3.838 20 10 FHCDMO COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001204585562 935144462 /nfs/dbraw/zinc/14/44/62/935144462.db2.gz SSRHBBVKPFQTBI-UHFFFAOYSA-N 1 1 354.922 3.616 20 10 FHCDMO COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001204585562 935144465 /nfs/dbraw/zinc/14/44/65/935144465.db2.gz SSRHBBVKPFQTBI-UHFFFAOYSA-N 1 1 354.922 3.616 20 10 FHCDMO C[C@H]1C[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@@H]1O ZINC000588527805 935843264 /nfs/dbraw/zinc/84/32/64/935843264.db2.gz HBGINNTVWUMZGW-KXBFYZLASA-N 1 1 352.438 3.743 20 10 FHCDMO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@@H]1O ZINC000588527805 935843266 /nfs/dbraw/zinc/84/32/66/935843266.db2.gz HBGINNTVWUMZGW-KXBFYZLASA-N 1 1 352.438 3.743 20 10 FHCDMO COc1ccc(N2CCC[N@H+](Cc3cc(-c4ccco4)on3)CC2)cc1 ZINC000052465604 938320041 /nfs/dbraw/zinc/32/00/41/938320041.db2.gz APCCPJYMSLABMQ-UHFFFAOYSA-N 1 1 353.422 3.656 20 10 FHCDMO COc1ccc(N2CCC[N@@H+](Cc3cc(-c4ccco4)on3)CC2)cc1 ZINC000052465604 938320042 /nfs/dbraw/zinc/32/00/42/938320042.db2.gz APCCPJYMSLABMQ-UHFFFAOYSA-N 1 1 353.422 3.656 20 10 FHCDMO COc1cc(O)c(C[N@@H+](C)CCOc2ccc(Cl)cc2)cc1OC ZINC000158835554 938875880 /nfs/dbraw/zinc/87/58/80/938875880.db2.gz KWHAPVDMNOFHGZ-UHFFFAOYSA-N 1 1 351.830 3.574 20 10 FHCDMO CCN(CC)c1ccc(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)cc1 ZINC000728602794 939126739 /nfs/dbraw/zinc/12/67/39/939126739.db2.gz OIQLVJBOWJQMMF-NRFANRHFSA-N 1 1 353.510 3.842 20 10 FHCDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cccc(OCC)c1O ZINC000179609836 939894122 /nfs/dbraw/zinc/89/41/22/939894122.db2.gz ALSWBERRBZDGHF-UHFFFAOYSA-N 1 1 356.466 3.950 20 10 FHCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000179781246 939934716 /nfs/dbraw/zinc/93/47/16/939934716.db2.gz BJJCSAQNEDRVDQ-IBGZPJMESA-N 1 1 363.509 3.955 20 10 FHCDMO CCc1oc(C(=O)OC)cc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000177153407 939970695 /nfs/dbraw/zinc/97/06/95/939970695.db2.gz KRHZYMKWOUVRNH-QGZVFWFLSA-N 1 1 373.449 3.515 20 10 FHCDMO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccc(F)cc1O ZINC000310654268 940307079 /nfs/dbraw/zinc/30/70/79/940307079.db2.gz SUSFOHXCMROJMB-YDHLFZDLSA-N 1 1 352.450 3.970 20 10 FHCDMO Cc1nc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)sc1C ZINC000892623337 941003092 /nfs/dbraw/zinc/00/30/92/941003092.db2.gz VOOKPICHFSEGIO-CHWSQXEVSA-N 1 1 363.502 3.802 20 10 FHCDMO c1cc(N2CCOCC2)ccc1C[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000236652227 941639729 /nfs/dbraw/zinc/63/97/29/941639729.db2.gz YNYXBGTYAPJWOY-UHFFFAOYSA-N 1 1 371.569 3.802 20 10 FHCDMO COc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc1C ZINC000280592693 942211030 /nfs/dbraw/zinc/21/10/30/942211030.db2.gz BOILQCZNZYKCMC-OXQOHEQNSA-N 1 1 361.507 3.576 20 10 FHCDMO COc1ccc(N2CCC[N@@H+](Cc3cnc([C@H]4CCCO4)s3)CC2)cc1 ZINC000378352659 942634739 /nfs/dbraw/zinc/63/47/39/942634739.db2.gz ZDRDMPJFNXQJKS-LJQANCHMSA-N 1 1 373.522 3.716 20 10 FHCDMO C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])C[NH+]1CCCCC1 ZINC000756434156 942908125 /nfs/dbraw/zinc/90/81/25/942908125.db2.gz IRXWFCKLFYGNMD-KGLIPLIRSA-N 1 1 355.320 3.927 20 10 FHCDMO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc(Br)c(F)cc1O ZINC000756461959 943009111 /nfs/dbraw/zinc/00/91/11/943009111.db2.gz WDMNFMDKUDUYMF-FVMDXXJSSA-N 1 1 372.209 3.817 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H](C)C2CC2)C1 ZINC000435568400 943490497 /nfs/dbraw/zinc/49/04/97/943490497.db2.gz OUTBPFBJFOAWRH-INIZCTEOSA-N 1 1 353.510 3.665 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC2(C)C)C1 ZINC000436014520 943954143 /nfs/dbraw/zinc/95/41/43/943954143.db2.gz FGFVMFNZVNYTBW-UHFFFAOYSA-N 1 1 353.510 3.809 20 10 FHCDMO C[N@@H+](Cc1cnc(-c2ccco2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000194315084 944652192 /nfs/dbraw/zinc/65/21/92/944652192.db2.gz APNVOXRJDWKCHV-UHFFFAOYSA-N 1 1 369.490 3.872 20 10 FHCDMO Cc1cc(C(=O)C[N@H+](C)CCC2CCOCC2)c(C)n1-c1ccc(F)cn1 ZINC000828041682 945439451 /nfs/dbraw/zinc/43/94/51/945439451.db2.gz VEPBVVLGOMNAOX-UHFFFAOYSA-N 1 1 373.472 3.559 20 10 FHCDMO Cc1cc(C(=O)C[N@@H+](C)CCC2CCOCC2)c(C)n1-c1ccc(F)cn1 ZINC000828041682 945439460 /nfs/dbraw/zinc/43/94/60/945439460.db2.gz VEPBVVLGOMNAOX-UHFFFAOYSA-N 1 1 373.472 3.559 20 10 FHCDMO COC(=O)c1c(C[NH2+]Cc2ccnc(SC)c2)c2cc(F)ccc2n1C ZINC000894412381 945552542 /nfs/dbraw/zinc/55/25/42/945552542.db2.gz CPOFQLLJQYQXSS-UHFFFAOYSA-N 1 1 373.453 3.511 20 10 FHCDMO Oc1ccc(Br)cc1C[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000894430929 945630428 /nfs/dbraw/zinc/63/04/28/945630428.db2.gz AKAUXMPWBZCLGP-UHFFFAOYSA-N 1 1 367.190 3.920 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCCO1 ZINC000160170065 927072554 /nfs/dbraw/zinc/07/25/54/927072554.db2.gz DJXQICPGYVKWCV-NRFANRHFSA-N 1 1 363.461 3.759 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1c(Cl)nc2ccccn21)C[C@@H]1CCCO1 ZINC000160172642 927084621 /nfs/dbraw/zinc/08/46/21/927084621.db2.gz WGUIENHOSUWSJY-INIZCTEOSA-N 1 1 371.868 3.875 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1c(Cl)nc2ccccn21)C[C@@H]1CCCO1 ZINC000160172642 927084633 /nfs/dbraw/zinc/08/46/33/927084633.db2.gz WGUIENHOSUWSJY-INIZCTEOSA-N 1 1 371.868 3.875 20 10 FHCDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC001167330256 929927227 /nfs/dbraw/zinc/92/72/27/929927227.db2.gz ZJMKRRUJVNOARO-ZWKOTPCHSA-N 1 1 356.432 3.873 20 10 FHCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1OC ZINC000160369792 930228542 /nfs/dbraw/zinc/22/85/42/930228542.db2.gz ZVTZALXCASYGDQ-LJQANCHMSA-N 1 1 371.477 3.633 20 10 FHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000471612988 931040457 /nfs/dbraw/zinc/04/04/57/931040457.db2.gz VWMACMXIGSXDEJ-JKSUJKDBSA-N 1 1 356.514 3.549 20 10 FHCDMO COc1ccc(C[N@H+](C)Cc2cccc(Br)c2O)c(OC)c1 ZINC000160835335 931776801 /nfs/dbraw/zinc/77/68/01/931776801.db2.gz XONHRWDHDLKPMU-UHFFFAOYSA-N 1 1 366.255 3.804 20 10 FHCDMO COc1ccc(C[N@@H+](C)Cc2cccc(Br)c2O)c(OC)c1 ZINC000160835335 931776808 /nfs/dbraw/zinc/77/68/08/931776808.db2.gz XONHRWDHDLKPMU-UHFFFAOYSA-N 1 1 366.255 3.804 20 10 FHCDMO CCOc1ccc(O)c(C[N@H+](C)CC(=O)Nc2ccccc2SC)c1 ZINC000160888176 931963317 /nfs/dbraw/zinc/96/33/17/931963317.db2.gz PENNOBRGJJNVQW-UHFFFAOYSA-N 1 1 360.479 3.583 20 10 FHCDMO CCOc1ccc(O)c(C[N@@H+](C)CC(=O)Nc2ccccc2SC)c1 ZINC000160888176 931963324 /nfs/dbraw/zinc/96/33/24/931963324.db2.gz PENNOBRGJJNVQW-UHFFFAOYSA-N 1 1 360.479 3.583 20 10 FHCDMO Oc1cc(F)c(F)cc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCCC(F)(F)F ZINC001279108377 932003054 /nfs/dbraw/zinc/00/30/54/932003054.db2.gz UTVUZHAMKODPRW-GJZGRUSLSA-N 1 1 364.358 3.662 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1ccco1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891395275 932052515 /nfs/dbraw/zinc/05/25/15/932052515.db2.gz XEAFIMXCMSLCRX-MSOLQXFVSA-N 1 1 361.413 3.621 20 10 FHCDMO COc1ccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c(O)c1OC ZINC000891517844 932685811 /nfs/dbraw/zinc/68/58/11/932685811.db2.gz YOZDEAFMVOXDDB-OAHLLOKOSA-N 1 1 363.479 3.652 20 10 FHCDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c(O)c1OC ZINC000891739046 933090423 /nfs/dbraw/zinc/09/04/23/933090423.db2.gz PGPQDRAUEBCKBQ-QGZVFWFLSA-N 1 1 367.449 3.633 20 10 FHCDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c(O)c1OC ZINC000891739046 933090428 /nfs/dbraw/zinc/09/04/28/933090428.db2.gz PGPQDRAUEBCKBQ-QGZVFWFLSA-N 1 1 367.449 3.633 20 10 FHCDMO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000277019685 934455508 /nfs/dbraw/zinc/45/55/08/934455508.db2.gz WPOZHWATCJDLRF-KRWDZBQOSA-N 1 1 357.454 3.705 20 10 FHCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000277019685 934455512 /nfs/dbraw/zinc/45/55/12/934455512.db2.gz WPOZHWATCJDLRF-KRWDZBQOSA-N 1 1 357.454 3.705 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(F)cn2)C1 ZINC000582159960 935360167 /nfs/dbraw/zinc/36/01/67/935360167.db2.gz LBWJUXVBPNVNRB-UHFFFAOYSA-N 1 1 366.440 3.581 20 10 FHCDMO COc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c(O)c1OC ZINC000892216295 935378019 /nfs/dbraw/zinc/37/80/19/935378019.db2.gz IBPYVGDSVNHOAZ-HUUCEWRRSA-N 1 1 363.479 3.559 20 10 FHCDMO CCOc1cccc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)c1O ZINC000158427026 935565684 /nfs/dbraw/zinc/56/56/84/935565684.db2.gz ZJBMXWNHVCONTE-UHFFFAOYSA-N 1 1 356.466 3.787 20 10 FHCDMO CCOc1cccc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)c1O ZINC000158427026 935565688 /nfs/dbraw/zinc/56/56/88/935565688.db2.gz ZJBMXWNHVCONTE-UHFFFAOYSA-N 1 1 356.466 3.787 20 10 FHCDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)NCc1ccco1)Cc1ccccc1O ZINC000176673700 935751123 /nfs/dbraw/zinc/75/11/23/935751123.db2.gz NPLFNARLZSGUSH-KRWDZBQOSA-N 1 1 364.445 3.865 20 10 FHCDMO C[C@H](c1ccccc1)[N@@H+](CC(=O)NCc1ccco1)Cc1ccccc1O ZINC000176673718 935751306 /nfs/dbraw/zinc/75/13/06/935751306.db2.gz NPLFNARLZSGUSH-QGZVFWFLSA-N 1 1 364.445 3.865 20 10 FHCDMO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)no1 ZINC000176679053 935788507 /nfs/dbraw/zinc/78/85/07/935788507.db2.gz HMJPQOWCEOEQCH-MRXNPFEDSA-N 1 1 365.433 3.891 20 10 FHCDMO Cc1cc(NC(=O)C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)no1 ZINC000176679053 935788510 /nfs/dbraw/zinc/78/85/10/935788510.db2.gz HMJPQOWCEOEQCH-MRXNPFEDSA-N 1 1 365.433 3.891 20 10 FHCDMO Cc1cc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc(C)[nH+]1 ZINC000052426894 938300290 /nfs/dbraw/zinc/30/02/90/938300290.db2.gz DNIRJZFKBGISOQ-UHFFFAOYSA-N 1 1 366.387 3.561 20 10 FHCDMO Cc1nc2ccccc2nc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000176798559 938440463 /nfs/dbraw/zinc/44/04/63/938440463.db2.gz QCUMBUIHUGIFMI-SFHVURJKSA-N 1 1 363.461 3.825 20 10 FHCDMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(F)cc1F ZINC000278496188 938481164 /nfs/dbraw/zinc/48/11/64/938481164.db2.gz MNACOVDAJWTTTQ-CQSZACIVSA-N 1 1 352.337 3.828 20 10 FHCDMO COc1cccc(NC(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000052686767 938488860 /nfs/dbraw/zinc/48/88/60/938488860.db2.gz RIBZRWQIJWZWNB-UHFFFAOYSA-N 1 1 367.493 3.756 20 10 FHCDMO COc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000052686767 938488863 /nfs/dbraw/zinc/48/88/63/938488863.db2.gz RIBZRWQIJWZWNB-UHFFFAOYSA-N 1 1 367.493 3.756 20 10 FHCDMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(OCC)c1O ZINC000179627576 939903731 /nfs/dbraw/zinc/90/37/31/939903731.db2.gz UKSHNPWGILSXIU-UHFFFAOYSA-N 1 1 372.465 3.650 20 10 FHCDMO COc1cccc(C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)c1O ZINC000179754433 939931965 /nfs/dbraw/zinc/93/19/65/939931965.db2.gz POUPRRWMGOCQJG-DOTOQJQBSA-N 1 1 368.260 3.798 20 10 FHCDMO COc1cc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c(O)c(C(C)(C)C)c1 ZINC000178869415 941733810 /nfs/dbraw/zinc/73/38/10/941733810.db2.gz CTOQOTMPBHPVBL-AWEZNQCLSA-N 1 1 359.470 3.769 20 10 FHCDMO C[N@@H+](Cc1cccc(F)c1O)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377927190 942071587 /nfs/dbraw/zinc/07/15/87/942071587.db2.gz ZFZSBPIKUNNTGP-UHFFFAOYSA-N 1 1 371.456 3.907 20 10 FHCDMO C[N@H+](Cc1cccc(F)c1O)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000377927190 942071592 /nfs/dbraw/zinc/07/15/92/942071592.db2.gz ZFZSBPIKUNNTGP-UHFFFAOYSA-N 1 1 371.456 3.907 20 10 FHCDMO COc1cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(O)cc1C ZINC000181460618 942550727 /nfs/dbraw/zinc/55/07/27/942550727.db2.gz WNRFVCNOHGXXOQ-AWEZNQCLSA-N 1 1 369.387 3.762 20 10 FHCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1O ZINC000181467636 942552441 /nfs/dbraw/zinc/55/24/41/942552441.db2.gz CBNJHROQCBBBOC-AWEZNQCLSA-N 1 1 369.387 3.762 20 10 FHCDMO C[C@H]([NH2+]CCCN1CCN(C)C[C@@H]1c1ccccc1)c1cc(F)ccc1O ZINC000756403171 942665986 /nfs/dbraw/zinc/66/59/86/942665986.db2.gz XEKFBDOIXJDOKY-LAUBAEHRSA-N 1 1 371.500 3.561 20 10 FHCDMO Cn1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C(C)(C)C)n1 ZINC000183513622 942882206 /nfs/dbraw/zinc/88/22/06/942882206.db2.gz YUSNDWZDNBQIAC-SFHVURJKSA-N 1 1 357.498 3.604 20 10 FHCDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)CC1CCS(=O)(=O)CC1 ZINC000271793534 943051795 /nfs/dbraw/zinc/05/17/95/943051795.db2.gz ARNIVDVKRQSLMD-KRWDZBQOSA-N 1 1 373.518 3.780 20 10 FHCDMO Cc1cc(Br)cc(C[NH2+]Cc2nnc(C(C)(C)C)s2)c1O ZINC000271868142 943063916 /nfs/dbraw/zinc/06/39/16/943063916.db2.gz WQZLHYHUVMRBHT-UHFFFAOYSA-N 1 1 370.316 3.902 20 10 FHCDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(C)cc3O)cc2F)CC1 ZINC000185393767 943159051 /nfs/dbraw/zinc/15/90/51/943159051.db2.gz UEQQHLYYNQWDHW-KRWDZBQOSA-N 1 1 371.500 3.832 20 10 FHCDMO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1O ZINC000185394491 943160046 /nfs/dbraw/zinc/16/00/46/943160046.db2.gz SUAYALISDXSBGO-KBPBESRZSA-N 1 1 352.450 3.829 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2CCCC2)C1 ZINC000435510831 943452093 /nfs/dbraw/zinc/45/20/93/943452093.db2.gz JMCLJBGPOMFQBK-UHFFFAOYSA-N 1 1 353.510 3.714 20 10 FHCDMO COc1ccc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)cc1O ZINC000756528450 943620251 /nfs/dbraw/zinc/62/02/51/943620251.db2.gz YNYINZOHKVUKNF-VIFPVBQESA-N 1 1 370.218 3.859 20 10 FHCDMO CN(C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1)C(=O)OC(C)(C)C ZINC000729463631 944351071 /nfs/dbraw/zinc/35/10/71/944351071.db2.gz NJXMLLMTXTUQDZ-OAHLLOKOSA-N 1 1 360.498 3.570 20 10 FHCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2c(O)ccc3ccc(OC)cc32)cc1 ZINC000025477210 944380287 /nfs/dbraw/zinc/38/02/87/944380287.db2.gz UXIOMXPDIOSFFF-UHFFFAOYSA-N 1 1 365.429 3.973 20 10 FHCDMO CN(C[C@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1)C(=O)OC(C)(C)C ZINC000729465966 944413586 /nfs/dbraw/zinc/41/35/86/944413586.db2.gz IUHUBWKJCKQIGN-OAHLLOKOSA-N 1 1 371.481 3.629 20 10 FHCDMO COC1CCN(c2ccc(C[N@@H+]3CCO[C@H](c4ccsc4)C3)cc2)CC1 ZINC000296874746 944635445 /nfs/dbraw/zinc/63/54/45/944635445.db2.gz WKBSCXHHLVDZOL-NRFANRHFSA-N 1 1 372.534 3.937 20 10 FHCDMO COC1CCN(c2ccc(C[N@H+]3CCO[C@H](c4ccsc4)C3)cc2)CC1 ZINC000296874746 944635453 /nfs/dbraw/zinc/63/54/53/944635453.db2.gz WKBSCXHHLVDZOL-NRFANRHFSA-N 1 1 372.534 3.937 20 10 FHCDMO COc1cc(C)cc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)c1O ZINC000894469301 945729569 /nfs/dbraw/zinc/72/95/69/945729569.db2.gz KRJQQQISWQLKTG-IBGZPJMESA-N 1 1 371.868 3.975 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC23CCC3)C1 ZINC000444327204 946588236 /nfs/dbraw/zinc/58/82/36/946588236.db2.gz JTQDGAKVRVTCNB-UHFFFAOYSA-N 1 1 365.521 3.953 20 10 FHCDMO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c(O)c1OC ZINC000894912957 946590407 /nfs/dbraw/zinc/59/04/07/946590407.db2.gz LSKCVABEUGDVQT-NRFANRHFSA-N 1 1 369.461 3.763 20 10 FHCDMO COc1cc(C)cc(C[N@@H+](C)C2CCN(CCC(F)(F)F)CC2)c1O ZINC000894953427 946701773 /nfs/dbraw/zinc/70/17/73/946701773.db2.gz BQHKCOAUTYNPOM-UHFFFAOYSA-N 1 1 360.420 3.558 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC3(CC3)C2)C1 ZINC000444360054 947147540 /nfs/dbraw/zinc/14/75/40/947147540.db2.gz BJZDKJYKADOFSN-UHFFFAOYSA-N 1 1 365.521 3.810 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC23CCCC3)C1 ZINC000652568447 947368400 /nfs/dbraw/zinc/36/84/00/947368400.db2.gz FDPIZKTUXSKRNK-UHFFFAOYSA-N 1 1 365.521 3.953 20 10 FHCDMO COc1c(O)c(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000278897243 948032109 /nfs/dbraw/zinc/03/21/09/948032109.db2.gz QNSOETJRQJCLQV-JTQLQIEISA-N 1 1 368.336 3.761 20 10 FHCDMO CCCOCc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278928047 948162202 /nfs/dbraw/zinc/16/22/02/948162202.db2.gz VRJFLFPJUCPSDT-UHFFFAOYSA-N 1 1 360.410 3.525 20 10 FHCDMO O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000740097555 600428146 /nfs/dbraw/zinc/42/81/46/600428146.db2.gz LJUHHDHAMJDXBU-QGZVFWFLSA-N 1 1 368.477 3.694 20 10 FHCDMO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(C)cc(C)c1O ZINC000825317766 607846215 /nfs/dbraw/zinc/84/62/15/607846215.db2.gz AJPFESQKIUJMQX-UHFFFAOYSA-N 1 1 351.454 3.601 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)C1CCCCC1 ZINC000826511583 608496340 /nfs/dbraw/zinc/49/63/40/608496340.db2.gz WPPGKASCXDLPCL-UHFFFAOYSA-N 1 1 369.494 3.969 20 10 FHCDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(C)n1-c1ccccn1 ZINC000247968805 937131455 /nfs/dbraw/zinc/13/14/55/937131455.db2.gz FHMOATKZZPSYJM-IRLDBZIGSA-N 1 1 374.488 3.664 20 10 FHCDMO O=C(CCc1ccccc1)N1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000120407982 928326446 /nfs/dbraw/zinc/32/64/46/928326446.db2.gz XMHWSRNPIVKPGM-UHFFFAOYSA-N 1 1 372.896 3.713 20 10 FHCDMO COc1c(O)c(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)ccc1[N+](=O)[O-] ZINC000278168590 937293808 /nfs/dbraw/zinc/29/38/08/937293808.db2.gz FPNQOTCBVCQBQH-AWEZNQCLSA-N 1 1 363.439 3.583 20 10 FHCDMO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(N)=O ZINC000255041817 929538998 /nfs/dbraw/zinc/53/89/98/929538998.db2.gz VVBQAPCAZCMWBI-GOSISDBHSA-N 1 1 367.453 3.530 20 10 FHCDMO [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001279107073 929715616 /nfs/dbraw/zinc/71/56/16/929715616.db2.gz ITQAIHZSCSVMFJ-UHFFFAOYSA-N 1 1 350.453 3.901 20 10 FHCDMO CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050136956 930497135 /nfs/dbraw/zinc/49/71/35/930497135.db2.gz PIDWHJYMCFLVKS-MRXNPFEDSA-N 1 1 373.522 3.507 20 10 FHCDMO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)oc1C ZINC000134263382 930818261 /nfs/dbraw/zinc/81/82/61/930818261.db2.gz OHTKYZJTGNWFPD-MRXNPFEDSA-N 1 1 362.857 3.650 20 10 FHCDMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)oc1C ZINC000134263382 930818268 /nfs/dbraw/zinc/81/82/68/930818268.db2.gz OHTKYZJTGNWFPD-MRXNPFEDSA-N 1 1 362.857 3.650 20 10 FHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000471599613 930902339 /nfs/dbraw/zinc/90/23/39/930902339.db2.gz UQUDSYAPALSVNQ-QGZVFWFLSA-N 1 1 370.541 3.941 20 10 FHCDMO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2nnc3n2CCC3)cc1 ZINC000075758294 932340170 /nfs/dbraw/zinc/34/01/70/932340170.db2.gz RXIQEZMUIYCESG-UHFFFAOYSA-N 1 1 361.493 3.541 20 10 FHCDMO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cc4c(cc3O)OCO4)n2)cc1 ZINC000276744754 933128696 /nfs/dbraw/zinc/12/86/96/933128696.db2.gz JRYNLSUHJLPWDW-LBPRGKRZSA-N 1 1 367.405 3.584 20 10 FHCDMO COc1ccc2ccc(O)c(C[N@@H+](C)Cc3ccc([S@](C)=O)cc3)c2c1 ZINC000176125229 933750423 /nfs/dbraw/zinc/75/04/23/933750423.db2.gz BYLPZXBBRIEMAX-SANMLTNESA-N 1 1 369.486 3.923 20 10 FHCDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093593261 934155511 /nfs/dbraw/zinc/15/55/11/934155511.db2.gz ANIDFBLQDZJYAT-LJQANCHMSA-N 1 1 352.478 3.521 20 10 FHCDMO Oc1ccc(-c2csc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1O ZINC000072087690 935294936 /nfs/dbraw/zinc/29/49/36/935294936.db2.gz IMUIBWLSAVSVHH-LJQANCHMSA-N 1 1 368.458 3.795 20 10 FHCDMO Oc1ccc(-c2csc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1O ZINC000072087690 935294944 /nfs/dbraw/zinc/29/49/44/935294944.db2.gz IMUIBWLSAVSVHH-LJQANCHMSA-N 1 1 368.458 3.795 20 10 FHCDMO [O-]c1cc(O)c(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)cc1Cl ZINC001279571848 935321275 /nfs/dbraw/zinc/32/12/75/935321275.db2.gz AAJSLKDTGMYEEV-UHFFFAOYSA-N 1 1 350.890 3.592 20 10 FHCDMO COc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c(O)c1OC ZINC000892216296 935379118 /nfs/dbraw/zinc/37/91/18/935379118.db2.gz IBPYVGDSVNHOAZ-LSDHHAIUSA-N 1 1 363.479 3.559 20 10 FHCDMO CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708516345 938693092 /nfs/dbraw/zinc/69/30/92/938693092.db2.gz HGUQTSJFYGGHCJ-AWEZNQCLSA-N 1 1 358.429 3.844 20 10 FHCDMO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708517072 938693270 /nfs/dbraw/zinc/69/32/70/938693270.db2.gz OAJDSEHFKPADCM-AWEZNQCLSA-N 1 1 356.413 3.550 20 10 FHCDMO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708535196 938806139 /nfs/dbraw/zinc/80/61/39/938806139.db2.gz JJUUSSGPEOKYKI-KBPBESRZSA-N 1 1 356.413 3.596 20 10 FHCDMO Cc1c2ccccc2sc1C(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179579056 939892196 /nfs/dbraw/zinc/89/21/96/939892196.db2.gz CBOVWBJEIXSVFP-UHFFFAOYSA-N 1 1 366.486 3.873 20 10 FHCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000177235620 940038534 /nfs/dbraw/zinc/03/85/34/940038534.db2.gz VHVKURHHCJRDQM-CYBMUJFWSA-N 1 1 368.412 3.508 20 10 FHCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@@H](N(C)Cc3ccccn3)CC2)c1 ZINC000377705658 941915828 /nfs/dbraw/zinc/91/58/28/941915828.db2.gz XSMCPAAADSBTFT-IEBWSBKVSA-N 1 1 369.509 3.843 20 10 FHCDMO C[C@H](C(=O)NCc1ccccc1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571583 942245733 /nfs/dbraw/zinc/24/57/33/942245733.db2.gz HIENBTIAQBUZFX-LJQANCHMSA-N 1 1 365.521 3.814 20 10 FHCDMO C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571598 942245879 /nfs/dbraw/zinc/24/58/79/942245879.db2.gz GHKHXSIHZDVYQW-GOSISDBHSA-N 1 1 357.542 3.946 20 10 FHCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001167735281 942581413 /nfs/dbraw/zinc/58/14/13/942581413.db2.gz XQRXIXLAQHUUDP-HNNXBMFYSA-N 1 1 356.249 3.571 20 10 FHCDMO Cc1ncc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(F)cc3O)[C@H](C)C2)s1 ZINC000363861478 942873644 /nfs/dbraw/zinc/87/36/44/942873644.db2.gz WTXSHKUQMTZCQH-VFVRVIDISA-N 1 1 363.502 3.857 20 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/nfs/dbraw/zinc/78/71/22/943787122.db2.gz RUAIZIYDMHPAGQ-QGZVFWFLSA-N 1 1 351.494 3.633 20 10 FHCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000781902699 944009909 /nfs/dbraw/zinc/00/99/09/944009909.db2.gz SMYVHQIGLKCFCQ-ZDUSSCGKSA-N 1 1 364.287 3.576 20 10 FHCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000781902699 944009916 /nfs/dbraw/zinc/00/99/16/944009916.db2.gz SMYVHQIGLKCFCQ-ZDUSSCGKSA-N 1 1 364.287 3.576 20 10 FHCDMO CC[C@@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)nc1)c1ccc(F)cc1O ZINC000285797684 944102284 /nfs/dbraw/zinc/10/22/84/944102284.db2.gz VBYNMXBPSGJLOO-GOSISDBHSA-N 1 1 354.429 3.970 20 10 FHCDMO COc1ccc(C[NH2+]Cc2cccc(Br)c2O)c(F)c1OC ZINC000894571059 944273389 /nfs/dbraw/zinc/27/33/89/944273389.db2.gz LZVAZNNJICOXQS-UHFFFAOYSA-N 1 1 370.218 3.601 20 10 FHCDMO Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001167982692 944554885 /nfs/dbraw/zinc/55/48/85/944554885.db2.gz FWLTYAZSXMXXKQ-LZLYRXPVSA-N 1 1 373.415 3.873 20 10 FHCDMO Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001167982689 944555413 /nfs/dbraw/zinc/55/54/13/944555413.db2.gz FWLTYAZSXMXXKQ-JZXOWHBKSA-N 1 1 373.415 3.873 20 10 FHCDMO COc1cc(C)cc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1O ZINC000894781776 944606011 /nfs/dbraw/zinc/60/60/11/944606011.db2.gz HMGGWDIPWWTCLJ-DOTOQJQBSA-N 1 1 359.491 3.710 20 10 FHCDMO COc1cc(C)cc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)c1O ZINC000894493515 945820213 /nfs/dbraw/zinc/82/02/13/945820213.db2.gz CHSCSGIUAPQTTE-GFCCVEGCSA-N 1 1 357.385 3.749 20 10 FHCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825285100 947143408 /nfs/dbraw/zinc/14/34/08/947143408.db2.gz JMZSTGDVYOAFIM-OAHLLOKOSA-N 1 1 351.454 3.936 20 10 FHCDMO COc1c(O)c(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000278897248 948032354 /nfs/dbraw/zinc/03/23/54/948032354.db2.gz QNSOETJRQJCLQV-SNVBAGLBSA-N 1 1 368.336 3.761 20 10 FHCDMO CC(C)(C)c1cnc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000279120654 948523349 /nfs/dbraw/zinc/52/33/49/948523349.db2.gz LQIVQZQLNLNAQC-UHFFFAOYSA-N 1 1 373.566 3.939 20 10 FHCDMO C[C@@H](NCC1([NH+](C)C)CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000168268819 948573355 /nfs/dbraw/zinc/57/33/55/948573355.db2.gz PZIWMXQWWXUXKA-QGZVFWFLSA-N 1 1 363.521 3.577 20 10 FHCDMO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)[C@H]2C)c(O)c1OC ZINC000895116449 948732483 /nfs/dbraw/zinc/73/24/83/948732483.db2.gz XEMIPGNVQGKJLW-YJYMSZOUSA-N 1 1 361.413 3.511 20 10 FHCDMO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(F)c3)[C@H]2C)c(O)c1OC ZINC000895116449 948732488 /nfs/dbraw/zinc/73/24/88/948732488.db2.gz XEMIPGNVQGKJLW-YJYMSZOUSA-N 1 1 361.413 3.511 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000823731857 606751730 /nfs/dbraw/zinc/75/17/30/606751730.db2.gz GABIXWIYQBDILP-UHFFFAOYSA-N 1 1 363.465 3.907 20 10 FHCDMO Cc1cc(C)c(O)c(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1 ZINC000826263539 607846531 /nfs/dbraw/zinc/84/65/31/607846531.db2.gz GNEHJVJGMAXJSA-UHFFFAOYSA-N 1 1 351.454 3.600 20 10 FHCDMO CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435300 608550512 /nfs/dbraw/zinc/55/05/12/608550512.db2.gz SRMBTDLOTUYBLL-CQSZACIVSA-N 1 1 368.460 3.655 20 10 FHCDMO Cc1ccc(O)c(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)c1 ZINC000826291798 608570521 /nfs/dbraw/zinc/57/05/21/608570521.db2.gz WMEUIIYXHPGSGM-UHFFFAOYSA-N 1 1 351.454 3.539 20 10 FHCDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000121997064 936313873 /nfs/dbraw/zinc/31/38/73/936313873.db2.gz CXPYKKHIFFYZOX-CQSZACIVSA-N 1 1 359.857 3.600 20 10 FHCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1OC ZINC000160214660 927348765 /nfs/dbraw/zinc/34/87/65/927348765.db2.gz ZSAZFOPIWCQROZ-GOSISDBHSA-N 1 1 356.466 3.813 20 10 FHCDMO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)no1 ZINC000176679036 937354906 /nfs/dbraw/zinc/35/49/06/937354906.db2.gz HMJPQOWCEOEQCH-INIZCTEOSA-N 1 1 365.433 3.891 20 10 FHCDMO Cc1cc(NC(=O)C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)no1 ZINC000176679036 937354909 /nfs/dbraw/zinc/35/49/09/937354909.db2.gz HMJPQOWCEOEQCH-INIZCTEOSA-N 1 1 365.433 3.891 20 10 FHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000471501612 930047761 /nfs/dbraw/zinc/04/77/61/930047761.db2.gz ZMAZSNFZJMFZDI-INIZCTEOSA-N 1 1 356.514 3.550 20 10 FHCDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000046751637 930330379 /nfs/dbraw/zinc/33/03/79/930330379.db2.gz PKGHFQCQOHAKDV-GOSISDBHSA-N 1 1 360.546 3.549 20 10 FHCDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(OC)c(OC)cc1O)CCC2 ZINC000160425328 930365064 /nfs/dbraw/zinc/36/50/64/930365064.db2.gz JHPQKCIAAIYIOE-AWEZNQCLSA-N 1 1 362.495 3.938 20 10 FHCDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000091957496 931293513 /nfs/dbraw/zinc/29/35/13/931293513.db2.gz MJVZMLXCHWVFAV-HOCLYGCPSA-N 1 1 366.255 3.836 20 10 FHCDMO C[N@@H+](CCCNCc1c(O)cccc1Br)Cc1ccccc1 ZINC000706861293 931796253 /nfs/dbraw/zinc/79/62/53/931796253.db2.gz CVTREYWCRGGESX-UHFFFAOYSA-N 1 1 363.299 3.766 20 10 FHCDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(OC)c(OC)c1O ZINC000891477154 932627830 /nfs/dbraw/zinc/62/78/30/932627830.db2.gz BEDQGXIXGTXJOG-UHFFFAOYSA-N 1 1 372.465 3.569 20 10 FHCDMO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(O)c1OC ZINC000891636162 932898608 /nfs/dbraw/zinc/89/86/08/932898608.db2.gz XMCRQYHBEIHDQF-KRWDZBQOSA-N 1 1 363.841 3.636 20 10 FHCDMO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c(O)c1OC ZINC000891636162 932898612 /nfs/dbraw/zinc/89/86/12/932898612.db2.gz XMCRQYHBEIHDQF-KRWDZBQOSA-N 1 1 363.841 3.636 20 10 FHCDMO COc1ccc(O)c(C[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000276698147 933001463 /nfs/dbraw/zinc/00/14/63/933001463.db2.gz AWKPKIKKXRBMLJ-GFCCVEGCSA-N 1 1 357.385 3.749 20 10 FHCDMO COc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c(O)c1OC ZINC000892075672 934941000 /nfs/dbraw/zinc/94/10/00/934941000.db2.gz LZUOKUPKFUZMSK-UHFFFAOYSA-N 1 1 373.293 3.726 20 10 FHCDMO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756639004 945137666 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CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000236727184 946222960 /nfs/dbraw/zinc/22/29/60/946222960.db2.gz JAXNVESWPIBXQG-UHFFFAOYSA-N 1 1 353.510 3.750 20 10 FHCDMO COc1ccc(N2CCC[N@@H+](CCOc3ccccc3Cl)CC2)cc1 ZINC000302927428 946388864 /nfs/dbraw/zinc/38/88/64/946388864.db2.gz BGVSRGABLXDBFA-UHFFFAOYSA-N 1 1 360.885 3.940 20 10 FHCDMO CCN(C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C)C1)CC(F)(F)F ZINC000840915938 946758943 /nfs/dbraw/zinc/75/89/43/946758943.db2.gz DERBBPKVLDKEFU-MRXNPFEDSA-N 1 1 357.464 3.767 20 10 FHCDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(O)c(C(C)(C)C)c1 ZINC000164496794 947571271 /nfs/dbraw/zinc/57/12/71/947571271.db2.gz CVDIFCGEEHDWPZ-BEFAXECRSA-N 1 1 357.498 3.978 20 10 FHCDMO COC(=O)c1ccc(-n2c(C)cc(C(=O)Cn3c[nH+]c(C)c3C)c2C)cc1 ZINC000178971033 948311605 /nfs/dbraw/zinc/31/16/05/948311605.db2.gz JHROTQCCFBQUKE-UHFFFAOYSA-N 1 1 365.433 3.577 20 10 FHCDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000359971057 132375958 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FHCDMO Oc1ccccc1C[N@@H+](Cc1ccco1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891395278 932052330 /nfs/dbraw/zinc/05/23/30/932052330.db2.gz XEAFIMXCMSLCRX-ZWKOTPCHSA-N 1 1 361.413 3.621 20 10 FHCDMO Cc1nc(C(C)(C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)sc1C ZINC000076904683 932417147 /nfs/dbraw/zinc/41/71/47/932417147.db2.gz JNXOBWJRWBYOSF-UHFFFAOYSA-N 1 1 363.502 3.761 20 10 FHCDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(OC)c2O)cc1OC ZINC000891552639 932746920 /nfs/dbraw/zinc/74/69/20/932746920.db2.gz CSNKNNMYFRCHEY-MRXNPFEDSA-N 1 1 373.449 3.764 20 10 FHCDMO O=C(C[N@H+]1CCC[C@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255372189 932856263 /nfs/dbraw/zinc/85/62/63/932856263.db2.gz SEYBAMYUZSODTF-INIZCTEOSA-N 1 1 352.438 3.745 20 10 FHCDMO O=C(C[N@@H+]1CCC[C@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255372189 932856272 /nfs/dbraw/zinc/85/62/72/932856272.db2.gz SEYBAMYUZSODTF-INIZCTEOSA-N 1 1 352.438 3.745 20 10 FHCDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(OC)c(OC)c1O)CCC2 ZINC000892141395 935108059 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CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708517348 938693029 /nfs/dbraw/zinc/69/30/29/938693029.db2.gz OAJDSEHFKPADCM-CQSZACIVSA-N 1 1 356.413 3.550 20 10 FHCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(-n2ccnc2)nc1 ZINC000176992485 939027312 /nfs/dbraw/zinc/02/73/12/939027312.db2.gz IFUXYBLSNNXHKJ-UHFFFAOYSA-N 1 1 361.493 3.890 20 10 FHCDMO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2C)CC1)c1ccc(F)cc1O ZINC000375887784 940021616 /nfs/dbraw/zinc/02/16/16/940021616.db2.gz JMLMRSUPNVUTHR-GOSISDBHSA-N 1 1 360.429 3.778 20 10 FHCDMO CC[C@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc(F)cc1O ZINC000376061925 940257534 /nfs/dbraw/zinc/25/75/34/940257534.db2.gz MXCSHHIYFDHFPE-KMFMINBZSA-N 1 1 361.417 3.753 20 10 FHCDMO Cc1nc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)sc1C ZINC000892623339 941002968 /nfs/dbraw/zinc/00/29/68/941002968.db2.gz VOOKPICHFSEGIO-STQMWFEESA-N 1 1 363.502 3.802 20 10 FHCDMO CCCN(Cc1ccccc1O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000066699660 941222365 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Cc1cc(CN2CCC([N@H+](C)Cc3c(O)ccc(Cl)c3F)CC2)on1 ZINC000364333412 944361455 /nfs/dbraw/zinc/36/14/55/944361455.db2.gz UCWVVDJGTFRTGS-UHFFFAOYSA-N 1 1 367.852 3.578 20 10 FHCDMO Cc1cc(CN2CCC([N@@H+](C)Cc3c(O)ccc(Cl)c3F)CC2)on1 ZINC000364333412 944361462 /nfs/dbraw/zinc/36/14/62/944361462.db2.gz UCWVVDJGTFRTGS-UHFFFAOYSA-N 1 1 367.852 3.578 20 10 FHCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000517674867 944482377 /nfs/dbraw/zinc/48/23/77/944482377.db2.gz CJAAPMACVVNVGB-IBGZPJMESA-N 1 1 371.525 3.509 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCC(C)(C)F)C1 ZINC000618410445 944606510 /nfs/dbraw/zinc/60/65/10/944606510.db2.gz GPZLXQVPKLAKPI-UHFFFAOYSA-N 1 1 359.489 3.662 20 10 FHCDMO COC(=O)c1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)ccc1C ZINC001167983897 944686818 /nfs/dbraw/zinc/68/68/18/944686818.db2.gz OHNDQQLENNWWJM-LJQANCHMSA-N 1 1 369.461 3.668 20 10 FHCDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000843763702 945549543 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20 10 FHCDMO CCCn1nc(C)c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1C ZINC000160170489 927072445 /nfs/dbraw/zinc/07/24/45/927072445.db2.gz UJHGFMZYZKCVCH-LJQANCHMSA-N 1 1 357.498 3.797 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCCO1 ZINC000160209036 927286859 /nfs/dbraw/zinc/28/68/59/927286859.db2.gz MTIJJFATQXRUNF-HXUWFJFHSA-N 1 1 363.461 3.964 20 10 FHCDMO C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(F)c(F)cc1[O-])Cc1ccccc12 ZINC001279106094 928646298 /nfs/dbraw/zinc/64/62/98/928646298.db2.gz HJQGLFFXCZKASC-UHFFFAOYSA-N 1 1 358.432 3.650 20 10 FHCDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC001167330255 929927300 /nfs/dbraw/zinc/92/73/00/929927300.db2.gz ZJMKRRUJVNOARO-ROUUACIJSA-N 1 1 356.432 3.873 20 10 FHCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC001167382344 930534337 /nfs/dbraw/zinc/53/43/37/930534337.db2.gz YRIPPHWIKXAYKM-NRFANRHFSA-N 1 1 352.478 3.851 20 10 FHCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1 ZINC001167382344 930534345 /nfs/dbraw/zinc/53/43/45/930534345.db2.gz YRIPPHWIKXAYKM-NRFANRHFSA-N 1 1 352.478 3.851 20 10 FHCDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC001167382345 930534476 /nfs/dbraw/zinc/53/44/76/930534476.db2.gz YRIPPHWIKXAYKM-OAQYLSRUSA-N 1 1 352.478 3.851 20 10 FHCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC001167382345 930534481 /nfs/dbraw/zinc/53/44/81/930534481.db2.gz YRIPPHWIKXAYKM-OAQYLSRUSA-N 1 1 352.478 3.851 20 10 FHCDMO Cc1cscc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134260464 930818339 /nfs/dbraw/zinc/81/83/39/930818339.db2.gz VDTZIJSVSBSHIW-OAHLLOKOSA-N 1 1 364.898 3.810 20 10 FHCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1O ZINC000175837379 931093733 /nfs/dbraw/zinc/09/37/33/931093733.db2.gz OBAMPAAAYHASMR-WBVHZDCISA-N 1 1 363.454 3.884 20 10 FHCDMO CN(C)c1ccc(C[N@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)nn2)cc1 ZINC000891397368 932071025 /nfs/dbraw/zinc/07/10/25/932071025.db2.gz NIZBPQZRUJDPKX-UHFFFAOYSA-N 1 1 371.485 3.522 20 10 FHCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)nn2)cc1 ZINC000891397368 932071028 /nfs/dbraw/zinc/07/10/28/932071028.db2.gz NIZBPQZRUJDPKX-UHFFFAOYSA-N 1 1 371.485 3.522 20 10 FHCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cc(Br)cn2C)c1 ZINC000091961698 934833987 /nfs/dbraw/zinc/83/39/87/934833987.db2.gz QOVUNIWFYMOSMV-UHFFFAOYSA-N 1 1 353.260 3.524 20 10 FHCDMO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc(F)cc1O ZINC000796665426 939123143 /nfs/dbraw/zinc/12/31/43/939123143.db2.gz IILTZGHAWHJGNY-GOSISDBHSA-N 1 1 350.478 3.607 20 10 FHCDMO CCCN(Cc1ccccc1O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000066702004 941231370 /nfs/dbraw/zinc/23/13/70/941231370.db2.gz IUOMPAFAMCTAFO-UHFFFAOYSA-N 1 1 369.509 3.966 20 10 FHCDMO COc1ccc(CNC2CC[NH+](CC3CCCCC3)CC2)c(O)c1OC ZINC000892775667 941538680 /nfs/dbraw/zinc/53/86/80/941538680.db2.gz YPMZBXRTDYAFOY-UHFFFAOYSA-N 1 1 362.514 3.544 20 10 FHCDMO CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc(F)cc1O ZINC000796666176 941793087 /nfs/dbraw/zinc/79/30/87/941793087.db2.gz MVYABCGXNYIMNV-IAGOWNOFSA-N 1 1 364.486 3.707 20 10 FHCDMO C[N@H+](Cc1cccc(Cl)c1[O-])C1CC[NH+](CCc2ccncc2)CC1 ZINC000377863165 942040365 /nfs/dbraw/zinc/04/03/65/942040365.db2.gz CVBXOLOJEMQZLD-UHFFFAOYSA-N 1 1 359.901 3.580 20 10 FHCDMO C[N@@H+](Cc1cccc(Cl)c1[O-])C1CC[NH+](CCc2ccncc2)CC1 ZINC000377863165 942040368 /nfs/dbraw/zinc/04/03/68/942040368.db2.gz CVBXOLOJEMQZLD-UHFFFAOYSA-N 1 1 359.901 3.580 20 10 FHCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000180774912 942427429 /nfs/dbraw/zinc/42/74/29/942427429.db2.gz NZIBKEWVWJKMDW-GOSISDBHSA-N 1 1 367.367 3.993 20 10 FHCDMO COc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000180774912 942427437 /nfs/dbraw/zinc/42/74/37/942427437.db2.gz NZIBKEWVWJKMDW-GOSISDBHSA-N 1 1 367.367 3.993 20 10 FHCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(C#N)cc3)cc2F)CC1 ZINC000181722504 942601913 /nfs/dbraw/zinc/60/19/13/942601913.db2.gz SAVBPTJMCPQOOJ-QGZVFWFLSA-N 1 1 366.484 3.690 20 10 FHCDMO C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862793 942879939 /nfs/dbraw/zinc/87/99/39/942879939.db2.gz ZEYJVWRAUCFFNS-WCFLWFBJSA-N 1 1 357.267 3.571 20 10 FHCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000273482538 942968003 /nfs/dbraw/zinc/96/80/03/942968003.db2.gz MKAKRLCMVSXVCI-RZQQEMMASA-N 1 1 369.461 3.997 20 10 FHCDMO CO[C@@H](C)c1nc(C[NH2+]Cc2cc(Br)cc(C)c2O)cs1 ZINC000271854549 943061634 /nfs/dbraw/zinc/06/16/34/943061634.db2.gz UOOPCCURYGKHIX-JTQLQIEISA-N 1 1 371.300 3.917 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@@H]2C)C1 ZINC000435638931 943522449 /nfs/dbraw/zinc/52/24/49/943522449.db2.gz SASXGEGNBZJDCC-KRWDZBQOSA-N 1 1 353.510 3.809 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C)[C@H]2C)C1 ZINC000435805323 943781832 /nfs/dbraw/zinc/78/18/32/943781832.db2.gz AHVUQEPKNODIAU-IAGOWNOFSA-N 1 1 353.510 3.665 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C)[C@H]2C)C1 ZINC000435805318 943781948 /nfs/dbraw/zinc/78/19/48/943781948.db2.gz AHVUQEPKNODIAU-DLBZAZTESA-N 1 1 353.510 3.665 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)C1 ZINC000435810158 943784516 /nfs/dbraw/zinc/78/45/16/943784516.db2.gz PBCYVXPCBRMOGA-KDURUIRLSA-N 1 1 365.521 3.522 20 10 FHCDMO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C1CCC1 ZINC000435854467 943810792 /nfs/dbraw/zinc/81/07/92/943810792.db2.gz GYLFULMQQGCXEC-UHFFFAOYSA-N 1 1 353.510 3.809 20 10 FHCDMO C[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccc(N2CCOCC2)cc1 ZINC000364308751 944281141 /nfs/dbraw/zinc/28/11/41/944281141.db2.gz GMVJOSZJSIQLDB-SCLBCKFNSA-N 1 1 360.404 3.586 20 10 FHCDMO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000364310459 944285480 /nfs/dbraw/zinc/28/54/80/944285480.db2.gz UPPUPMBMBPMZCZ-NSHDSACASA-N 1 1 359.813 3.955 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](C)C2)C1 ZINC000436447221 944323031 /nfs/dbraw/zinc/32/30/31/944323031.db2.gz AQZFJYPCNQDKRD-KRWDZBQOSA-N 1 1 353.510 3.666 20 10 FHCDMO C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756615112 944760189 /nfs/dbraw/zinc/76/01/89/944760189.db2.gz WCJPAYDYDOZHAJ-JFGNBEQYSA-N 1 1 361.711 3.941 20 10 FHCDMO C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756615112 944760196 /nfs/dbraw/zinc/76/01/96/944760196.db2.gz WCJPAYDYDOZHAJ-JFGNBEQYSA-N 1 1 361.711 3.941 20 10 FHCDMO [O-]c1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167973829 945975899 /nfs/dbraw/zinc/97/58/99/945975899.db2.gz ONYVTBKRKHJELP-ALOPSCKCSA-N 1 1 365.315 3.650 20 10 FHCDMO [O-]c1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973829 945975908 /nfs/dbraw/zinc/97/59/08/945975908.db2.gz ONYVTBKRKHJELP-ALOPSCKCSA-N 1 1 365.315 3.650 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H]3CCC[C@@H]32)C1 ZINC000444279599 946164984 /nfs/dbraw/zinc/16/49/84/946164984.db2.gz GIUGJOKQASRJPS-XLIONFOSSA-N 1 1 365.521 3.809 20 10 FHCDMO C[N@@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)Cc1ccccc1O ZINC000736814785 598617768 /nfs/dbraw/zinc/61/77/68/598617768.db2.gz UCBMBAZTXMYHLM-UHFFFAOYSA-N 1 1 371.444 3.871 20 10 FHCDMO COc1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc(OC)c1 ZINC000160185183 927150391 /nfs/dbraw/zinc/15/03/91/927150391.db2.gz PNRYRXFWPXBXQO-GOSISDBHSA-N 1 1 357.450 3.591 20 10 FHCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124166464 937214643 /nfs/dbraw/zinc/21/46/43/937214643.db2.gz GNNAUAHTLAITRW-CQSZACIVSA-N 1 1 360.889 3.743 20 10 FHCDMO Cc1cc(O)c(C[N@H+](Cc2ccccc2)[C@H](C)CN2CCOCC2)cc1C ZINC000728199330 928067334 /nfs/dbraw/zinc/06/73/34/928067334.db2.gz SSGLLUGTCJLITQ-HXUWFJFHSA-N 1 1 368.521 3.732 20 10 FHCDMO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3ccc(O)c(Cl)c3)c2)CC1 ZINC000121138037 930082868 /nfs/dbraw/zinc/08/28/68/930082868.db2.gz PAQJPMJRKDKUGZ-UHFFFAOYSA-N 1 1 373.884 3.828 20 10 FHCDMO C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588411497 932041468 /nfs/dbraw/zinc/04/14/68/932041468.db2.gz RQPXEWCIDQLPDR-HZPDHXFCSA-N 1 1 352.438 3.743 20 10 FHCDMO C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588411497 932041471 /nfs/dbraw/zinc/04/14/71/932041471.db2.gz RQPXEWCIDQLPDR-HZPDHXFCSA-N 1 1 352.438 3.743 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)C(F)F)C1 ZINC000684341897 932331281 /nfs/dbraw/zinc/33/12/81/932331281.db2.gz NJDNNLMXKHPNBR-UHFFFAOYSA-N 1 1 363.452 3.568 20 10 FHCDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)c(O)c1OC ZINC000891739045 933090320 /nfs/dbraw/zinc/09/03/20/933090320.db2.gz PGPQDRAUEBCKBQ-KRWDZBQOSA-N 1 1 367.449 3.633 20 10 FHCDMO COc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)c(O)c1OC ZINC000891739045 933090326 /nfs/dbraw/zinc/09/03/26/933090326.db2.gz PGPQDRAUEBCKBQ-KRWDZBQOSA-N 1 1 367.449 3.633 20 10 FHCDMO C[N@H+](Cc1c(O)ccc2cc(Br)ccc21)C[C@@H]1CCOC1 ZINC000176103567 933584257 /nfs/dbraw/zinc/58/42/57/933584257.db2.gz DEFVKJWGYPUPPV-LBPRGKRZSA-N 1 1 350.256 3.776 20 10 FHCDMO COc1ccccc1[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccco1 ZINC000151133110 934757108 /nfs/dbraw/zinc/75/71/08/934757108.db2.gz UWRYNHJMUGMQIE-FQEVSTJZSA-N 1 1 353.374 3.602 20 10 FHCDMO C[C@H](c1ccccc1)[N@@H+](CC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000176680027 935799402 /nfs/dbraw/zinc/79/94/02/935799402.db2.gz CRUOHCHBPWGBEV-CQSZACIVSA-N 1 1 366.383 3.634 20 10 FHCDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@@H]1O ZINC000588527802 935843230 /nfs/dbraw/zinc/84/32/30/935843230.db2.gz HBGINNTVWUMZGW-BEFAXECRSA-N 1 1 352.438 3.743 20 10 FHCDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[C@@H]1O ZINC000588527802 935843235 /nfs/dbraw/zinc/84/32/35/935843235.db2.gz HBGINNTVWUMZGW-BEFAXECRSA-N 1 1 352.438 3.743 20 10 FHCDMO COc1cc(Br)cc(C[N@@H+](C)Cc2cnc(C)s2)c1O ZINC000179381151 939138937 /nfs/dbraw/zinc/13/89/37/939138937.db2.gz HRSDAOWLWAFBFC-UHFFFAOYSA-N 1 1 357.273 3.560 20 10 FHCDMO COc1ccc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)c(O)c1OC ZINC000892864989 941629745 /nfs/dbraw/zinc/62/97/45/941629745.db2.gz FWLFKPVIHQJULP-IBGZPJMESA-N 1 1 370.493 3.726 20 10 FHCDMO C[C@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1ccc(F)cc1O ZINC000760015616 942073431 /nfs/dbraw/zinc/07/34/31/942073431.db2.gz DXYPBKZTTLQDJI-MAUKXSAKSA-N 1 1 360.498 3.800 20 10 FHCDMO C[C@H](c1ccccc1)[N@@H+](CC(=O)N(C)CC1CC1)Cc1ccccc1O ZINC000179643973 942263433 /nfs/dbraw/zinc/26/34/33/942263433.db2.gz SFNXHCOATUTVIY-QGZVFWFLSA-N 1 1 352.478 3.824 20 10 FHCDMO Cc1ncsc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000584560772 942355277 /nfs/dbraw/zinc/35/52/77/942355277.db2.gz APBZBIZJQVRITG-UHFFFAOYSA-N 1 1 368.506 3.811 20 10 FHCDMO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)cc1C ZINC000378344798 942613044 /nfs/dbraw/zinc/61/30/44/942613044.db2.gz CQIWBNQZAAIIHW-MRXNPFEDSA-N 1 1 365.437 3.576 20 10 FHCDMO C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862792 942880104 /nfs/dbraw/zinc/88/01/04/942880104.db2.gz ZEYJVWRAUCFFNS-UHTWSYAYSA-N 1 1 357.267 3.571 20 10 FHCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000273760113 943031837 /nfs/dbraw/zinc/03/18/37/943031837.db2.gz OUIWHSQXPVXFFB-GFCCVEGCSA-N 1 1 363.845 3.694 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccco2)C1 ZINC000435651541 943538459 /nfs/dbraw/zinc/53/84/59/943538459.db2.gz UXLSSXSIWJSLDQ-UHFFFAOYSA-N 1 1 365.477 3.659 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@@H](C)CC[C@@H]2C)C1 ZINC000435829989 943799815 /nfs/dbraw/zinc/79/98/15/943799815.db2.gz ZUFLWTNPSVLVGR-IRXDYDNUSA-N 1 1 353.510 3.807 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC=CCC2)C1 ZINC000435860520 943814451 /nfs/dbraw/zinc/81/44/51/943814451.db2.gz PDYUWJRGVYVEBS-KRWDZBQOSA-N 1 1 351.494 3.633 20 10 FHCDMO CC1CCN(c2ccc(C[NH2+]Cc3ncc(C4OCCO4)s3)cc2)CC1 ZINC000290210004 943929677 /nfs/dbraw/zinc/92/96/77/943929677.db2.gz DURAKQNDSOBPGD-UHFFFAOYSA-N 1 1 373.522 3.715 20 10 FHCDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838843194 944004554 /nfs/dbraw/zinc/00/45/54/944004554.db2.gz LXJYAGIXKHUKGT-CQSZACIVSA-N 1 1 355.320 3.642 20 10 FHCDMO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)o1 ZINC000756608957 944684690 /nfs/dbraw/zinc/68/46/90/944684690.db2.gz REWWRCINHZGLPP-TVQRCGJNSA-N 1 1 358.207 3.579 20 10 FHCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(O)c3)cc2F)CC1 ZINC000194887203 944758736 /nfs/dbraw/zinc/75/87/36/944758736.db2.gz HIOIPTAARHAXDS-MRXNPFEDSA-N 1 1 357.473 3.524 20 10 FHCDMO C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756615110 944759691 /nfs/dbraw/zinc/75/96/91/944759691.db2.gz WCJPAYDYDOZHAJ-JBLDHEPKSA-N 1 1 361.711 3.941 20 10 FHCDMO C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000756615110 944759694 /nfs/dbraw/zinc/75/96/94/944759694.db2.gz WCJPAYDYDOZHAJ-JBLDHEPKSA-N 1 1 361.711 3.941 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC23CCC3)C1 ZINC000444255100 946132975 /nfs/dbraw/zinc/13/29/75/946132975.db2.gz XFQWGMXOAJONGZ-UHFFFAOYSA-N 1 1 351.494 3.563 20 10 FHCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000121311561 946537560 /nfs/dbraw/zinc/53/75/60/946537560.db2.gz RMLBBSICMXUUQH-UHFFFAOYSA-N 1 1 350.384 3.573 20 10 FHCDMO c1ccc(N[C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000093704342 946967974 /nfs/dbraw/zinc/96/79/74/946967974.db2.gz BLHLSECHWOKEAM-NRFANRHFSA-N 1 1 351.494 3.600 20 10 FHCDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccc(N2CCCCC2)cc1 ZINC000821611223 607387260 /nfs/dbraw/zinc/38/72/60/607387260.db2.gz WMIZVBZQTSPXNQ-UHFFFAOYSA-N 1 1 368.510 3.551 20 10 FHCDMO CCOc1ccc(O)c(C[N@@H+](CC)[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000825643976 608551072 /nfs/dbraw/zinc/55/10/72/608551072.db2.gz YXWDLCUPFNALNT-CQSZACIVSA-N 1 1 367.453 3.554 20 10 FHCDMO CCOc1cccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1O ZINC000160183967 927153653 /nfs/dbraw/zinc/15/36/53/927153653.db2.gz ABPYVLQWSFTXEZ-SFHVURJKSA-N 1 1 357.450 3.678 20 10 FHCDMO Oc1cc(F)c(F)cc1CN1CC[C@H]2C[N@@H+](CCCC(F)(F)F)C[C@H]21 ZINC001279105569 927233004 /nfs/dbraw/zinc/23/30/04/927233004.db2.gz CPFBDTFWUFEMPV-XHDPSFHLSA-N 1 1 364.358 3.519 20 10 FHCDMO COc1c(O)c(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278108185 937189655 /nfs/dbraw/zinc/18/96/55/937189655.db2.gz BCFAFWNQDLMLNP-RHSMWYFYSA-N 1 1 372.421 3.567 20 10 FHCDMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc(Cl)ccc1O ZINC000160246699 928292409 /nfs/dbraw/zinc/29/24/09/928292409.db2.gz MGHNYGZUANDGKW-UHFFFAOYSA-N 1 1 354.784 3.784 20 10 FHCDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc(Cl)ccc1O ZINC000160246699 928292421 /nfs/dbraw/zinc/29/24/21/928292421.db2.gz MGHNYGZUANDGKW-UHFFFAOYSA-N 1 1 354.784 3.784 20 10 FHCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000046751645 930330529 /nfs/dbraw/zinc/33/05/29/930330529.db2.gz VYUDDQWDJAZZPT-IBGZPJMESA-N 1 1 374.573 3.939 20 10 FHCDMO CCCN(Cc1ccccc1O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000175947789 930701213 /nfs/dbraw/zinc/70/12/13/930701213.db2.gz KOPGMJOBQJYALM-UHFFFAOYSA-N 1 1 373.472 3.585 20 10 FHCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000157066604 931816592 /nfs/dbraw/zinc/81/65/92/931816592.db2.gz LVQIALCJTPNFIV-INIZCTEOSA-N 1 1 356.466 3.948 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1ccco1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891395276 932052285 /nfs/dbraw/zinc/05/22/85/932052285.db2.gz XEAFIMXCMSLCRX-QZTJIDSGSA-N 1 1 361.413 3.621 20 10 FHCDMO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3cccc(OC)c3O)n2)cc1 ZINC000276740702 933117165 /nfs/dbraw/zinc/11/71/65/933117165.db2.gz IZUYOXMBPRQMCB-ZDUSSCGKSA-N 1 1 353.422 3.864 20 10 FHCDMO COc1cccc(C[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1O ZINC000276798483 933500511 /nfs/dbraw/zinc/50/05/11/933500511.db2.gz VAVKOQZVBHMJSK-LBPRGKRZSA-N 1 1 357.385 3.749 20 10 FHCDMO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c(O)c1OC ZINC000892101966 934999286 /nfs/dbraw/zinc/99/92/86/934999286.db2.gz PMJUCFZKNFKQOG-FZKQIMNGSA-N 1 1 361.413 3.511 20 10 FHCDMO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)c(O)c1OC ZINC000892101966 934999306 /nfs/dbraw/zinc/99/93/06/934999306.db2.gz PMJUCFZKNFKQOG-FZKQIMNGSA-N 1 1 361.413 3.511 20 10 FHCDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)N1CCCCC1)Cc1ccccc1O ZINC000176675831 935768159 /nfs/dbraw/zinc/76/81/59/935768159.db2.gz SBKUBWWOOSZVIO-SFHVURJKSA-N 1 1 352.478 3.968 20 10 FHCDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)C[C@@H]1C ZINC000472228384 935771905 /nfs/dbraw/zinc/77/19/05/935771905.db2.gz DNLJGFHUGPTNKI-DOTOQJQBSA-N 1 1 356.514 3.501 20 10 FHCDMO O=C(NCC[N@H+]1CCCOCC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588545224 936020060 /nfs/dbraw/zinc/02/00/60/936020060.db2.gz VAHDFPFAEQSLMW-UHFFFAOYSA-N 1 1 367.453 3.946 20 10 FHCDMO COc1cc(O)c(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cc1OC ZINC000278375040 938360386 /nfs/dbraw/zinc/36/03/86/938360386.db2.gz ABCKJOCXEXLNPN-MRVPVSSYSA-N 1 1 362.373 3.736 20 10 FHCDMO Oc1c(Br)cccc1C[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000278399356 938385045 /nfs/dbraw/zinc/38/50/45/938385045.db2.gz OBAXLDPSDZEEFG-ZDUSSCGKSA-N 1 1 369.284 3.753 20 10 FHCDMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157723625 938423079 /nfs/dbraw/zinc/42/30/79/938423079.db2.gz NTRZRVJGNMHNNM-SPYBWZPUSA-N 1 1 367.484 3.575 20 10 FHCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1OC ZINC000158861141 938592809 /nfs/dbraw/zinc/59/28/09/938592809.db2.gz FFBUAXGDSADMHI-AWEZNQCLSA-N 1 1 368.433 3.930 20 10 FHCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000066203297 940334753 /nfs/dbraw/zinc/33/47/53/940334753.db2.gz JHSTYFRRELZPHG-GOSISDBHSA-N 1 1 360.546 3.549 20 10 FHCDMO Cc1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H](C)S(C)(=O)=O)cc1 ZINC000894225816 941906315 /nfs/dbraw/zinc/90/63/15/941906315.db2.gz YWXRCFVYZOWIGI-IIBYNOLFSA-N 1 1 373.518 3.584 20 10 FHCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2COc3cccc(C)c3C2)c1 ZINC001203215947 941952081 /nfs/dbraw/zinc/95/20/81/941952081.db2.gz OJNHLNCNEQIRMO-CQSZACIVSA-N 1 1 362.267 3.865 20 10 FHCDMO CC[C@@H](c1ccccc1O)[N@@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000377902572 942061467 /nfs/dbraw/zinc/06/14/67/942061467.db2.gz FRNXYUPBAFSZAR-NRFANRHFSA-N 1 1 353.510 3.877 20 10 FHCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1O ZINC000181467652 942552484 /nfs/dbraw/zinc/55/24/84/942552484.db2.gz CBNJHROQCBBBOC-CQSZACIVSA-N 1 1 369.387 3.762 20 10 FHCDMO COCc1nccc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(C)c3O)C2)n1 ZINC000378444093 942771891 /nfs/dbraw/zinc/77/18/91/942771891.db2.gz VPDMLYNFUIEAPT-AWEZNQCLSA-N 1 1 361.873 3.670 20 10 FHCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000273413887 942951387 /nfs/dbraw/zinc/95/13/87/942951387.db2.gz QIGGHUFRRADPEO-STQMWFEESA-N 1 1 356.422 3.549 20 10 FHCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000272979026 943254210 /nfs/dbraw/zinc/25/42/10/943254210.db2.gz QECJKUKUMNRUKL-APXPCNQMSA-N 1 1 365.882 3.836 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)[C@H](C)C2)C1 ZINC000435808245 943782699 /nfs/dbraw/zinc/78/26/99/943782699.db2.gz JEUHCSOAXHNYSL-CALCHBBNSA-N 1 1 353.510 3.522 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2[C@H](C)CC[C@H]2C)C1 ZINC000435829988 943799498 /nfs/dbraw/zinc/79/94/98/943799498.db2.gz ZUFLWTNPSVLVGR-IAGOWNOFSA-N 1 1 353.510 3.807 20 10 FHCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000756535492 943816672 /nfs/dbraw/zinc/81/66/72/943816672.db2.gz QPGNEWSQIFRNHV-TXPKVOOTSA-N 1 1 368.477 3.665 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@H](C)C2)C1 ZINC000436016623 943955827 /nfs/dbraw/zinc/95/58/27/943955827.db2.gz SFPGOONDCBUWKR-IRXDYDNUSA-N 1 1 353.510 3.713 20 10 FHCDMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@H]3CCCc4c3cnn4C)c2c1 ZINC000162673159 944477443 /nfs/dbraw/zinc/47/74/43/944477443.db2.gz DTZXMMVDDKHWIO-IBGZPJMESA-N 1 1 351.450 3.797 20 10 FHCDMO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc(Br)c(F)cc1O ZINC000756606158 944634028 /nfs/dbraw/zinc/63/40/28/944634028.db2.gz VYBGXSVPFIOVCG-VFZGTOFNSA-N 1 1 374.275 3.914 20 10 FHCDMO C[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000759895346 944778199 /nfs/dbraw/zinc/77/81/99/944778199.db2.gz RLIUFGXKNXKRCF-HXUWFJFHSA-N 1 1 352.438 3.887 20 10 FHCDMO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1O ZINC001271241564 945557357 /nfs/dbraw/zinc/55/73/57/945557357.db2.gz GBCDMSSHYKBJLX-ZACQAIPSSA-N 1 1 360.498 3.603 20 10 FHCDMO C[N@@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000121301191 945831293 /nfs/dbraw/zinc/83/12/93/945831293.db2.gz OLYOOYBBZXDRKF-UHFFFAOYSA-N 1 1 368.506 3.607 20 10 FHCDMO COc1c(O)c(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278847130 946421609 /nfs/dbraw/zinc/42/16/09/946421609.db2.gz KTDMQENDEPCQCI-VQIMIIECSA-N 1 1 372.421 3.567 20 10 FHCDMO C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1O ZINC000840882931 946439001 /nfs/dbraw/zinc/43/90/01/946439001.db2.gz WNOGCZRJKWRXMA-WCQYABFASA-N 1 1 357.347 3.977 20 10 FHCDMO CN(C)c1ccc(C[N@@H+](C)Cn2ncc3c2cccc3Br)cc1 ZINC000303441267 946583556 /nfs/dbraw/zinc/58/35/56/946583556.db2.gz HUDCFXKYRSTRKG-UHFFFAOYSA-N 1 1 373.298 3.954 20 10 FHCDMO COc1c(O)c(C[NH2+][C@H]2CCOc3c(Cl)cccc32)ccc1[N+](=O)[O-] ZINC000278878647 947956895 /nfs/dbraw/zinc/95/68/95/947956895.db2.gz NWYSMRWWFFRNPX-ZDUSSCGKSA-N 1 1 364.785 3.576 20 10 FHCDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC001167806163 947984302 /nfs/dbraw/zinc/98/43/02/947984302.db2.gz BSDCHPBZQWOHEF-QGZVFWFLSA-N 1 1 359.901 3.962 20 10 FHCDMO COc1c(O)c(C[NH2+][C@@H]2CCSc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC000278931162 948185128 /nfs/dbraw/zinc/18/51/28/948185128.db2.gz WFRLXZUOMDXWET-CYBMUJFWSA-N 1 1 364.398 3.775 20 10 FHCDMO C[N@H+](Cc1cnc(C2OCCO2)s1)Cc1ccc(N2CCCCC2)cc1 ZINC000279091974 948492889 /nfs/dbraw/zinc/49/28/89/948492889.db2.gz UJBAUESYPXSSNS-UHFFFAOYSA-N 1 1 373.522 3.811 20 10 FHCDMO C[N@@H+](Cc1cnc(C2OCCO2)s1)Cc1ccc(N2CCCCC2)cc1 ZINC000279091974 948492891 /nfs/dbraw/zinc/49/28/91/948492891.db2.gz UJBAUESYPXSSNS-UHFFFAOYSA-N 1 1 373.522 3.811 20 10 FHCDMO COc1cccc(C[N@H+](Cc2cc(OC)ccc2O)C[C@H]2CCCO2)c1 ZINC000013993767 211068658 /nfs/dbraw/zinc/06/86/58/211068658.db2.gz FJXBFKKKYPEVCZ-HXUWFJFHSA-N 1 1 357.450 3.591 20 10 FHCDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000359971055 132375940 /nfs/dbraw/zinc/37/59/40/132375940.db2.gz AYDVJGWVRWJYFN-FGZHOGPDSA-N 1 1 355.526 3.652 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1F)C1CCCC1 ZINC000738400461 598621103 /nfs/dbraw/zinc/62/11/03/598621103.db2.gz IMXJLPCRJCJXJA-UHFFFAOYSA-N 1 1 367.428 3.656 20 10 FHCDMO CCOCCCN1CC[C@H]([NH2+][C@H](CC)c2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000247969639 937133903 /nfs/dbraw/zinc/13/39/03/937133903.db2.gz HDZUQOWQPCYGBL-QIJUGHKUSA-N 1 1 361.574 3.930 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CCCO1 ZINC000160189528 927163121 /nfs/dbraw/zinc/16/31/21/927163121.db2.gz TXNUKLLDZMKEPX-OAHLLOKOSA-N 1 1 351.368 3.991 20 10 FHCDMO Cc1cccn2c(C[N@H+](Cc3ccccc3O)C[C@@H]3CCCO3)cnc12 ZINC000160191631 927214865 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COC[C@H]([NH2+]Cc1cccc(F)c1O)c1cccc(Br)c1 ZINC001207225572 932972265 /nfs/dbraw/zinc/97/22/65/932972265.db2.gz MWQQMIGLWRMKPO-HNNXBMFYSA-N 1 1 354.219 3.771 20 10 FHCDMO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c(O)c1OC ZINC000892101965 934999387 /nfs/dbraw/zinc/99/93/87/934999387.db2.gz PMJUCFZKNFKQOG-ACJLOTCBSA-N 1 1 361.413 3.511 20 10 FHCDMO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c(O)c1OC ZINC000892101965 934999392 /nfs/dbraw/zinc/99/93/92/934999392.db2.gz PMJUCFZKNFKQOG-ACJLOTCBSA-N 1 1 361.413 3.511 20 10 FHCDMO Cc1nc2ccccc2nc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000176798585 938437308 /nfs/dbraw/zinc/43/73/08/938437308.db2.gz QCUMBUIHUGIFMI-GOSISDBHSA-N 1 1 363.461 3.825 20 10 FHCDMO C[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000132740527 938538470 /nfs/dbraw/zinc/53/84/70/938538470.db2.gz ZXDQDNUEVRMDFW-VQTJNVASSA-N 1 1 371.569 3.828 20 10 FHCDMO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000132740527 938538471 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CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc(F)cc1O ZINC000796666177 941792991 /nfs/dbraw/zinc/79/29/91/941792991.db2.gz MVYABCGXNYIMNV-IRXDYDNUSA-N 1 1 364.486 3.707 20 10 FHCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@H]2c2ccc(CNC(C)=O)o2)c1 ZINC000377641804 941865239 /nfs/dbraw/zinc/86/52/39/941865239.db2.gz DRYTZXOTGAWBAD-ACJLOTCBSA-N 1 1 358.438 3.528 20 10 FHCDMO Cc1cccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000122822139 942249768 /nfs/dbraw/zinc/24/97/68/942249768.db2.gz BNARYUVBSIBLQZ-IBGZPJMESA-N 1 1 367.445 3.736 20 10 FHCDMO C[C@@H](c1ccccc1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1O ZINC000179645048 942263648 /nfs/dbraw/zinc/26/36/48/942263648.db2.gz YHXCUAAIGFAOFN-INIZCTEOSA-N 1 1 366.421 3.760 20 10 FHCDMO C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862791 942880172 /nfs/dbraw/zinc/88/01/72/942880172.db2.gz ZEYJVWRAUCFFNS-DRZSPHRISA-N 1 1 357.267 3.571 20 10 FHCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000273413874 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20 10 FHCDMO COc1cc(C)cc(C[NH2+]Cc2cccc(Br)c2O)c1OC ZINC000894571177 944273220 /nfs/dbraw/zinc/27/32/20/944273220.db2.gz MTZRTWRWVMFGCA-UHFFFAOYSA-N 1 1 366.255 3.770 20 10 FHCDMO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Cl)c(Cl)cc1O ZINC000278835239 944519719 /nfs/dbraw/zinc/51/97/19/944519719.db2.gz UMWOHRORBDTZJX-NSHDSACASA-N 1 1 367.280 3.809 20 10 FHCDMO COC(=O)c1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)ccc1C ZINC001167983896 944687474 /nfs/dbraw/zinc/68/74/74/944687474.db2.gz OHNDQQLENNWWJM-IBGZPJMESA-N 1 1 369.461 3.668 20 10 FHCDMO Cc1cc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000108858916 945398273 /nfs/dbraw/zinc/39/82/73/945398273.db2.gz QKKRHTLAXQDAMW-IXDOHACOSA-N 1 1 368.525 3.585 20 10 FHCDMO COc1ccc(-n2c(C)cc(C(=O)NCC[N@@H+](C)C3CCCC3)c2C)cc1 ZINC000729441366 945544003 /nfs/dbraw/zinc/54/40/03/945544003.db2.gz WXVNXYUSVAEJAX-UHFFFAOYSA-N 1 1 369.509 3.707 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H]3CCC[C@@H]32)C1 ZINC000444279598 946165279 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FHCDMO CCN(CC)[C@@H](C[NH2+]Cc1cccc(Br)c1O)c1ccco1 ZINC000101595884 932981894 /nfs/dbraw/zinc/98/18/94/932981894.db2.gz ZWIDUKNASXALAT-HNNXBMFYSA-N 1 1 367.287 3.920 20 10 FHCDMO COC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(C)o1 ZINC000156522694 933095904 /nfs/dbraw/zinc/09/59/04/933095904.db2.gz DLFIHPTXDMWCDG-YJBOKZPZSA-N 1 1 362.445 3.602 20 10 FHCDMO COc1ccc(N2CCC[N@@H+](Cc3c[nH]nc3-c3cccs3)CC2)cc1 ZINC000092380688 934011788 /nfs/dbraw/zinc/01/17/88/934011788.db2.gz SDOZZWZAHPNIBN-UHFFFAOYSA-N 1 1 368.506 3.859 20 10 FHCDMO CN(C)C(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)[nH]1 ZINC000156777361 934944421 /nfs/dbraw/zinc/94/44/21/934944421.db2.gz GYANIYNYVQUKOH-UHFFFAOYSA-N 1 1 355.482 3.757 20 10 FHCDMO COC(=O)c1ccc(C[N@H+](C)Cc2cccc(Br)c2O)cc1 ZINC000091829750 935004965 /nfs/dbraw/zinc/00/49/65/935004965.db2.gz ZEFZKIVZZKIIQU-UHFFFAOYSA-N 1 1 364.239 3.573 20 10 FHCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2cccc(Br)c2O)cc1 ZINC000091829750 935004971 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CC[C@H](c1ccccc1O)[N@H+]1CCC[C@@H](N(C)Cc2noc(C)n2)CC1 ZINC000377625393 941850314 /nfs/dbraw/zinc/85/03/14/941850314.db2.gz MGQKAASAJNZKPV-SJLPKXTDSA-N 1 1 358.486 3.521 20 10 FHCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCCN(Cc2nccn2C(C)C)CC1 ZINC000377693520 941907525 /nfs/dbraw/zinc/90/75/25/941907525.db2.gz GULAYPATZWQBNJ-IBGZPJMESA-N 1 1 356.514 3.829 20 10 FHCDMO C[C@@H]([NH2+]C[C@H]1CSCCN1Cc1ccccc1)c1ccc(F)cc1O ZINC000760015617 942073700 /nfs/dbraw/zinc/07/37/00/942073700.db2.gz DXYPBKZTTLQDJI-QAPCUYQASA-N 1 1 360.498 3.800 20 10 FHCDMO CC[N@@H+](Cc1cc(OC)ccc1O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000180582056 942387736 /nfs/dbraw/zinc/38/77/36/942387736.db2.gz ZSAXJZMYSREDHQ-IBGZPJMESA-N 1 1 354.494 3.745 20 10 FHCDMO CC[N@H+](Cc1cc(OC)ccc1O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000180582056 942387740 /nfs/dbraw/zinc/38/77/40/942387740.db2.gz ZSAXJZMYSREDHQ-IBGZPJMESA-N 1 1 354.494 3.745 20 10 FHCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001167735282 942581278 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FHCDMO CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435299 608550903 /nfs/dbraw/zinc/55/09/03/608550903.db2.gz SRMBTDLOTUYBLL-AWEZNQCLSA-N 1 1 368.460 3.655 20 10 FHCDMO COc1c(O)c(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278108183 937189793 /nfs/dbraw/zinc/18/97/93/937189793.db2.gz BCFAFWNQDLMLNP-PBHICJAKSA-N 1 1 372.421 3.567 20 10 FHCDMO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000125974807 937348078 /nfs/dbraw/zinc/34/80/78/937348078.db2.gz CAGICTGVUMIWHC-YWZLYKJASA-N 1 1 355.457 3.693 20 10 FHCDMO CN1CCN(c2ccc(CNc3cc[nH+]cc3-c3ccccc3)cc2)CC1 ZINC001167434517 931145600 /nfs/dbraw/zinc/14/56/00/931145600.db2.gz NSKGWEBIFGDNIO-UHFFFAOYSA-N 1 1 358.489 3.534 20 10 FHCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000050901714 931809375 /nfs/dbraw/zinc/80/93/75/931809375.db2.gz LDNDJCKQNGVNOL-QGZVFWFLSA-N 1 1 370.493 3.682 20 10 FHCDMO Cc1cccc(C)c1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976122 932021878 /nfs/dbraw/zinc/02/18/78/932021878.db2.gz IFDYMXAKHQEEIR-IBGZPJMESA-N 1 1 368.477 3.629 20 10 FHCDMO Cc1cccc(C)c1NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976122 932021889 /nfs/dbraw/zinc/02/18/89/932021889.db2.gz IFDYMXAKHQEEIR-IBGZPJMESA-N 1 1 368.477 3.629 20 10 FHCDMO COc1cccc(C[NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1O ZINC000276798482 933501088 /nfs/dbraw/zinc/50/10/88/933501088.db2.gz VAVKOQZVBHMJSK-GFCCVEGCSA-N 1 1 357.385 3.749 20 10 FHCDMO C[C@@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[N@@H+]1CCO ZINC000588532283 935862499 /nfs/dbraw/zinc/86/24/99/935862499.db2.gz SJRYYPUXAWDXPN-MRXNPFEDSA-N 1 1 367.453 3.632 20 10 FHCDMO C[C@@H]1CN(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC[N@H+]1CCO ZINC000588532283 935862503 /nfs/dbraw/zinc/86/25/03/935862503.db2.gz SJRYYPUXAWDXPN-MRXNPFEDSA-N 1 1 367.453 3.632 20 10 FHCDMO CC[C@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCOCC1)c1ccc(F)cc1O ZINC000796681553 936136672 /nfs/dbraw/zinc/13/66/72/936136672.db2.gz YMFAKDVVRZLGEB-ROUUACIJSA-N 1 1 362.445 3.547 20 10 FHCDMO COc1c(O)c(C[NH2+]Cc2cc(C)ccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000278510766 938493012 /nfs/dbraw/zinc/49/30/12/938493012.db2.gz PUJDFZNOSVYEDA-UHFFFAOYSA-N 1 1 368.336 3.509 20 10 FHCDMO C[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000132740305 938538641 /nfs/dbraw/zinc/53/86/41/938538641.db2.gz ZXDQDNUEVRMDFW-UXHICEINSA-N 1 1 371.569 3.828 20 10 FHCDMO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(N2CCCCC2)cc1 ZINC000132740305 938538643 /nfs/dbraw/zinc/53/86/43/938538643.db2.gz ZXDQDNUEVRMDFW-UXHICEINSA-N 1 1 371.569 3.828 20 10 FHCDMO CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cc(F)cc(F)c2O)CCCCC1 ZINC000708498468 938663832 /nfs/dbraw/zinc/66/38/32/938663832.db2.gz ZWSLMABUJFYMRE-UHFFFAOYSA-N 1 1 370.440 3.988 20 10 FHCDMO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1O ZINC000375836612 939958201 /nfs/dbraw/zinc/95/82/01/939958201.db2.gz DMSZDBJYJCDEBX-RYGJVYDSSA-N 1 1 357.473 3.878 20 10 FHCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(OC)c3)cc2F)CC1 ZINC000177316301 940108486 /nfs/dbraw/zinc/10/84/86/940108486.db2.gz PXYDMOGWTQCOKV-QGZVFWFLSA-N 1 1 371.500 3.827 20 10 FHCDMO Cc1cc(Br)cc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)c1O ZINC001207415749 940896081 /nfs/dbraw/zinc/89/60/81/940896081.db2.gz PPFBWNXQOUQQCN-GFCCVEGCSA-N 1 1 368.193 3.616 20 10 FHCDMO Cc1cc(Br)cc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)c1O ZINC001207415749 940896082 /nfs/dbraw/zinc/89/60/82/940896082.db2.gz PPFBWNXQOUQQCN-GFCCVEGCSA-N 1 1 368.193 3.616 20 10 FHCDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001167735203 942573659 /nfs/dbraw/zinc/57/36/59/942573659.db2.gz VCAUVRASFLPUTI-UHFFFAOYSA-N 1 1 351.200 3.695 20 10 FHCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000273482544 942967753 /nfs/dbraw/zinc/96/77/53/942967753.db2.gz MKAKRLCMVSXVCI-YRNRMSPPSA-N 1 1 369.461 3.997 20 10 FHCDMO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(Br)cc1O ZINC000273511721 942975040 /nfs/dbraw/zinc/97/50/40/942975040.db2.gz RVQSEKOZLPXGRM-YMTOWFKASA-N 1 1 372.209 3.817 20 10 FHCDMO CCCC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1O ZINC000282550880 943131737 /nfs/dbraw/zinc/13/17/37/943131737.db2.gz XFIHSYGDIFJWTP-UHFFFAOYSA-N 1 1 369.465 3.591 20 10 FHCDMO Fc1cccc(F)c1[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000187595391 943369185 /nfs/dbraw/zinc/36/91/85/943369185.db2.gz ISXMUGVWHMQRFG-KRWDZBQOSA-N 1 1 358.432 3.791 20 10 FHCDMO Brc1cc(C[N@@H+]2CCCOCC2)ccc1N1CCCCC1 ZINC000838801416 943404106 /nfs/dbraw/zinc/40/41/06/943404106.db2.gz KUHCCSOJVZHEQP-UHFFFAOYSA-N 1 1 353.304 3.662 20 10 FHCDMO Brc1cc(C[N@H+]2CCCOCC2)ccc1N1CCCCC1 ZINC000838801416 943404108 /nfs/dbraw/zinc/40/41/08/943404108.db2.gz KUHCCSOJVZHEQP-UHFFFAOYSA-N 1 1 353.304 3.662 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2C=CCCC2)C1 ZINC000435814222 943787438 /nfs/dbraw/zinc/78/74/38/943787438.db2.gz RUAIZIYDMHPAGQ-KRWDZBQOSA-N 1 1 351.494 3.633 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2(C3CC3)CC2)C1 ZINC000435902248 943836423 /nfs/dbraw/zinc/83/64/23/943836423.db2.gz LDUWSUNMTNYKHT-UHFFFAOYSA-N 1 1 365.521 3.714 20 10 FHCDMO COc1ccc(CNc2ccc(-n3c[nH+]c(C)c3C)cc2)c(O)c1OC ZINC000894570795 944272687 /nfs/dbraw/zinc/27/26/87/944272687.db2.gz DNHBMUYAUZGTJM-UHFFFAOYSA-N 1 1 353.422 3.824 20 10 FHCDMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1c(O)ccc2ccncc21 ZINC000729463872 944327922 /nfs/dbraw/zinc/32/79/22/944327922.db2.gz LLUZDEDYPOETJQ-UHFFFAOYSA-N 1 1 350.418 3.506 20 10 FHCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000781919574 944392189 /nfs/dbraw/zinc/39/21/89/944392189.db2.gz DZSKZFIYVRRPDJ-INIZCTEOSA-N 1 1 354.288 3.854 20 10 FHCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000781919574 944392196 /nfs/dbraw/zinc/39/21/96/944392196.db2.gz DZSKZFIYVRRPDJ-INIZCTEOSA-N 1 1 354.288 3.854 20 10 FHCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000781919574 944392203 /nfs/dbraw/zinc/39/22/03/944392203.db2.gz DZSKZFIYVRRPDJ-INIZCTEOSA-N 1 1 354.288 3.854 20 10 FHCDMO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2cc(F)cc(F)c2O)C1 ZINC000894780966 944604771 /nfs/dbraw/zinc/60/47/71/944604771.db2.gz BMALANAHSSJGRQ-SWLSCSKDSA-N 1 1 351.418 3.671 20 10 FHCDMO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2cc(F)cc(F)c2O)C1 ZINC000894780966 944604780 /nfs/dbraw/zinc/60/47/80/944604780.db2.gz BMALANAHSSJGRQ-SWLSCSKDSA-N 1 1 351.418 3.671 20 10 FHCDMO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc(Br)c(F)cc1O ZINC000756606157 944632670 /nfs/dbraw/zinc/63/26/70/944632670.db2.gz VYBGXSVPFIOVCG-RFAUZJTJSA-N 1 1 374.275 3.914 20 10 FHCDMO CC[C@@H]1CCCN1C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444126873 945950045 /nfs/dbraw/zinc/95/00/45/945950045.db2.gz MNDMWNRTWGFDAK-QGZVFWFLSA-N 1 1 353.510 3.809 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)C[C@H]2C)C1 ZINC000444258417 946141208 /nfs/dbraw/zinc/14/12/08/946141208.db2.gz HCOYYNGKNPTUBJ-IAGOWNOFSA-N 1 1 353.510 3.665 20 10 FHCDMO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c(O)c1OC ZINC000894912958 946589664 /nfs/dbraw/zinc/58/96/64/946589664.db2.gz LSKCVABEUGDVQT-OAQYLSRUSA-N 1 1 369.461 3.763 20 10 FHCDMO COc1cc(Br)cc(C[N@@H+](C)CCc2cccs2)c1O ZINC000093685357 946954066 /nfs/dbraw/zinc/95/40/66/946954066.db2.gz CHNJJZDPJNVQHI-UHFFFAOYSA-N 1 1 356.285 3.899 20 10 FHCDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000843775431 948458314 /nfs/dbraw/zinc/45/83/14/948458314.db2.gz CPZZLQIDONYKKP-QGZVFWFLSA-N 1 1 354.498 3.703 20 10 FHCDMO Cc1ccc2ncc(C[N@H+](Cc3ccccc3O)C[C@@H]3CCCO3)n2c1 ZINC000160209544 948616242 /nfs/dbraw/zinc/61/62/42/948616242.db2.gz BJWJDHBLOZFKSL-IBGZPJMESA-N 1 1 351.450 3.530 20 10 FHCDMO COc1cc(Cl)cc(C[N@@H+](C)C2CCN(c3ccccn3)CC2)c1O ZINC000359962564 132375932 /nfs/dbraw/zinc/37/59/32/132375932.db2.gz VNBDWJJZZMXULG-UHFFFAOYSA-N 1 1 361.873 3.550 20 10 FHCDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)nc1 ZINC000122065460 937142525 /nfs/dbraw/zinc/14/25/25/937142525.db2.gz IZSYMKFNYWZRPQ-CQSZACIVSA-N 1 1 359.857 3.600 20 10 FHCDMO CCOc1ccc(O)c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000160199534 927229749 /nfs/dbraw/zinc/22/97/49/927229749.db2.gz LIKVQEOZRBPCKR-IBGZPJMESA-N 1 1 357.450 3.678 20 10 FHCDMO CN(C)c1ccc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)cc1F ZINC000274794198 928382374 /nfs/dbraw/zinc/38/23/74/928382374.db2.gz NBTLJKYSZUYZCT-HXUWFJFHSA-N 1 1 356.420 3.644 20 10 FHCDMO CC[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1OC)c1ccccc1O ZINC000155046464 937281465 /nfs/dbraw/zinc/28/14/65/937281465.db2.gz KNJAUBIMVIGDPU-YLJYHZDGSA-N 1 1 351.450 3.965 20 10 FHCDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC001167330254 929926782 /nfs/dbraw/zinc/92/67/82/929926782.db2.gz ZJMKRRUJVNOARO-QZTJIDSGSA-N 1 1 356.432 3.873 20 10 FHCDMO C[C@H](O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588411496 932041112 /nfs/dbraw/zinc/04/11/12/932041112.db2.gz RQPXEWCIDQLPDR-HOTGVXAUSA-N 1 1 352.438 3.743 20 10 FHCDMO C[C@H](O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000588411496 932041120 /nfs/dbraw/zinc/04/11/20/932041120.db2.gz RQPXEWCIDQLPDR-HOTGVXAUSA-N 1 1 352.438 3.743 20 10 FHCDMO COc1ccc(O)c(C[NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)c1 ZINC000276698153 933003092 /nfs/dbraw/zinc/00/30/92/933003092.db2.gz AWKPKIKKXRBMLJ-LBPRGKRZSA-N 1 1 357.385 3.749 20 10 FHCDMO CC[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1O ZINC000796679766 935022139 /nfs/dbraw/zinc/02/21/39/935022139.db2.gz POTXNSIQWYLHOA-VQTJNVASSA-N 1 1 358.457 3.646 20 10 FHCDMO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756639005 945138518 /nfs/dbraw/zinc/13/85/18/945138518.db2.gz XWHHLENQYWUEQF-MEDUHNTESA-N 1 1 368.246 3.986 20 10 FHCDMO CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc(F)cc1O ZINC000796666178 941789779 /nfs/dbraw/zinc/78/97/79/941789779.db2.gz MVYABCGXNYIMNV-SJORKVTESA-N 1 1 364.486 3.707 20 10 FHCDMO C[N@H+](Cc1c(O)ccc(Cl)c1F)C1CCN(Cc2ccncc2)CC1 ZINC000377925270 942074042 /nfs/dbraw/zinc/07/40/42/942074042.db2.gz UZCFDHOAMLJPRG-UHFFFAOYSA-N 1 1 363.864 3.676 20 10 FHCDMO C[N@@H+](Cc1c(O)ccc(Cl)c1F)C1CCN(Cc2ccncc2)CC1 ZINC000377925270 942074047 /nfs/dbraw/zinc/07/40/47/942074047.db2.gz UZCFDHOAMLJPRG-UHFFFAOYSA-N 1 1 363.864 3.676 20 10 FHCDMO COc1ccc(N2CCC[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000378352658 942634652 /nfs/dbraw/zinc/63/46/52/942634652.db2.gz ZDRDMPJFNXQJKS-IBGZPJMESA-N 1 1 373.522 3.716 20 10 FHCDMO Oc1cc(OCc2ccccc2)ccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000182985260 942812634 /nfs/dbraw/zinc/81/26/34/942812634.db2.gz TZGNRDOUYZREQU-GOSISDBHSA-N 1 1 353.462 3.972 20 10 FHCDMO C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)cc(F)c1[O-] ZINC000363862790 942880065 /nfs/dbraw/zinc/88/00/65/942880065.db2.gz ZEYJVWRAUCFFNS-CYZMBNFOSA-N 1 1 357.267 3.571 20 10 FHCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)c1 ZINC000273393143 942946939 /nfs/dbraw/zinc/94/69/39/942946939.db2.gz LHJDMEXIYIHVAY-CQSZACIVSA-N 1 1 370.449 3.624 20 10 FHCDMO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1cc(Br)ccc1O ZINC000273546523 942982587 /nfs/dbraw/zinc/98/25/87/942982587.db2.gz ZKGIMWFCZOEOGS-XPTSAGLGSA-N 1 1 372.209 3.817 20 10 FHCDMO C[C@@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000273018200 943260646 /nfs/dbraw/zinc/26/06/46/943260646.db2.gz SZBDJLXBMWIUTI-QGZVFWFLSA-N 1 1 371.525 3.887 20 10 FHCDMO C[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)c1ccc(F)cc1O ZINC000186750998 943364647 /nfs/dbraw/zinc/36/46/47/943364647.db2.gz JRYMLPXAOYWGPD-NSHDSACASA-N 1 1 358.335 3.761 20 10 FHCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2nc(C(C)(C)C)cs2)c1 ZINC000756547426 943950599 /nfs/dbraw/zinc/95/05/99/943950599.db2.gz CSACLPYQTVNGRD-GFCCVEGCSA-N 1 1 362.495 3.826 20 10 FHCDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000843757844 944543970 /nfs/dbraw/zinc/54/39/70/944543970.db2.gz FFFNYFAAJALLSE-QGZVFWFLSA-N 1 1 356.514 3.901 20 10 FHCDMO COCCn1c(C)c(C)c2cc(C(=O)Nc3cc[nH+]c(N(C)C)c3)ccc21 ZINC000500409366 944796879 /nfs/dbraw/zinc/79/68/79/944796879.db2.gz HIKCMULSKMSEKN-UHFFFAOYSA-N 1 1 366.465 3.618 20 10 FHCDMO CCC[N@@H+](CC(=O)c1cc(C)n(CCOC)c1C)Cc1ccccc1O ZINC000085791589 944825132 /nfs/dbraw/zinc/82/51/32/944825132.db2.gz PMDPQVATCLWRLV-UHFFFAOYSA-N 1 1 358.482 3.552 20 10 FHCDMO c1cc(N2CCOCC2)ccc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016672 945449870 /nfs/dbraw/zinc/44/98/70/945449870.db2.gz YHWZJFBUVSPVLX-JOCHJYFZSA-N 1 1 371.569 3.611 20 10 FHCDMO C[N@@H+](Cc1ccccc1CNC(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000237151759 945716965 /nfs/dbraw/zinc/71/69/65/945716965.db2.gz CPHZRSHBRWOCRJ-UHFFFAOYSA-N 1 1 365.521 3.892 20 10 FHCDMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2c(C)n[nH]c2C)c(O)c1OC ZINC000894486900 945780091 /nfs/dbraw/zinc/78/00/91/945780091.db2.gz YTAYPHNJYPXTBL-INIZCTEOSA-N 1 1 359.470 3.867 20 10 FHCDMO C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)ccc1[O-] ZINC000840884328 946455958 /nfs/dbraw/zinc/45/59/58/946455958.db2.gz KAZLZAPMAJHAIC-INIZCTEOSA-N 1 1 374.912 3.723 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC3(C2)CCCC3)C1 ZINC000444356472 947098014 /nfs/dbraw/zinc/09/80/14/947098014.db2.gz KEJJPXWWVWHPPS-UHFFFAOYSA-N 1 1 365.521 3.810 20 10 FHCDMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000053814376 947441623 /nfs/dbraw/zinc/44/16/23/947441623.db2.gz GFOCTIQHYORBSG-INIZCTEOSA-N 1 1 357.473 3.543 20 10 FHCDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000053814376 947441630 /nfs/dbraw/zinc/44/16/30/947441630.db2.gz GFOCTIQHYORBSG-INIZCTEOSA-N 1 1 357.473 3.543 20 10 FHCDMO COc1c(O)c(C[NH2+]Cc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278905907 948065181 /nfs/dbraw/zinc/06/51/81/948065181.db2.gz RUICFCOABDAISI-UHFFFAOYSA-N 1 1 356.300 3.618 20 10 FHCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821220478 607355810 /nfs/dbraw/zinc/35/58/10/607355810.db2.gz ASPZDUAHIJYHCC-OAHLLOKOSA-N 1 1 350.470 3.516 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C1CCCC1 ZINC000738401088 598620841 /nfs/dbraw/zinc/62/08/41/598620841.db2.gz OQFFRGKIEGVKSF-UHFFFAOYSA-N 1 1 367.428 3.656 20 10 FHCDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(-c2ccccc2)ccc1O ZINC000825957808 608524141 /nfs/dbraw/zinc/52/41/41/608524141.db2.gz GIVPUBQXWVQWTA-UHFFFAOYSA-N 1 1 371.444 3.871 20 10 FHCDMO COc1cc(O)c(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1OC ZINC000160476429 930581502 /nfs/dbraw/zinc/58/15/02/930581502.db2.gz KMJGTTQFUWAGGF-AWEZNQCLSA-N 1 1 363.841 3.716 20 10 FHCDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)o1 ZINC000134265040 930854751 /nfs/dbraw/zinc/85/47/51/930854751.db2.gz AYLGHNBMCVVNIZ-CYBMUJFWSA-N 1 1 369.248 3.686 20 10 FHCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)o1 ZINC000134265040 930854755 /nfs/dbraw/zinc/85/47/55/930854755.db2.gz AYLGHNBMCVVNIZ-CYBMUJFWSA-N 1 1 369.248 3.686 20 10 FHCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OC)c(OC)c1OC ZINC000156839129 931616976 /nfs/dbraw/zinc/61/69/76/931616976.db2.gz KMUCSYQLELRLRN-UHFFFAOYSA-N 1 1 358.482 3.801 20 10 FHCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000156846191 931618507 /nfs/dbraw/zinc/61/85/07/931618507.db2.gz NDAKCRSKNINUOK-UHFFFAOYSA-N 1 1 358.482 3.801 20 10 FHCDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c(O)c1OC ZINC000891473866 932623657 /nfs/dbraw/zinc/62/36/57/932623657.db2.gz IFLVSIJBTJSYII-UHFFFAOYSA-N 1 1 353.365 3.643 20 10 FHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000472053327 934899674 /nfs/dbraw/zinc/89/96/74/934899674.db2.gz HYCRNRQGXUXEND-SFHVURJKSA-N 1 1 370.541 3.654 20 10 FHCDMO COc1ccc2c(c1)c1c(n2CC(=O)Nc2cc(C)[nH+]c(C)c2)CCCC1 ZINC001267356437 938680499 /nfs/dbraw/zinc/68/04/99/938680499.db2.gz FJNOGIOIXSGORJ-UHFFFAOYSA-N 1 1 363.461 3.601 20 10 FHCDMO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179557282 939889324 /nfs/dbraw/zinc/88/93/24/939889324.db2.gz GBJNJOXDIZONOC-UHFFFAOYSA-N 1 1 365.260 3.657 20 10 FHCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@H]2c2ccc(CNC(C)=O)o2)c1 ZINC000377641815 941865197 /nfs/dbraw/zinc/86/51/97/941865197.db2.gz DRYTZXOTGAWBAD-UGSOOPFHSA-N 1 1 358.438 3.528 20 10 FHCDMO Cc1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@H](C)S(C)(=O)=O)cc1 ZINC000894225814 941913310 /nfs/dbraw/zinc/91/33/10/941913310.db2.gz YWXRCFVYZOWIGI-HRAATJIYSA-N 1 1 373.518 3.584 20 10 FHCDMO C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756366969 942306073 /nfs/dbraw/zinc/30/60/73/942306073.db2.gz JZKHQYPTZGKVIJ-JTQLQIEISA-N 1 1 357.267 3.571 20 10 FHCDMO Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000378438742 942772786 /nfs/dbraw/zinc/77/27/86/942772786.db2.gz KVWZZRFRBBBFKZ-HNNXBMFYSA-N 1 1 359.857 3.600 20 10 FHCDMO C[C@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000273018195 943260782 /nfs/dbraw/zinc/26/07/82/943260782.db2.gz SZBDJLXBMWIUTI-KRWDZBQOSA-N 1 1 371.525 3.887 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3CCC[C@H]3C2)C1 ZINC000435814494 943771628 /nfs/dbraw/zinc/77/16/28/943771628.db2.gz WCUKKCJRLWFBEA-ROUUACIJSA-N 1 1 365.521 3.666 20 10 FHCDMO CC[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000435806890 943782221 /nfs/dbraw/zinc/78/22/21/943782221.db2.gz FIODZUWFPAZAMB-KRWDZBQOSA-N 1 1 353.510 3.666 20 10 FHCDMO CC[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000435806891 943782930 /nfs/dbraw/zinc/78/29/30/943782930.db2.gz FIODZUWFPAZAMB-QGZVFWFLSA-N 1 1 353.510 3.666 20 10 FHCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001167745795 943979942 /nfs/dbraw/zinc/97/99/42/943979942.db2.gz IMWNPXNZIJWHSU-OAQYLSRUSA-N 1 1 366.509 3.929 20 10 FHCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ncccc1C(F)(F)F ZINC000121295434 947079194 /nfs/dbraw/zinc/07/91/94/947079194.db2.gz GNXUZUZTWVEGRY-UHFFFAOYSA-N 1 1 365.399 3.569 20 10 FHCDMO CC(C)[C@H]1CCN1C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444351338 947095850 /nfs/dbraw/zinc/09/58/50/947095850.db2.gz JSEYGSDIZWULJZ-LJQANCHMSA-N 1 1 353.510 3.665 20 10 FHCDMO COc1c(O)c(C[NH2+][C@H](C)c2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000278857367 947546269 /nfs/dbraw/zinc/54/62/69/947546269.db2.gz LSDHNOWSQZTXCN-SNVBAGLBSA-N 1 1 368.336 3.761 20 10 FHCDMO C[N@H+](Cc1ncc(-c2cccs2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000067427811 948437279 /nfs/dbraw/zinc/43/72/79/948437279.db2.gz FIJKMXOFILDLSR-UHFFFAOYSA-N 1 1 369.490 3.872 20 10 FHCDMO C[N@@H+](Cc1ncc(-c2cccs2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000067427811 948437286 /nfs/dbraw/zinc/43/72/86/948437286.db2.gz FIJKMXOFILDLSR-UHFFFAOYSA-N 1 1 369.490 3.872 20 10 FHCDMO C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])CC1CC[NH+](C)CC1 ZINC000708211761 937163403 /nfs/dbraw/zinc/16/34/03/937163403.db2.gz PTRZTLZKUNQWLV-UHFFFAOYSA-N 1 1 361.711 3.582 20 10 FHCDMO C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000160262294 928909514 /nfs/dbraw/zinc/90/95/14/928909514.db2.gz GLWJIPPGQPGYCH-MSOLQXFVSA-N 1 1 363.521 3.577 20 10 FHCDMO C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000160262294 928909524 /nfs/dbraw/zinc/90/95/24/928909524.db2.gz GLWJIPPGQPGYCH-MSOLQXFVSA-N 1 1 363.521 3.577 20 10 FHCDMO CC[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cc(Br)ccc1O ZINC000274914557 929029987 /nfs/dbraw/zinc/02/99/87/929029987.db2.gz OACWHYOJEKLLKL-KBPBESRZSA-N 1 1 350.260 3.996 20 10 FHCDMO Oc1cccc(Br)c1CN1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001279219513 930333976 /nfs/dbraw/zinc/33/39/76/930333976.db2.gz FDPABHAABYNLEF-UHFFFAOYSA-N 1 1 365.315 3.605 20 10 FHCDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(OC)c(OC)cc1O)CCC2 ZINC000160425191 930364590 /nfs/dbraw/zinc/36/45/90/930364590.db2.gz JHPQKCIAAIYIOE-CQSZACIVSA-N 1 1 362.495 3.938 20 10 FHCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1 ZINC000070976100 930458929 /nfs/dbraw/zinc/45/89/29/930458929.db2.gz MXGKERPPUXMGHR-SFHVURJKSA-N 1 1 374.868 3.665 20 10 FHCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1 ZINC000070976100 930458934 /nfs/dbraw/zinc/45/89/34/930458934.db2.gz MXGKERPPUXMGHR-SFHVURJKSA-N 1 1 374.868 3.665 20 10 FHCDMO CCCN(C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C1CC1 ZINC001266613067 930702647 /nfs/dbraw/zinc/70/26/47/930702647.db2.gz LLQNZZXETASAOX-UHFFFAOYSA-N 1 1 353.510 3.809 20 10 FHCDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc2)C1 ZINC000588405959 931793988 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353.514 3.846 20 10 FHCDMO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@@H+](C)C3CCCC3)ccc21 ZINC000519112079 945131826 /nfs/dbraw/zinc/13/18/26/945131826.db2.gz WMOMLCJUEVPEJJ-UHFFFAOYSA-N 1 1 371.525 3.509 20 10 FHCDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157723464 938423072 /nfs/dbraw/zinc/42/30/72/938423072.db2.gz NTRZRVJGNMHNNM-VCBZYWHSSA-N 1 1 367.484 3.575 20 10 FHCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccc(Br)cc2)cc1OC ZINC000158833706 938874533 /nfs/dbraw/zinc/87/45/33/938874533.db2.gz AHJIDMMJSCULCO-UHFFFAOYSA-N 1 1 366.255 3.804 20 10 FHCDMO c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000728594852 938990414 /nfs/dbraw/zinc/99/04/14/938990414.db2.gz GBVQMJKZQUDTSA-UHFFFAOYSA-N 1 1 366.442 3.764 20 10 FHCDMO Oc1ccc(Cl)c(Cl)c1CN1CC2(C1)CC[N@@H+](Cc1ccc[nH]1)C2 ZINC001279676483 939911149 /nfs/dbraw/zinc/91/11/49/939911149.db2.gz FNFPALVUJOSJSR-UHFFFAOYSA-N 1 1 366.292 3.735 20 10 FHCDMO C[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)Cc1ccccc1O ZINC000117881607 941710093 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FHCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000180532076 942379825 /nfs/dbraw/zinc/37/98/25/942379825.db2.gz IZACASABOBISLN-GOSISDBHSA-N 1 1 367.367 3.993 20 10 FHCDMO COc1ccc(O)c(C[N@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000180532076 942379829 /nfs/dbraw/zinc/37/98/29/942379829.db2.gz IZACASABOBISLN-GOSISDBHSA-N 1 1 367.367 3.993 20 10 FHCDMO Nc1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312120459 942630563 /nfs/dbraw/zinc/63/05/63/942630563.db2.gz UURXXLIVVJYILU-SFHVURJKSA-N 1 1 352.482 3.693 20 10 FHCDMO COc1ccc(C[NH2+][C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc1C ZINC000280592698 942742357 /nfs/dbraw/zinc/74/23/57/942742357.db2.gz BOILQCZNZYKCMC-UZLBHIALSA-N 1 1 361.507 3.576 20 10 FHCDMO Cc1ncc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(F)cc3O)[C@@H](C)C2)s1 ZINC000363861471 942873521 /nfs/dbraw/zinc/87/35/21/942873521.db2.gz WTXSHKUQMTZCQH-JCGVRSQUSA-N 1 1 363.502 3.857 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C)[C@@H]2C)C1 ZINC000435805327 943782106 /nfs/dbraw/zinc/78/21/06/943782106.db2.gz AHVUQEPKNODIAU-IRXDYDNUSA-N 1 1 353.510 3.665 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)[C@H](C)C2)C1 ZINC000435808246 943782912 /nfs/dbraw/zinc/78/29/12/943782912.db2.gz JEUHCSOAXHNYSL-IAGOWNOFSA-N 1 1 353.510 3.522 20 10 FHCDMO COC(=O)COc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000783405255 943796708 /nfs/dbraw/zinc/79/67/08/943796708.db2.gz FVUPTJCBWNOZCW-UHFFFAOYSA-N 1 1 370.493 3.715 20 10 FHCDMO CSCCCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435864891 943819956 /nfs/dbraw/zinc/81/99/56/943819956.db2.gz LSERKPVDFYDFEN-UHFFFAOYSA-N 1 1 373.566 3.667 20 10 FHCDMO COCC[N@H+](Cc1ccco1)Cc1cc(C)cc(Br)c1O ZINC000781898560 943921108 /nfs/dbraw/zinc/92/11/08/943921108.db2.gz ZNCXIKQQPRZILY-UHFFFAOYSA-N 1 1 354.244 3.705 20 10 FHCDMO COCC[N@@H+](Cc1ccco1)Cc1cc(C)cc(Br)c1O ZINC000781898560 943921111 /nfs/dbraw/zinc/92/11/11/943921111.db2.gz ZNCXIKQQPRZILY-UHFFFAOYSA-N 1 1 354.244 3.705 20 10 FHCDMO c1coc(C[NH+](Cc2ccco2)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000162563502 944102721 /nfs/dbraw/zinc/10/27/21/944102721.db2.gz TYZKTTPKGFYNCX-UHFFFAOYSA-N 1 1 352.434 3.912 20 10 FHCDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000843757838 944549252 /nfs/dbraw/zinc/54/92/52/944549252.db2.gz FFFNYFAAJALLSE-KRWDZBQOSA-N 1 1 356.514 3.901 20 10 FHCDMO COc1cc(C)cc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)c1O ZINC000894543245 945971522 /nfs/dbraw/zinc/97/15/22/945971522.db2.gz ORWJIPUUSOTUOK-CQSZACIVSA-N 1 1 353.422 3.534 20 10 FHCDMO COc1c(O)c(C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278847111 946416929 /nfs/dbraw/zinc/41/69/29/946416929.db2.gz KTDMQENDEPCQCI-APWZRJJASA-N 1 1 372.421 3.567 20 10 FHCDMO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1O ZINC000840882933 946438767 /nfs/dbraw/zinc/43/87/67/946438767.db2.gz WNOGCZRJKWRXMA-YPMHNXCESA-N 1 1 357.347 3.977 20 10 FHCDMO CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000165208786 947728292 /nfs/dbraw/zinc/72/82/92/947728292.db2.gz AKELBDWFKNENFD-CABCVRRESA-N 1 1 361.511 3.538 20 10 FHCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1O ZINC000181890318 947975310 /nfs/dbraw/zinc/97/53/10/947975310.db2.gz OJFGHFALAYINJP-GFCCVEGCSA-N 1 1 370.840 3.680 20 10 FHCDMO C[C@H](NCC1([NH+](C)C)CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000168268721 948573053 /nfs/dbraw/zinc/57/30/53/948573053.db2.gz PZIWMXQWWXUXKA-KRWDZBQOSA-N 1 1 363.521 3.577 20 10 FHCDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000121997322 936311740 /nfs/dbraw/zinc/31/17/40/936311740.db2.gz CXPYKKHIFFYZOX-AWEZNQCLSA-N 1 1 359.857 3.600 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCCO1 ZINC000160170205 927072717 /nfs/dbraw/zinc/07/27/17/927072717.db2.gz DJXQICPGYVKWCV-OAQYLSRUSA-N 1 1 363.461 3.759 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1ncccc1C(F)(F)F)C[C@@H]1CCCO1 ZINC000160172363 927092999 /nfs/dbraw/zinc/09/29/99/927092999.db2.gz SNTSVMQHWJVCCN-HNNXBMFYSA-N 1 1 366.383 3.987 20 10 FHCDMO Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000160178635 927105488 /nfs/dbraw/zinc/10/54/88/927105488.db2.gz DZSMDJOGUFOXMS-GOSISDBHSA-N 1 1 356.422 3.790 20 10 FHCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1O ZINC000175740722 928033465 /nfs/dbraw/zinc/03/34/65/928033465.db2.gz PIKKNEMUEVLULW-QGZVFWFLSA-N 1 1 357.425 3.773 20 10 FHCDMO COCCOc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC001203385775 928246712 /nfs/dbraw/zinc/24/67/12/928246712.db2.gz VYSUFKZHBMFVRL-UHFFFAOYSA-N 1 1 360.885 3.687 20 10 FHCDMO CC[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1OC)c1ccccc1O ZINC000155046154 937281408 /nfs/dbraw/zinc/28/14/08/937281408.db2.gz KNJAUBIMVIGDPU-PXNSSMCTSA-N 1 1 351.450 3.965 20 10 FHCDMO CSCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269415 930861147 /nfs/dbraw/zinc/86/11/47/930861147.db2.gz UJCFUTQOMXGAHL-MRXNPFEDSA-N 1 1 370.946 3.660 20 10 FHCDMO CC[N+](C)(C)Cc1ccccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167434296 931140811 /nfs/dbraw/zinc/14/08/11/931140811.db2.gz HRRGUFOTOROYEB-UHFFFAOYSA-N 1 1 367.561 3.647 20 10 FHCDMO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2nn(C)cc2Cl)c1O ZINC000834884434 932188259 /nfs/dbraw/zinc/18/82/59/932188259.db2.gz ZGPXKDQUFGBAIW-VIFPVBQESA-N 1 1 358.667 3.701 20 10 FHCDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000053774027 945085370 /nfs/dbraw/zinc/08/53/70/945085370.db2.gz MVZKJXQQTRONLQ-MRXNPFEDSA-N 1 1 355.438 3.877 20 10 FHCDMO COc1ccc(CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)c(O)c1OC ZINC000893391537 945085565 /nfs/dbraw/zinc/08/55/65/945085565.db2.gz QGJOMLOWXHJVQX-UHFFFAOYSA-N 1 1 353.422 3.786 20 10 FHCDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)C[C@H]1C ZINC000472228385 935771714 /nfs/dbraw/zinc/77/17/14/935771714.db2.gz DNLJGFHUGPTNKI-NVXWUHKLSA-N 1 1 356.514 3.501 20 10 FHCDMO COc1c(O)c(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000278475896 938460699 /nfs/dbraw/zinc/46/06/99/938460699.db2.gz ILUMVKNGXBCFSZ-UHFFFAOYSA-N 1 1 352.337 3.612 20 10 FHCDMO CCN(CC)c1ccc(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)cc1 ZINC000728602796 939126677 /nfs/dbraw/zinc/12/66/77/939126677.db2.gz OIQLVJBOWJQMMF-OAQYLSRUSA-N 1 1 353.510 3.842 20 10 FHCDMO Cc1nc(CN2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)cs1 ZINC000179875945 940071504 /nfs/dbraw/zinc/07/15/04/940071504.db2.gz RTXYTJJFZIBQMM-UHFFFAOYSA-N 1 1 370.566 3.760 20 10 FHCDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc(OC)c3)cc2F)CC1 ZINC000177316281 940108418 /nfs/dbraw/zinc/10/84/18/940108418.db2.gz PXYDMOGWTQCOKV-KRWDZBQOSA-N 1 1 371.500 3.827 20 10 FHCDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000066203298 940334837 /nfs/dbraw/zinc/33/48/37/940334837.db2.gz JHSTYFRRELZPHG-SFHVURJKSA-N 1 1 360.546 3.549 20 10 FHCDMO Cc1cc(Br)cc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)c1O ZINC001207415751 940896000 /nfs/dbraw/zinc/89/60/00/940896000.db2.gz PPFBWNXQOUQQCN-LBPRGKRZSA-N 1 1 368.193 3.616 20 10 FHCDMO Cc1cc(Br)cc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)c1O ZINC001207415751 940896003 /nfs/dbraw/zinc/89/60/03/940896003.db2.gz PPFBWNXQOUQQCN-LBPRGKRZSA-N 1 1 368.193 3.616 20 10 FHCDMO Cc1nc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)sc1C ZINC000892623336 941003229 /nfs/dbraw/zinc/00/32/29/941003229.db2.gz VOOKPICHFSEGIO-BETUJISGSA-N 1 1 363.502 3.802 20 10 FHCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@@H]2c2ccc(CNC(C)=O)o2)c1 ZINC000377641808 941865066 /nfs/dbraw/zinc/86/50/66/941865066.db2.gz DRYTZXOTGAWBAD-FZKQIMNGSA-N 1 1 358.438 3.528 20 10 FHCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc(Br)c(F)cc1O ZINC000756399689 942652298 /nfs/dbraw/zinc/65/22/98/942652298.db2.gz FHERVTMGAUYDLJ-JTQLQIEISA-N 1 1 368.250 3.606 20 10 FHCDMO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(Br)cc1O ZINC000273511715 942975390 /nfs/dbraw/zinc/97/53/90/942975390.db2.gz RVQSEKOZLPXGRM-OTYXRUKQSA-N 1 1 372.209 3.817 20 10 FHCDMO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc(Br)ccc1O ZINC000273546515 942982607 /nfs/dbraw/zinc/98/26/07/942982607.db2.gz ZKGIMWFCZOEOGS-LKFCYVNXSA-N 1 1 372.209 3.817 20 10 FHCDMO CC[C@H](CSC)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000436022571 943943539 /nfs/dbraw/zinc/94/35/39/943943539.db2.gz SLDBINSTBHUZHX-MRXNPFEDSA-N 1 1 373.566 3.666 20 10 FHCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001167745794 943980224 /nfs/dbraw/zinc/98/02/24/943980224.db2.gz IMWNPXNZIJWHSU-NRFANRHFSA-N 1 1 366.509 3.929 20 10 FHCDMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@@H]3CCCc4c3cnn4C)c2c1 ZINC000162673014 944477142 /nfs/dbraw/zinc/47/71/42/944477142.db2.gz DTZXMMVDDKHWIO-LJQANCHMSA-N 1 1 351.450 3.797 20 10 FHCDMO CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(O)c1O ZINC001271242043 945573355 /nfs/dbraw/zinc/57/33/55/945573355.db2.gz OBFPLKVAFHENQT-NJAFHUGGSA-N 1 1 360.498 3.603 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)C[C@@H]2C)C1 ZINC000444258418 946141385 /nfs/dbraw/zinc/14/13/85/946141385.db2.gz HCOYYNGKNPTUBJ-IRXDYDNUSA-N 1 1 353.510 3.665 20 10 FHCDMO COc1ccc(N2CC[NH+](CCc3c(F)cccc3Cl)CC2)cc1F ZINC001168068404 946491882 /nfs/dbraw/zinc/49/18/82/946491882.db2.gz MNYVNBWDPMHQOY-UHFFFAOYSA-N 1 1 366.839 3.992 20 10 FHCDMO COc1c(O)c(C[NH2+]Cc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000278947491 948327139 /nfs/dbraw/zinc/32/71/39/948327139.db2.gz YVMFSJMWNFATGH-UHFFFAOYSA-N 1 1 356.300 3.618 20 10 FHCDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000843775429 948456270 /nfs/dbraw/zinc/45/62/70/948456270.db2.gz CPZZLQIDONYKKP-KRWDZBQOSA-N 1 1 354.498 3.703 20 10 FHCDMO CCc1nn(C)c(Cl)c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160170686 927073330 /nfs/dbraw/zinc/07/33/30/927073330.db2.gz BPTGOQKCTPOLBH-HNNXBMFYSA-N 1 1 363.889 3.523 20 10 FHCDMO CCc1nn(C)c(Cl)c1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160170686 927073346 /nfs/dbraw/zinc/07/33/46/927073346.db2.gz BPTGOQKCTPOLBH-HNNXBMFYSA-N 1 1 363.889 3.523 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CCCO1 ZINC000160189385 927163071 /nfs/dbraw/zinc/16/30/71/927163071.db2.gz TXNUKLLDZMKEPX-HNNXBMFYSA-N 1 1 351.368 3.991 20 10 FHCDMO Cc1cc(O)c(C[N@H+](Cc2ccccc2)[C@@H](C)CN2CCOCC2)cc1C ZINC000728199326 928068228 /nfs/dbraw/zinc/06/82/28/928068228.db2.gz SSGLLUGTCJLITQ-FQEVSTJZSA-N 1 1 368.521 3.732 20 10 FHCDMO O=C(/C=C\c1ccc(Cl)nc1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000254956643 928489972 /nfs/dbraw/zinc/48/99/72/928489972.db2.gz ZIENXNNFLBLUCX-SECOEOQKSA-N 1 1 353.853 3.759 20 10 FHCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000471233285 929383394 /nfs/dbraw/zinc/38/33/94/929383394.db2.gz CVSRFZWDBDYAGE-OAQYLSRUSA-N 1 1 361.489 3.768 20 10 FHCDMO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177662863 929987467 /nfs/dbraw/zinc/98/74/67/929987467.db2.gz YDWSXDJABNXYCF-IBGZPJMESA-N 1 1 355.526 3.558 20 10 FHCDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000046751638 930330520 /nfs/dbraw/zinc/33/05/20/930330520.db2.gz PKGHFQCQOHAKDV-SFHVURJKSA-N 1 1 360.546 3.549 20 10 FHCDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001167397944 930665735 /nfs/dbraw/zinc/66/57/35/930665735.db2.gz LPLGTQPGBJOPOY-INIZCTEOSA-N 1 1 373.928 3.585 20 10 FHCDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000160546581 930852641 /nfs/dbraw/zinc/85/26/41/930852641.db2.gz QZDWMLALNCFFPV-CQSZACIVSA-N 1 1 353.445 3.632 20 10 FHCDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(OC)c(OC)c1O)CCC2 ZINC000892141392 935108092 /nfs/dbraw/zinc/10/80/92/935108092.db2.gz SQYKMSIKSLMAAH-AWEZNQCLSA-N 1 1 362.495 3.938 20 10 FHCDMO Cc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cn1 ZINC000582883333 936256159 /nfs/dbraw/zinc/25/61/59/936256159.db2.gz AMLOLHSZOORLKS-UHFFFAOYSA-N 1 1 362.477 3.750 20 10 FHCDMO COc1cnccc1[C@H](C)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000782545625 939014138 /nfs/dbraw/zinc/01/41/38/939014138.db2.gz ROUPWTHOEGSRGR-NSHDSACASA-N 1 1 351.244 3.718 20 10 FHCDMO COc1ccccc1C[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000179588580 939889281 /nfs/dbraw/zinc/88/92/81/939889281.db2.gz FZJNNQQQJLNPTA-UHFFFAOYSA-N 1 1 366.255 3.804 20 10 FHCDMO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)c1ccc(F)cc1O ZINC000310654266 940310032 /nfs/dbraw/zinc/31/00/32/940310032.db2.gz SUSFOHXCMROJMB-KCQAQPDRSA-N 1 1 352.450 3.970 20 10 FHCDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000160376700 940822465 /nfs/dbraw/zinc/82/24/65/940822465.db2.gz DPUUGLUUNOMOTH-UHFFFAOYSA-N 1 1 370.493 3.563 20 10 FHCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000782841818 941107409 /nfs/dbraw/zinc/10/74/09/941107409.db2.gz GXHBWOYJPCMVEG-OAHLLOKOSA-N 1 1 353.397 3.518 20 10 FHCDMO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000729286618 941707961 /nfs/dbraw/zinc/70/79/61/941707961.db2.gz DGCXBJRNYMSGQJ-SFHVURJKSA-N 1 1 353.510 3.899 20 10 FHCDMO CC[N@@H+](Cc1cc(OC)ccc1O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000180582077 942387811 /nfs/dbraw/zinc/38/78/11/942387811.db2.gz ZSAXJZMYSREDHQ-LJQANCHMSA-N 1 1 354.494 3.745 20 10 FHCDMO CC[N@H+](Cc1cc(OC)ccc1O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000180582077 942387813 /nfs/dbraw/zinc/38/78/13/942387813.db2.gz ZSAXJZMYSREDHQ-LJQANCHMSA-N 1 1 354.494 3.745 20 10 FHCDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)c1 ZINC000273378265 942944143 /nfs/dbraw/zinc/94/41/43/942944143.db2.gz HRECDCAEXSWLPE-DJJJIMSYSA-N 1 1 355.413 3.714 20 10 FHCDMO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc(Br)c(F)cc1O ZINC000756461960 943008792 /nfs/dbraw/zinc/00/87/92/943008792.db2.gz WDMNFMDKUDUYMF-JDNHERCYSA-N 1 1 372.209 3.817 20 10 FHCDMO COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1OC ZINC000271763643 943046578 /nfs/dbraw/zinc/04/65/78/943046578.db2.gz ZQAQBOKOSQCYDV-KRWDZBQOSA-N 1 1 367.449 3.633 20 10 FHCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1OC ZINC000271763643 943046587 /nfs/dbraw/zinc/04/65/87/943046587.db2.gz ZQAQBOKOSQCYDV-KRWDZBQOSA-N 1 1 367.449 3.633 20 10 FHCDMO Cc1cccc([C@H](C[NH2+][C@H](C)c2ccc(F)cc2O)N2CCOCC2)c1 ZINC000185011394 943082071 /nfs/dbraw/zinc/08/20/71/943082071.db2.gz YFBSCBCGZKHNAC-UZLBHIALSA-N 1 1 358.457 3.564 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H]3CCC[C@@H]3C2)C1 ZINC000435814493 943771527 /nfs/dbraw/zinc/77/15/27/943771527.db2.gz WCUKKCJRLWFBEA-QZTJIDSGSA-N 1 1 365.521 3.666 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC=CCC2)C1 ZINC000435860521 943814042 /nfs/dbraw/zinc/81/40/42/943814042.db2.gz PDYUWJRGVYVEBS-QGZVFWFLSA-N 1 1 351.494 3.633 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000436447223 944323710 /nfs/dbraw/zinc/32/37/10/944323710.db2.gz AQZFJYPCNQDKRD-QGZVFWFLSA-N 1 1 353.510 3.666 20 10 FHCDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000517674870 944482426 /nfs/dbraw/zinc/48/24/26/944482426.db2.gz CJAAPMACVVNVGB-LJQANCHMSA-N 1 1 371.525 3.509 20 10 FHCDMO CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(O)c1O ZINC001271242045 945573656 /nfs/dbraw/zinc/57/36/56/945573656.db2.gz OBFPLKVAFHENQT-SZMVWBNQSA-N 1 1 360.498 3.603 20 10 FHCDMO COC(=O)c1c(C[NH2+][C@H]2CCCc3cccnc32)c2cc(F)ccc2n1C ZINC000897072380 946570337 /nfs/dbraw/zinc/57/03/37/946570337.db2.gz ZYUDRMSPGDKNBW-KRWDZBQOSA-N 1 1 367.424 3.666 20 10 FHCDMO COc1c(O)c(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] ZINC000278928090 948162059 /nfs/dbraw/zinc/16/20/59/948162059.db2.gz VTDVWCJOYNRDAU-CYBMUJFWSA-N 1 1 360.410 3.947 20 10 FHCDMO CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825429250 608550076 /nfs/dbraw/zinc/55/00/76/608550076.db2.gz ZFQPAROGCAZPOM-OAHLLOKOSA-N 1 1 351.454 3.772 20 10 FHCDMO Oc1ccccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)C1CCCC1 ZINC000826511105 608695715 /nfs/dbraw/zinc/69/57/15/608695715.db2.gz BZUHWCKPPWTRJW-UHFFFAOYSA-N 1 1 355.467 3.579 20 10 FHCDMO Oc1ccccc1C[N@H+](Cc1ncccc1C(F)(F)F)C[C@H]1CCCO1 ZINC000160172484 927092283 /nfs/dbraw/zinc/09/22/83/927092283.db2.gz SNTSVMQHWJVCCN-OAHLLOKOSA-N 1 1 366.383 3.987 20 10 FHCDMO CC[C@H]([NH2+][C@H](c1nccn1C)c1cccc(OC)c1)c1ccccc1O ZINC000155045745 937281077 /nfs/dbraw/zinc/28/10/77/937281077.db2.gz LBFGCCPUZKBOMZ-ICSRJNTNSA-N 1 1 351.450 3.965 20 10 FHCDMO CC[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1OC)c1ccccc1O ZINC000155046250 937281457 /nfs/dbraw/zinc/28/14/57/937281457.db2.gz KNJAUBIMVIGDPU-XLIONFOSSA-N 1 1 351.450 3.965 20 10 FHCDMO O=C(Cc1ccccc1)OCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC001167353015 930244956 /nfs/dbraw/zinc/24/49/56/930244956.db2.gz BQLJEZOTYZFKMD-UHFFFAOYSA-N 1 1 353.462 3.923 20 10 FHCDMO COc1cc(Cl)cc(C[NH+]2CCN(c3ccccc3F)CC2)c1O ZINC000325829258 930447305 /nfs/dbraw/zinc/44/73/05/930447305.db2.gz TZUNSAIXRXURJC-UHFFFAOYSA-N 1 1 350.821 3.516 20 10 FHCDMO CN1CCN(c2ccc(CNc3ccc([C@@H]4CCC[NH2+]C4)cc3)cc2)CC1 ZINC001167441868 931461410 /nfs/dbraw/zinc/46/14/10/931461410.db2.gz XPARZEVLRBFMLY-OAQYLSRUSA-N 1 1 364.537 3.518 20 10 FHCDMO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1O ZINC000160904699 932099117 /nfs/dbraw/zinc/09/91/17/932099117.db2.gz ZNSGNFLXQBJXCC-UHFFFAOYSA-N 1 1 369.248 3.778 20 10 FHCDMO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1O ZINC000160904699 932099123 /nfs/dbraw/zinc/09/91/23/932099123.db2.gz ZNSGNFLXQBJXCC-UHFFFAOYSA-N 1 1 369.248 3.778 20 10 FHCDMO COc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(O)c1OC ZINC000891577632 932784275 /nfs/dbraw/zinc/78/42/75/932784275.db2.gz DHXKILAWUIYTAO-HNNXBMFYSA-N 1 1 368.433 3.930 20 10 FHCDMO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(O)c1OC ZINC000891636164 932898474 /nfs/dbraw/zinc/89/84/74/932898474.db2.gz XMCRQYHBEIHDQF-QGZVFWFLSA-N 1 1 363.841 3.636 20 10 FHCDMO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c(O)c1OC ZINC000891636164 932898477 /nfs/dbraw/zinc/89/84/77/932898477.db2.gz XMCRQYHBEIHDQF-QGZVFWFLSA-N 1 1 363.841 3.636 20 10 FHCDMO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1O ZINC000276992451 934428017 /nfs/dbraw/zinc/42/80/17/934428017.db2.gz SSKDWOVASAPSOP-KRWDZBQOSA-N 1 1 357.454 3.705 20 10 FHCDMO Cc1cccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1O ZINC000276992451 934428020 /nfs/dbraw/zinc/42/80/20/934428020.db2.gz SSKDWOVASAPSOP-KRWDZBQOSA-N 1 1 357.454 3.705 20 10 FHCDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)C[C@@H]1C ZINC000472228386 935771772 /nfs/dbraw/zinc/77/17/72/935771772.db2.gz DNLJGFHUGPTNKI-RDJZCZTQSA-N 1 1 356.514 3.501 20 10 FHCDMO CC1(O)CC[NH+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000255673832 939081067 /nfs/dbraw/zinc/08/10/67/939081067.db2.gz NAPSDJHKWIGDOR-UHFFFAOYSA-N 1 1 352.438 3.887 20 10 FHCDMO COc1cc(Br)cc(C[N@@H+](C)Cc2scnc2C)c1O ZINC000179425995 939161370 /nfs/dbraw/zinc/16/13/70/939161370.db2.gz FQLXPPFAKOFKNA-UHFFFAOYSA-N 1 1 357.273 3.560 20 10 FHCDMO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179475113 939172470 /nfs/dbraw/zinc/17/24/70/939172470.db2.gz NVSRKFJRVCBHJE-TZIWHRDSSA-N 1 1 367.493 3.759 20 10 FHCDMO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179558416 939886174 /nfs/dbraw/zinc/88/61/74/939886174.db2.gz CHMQDRNVTXFGLX-UHFFFAOYSA-N 1 1 365.260 3.657 20 10 FHCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H]2c2cccn2C)c1O ZINC000179704827 939924769 /nfs/dbraw/zinc/92/47/69/939924769.db2.gz LCPNTNVUXCSLEJ-HNNXBMFYSA-N 1 1 365.271 3.839 20 10 FHCDMO CC[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(Br)ccc1O ZINC000180221364 940839249 /nfs/dbraw/zinc/83/92/49/940839249.db2.gz PFHSIYXVTVQGAJ-UHFFFAOYSA-N 1 1 352.276 3.954 20 10 FHCDMO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000311770342 941380197 /nfs/dbraw/zinc/38/01/97/941380197.db2.gz JHBZHWQMOQIKLA-VGSWGCGISA-N 1 1 354.494 3.964 20 10 FHCDMO CC[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc(F)cc1O ZINC000796666175 941790502 /nfs/dbraw/zinc/79/05/02/941790502.db2.gz MVYABCGXNYIMNV-DLBZAZTESA-N 1 1 364.486 3.707 20 10 FHCDMO CC[C@H](c1ccccc1O)[N@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000377693513 941907725 /nfs/dbraw/zinc/90/77/25/941907725.db2.gz GSPOGRPMQYILRO-CVEARBPZSA-N 1 1 365.437 3.911 20 10 FHCDMO C[C@@H]([NH2+]C[C@@H]1CSCCN1Cc1ccccc1)c1ccc(F)cc1O ZINC000760015615 942073051 /nfs/dbraw/zinc/07/30/51/942073051.db2.gz DXYPBKZTTLQDJI-CRAIPNDOSA-N 1 1 360.498 3.800 20 10 FHCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000180532057 942379797 /nfs/dbraw/zinc/37/97/97/942379797.db2.gz IZACASABOBISLN-SFHVURJKSA-N 1 1 367.367 3.993 20 10 FHCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000180532057 942379802 /nfs/dbraw/zinc/37/98/02/942379802.db2.gz IZACASABOBISLN-SFHVURJKSA-N 1 1 367.367 3.993 20 10 FHCDMO C[C@@H](C(=O)NCc1cccs1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386866 942527764 /nfs/dbraw/zinc/52/77/64/942527764.db2.gz OZIWRIURDZWAPE-KRWDZBQOSA-N 1 1 371.550 3.875 20 10 FHCDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(C)c2O)CC1 ZINC000182197485 942689744 /nfs/dbraw/zinc/68/97/44/942689744.db2.gz FZRUSPKWMYFTEP-QGZVFWFLSA-N 1 1 371.500 3.832 20 10 FHCDMO C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])C[NH+]1CCCCC1 ZINC000756434155 942908018 /nfs/dbraw/zinc/90/80/18/942908018.db2.gz IRXWFCKLFYGNMD-KBPBESRZSA-N 1 1 355.320 3.927 20 10 FHCDMO Cc1ccc([C@@H](C)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c(O)c1C ZINC000273350632 942937941 /nfs/dbraw/zinc/93/79/41/942937941.db2.gz BPBDQHVQWZAGGF-UZLBHIALSA-N 1 1 367.493 3.632 20 10 FHCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000273482542 942967986 /nfs/dbraw/zinc/96/79/86/942967986.db2.gz MKAKRLCMVSXVCI-TWOQFEAHSA-N 1 1 369.461 3.997 20 10 FHCDMO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1cc(Br)ccc1O ZINC000273546526 942982950 /nfs/dbraw/zinc/98/29/50/942982950.db2.gz ZKGIMWFCZOEOGS-YMTOWFKASA-N 1 1 372.209 3.817 20 10 FHCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000272979032 943254286 /nfs/dbraw/zinc/25/42/86/943254286.db2.gz QECJKUKUMNRUKL-YDGUKXNOSA-N 1 1 365.882 3.836 20 10 FHCDMO COC(=O)C[N@H+](CC[C@H]1CCCC1(F)F)Cc1cc(Cl)ccc1O ZINC001167742398 943415279 /nfs/dbraw/zinc/41/52/79/943415279.db2.gz ZSAAAKPOGOGKLB-CYBMUJFWSA-N 1 1 361.816 3.846 20 10 FHCDMO COC(=O)C[N@@H+](CC[C@H]1CCCC1(F)F)Cc1cc(Cl)ccc1O ZINC001167742398 943415282 /nfs/dbraw/zinc/41/52/82/943415282.db2.gz ZSAAAKPOGOGKLB-CYBMUJFWSA-N 1 1 361.816 3.846 20 10 FHCDMO COc1cc(C[N@H+](C)Cc2cc(C)cc(Br)c2O)ccc1O ZINC000781895535 943685944 /nfs/dbraw/zinc/68/59/44/943685944.db2.gz BJFWAWYHAGCMOG-UHFFFAOYSA-N 1 1 366.255 3.809 20 10 FHCDMO COc1cc(C[N@@H+](C)Cc2cc(C)cc(Br)c2O)ccc1O ZINC000781895535 943685952 /nfs/dbraw/zinc/68/59/52/943685952.db2.gz BJFWAWYHAGCMOG-UHFFFAOYSA-N 1 1 366.255 3.809 20 10 FHCDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)CC2CC2)C1 ZINC000435875111 943828362 /nfs/dbraw/zinc/82/83/62/943828362.db2.gz BHIDVQBMOLCICE-MRXNPFEDSA-N 1 1 353.510 3.713 20 10 FHCDMO CC[C@@H](CSC)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000436022565 943943613 /nfs/dbraw/zinc/94/36/13/943943613.db2.gz SLDBINSTBHUZHX-INIZCTEOSA-N 1 1 373.566 3.666 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@@H](C)C2)C1 ZINC000436016624 943955944 /nfs/dbraw/zinc/95/59/44/943955944.db2.gz SFPGOONDCBUWKR-SJORKVTESA-N 1 1 353.510 3.713 20 10 FHCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000781919575 944392613 /nfs/dbraw/zinc/39/26/13/944392613.db2.gz DZSKZFIYVRRPDJ-MRXNPFEDSA-N 1 1 354.288 3.854 20 10 FHCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000781919575 944392618 /nfs/dbraw/zinc/39/26/18/944392618.db2.gz DZSKZFIYVRRPDJ-MRXNPFEDSA-N 1 1 354.288 3.854 20 10 FHCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000781919575 944392624 /nfs/dbraw/zinc/39/26/24/944392624.db2.gz DZSKZFIYVRRPDJ-MRXNPFEDSA-N 1 1 354.288 3.854 20 10 FHCDMO CN(C[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1)C(=O)OC(C)(C)C ZINC000729465965 944413726 /nfs/dbraw/zinc/41/37/26/944413726.db2.gz IUHUBWKJCKQIGN-HNNXBMFYSA-N 1 1 371.481 3.629 20 10 FHCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2ncc(Cl)cn2)C1 ZINC000301492060 945813818 /nfs/dbraw/zinc/81/38/18/945813818.db2.gz OVAUMPQSWMJMIH-CQSZACIVSA-N 1 1 353.253 3.566 20 10 FHCDMO C[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000894956106 946678468 /nfs/dbraw/zinc/67/84/68/946678468.db2.gz JBQWPSGBEHPOSH-UHFFFAOYSA-N 1 1 352.347 3.519 20 10 FHCDMO CC(C)(C)c1cnc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000279136045 948542295 /nfs/dbraw/zinc/54/22/95/948542295.db2.gz NJGYVOLRTRLQLQ-UHFFFAOYSA-N 1 1 363.502 3.706 20 10 FHCDMO COc1cccc(C[N@H+](Cc2cccc(OC)c2O)C[C@H]2CCCO2)c1 ZINC000013993773 220102086 /nfs/dbraw/zinc/10/20/86/220102086.db2.gz VMUJLBGIHHJTGY-LJQANCHMSA-N 1 1 357.450 3.591 20 10 FHCDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160190563 927163600 /nfs/dbraw/zinc/16/36/00/927163600.db2.gz QKQDLSGVHHNOJE-MRXNPFEDSA-N 1 1 358.526 3.645 20 10 FHCDMO CCOc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC ZINC000160204443 927268124 /nfs/dbraw/zinc/26/81/24/927268124.db2.gz MPKROFLROUMFMX-IBGZPJMESA-N 1 1 371.477 3.981 20 10 FHCDMO CCOc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1OC ZINC000160204591 927268368 /nfs/dbraw/zinc/26/83/68/927268368.db2.gz MPKROFLROUMFMX-LJQANCHMSA-N 1 1 371.477 3.981 20 10 FHCDMO CC[C@H]([NH2+][C@H](c1nccn1C)c1ccc(OC)cc1)c1ccccc1O ZINC000155047220 937281386 /nfs/dbraw/zinc/28/13/86/937281386.db2.gz ZKJMCONZUQCJKC-ICSRJNTNSA-N 1 1 351.450 3.965 20 10 FHCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000471233284 929383988 /nfs/dbraw/zinc/38/39/88/929383988.db2.gz CVSRFZWDBDYAGE-NRFANRHFSA-N 1 1 361.489 3.768 20 10 FHCDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000160511665 930726927 /nfs/dbraw/zinc/72/69/27/930726927.db2.gz TUQISWSVWNDSLG-HNNXBMFYSA-N 1 1 359.466 3.729 20 10 FHCDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000050901715 931809502 /nfs/dbraw/zinc/80/95/02/931809502.db2.gz LDNDJCKQNGVNOL-KRWDZBQOSA-N 1 1 370.493 3.682 20 10 FHCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157068573 931815843 /nfs/dbraw/zinc/81/58/43/931815843.db2.gz IKAPNQRGIPEGSZ-OAHLLOKOSA-N 1 1 371.437 3.848 20 10 FHCDMO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000891524023 932701396 /nfs/dbraw/zinc/70/13/96/932701396.db2.gz GKMNCHYGRBXPML-UHFFFAOYSA-N 1 1 356.514 3.549 20 10 FHCDMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1O ZINC000276992454 934428119 /nfs/dbraw/zinc/42/81/19/934428119.db2.gz SSKDWOVASAPSOP-QGZVFWFLSA-N 1 1 357.454 3.705 20 10 FHCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1O ZINC000276992454 934428122 /nfs/dbraw/zinc/42/81/22/934428122.db2.gz SSKDWOVASAPSOP-QGZVFWFLSA-N 1 1 357.454 3.705 20 10 FHCDMO c1cc2n(c1)CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)[C@H]2c1ccccc1 ZINC000158677718 935901974 /nfs/dbraw/zinc/90/19/74/935901974.db2.gz ZQWSBFHDVJRDAO-DEOSSOPVSA-N 1 1 373.500 3.930 20 10 FHCDMO c1cc2n(c1)CC[N@H+](Cc1ccc(N3CCOCC3)cc1)[C@H]2c1ccccc1 ZINC000158677718 935901978 /nfs/dbraw/zinc/90/19/78/935901978.db2.gz ZQWSBFHDVJRDAO-DEOSSOPVSA-N 1 1 373.500 3.930 20 10 FHCDMO CCCC[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)OC ZINC000135199621 935961622 /nfs/dbraw/zinc/96/16/22/935961622.db2.gz MEHYPULDQDLDKQ-KRWDZBQOSA-N 1 1 370.440 3.578 20 10 FHCDMO CCOc1cccc(C[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)C)c1O ZINC000161734883 938273201 /nfs/dbraw/zinc/27/32/01/938273201.db2.gz BRRCQPHTVQGIQU-UHFFFAOYSA-N 1 1 360.429 3.779 20 10 FHCDMO COc1c(O)c(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000278528267 938506528 /nfs/dbraw/zinc/50/65/28/938506528.db2.gz UMXNDRZGNJHGTC-CQSZACIVSA-N 1 1 371.437 3.760 20 10 FHCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)cc1OC ZINC000158846073 938895253 /nfs/dbraw/zinc/89/52/53/938895253.db2.gz AVUKFEMEFVMMQC-UHFFFAOYSA-N 1 1 371.355 3.940 20 10 FHCDMO CC[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc(F)cc1O ZINC000796665428 939133347 /nfs/dbraw/zinc/13/33/47/939133347.db2.gz IILTZGHAWHJGNY-SFHVURJKSA-N 1 1 350.478 3.607 20 10 FHCDMO CCc1oc(C(=O)OC)cc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000177153392 939970787 /nfs/dbraw/zinc/97/07/87/939970787.db2.gz KRHZYMKWOUVRNH-KRWDZBQOSA-N 1 1 373.449 3.515 20 10 FHCDMO CCc1cc(C[NH+]2CCN(C3CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000177172860 939994737 /nfs/dbraw/zinc/99/47/37/939994737.db2.gz YNXLDIRUZRYYMH-UHFFFAOYSA-N 1 1 360.542 3.549 20 10 FHCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CC([NH+]2CCCCC2)C1 ZINC000376489542 941079009 /nfs/dbraw/zinc/07/90/09/941079009.db2.gz CJMWUQFJOJTPRE-UHFFFAOYSA-N 1 1 372.296 3.515 20 10 FHCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000782841813 941107347 /nfs/dbraw/zinc/10/73/47/941107347.db2.gz GXHBWOYJPCMVEG-HNNXBMFYSA-N 1 1 353.397 3.518 20 10 FHCDMO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000311770337 941380286 /nfs/dbraw/zinc/38/02/86/941380286.db2.gz JHBZHWQMOQIKLA-VGOFRKELSA-N 1 1 354.494 3.964 20 10 FHCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@H](N(C)Cc3ccccn3)CC2)c1 ZINC000377705654 941915703 /nfs/dbraw/zinc/91/57/03/941915703.db2.gz XSMCPAAADSBTFT-HKUYNNGSSA-N 1 1 369.509 3.843 20 10 FHCDMO Cc1cc(O)c(C[N@H+](C)C2CCN(CCc3ccncc3)CC2)cc1C ZINC000377925682 942070988 /nfs/dbraw/zinc/07/09/88/942070988.db2.gz VXGUPPGFIUXYSC-UHFFFAOYSA-N 1 1 353.510 3.543 20 10 FHCDMO C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571599 942245530 /nfs/dbraw/zinc/24/55/30/942245530.db2.gz GHKHXSIHZDVYQW-SFHVURJKSA-N 1 1 357.542 3.946 20 10 FHCDMO Cc1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000015571566 942245983 /nfs/dbraw/zinc/24/59/83/942245983.db2.gz YZQSKLZCHVSCMP-UHFFFAOYSA-N 1 1 365.521 3.734 20 10 FHCDMO Cc1ccc(CNC(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000015571566 942245990 /nfs/dbraw/zinc/24/59/90/942245990.db2.gz YZQSKLZCHVSCMP-UHFFFAOYSA-N 1 1 365.521 3.734 20 10 FHCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](n3ccc(C(F)(F)F)n3)C1)CCC2 ZINC000181466694 942551646 /nfs/dbraw/zinc/55/16/46/942551646.db2.gz XEURUKYWKGBVHU-MRXNPFEDSA-N 1 1 365.399 3.933 20 10 FHCDMO Oc1c(F)cccc1C[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000378499558 942830721 /nfs/dbraw/zinc/83/07/21/942830721.db2.gz UKDSJSWRFRRUMY-MRXNPFEDSA-N 1 1 370.472 3.619 20 10 FHCDMO Cc1ncc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(F)cc3O)[C@H](C)C2)s1 ZINC000363861476 942873355 /nfs/dbraw/zinc/87/33/55/942873355.db2.gz WTXSHKUQMTZCQH-VBHSOAQHSA-N 1 1 363.502 3.857 20 10 FHCDMO CCOCc1cc(C[NH2+][C@H](c2cnn(C)c2)c2ccccc2)ccc1OC ZINC000378652575 943003204 /nfs/dbraw/zinc/00/32/04/943003204.db2.gz VIQZLYIDIZVQEH-QFIPXVFZSA-N 1 1 365.477 3.844 20 10 FHCDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894592985 944306316 /nfs/dbraw/zinc/30/63/16/944306316.db2.gz NRIFTOHLOAYZFF-LBPRGKRZSA-N 1 1 362.376 3.820 20 10 FHCDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894592985 944306323 /nfs/dbraw/zinc/30/63/23/944306323.db2.gz NRIFTOHLOAYZFF-LBPRGKRZSA-N 1 1 362.376 3.820 20 10 FHCDMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000124017763 945003444 /nfs/dbraw/zinc/00/34/44/945003444.db2.gz JRVNICYJGMCLSR-CQSZACIVSA-N 1 1 363.820 3.581 20 10 FHCDMO COc1cc(Br)cc(C[N@@H+]2CCc3ccsc3C2)c1O ZINC000127048023 945390499 /nfs/dbraw/zinc/39/04/99/945390499.db2.gz CJYDGWVZUZVUQM-UHFFFAOYSA-N 1 1 354.269 3.783 20 10 FHCDMO COc1cc(Br)cc(C[N@H+]2CCc3ccsc3C2)c1O ZINC000127048023 945390510 /nfs/dbraw/zinc/39/05/10/945390510.db2.gz CJYDGWVZUZVUQM-UHFFFAOYSA-N 1 1 354.269 3.783 20 10 FHCDMO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cc(C)cc(OC)c3O)n2)c1 ZINC000894543174 945971485 /nfs/dbraw/zinc/97/14/85/945971485.db2.gz NVTDCKAPMOCLAT-CYBMUJFWSA-N 1 1 369.421 3.619 20 10 FHCDMO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000165208673 947727701 /nfs/dbraw/zinc/72/77/01/947727701.db2.gz AKELBDWFKNENFD-GJZGRUSLSA-N 1 1 361.511 3.538 20 10 FHCDMO COC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)CC1 ZINC000053897968 947735149 /nfs/dbraw/zinc/73/51/49/947735149.db2.gz CDVNOFGOSREZKT-UHFFFAOYSA-N 1 1 358.457 3.835 20 10 FHCDMO CCN(CC)c1ccc(CN(C)C(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000729507285 948239059 /nfs/dbraw/zinc/23/90/59/948239059.db2.gz ZFDMFUAONBXLEX-UHFFFAOYSA-N 1 1 360.546 3.549 20 10 FHCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000472273639 936312491 /nfs/dbraw/zinc/31/24/91/936312491.db2.gz CCKDJCVFVXAKFP-MSOLQXFVSA-N 1 1 368.525 3.643 20 10 FHCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(F)(F)F)cn1 ZINC000278102370 937173117 /nfs/dbraw/zinc/17/31/17/937173117.db2.gz KINYOHURAZSOHP-UHFFFAOYSA-N 1 1 365.399 3.569 20 10 FHCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1O ZINC000175740699 928033676 /nfs/dbraw/zinc/03/36/76/928033676.db2.gz PIKKNEMUEVLULW-KRWDZBQOSA-N 1 1 357.425 3.773 20 10 FHCDMO CC[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1OC)c1ccccc1O ZINC000155046356 937281530 /nfs/dbraw/zinc/28/15/30/937281530.db2.gz KNJAUBIMVIGDPU-FXAWDEMLSA-N 1 1 351.450 3.965 20 10 FHCDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)o1 ZINC000134265015 930862398 /nfs/dbraw/zinc/86/23/98/930862398.db2.gz AYLGHNBMCVVNIZ-ZDUSSCGKSA-N 1 1 369.248 3.686 20 10 FHCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc(Cl)o1 ZINC000134265015 930862405 /nfs/dbraw/zinc/86/24/05/930862405.db2.gz AYLGHNBMCVVNIZ-ZDUSSCGKSA-N 1 1 369.248 3.686 20 10 FHCDMO CCN(C)c1ccc(C[N@@H+](CC)[C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC001167478132 932477158 /nfs/dbraw/zinc/47/71/58/932477158.db2.gz LDSFNSIGSUPLSK-NRFANRHFSA-N 1 1 351.494 3.770 20 10 FHCDMO CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(Br)ccc1[O-] ZINC000155678600 932600717 /nfs/dbraw/zinc/60/07/17/932600717.db2.gz ITQVBPPHLIDQDM-INIZCTEOSA-N 1 1 355.320 3.927 20 10 FHCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2N2CCCC2)c(O)c1OC ZINC000891526749 932703765 /nfs/dbraw/zinc/70/37/65/932703765.db2.gz OZTKTLKJGJBRPT-UHFFFAOYSA-N 1 1 356.466 3.642 20 10 FHCDMO Oc1c(Br)cccc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000101590493 932988577 /nfs/dbraw/zinc/98/85/77/932988577.db2.gz DVAIBPRURBHPOJ-AWEZNQCLSA-N 1 1 356.647 3.631 20 10 FHCDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093593319 934156086 /nfs/dbraw/zinc/15/60/86/934156086.db2.gz RKMFLBIIJWVZKD-SFHVURJKSA-N 1 1 370.468 3.660 20 10 FHCDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2O)s1 ZINC000892102651 935000824 /nfs/dbraw/zinc/00/08/24/935000824.db2.gz FKEGAUZCVHQMRB-GFCCVEGCSA-N 1 1 350.484 3.930 20 10 FHCDMO COc1c(O)c(C[NH+]2CCC(OC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000278299615 938293313 /nfs/dbraw/zinc/29/33/13/938293313.db2.gz VPPJLGVFLAERDP-UHFFFAOYSA-N 1 1 364.442 3.623 20 10 FHCDMO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708535197 938806100 /nfs/dbraw/zinc/80/61/00/938806100.db2.gz JJUUSSGPEOKYKI-KGLIPLIRSA-N 1 1 356.413 3.596 20 10 FHCDMO CC(C)(C)c1cc(C[NH2+][C@@H](C(N)=O)c2ccccn2)c(O)c(C(C)(C)C)c1 ZINC000295041493 945240442 /nfs/dbraw/zinc/24/04/42/945240442.db2.gz DXGHLUISCDKTRI-GOSISDBHSA-N 1 1 369.509 3.698 20 10 FHCDMO Oc1ccccc1C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000179552977 939887419 /nfs/dbraw/zinc/88/74/19/939887419.db2.gz WKXUZUIORPNEAC-UHFFFAOYSA-N 1 1 371.790 3.782 20 10 FHCDMO C[C@H]([NH2+]Cc1csc(C(F)(F)F)n1)c1ccc(N2CCOCC2)cc1 ZINC000892731753 941489009 /nfs/dbraw/zinc/48/90/09/941489009.db2.gz XNYIFEDQNRCGFU-LBPRGKRZSA-N 1 1 371.428 3.849 20 10 FHCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000377693514 941907790 /nfs/dbraw/zinc/90/77/90/941907790.db2.gz GSPOGRPMQYILRO-HOTGVXAUSA-N 1 1 365.437 3.911 20 10 FHCDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)c1 ZINC000363864714 942890180 /nfs/dbraw/zinc/89/01/80/942890180.db2.gz MLDNAWSNIXJWPC-RNODOKPDSA-N 1 1 355.413 3.714 20 10 FHCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)c1 ZINC000273393141 942947151 /nfs/dbraw/zinc/94/71/51/942947151.db2.gz LHJDMEXIYIHVAY-AWEZNQCLSA-N 1 1 370.449 3.624 20 10 FHCDMO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)CC1CCS(=O)(=O)CC1 ZINC000271793535 943051511 /nfs/dbraw/zinc/05/15/11/943051511.db2.gz ARNIVDVKRQSLMD-QGZVFWFLSA-N 1 1 373.518 3.780 20 10 FHCDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)CC2CC2)C1 ZINC000435875110 943828077 /nfs/dbraw/zinc/82/80/77/943828077.db2.gz BHIDVQBMOLCICE-INIZCTEOSA-N 1 1 353.510 3.713 20 10 FHCDMO CN(C)c1ccc(C[NH2+]Cc2cccc(O)c2Br)cc1F ZINC000838917343 943863027 /nfs/dbraw/zinc/86/30/27/943863027.db2.gz GZMMNKSMNAHAKY-UHFFFAOYSA-N 1 1 353.235 3.650 20 10 FHCDMO C[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc(N2CCOCC2)cc1 ZINC000364308744 944280931 /nfs/dbraw/zinc/28/09/31/944280931.db2.gz GMVJOSZJSIQLDB-ACJLOTCBSA-N 1 1 360.404 3.586 20 10 FHCDMO c1cc(N2CCOCC2)ccc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016674 945450232 /nfs/dbraw/zinc/45/02/32/945450232.db2.gz YHWZJFBUVSPVLX-QFIPXVFZSA-N 1 1 371.569 3.611 20 10 FHCDMO CCN(CC)c1ccc(C[N@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000159914823 945818384 /nfs/dbraw/zinc/81/83/84/945818384.db2.gz RLQMKJNVJJHBSB-UHFFFAOYSA-N 1 1 364.493 3.791 20 10 FHCDMO CCN(CC)c1ccc(C[N@@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000159914823 945818401 /nfs/dbraw/zinc/81/84/01/945818401.db2.gz RLQMKJNVJJHBSB-UHFFFAOYSA-N 1 1 364.493 3.791 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(C)(C)C2)C1 ZINC000444244749 946120778 /nfs/dbraw/zinc/12/07/78/946120778.db2.gz JOZOHGGZXBBWHP-UHFFFAOYSA-N 1 1 353.510 3.666 20 10 FHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)C[C@H]2C)C1 ZINC000444258416 946141634 /nfs/dbraw/zinc/14/16/34/946141634.db2.gz HCOYYNGKNPTUBJ-DLBZAZTESA-N 1 1 353.510 3.665 20 10 FHCDMO CCc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000108927583 946158366 /nfs/dbraw/zinc/15/83/66/946158366.db2.gz SGUZKHOVKRJAPG-GOSISDBHSA-N 1 1 372.553 3.990 20 10 FHCDMO COc1cccc(C[N@H+](Cc2cccc(OC)c2O)C[C@@H]2CCCO2)c1 ZINC000013993770 220102138 /nfs/dbraw/zinc/10/21/38/220102138.db2.gz VMUJLBGIHHJTGY-IBGZPJMESA-N 1 1 357.450 3.591 20 10 FHCDMO Cn1cc(-c2ncc(C[N@@H+](Cc3ccccc3O)C3CCCC3)cn2)cn1 ZINC000365422692 568651143 /nfs/dbraw/zinc/65/11/43/568651143.db2.gz VJZSOMDWGAXHDZ-UHFFFAOYSA-N 1 1 363.465 3.528 20 10 FHCDMO CN(c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1)C1CCCCC1 ZINC000821619468 599419864 /nfs/dbraw/zinc/41/98/64/599419864.db2.gz YLYHHOQPNIIZFI-UHFFFAOYSA-N 1 1 366.469 3.518 20 10 FHCDMO CCOc1cccc(C[N@@H+](CC)[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1O ZINC000825649668 608551219 /nfs/dbraw/zinc/55/12/19/608551219.db2.gz UTZXZEUMNCQDAR-AWEZNQCLSA-N 1 1 367.453 3.554 20 10 FHCDMO CCOc1ccc(C[N@@H+](CC)[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c(O)c1 ZINC000825639116 608551500 /nfs/dbraw/zinc/55/15/00/608551500.db2.gz RBIWPKJESANLEH-CQSZACIVSA-N 1 1 367.453 3.554 20 10 FHCDMO