smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000076067495 700222869 /nfs/dbraw/zinc/22/28/69/700222869.db2.gz MPQPSPHRNNPWPD-MOPGFXCFSA-N 1 1 363.571 3.317 20 10 FGCDMO CCC[N@H+](CCS(=O)(=O)c1cccc(OC)c1)Cc1ccccc1O ZINC000076074377 700223033 /nfs/dbraw/zinc/22/30/33/700223033.db2.gz OERQSZYVLJDYRL-UHFFFAOYSA-N 1 1 363.479 3.087 20 10 FGCDMO CCC[N@@H+](CCS(=O)(=O)c1cccc(OC)c1)Cc1ccccc1O ZINC000076074377 700223034 /nfs/dbraw/zinc/22/30/34/700223034.db2.gz OERQSZYVLJDYRL-UHFFFAOYSA-N 1 1 363.479 3.087 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NCC(C)C ZINC000076118530 700224735 /nfs/dbraw/zinc/22/47/35/700224735.db2.gz QGWDSDUGQUCVKS-GFCCVEGCSA-N 1 1 357.292 3.137 20 10 FGCDMO CCN1CCC([N@@H+](C)Cc2cc(Br)cc(OC)c2O)CC1 ZINC000125208972 700732393 /nfs/dbraw/zinc/73/23/93/700732393.db2.gz GIYLMBPEQZEKMA-UHFFFAOYSA-N 1 1 357.292 3.079 20 10 FGCDMO C[C@H](NCC[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000128227889 700772284 /nfs/dbraw/zinc/77/22/84/700772284.db2.gz WPUYYWXZOCSUBI-INIZCTEOSA-N 1 1 351.922 3.313 20 10 FGCDMO C[C@@H](CNC(=O)NCCCSc1nccs1)[N@H+]1CCC[C@@H](C)C1 ZINC000152170544 704952614 /nfs/dbraw/zinc/95/26/14/704952614.db2.gz ORSZMKXGFWSNLK-KGLIPLIRSA-N 1 1 356.561 3.045 20 10 FGCDMO COc1cc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)cc1C ZINC000159911811 705237511 /nfs/dbraw/zinc/23/75/11/705237511.db2.gz NGNVOBMGCJWHPP-UHFFFAOYSA-N 1 1 350.459 3.152 20 10 FGCDMO COCCOC[C@@H]1CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164421148 705329508 /nfs/dbraw/zinc/32/95/08/705329508.db2.gz HNVNFPCSWSVINF-OAHLLOKOSA-N 1 1 351.487 3.183 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000179883055 705719709 /nfs/dbraw/zinc/71/97/09/705719709.db2.gz CJGULJDAEMFEMW-HNNXBMFYSA-N 1 1 350.459 3.280 20 10 FGCDMO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)cn1 ZINC000189879077 712802947 /nfs/dbraw/zinc/80/29/47/712802947.db2.gz XVJUYHOCCIUYPN-INIZCTEOSA-N 1 1 361.511 3.419 20 10 FGCDMO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)cn1 ZINC000189879077 712802949 /nfs/dbraw/zinc/80/29/49/712802949.db2.gz XVJUYHOCCIUYPN-INIZCTEOSA-N 1 1 361.511 3.419 20 10 FGCDMO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000195662026 713560152 /nfs/dbraw/zinc/56/01/52/713560152.db2.gz VOSIIUIOJSYIGQ-UHFFFAOYSA-N 1 1 357.885 3.364 20 10 FGCDMO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc(Br)ccc1O)C[C@H](C)O2 ZINC000373979748 713889610 /nfs/dbraw/zinc/88/96/10/713889610.db2.gz ZAWSPNYDQDIWEL-IGCXYCKISA-N 1 1 370.287 3.313 20 10 FGCDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc(Br)ccc1O)C[C@H](C)O2 ZINC000373979748 713889613 /nfs/dbraw/zinc/88/96/13/713889613.db2.gz ZAWSPNYDQDIWEL-IGCXYCKISA-N 1 1 370.287 3.313 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164847 724397206 /nfs/dbraw/zinc/39/72/06/724397206.db2.gz ZVTUAEIFJMNFJZ-KBPBESRZSA-N 1 1 350.459 3.136 20 10 FGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000769473902 723686700 /nfs/dbraw/zinc/68/67/00/723686700.db2.gz QDZFYOGLQLXQRM-RTBURBONSA-N 1 1 350.478 3.298 20 10 FGCDMO CC[C@@H]1C[C@@H](C[N@H+](CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000780758662 724498820 /nfs/dbraw/zinc/49/88/20/724498820.db2.gz VPQUOAQHGPBLOI-XJKSGUPXSA-N 1 1 355.862 3.226 20 10 FGCDMO CC[C@@H]1C[C@@H](C[N@@H+](CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000780758662 724498822 /nfs/dbraw/zinc/49/88/22/724498822.db2.gz VPQUOAQHGPBLOI-XJKSGUPXSA-N 1 1 355.862 3.226 20 10 FGCDMO CC(C)[NH+]1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000804871593 724559641 /nfs/dbraw/zinc/55/96/41/724559641.db2.gz NQSSILAXPIALNX-UHFFFAOYSA-N 1 1 360.285 3.371 20 10 FGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1O ZINC000781919590 724612607 /nfs/dbraw/zinc/61/26/07/724612607.db2.gz FVGLDVSHRHKPQX-GOSISDBHSA-N 1 1 360.479 3.107 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCc3sccc3C2)cc1 ZINC000730430362 722468446 /nfs/dbraw/zinc/46/84/46/722468446.db2.gz OLJCRDRQUJJIEZ-UHFFFAOYSA-N 1 1 357.523 3.221 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCc3sccc3C2)cc1 ZINC000730430362 722468447 /nfs/dbraw/zinc/46/84/47/722468447.db2.gz OLJCRDRQUJJIEZ-UHFFFAOYSA-N 1 1 357.523 3.221 20 10 FGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)OCC(F)(F)F ZINC000732233086 722482902 /nfs/dbraw/zinc/48/29/02/722482902.db2.gz NYCXALGVWQVSAN-GFCCVEGCSA-N 1 1 366.767 3.299 20 10 FGCDMO CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000757673324 722978173 /nfs/dbraw/zinc/97/81/73/722978173.db2.gz CHGNZJAWRGVNRF-ZDUSSCGKSA-N 1 1 359.308 3.164 20 10 FGCDMO COCCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000759959629 723031199 /nfs/dbraw/zinc/03/11/99/723031199.db2.gz WYMNTNMSUIEXKJ-MRXNPFEDSA-N 1 1 368.905 3.189 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000790637063 723161856 /nfs/dbraw/zinc/16/18/56/723161856.db2.gz SKCOXVZYMQHKAY-UHFFFAOYSA-N 1 1 359.170 3.441 20 10 FGCDMO CN(C)c1ccc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000792833608 723372986 /nfs/dbraw/zinc/37/29/86/723372986.db2.gz UTTOYHGRFVKJFW-UHFFFAOYSA-N 1 1 366.449 3.026 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000792833608 723372990 /nfs/dbraw/zinc/37/29/90/723372990.db2.gz UTTOYHGRFVKJFW-UHFFFAOYSA-N 1 1 366.449 3.026 20 10 FGCDMO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764593845 723428479 /nfs/dbraw/zinc/42/84/79/723428479.db2.gz HQYFKLVUPWQWJU-WBVHZDCISA-N 1 1 351.922 3.312 20 10 FGCDMO CC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764593845 723428482 /nfs/dbraw/zinc/42/84/82/723428482.db2.gz HQYFKLVUPWQWJU-WBVHZDCISA-N 1 1 351.922 3.312 20 10 FGCDMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)s1 ZINC000794827997 723547985 /nfs/dbraw/zinc/54/79/85/723547985.db2.gz NPPRYBSDKNZXGV-VIFPVBQESA-N 1 1 361.435 3.376 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766584479 723582378 /nfs/dbraw/zinc/58/23/78/723582378.db2.gz UIIWHLSEZWYBAL-DZGCQCFKSA-N 1 1 360.889 3.108 20 10 FGCDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]2C1 ZINC000796030093 723618105 /nfs/dbraw/zinc/61/81/05/723618105.db2.gz XCLVDLOTVIFIBT-TXEJJXNPSA-N 1 1 370.852 3.483 20 10 FGCDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]2C1 ZINC000796030093 723618107 /nfs/dbraw/zinc/61/81/07/723618107.db2.gz XCLVDLOTVIFIBT-TXEJJXNPSA-N 1 1 370.852 3.483 20 10 FGCDMO CC[N@H+]1C[C@H](C)N(Cc2cc(Br)cc(OC)c2O)C[C@@H]1C ZINC000769466639 723686435 /nfs/dbraw/zinc/68/64/35/723686435.db2.gz OQCGKUYQRHIKLR-RYUDHWBXSA-N 1 1 357.292 3.078 20 10 FGCDMO COc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1O ZINC000769499968 723687607 /nfs/dbraw/zinc/68/76/07/723687607.db2.gz UBLCJOZTTVPTQE-UHFFFAOYSA-N 1 1 350.459 3.232 20 10 FGCDMO COc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1O ZINC000769499968 723687608 /nfs/dbraw/zinc/68/76/08/723687608.db2.gz UBLCJOZTTVPTQE-UHFFFAOYSA-N 1 1 350.459 3.232 20 10 FGCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000773759974 723821038 /nfs/dbraw/zinc/82/10/38/723821038.db2.gz CJZKBJBTXOLSPY-XIKOKIGWSA-N 1 1 362.857 3.101 20 10 FGCDMO CCOc1cccc(C[N@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000775153371 723965392 /nfs/dbraw/zinc/96/53/92/723965392.db2.gz IHPVULZFTRZPGK-HIFRSBDPSA-N 1 1 350.459 3.136 20 10 FGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(CC(=O)OC(C)C)n2)c1 ZINC000775373142 723986149 /nfs/dbraw/zinc/98/61/49/723986149.db2.gz NZDJSKGKNCONNU-LBPRGKRZSA-N 1 1 364.467 3.202 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)c1 ZINC000776692816 724170918 /nfs/dbraw/zinc/17/09/18/724170918.db2.gz DNOZLUYXADNLIW-UONOGXRCSA-N 1 1 350.459 3.231 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](C(F)(F)F)C3(CCC3)C1)[C@@H](O)CO2 ZINC000800865018 724239621 /nfs/dbraw/zinc/23/96/21/724239621.db2.gz WRABIVJPRPWDEG-GOEBONIOSA-N 1 1 357.372 3.373 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1O ZINC000785988834 724953416 /nfs/dbraw/zinc/95/34/16/724953416.db2.gz PDOKXGWWNAHMRC-MISXGVKJSA-N 1 1 358.276 3.145 20 10 FGCDMO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805183582 725055179 /nfs/dbraw/zinc/05/51/79/725055179.db2.gz DKTFBSABUKOCET-LLVKDONJSA-N 1 1 360.285 3.229 20 10 FGCDMO CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805183582 725055181 /nfs/dbraw/zinc/05/51/81/725055181.db2.gz DKTFBSABUKOCET-LLVKDONJSA-N 1 1 360.285 3.229 20 10 FGCDMO COC[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)[C@H]1CCCO1 ZINC000788619507 725076474 /nfs/dbraw/zinc/07/64/74/725076474.db2.gz OUDNTKQDOYLDBX-DYQSUWPFSA-N 1 1 362.239 3.138 20 10 FGCDMO C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788817214 725089554 /nfs/dbraw/zinc/08/95/54/725089554.db2.gz XWCMHBSHVSUIGR-CYBMUJFWSA-N 1 1 359.436 3.088 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000808420579 725200214 /nfs/dbraw/zinc/20/02/14/725200214.db2.gz JLBTZGAUSQPPFM-OAHLLOKOSA-N 1 1 350.256 3.156 20 10 FGCDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809701370 725260460 /nfs/dbraw/zinc/26/04/60/725260460.db2.gz XIPLUQOIYXVNGX-FUHWJXTLSA-N 1 1 350.478 3.178 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000809767539 725266644 /nfs/dbraw/zinc/26/66/44/725266644.db2.gz NMAVSKLBASQPBT-CJNGLKHVSA-N 1 1 353.304 3.379 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000809767539 725266645 /nfs/dbraw/zinc/26/66/45/725266645.db2.gz NMAVSKLBASQPBT-CJNGLKHVSA-N 1 1 353.304 3.379 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000809767539 725266646 /nfs/dbraw/zinc/26/66/46/725266646.db2.gz NMAVSKLBASQPBT-CJNGLKHVSA-N 1 1 353.304 3.379 20 10 FGCDMO COc1cc(Cl)cc(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1O ZINC000812778040 726809796 /nfs/dbraw/zinc/80/97/96/726809796.db2.gz GBTVLPGRHSQNMU-KRWDZBQOSA-N 1 1 362.857 3.233 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000814169330 726943944 /nfs/dbraw/zinc/94/39/44/726943944.db2.gz FAYBVLLLJHLEGD-UHFFFAOYSA-N 1 1 373.254 3.084 20 10 FGCDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000814176853 726945117 /nfs/dbraw/zinc/94/51/17/726945117.db2.gz WEXLVDJXEQSAAU-BBRMVZONSA-N 1 1 350.434 3.363 20 10 FGCDMO Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)ccc1N(C)C ZINC000815059864 727029291 /nfs/dbraw/zinc/02/92/91/727029291.db2.gz ITGUBECJNPZXHZ-HKUYNNGSSA-N 1 1 360.523 3.447 20 10 FGCDMO Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)ccc1N(C)C ZINC000815059864 727029298 /nfs/dbraw/zinc/02/92/98/727029298.db2.gz ITGUBECJNPZXHZ-HKUYNNGSSA-N 1 1 360.523 3.447 20 10 FGCDMO NC(=O)C1(c2ccccc2)CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816513222 727170162 /nfs/dbraw/zinc/17/01/62/727170162.db2.gz KFZMGSAQBIVMOE-UHFFFAOYSA-N 1 1 362.832 3.204 20 10 FGCDMO CCc1cc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2)ncn1 ZINC000816547318 727173625 /nfs/dbraw/zinc/17/36/25/727173625.db2.gz SCROXLWTJHLUSG-CQSZACIVSA-N 1 1 364.852 3.296 20 10 FGCDMO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816558663 727175867 /nfs/dbraw/zinc/17/58/67/727175867.db2.gz IKNFEWQXPPXXEA-NSHDSACASA-N 1 1 361.804 3.073 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000824181591 729322937 /nfs/dbraw/zinc/32/29/37/729322937.db2.gz TZDQMTOCCWXGOM-FQEVSTJZSA-N 1 1 358.507 3.376 20 10 FGCDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000824326960 729330664 /nfs/dbraw/zinc/33/06/64/729330664.db2.gz PSVIZVFMQKEQBI-FQEVSTJZSA-N 1 1 357.523 3.343 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1F ZINC000824654666 729353218 /nfs/dbraw/zinc/35/32/18/729353218.db2.gz PPNHKMDEMGJIGC-HLIPFELVSA-N 1 1 350.478 3.034 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCSC[C@H]2C2CC2)c1O ZINC000824914326 729364977 /nfs/dbraw/zinc/36/49/77/729364977.db2.gz PIJWFEPXZXGYMT-ZDUSSCGKSA-N 1 1 358.301 3.491 20 10 FGCDMO COc1ccc(O)c(C[N@@H+](C)C[C@H](O)c2ccccc2Br)c1 ZINC000825305533 729378031 /nfs/dbraw/zinc/37/80/31/729378031.db2.gz MOVBFGAMXAGAFV-KRWDZBQOSA-N 1 1 366.255 3.329 20 10 FGCDMO COC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000825321515 729378681 /nfs/dbraw/zinc/37/86/81/729378681.db2.gz GDZPCVHTDXDEFK-GFCCVEGCSA-N 1 1 358.276 3.412 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000825412405 729382338 /nfs/dbraw/zinc/38/23/38/729382338.db2.gz JLAGEYBLDDRNNQ-KRWDZBQOSA-N 1 1 366.230 3.387 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC000825478811 729384687 /nfs/dbraw/zinc/38/46/87/729384687.db2.gz GXDDCAZZZIRBSH-GOSISDBHSA-N 1 1 360.885 3.210 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC000825478811 729384689 /nfs/dbraw/zinc/38/46/89/729384689.db2.gz GXDDCAZZZIRBSH-GOSISDBHSA-N 1 1 360.885 3.210 20 10 FGCDMO OC[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825955367 729400897 /nfs/dbraw/zinc/40/08/97/729400897.db2.gz LGDQMQZNNBZXAN-GOSISDBHSA-N 1 1 362.267 3.291 20 10 FGCDMO COc1cc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000826065355 729404214 /nfs/dbraw/zinc/40/42/14/729404214.db2.gz XZJHWCCVAVBPIF-OAHLLOKOSA-N 1 1 369.527 3.097 20 10 FGCDMO COc1cc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000826065355 729404216 /nfs/dbraw/zinc/40/42/16/729404216.db2.gz XZJHWCCVAVBPIF-OAHLLOKOSA-N 1 1 369.527 3.097 20 10 FGCDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC000826122961 729405638 /nfs/dbraw/zinc/40/56/38/729405638.db2.gz AITYAPPMWHNHBW-HNNXBMFYSA-N 1 1 367.287 3.132 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+](C)CC2(O)CCC2)c(C)n1-c1ccc(Cl)cn1 ZINC000828867771 729448968 /nfs/dbraw/zinc/44/89/68/729448968.db2.gz GWBDPMVKQWQXDN-UHFFFAOYSA-N 1 1 361.873 3.172 20 10 FGCDMO Cc1cc(C(=O)C[N@H+](C)CC2(O)CCC2)c(C)n1-c1ccc(Cl)cn1 ZINC000828867771 729448969 /nfs/dbraw/zinc/44/89/69/729448969.db2.gz GWBDPMVKQWQXDN-UHFFFAOYSA-N 1 1 361.873 3.172 20 10 FGCDMO COc1cc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000841040018 730205294 /nfs/dbraw/zinc/20/52/94/730205294.db2.gz GSNKLCXKFWARBV-QGZVFWFLSA-N 1 1 363.889 3.213 20 10 FGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(F)c(Br)c2)cc1 ZINC000841039927 730205467 /nfs/dbraw/zinc/20/54/67/730205467.db2.gz FADAMYIGSSYKMQ-KRWDZBQOSA-N 1 1 366.278 3.444 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000841087434 730209212 /nfs/dbraw/zinc/20/92/12/730209212.db2.gz NMTMPLFWHSLBOU-CJNGLKHVSA-N 1 1 353.304 3.427 20 10 FGCDMO Fc1cc(C[N@H+]2CCSC[C@@H]2C2CCC2)ccc1N1CCOCC1 ZINC000841894619 730283798 /nfs/dbraw/zinc/28/37/98/730283798.db2.gz ZZARCQXDFYLIJO-LJQANCHMSA-N 1 1 350.503 3.380 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843126596 730588762 /nfs/dbraw/zinc/58/87/62/730588762.db2.gz LBUBYAAGNGEDOE-OLZOCXBDSA-N 1 1 353.850 3.165 20 10 FGCDMO C[N@@H+]1CCn2nc(NCc3cc(Cl)cc(Br)c3O)cc2C1 ZINC000883199679 737534707 /nfs/dbraw/zinc/53/47/07/737534707.db2.gz MOUFVFUNNOYFQB-UHFFFAOYSA-N 1 1 371.666 3.062 20 10 FGCDMO C[N@H+]1CCn2nc(NCc3cc(Cl)cc(Br)c3O)cc2C1 ZINC000883199679 737534709 /nfs/dbraw/zinc/53/47/09/737534709.db2.gz MOUFVFUNNOYFQB-UHFFFAOYSA-N 1 1 371.666 3.062 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@](O)(c3ccc(Cl)cc3)C1)OCO2 ZINC000846009558 730918066 /nfs/dbraw/zinc/91/80/66/730918066.db2.gz CWHLFPKNYQCCBI-IBGZPJMESA-N 1 1 361.825 3.258 20 10 FGCDMO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2nn(C)cc2Cl)c1O ZINC000848553990 731181035 /nfs/dbraw/zinc/18/10/35/731181035.db2.gz PTZLLBBBCFIPBL-MRVPVSSYSA-N 1 1 374.666 3.401 20 10 FGCDMO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(Br)c(F)cc1O ZINC000850520435 731369045 /nfs/dbraw/zinc/36/90/45/731369045.db2.gz BJVXHGRHQIZOIM-JVXZTZIISA-N 1 1 354.166 3.369 20 10 FGCDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1=CC(=O)CS1 ZINC000856169957 731990968 /nfs/dbraw/zinc/99/09/68/731990968.db2.gz WGPCSNQBZSZTRA-INIZCTEOSA-N 1 1 356.491 3.486 20 10 FGCDMO Cc1ccnc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)c1 ZINC000862228745 732790715 /nfs/dbraw/zinc/79/07/15/732790715.db2.gz WUGBCMQTUHKSBU-UHFFFAOYSA-N 1 1 362.271 3.180 20 10 FGCDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862236370 732792700 /nfs/dbraw/zinc/79/27/00/732792700.db2.gz AJRNURVHTAUSEQ-CQSZACIVSA-N 1 1 353.457 3.015 20 10 FGCDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862236370 732792705 /nfs/dbraw/zinc/79/27/05/732792705.db2.gz AJRNURVHTAUSEQ-CQSZACIVSA-N 1 1 353.457 3.015 20 10 FGCDMO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1c(O)cccc1Br ZINC000862250629 732798758 /nfs/dbraw/zinc/79/87/58/732798758.db2.gz MUMNPQHLHPRXHP-CQSZACIVSA-N 1 1 350.260 3.398 20 10 FGCDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1c(O)cccc1Br ZINC000862250629 732798761 /nfs/dbraw/zinc/79/87/61/732798761.db2.gz MUMNPQHLHPRXHP-CQSZACIVSA-N 1 1 350.260 3.398 20 10 FGCDMO COCCC1(NCc2ccc(N(C)C)cc2C(F)(F)F)CC[NH2+]CC1 ZINC000873224718 735740262 /nfs/dbraw/zinc/74/02/62/735740262.db2.gz GXCCQSXZFFLDDG-UHFFFAOYSA-N 1 1 359.436 3.020 20 10 FGCDMO OCC1CCN(c2ccc(C[NH2+]Cc3nc(Cl)cs3)cc2)CC1 ZINC000876965290 736168171 /nfs/dbraw/zinc/16/81/71/736168171.db2.gz GELDHRWDFXXGPZ-UHFFFAOYSA-N 1 1 351.903 3.295 20 10 FGCDMO OC1CCN(c2ccc(C[NH2+]Cc3nc(C(F)(F)F)cs3)cc2)CC1 ZINC000877057494 736182017 /nfs/dbraw/zinc/18/20/17/736182017.db2.gz GGCQJJXATMTAJN-UHFFFAOYSA-N 1 1 371.428 3.413 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645100 736698573 /nfs/dbraw/zinc/69/85/73/736698573.db2.gz AMVPIBUIHIFLFY-MRXNPFEDSA-N 1 1 363.255 3.341 20 10 FGCDMO C[NH+]1CCN(c2ccc(CNCc3ccnc(Cl)c3Cl)cc2)CC1 ZINC000883283911 737547130 /nfs/dbraw/zinc/54/71/30/737547130.db2.gz YJNKASBFPKDGBK-UHFFFAOYSA-N 1 1 365.308 3.430 20 10 FGCDMO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)n1 ZINC000884472773 737666288 /nfs/dbraw/zinc/66/62/88/737666288.db2.gz HURJBAMQGHOBDN-GUYCJALGSA-N 1 1 360.479 3.038 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1c(O)cccc1F ZINC000886510126 739263604 /nfs/dbraw/zinc/26/36/04/739263604.db2.gz VGICEXUUBWPASW-QWHCGFSZSA-N 1 1 366.458 3.193 20 10 FGCDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)C1 ZINC000893962666 742219335 /nfs/dbraw/zinc/21/93/35/742219335.db2.gz RBYFKTBXEDIMBY-ZDUSSCGKSA-N 1 1 352.425 3.141 20 10 FGCDMO Cc1nc([C@@H]2CCN(Cc3cc(Cl)cc(Br)c3[O-])C2)no1 ZINC000896229212 742518079 /nfs/dbraw/zinc/51/80/79/742518079.db2.gz ARDSOHLKEOZDPA-SECBINFHSA-N 1 1 372.650 3.489 20 10 FGCDMO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000896968611 742624179 /nfs/dbraw/zinc/62/41/79/742624179.db2.gz IWZHKRCNDNROAX-SNVBAGLBSA-N 1 1 352.843 3.278 20 10 FGCDMO C[C@@H]1C[C@H]([NH2+]Cc2ncc(Br)cn2)c2c1c(F)ccc2O ZINC000903321072 743837404 /nfs/dbraw/zinc/83/74/04/743837404.db2.gz WUNWCNFOMLJWPX-KCJUWKMLSA-N 1 1 352.207 3.422 20 10 FGCDMO Cc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000072952764 494289870 /nfs/dbraw/zinc/28/98/70/494289870.db2.gz JEZMEZHGNXIRGW-GOSISDBHSA-N 1 1 354.450 3.320 20 10 FGCDMO Cc1ccccc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000072952764 494289874 /nfs/dbraw/zinc/28/98/74/494289874.db2.gz JEZMEZHGNXIRGW-GOSISDBHSA-N 1 1 354.450 3.320 20 10 FGCDMO COc1cccc(C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c1O ZINC000092939032 494792177 /nfs/dbraw/zinc/79/21/77/494792177.db2.gz LZZQBJQRKMMGKR-UHFFFAOYSA-N 1 1 356.422 3.108 20 10 FGCDMO C[C@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1cccs1 ZINC000096971111 495017797 /nfs/dbraw/zinc/01/77/97/495017797.db2.gz SDSMBTQPYICTDR-RDJZCZTQSA-N 1 1 374.506 3.312 20 10 FGCDMO C[C@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1cccs1 ZINC000096971111 495017799 /nfs/dbraw/zinc/01/77/99/495017799.db2.gz SDSMBTQPYICTDR-RDJZCZTQSA-N 1 1 374.506 3.312 20 10 FGCDMO Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c(O)c1O ZINC000179463076 495601187 /nfs/dbraw/zinc/60/11/87/495601187.db2.gz LOOJMVVGDDKKCD-UHFFFAOYSA-N 1 1 358.463 3.207 20 10 FGCDMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc(OC)c1O ZINC000179575500 495646806 /nfs/dbraw/zinc/64/68/06/495646806.db2.gz JEEFDQVBACYNJM-UHFFFAOYSA-N 1 1 350.365 3.140 20 10 FGCDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc(OC)c1O ZINC000179575500 495646813 /nfs/dbraw/zinc/64/68/13/495646813.db2.gz JEEFDQVBACYNJM-UHFFFAOYSA-N 1 1 350.365 3.140 20 10 FGCDMO COc1ccc(O)c(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000179766864 495726803 /nfs/dbraw/zinc/72/68/03/495726803.db2.gz QSYZMSONHJLSGY-UHFFFAOYSA-N 1 1 350.459 3.232 20 10 FGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000179882745 495769755 /nfs/dbraw/zinc/76/97/55/495769755.db2.gz RQQQHKOORUQETB-LBPRGKRZSA-N 1 1 368.886 3.194 20 10 FGCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)c1O ZINC000175632345 496473905 /nfs/dbraw/zinc/47/39/05/496473905.db2.gz MFPSORPZXFQMRE-UHFFFAOYSA-N 1 1 374.412 3.030 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000273483304 496819148 /nfs/dbraw/zinc/81/91/48/496819148.db2.gz MOVUAANONOTMFR-OCDDVZBJSA-N 1 1 361.463 3.328 20 10 FGCDMO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1Cl ZINC000278551821 497150914 /nfs/dbraw/zinc/15/09/14/497150914.db2.gz ZFAVQSOSDDBDKS-UHFFFAOYSA-N 1 1 352.774 3.261 20 10 FGCDMO COc1c([O-])c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)ccc1[N+](=O)[O-] ZINC000278831451 497235956 /nfs/dbraw/zinc/23/59/56/497235956.db2.gz ITEHJKKDEMQJJB-UHFFFAOYSA-N 1 1 373.453 3.439 20 10 FGCDMO COc1c(O)c(C[NH2+]Cc2cccc(OCC(F)F)c2)ccc1[N+](=O)[O-] ZINC000278904253 497261260 /nfs/dbraw/zinc/26/12/60/497261260.db2.gz RQEXWRXEUREZOJ-UHFFFAOYSA-N 1 1 368.336 3.243 20 10 FGCDMO C[C@H]1CN(c2ccc(C[NH2+]Cc3c(Cl)cnn3C)cc2F)C[C@H](C)O1 ZINC000275468982 497336604 /nfs/dbraw/zinc/33/66/04/497336604.db2.gz IOGPYMMLNXLXDV-STQMWFEESA-N 1 1 366.868 3.116 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000271754751 497439760 /nfs/dbraw/zinc/43/97/60/497439760.db2.gz CPBOMBPOULOZPQ-XJKSGUPXSA-N 1 1 350.459 3.136 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000271754747 497439874 /nfs/dbraw/zinc/43/98/74/497439874.db2.gz CPBOMBPOULOZPQ-CJNGLKHVSA-N 1 1 350.459 3.136 20 10 FGCDMO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272521912 497650737 /nfs/dbraw/zinc/65/07/37/497650737.db2.gz NSSYCBXLNKIFPB-MJGOQNOKSA-N 1 1 367.493 3.444 20 10 FGCDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295856244 497832104 /nfs/dbraw/zinc/83/21/04/497832104.db2.gz BONKDQHBZACGQH-QMMLZNLJSA-N 1 1 372.509 3.075 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccc(CNC(C)=O)o2)c1 ZINC000364259644 497866610 /nfs/dbraw/zinc/86/66/10/497866610.db2.gz HFJVFKLPHWIQDZ-SFHVURJKSA-N 1 1 358.438 3.357 20 10 FGCDMO Nc1nc(Cl)cc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000301209397 498001201 /nfs/dbraw/zinc/00/12/01/498001201.db2.gz SUKDBYMZDDYFAG-GFCCVEGCSA-N 1 1 368.268 3.148 20 10 FGCDMO CCN1CCC[C@@H](C[N@@H+](C)Cc2cccc(OC)c2O)[C@@H]1c1cnn(C)c1 ZINC000364717806 498110672 /nfs/dbraw/zinc/11/06/72/498110672.db2.gz RGGGIHRVNMXNPD-OXJNMPFZSA-N 1 1 372.513 3.039 20 10 FGCDMO CC[C@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1O ZINC000285973397 498257162 /nfs/dbraw/zinc/25/71/62/498257162.db2.gz HFZJKDNIAXWOKZ-SJCJKPOMSA-N 1 1 366.458 3.241 20 10 FGCDMO C[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(N2CCCCCC2)cc1 ZINC000365157328 498327058 /nfs/dbraw/zinc/32/70/58/498327058.db2.gz RNHYTQYYGRFQCX-MRXNPFEDSA-N 1 1 355.486 3.040 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000293951988 498542088 /nfs/dbraw/zinc/54/20/88/498542088.db2.gz PDUKXIIPLHXTCU-GFCCVEGCSA-N 1 1 366.820 3.285 20 10 FGCDMO COc1cccc(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1O ZINC000291064817 498779883 /nfs/dbraw/zinc/77/98/83/498779883.db2.gz QCGYNWNIHVXOOX-UHFFFAOYSA-N 1 1 362.470 3.376 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](N4CCCC4)C[C@@H]3C)cc2)CC1 ZINC000295272089 498962663 /nfs/dbraw/zinc/96/26/63/498962663.db2.gz JPWVSQURICNSQY-RXVVDRJESA-N 1 1 357.542 3.360 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@@H](N4CCCC4)C[C@@H]3C)cc2)CC1 ZINC000295272089 498962669 /nfs/dbraw/zinc/96/26/69/498962669.db2.gz JPWVSQURICNSQY-RXVVDRJESA-N 1 1 357.542 3.360 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)ccc1[N+](=O)[O-] ZINC000367691093 499224949 /nfs/dbraw/zinc/22/49/49/499224949.db2.gz VZCFMQVNEGFYCL-NVXWUHKLSA-N 1 1 358.394 3.319 20 10 FGCDMO OC[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1c1ccccc1 ZINC000367721118 499228068 /nfs/dbraw/zinc/22/80/68/499228068.db2.gz NJWREJOQOAJJDT-GGAORHGYSA-N 1 1 366.505 3.121 20 10 FGCDMO COc1ccc(N2CCC([N@H+](C)Cc3nnc(C4CCC4)n3C)CC2)cc1 ZINC000367781732 499233259 /nfs/dbraw/zinc/23/32/59/499233259.db2.gz CJTRBONUILBQTJ-UHFFFAOYSA-N 1 1 369.513 3.192 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3nnc(C4CCC4)n3C)CC2)cc1 ZINC000367781732 499233261 /nfs/dbraw/zinc/23/32/61/499233261.db2.gz CJTRBONUILBQTJ-UHFFFAOYSA-N 1 1 369.513 3.192 20 10 FGCDMO Cc1nc(CN2CCC[C@@H]([N@@H+](C)Cc3c(O)ccc4ccccc43)C2)no1 ZINC000371375951 499316802 /nfs/dbraw/zinc/31/68/02/499316802.db2.gz WQNCUUHBEMKUDL-QGZVFWFLSA-N 1 1 366.465 3.333 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCCN(Cc3noc(C(C)C)n3)CC2)c1 ZINC000371383861 499318503 /nfs/dbraw/zinc/31/85/03/499318503.db2.gz PUZPOBNDOOMUEQ-UHFFFAOYSA-N 1 1 374.485 3.005 20 10 FGCDMO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c1O ZINC000372364230 499425227 /nfs/dbraw/zinc/42/52/27/499425227.db2.gz FQCSDIKALGKBAX-MUJYYYPQSA-N 1 1 362.470 3.421 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608682 499479620 /nfs/dbraw/zinc/47/96/20/499479620.db2.gz LKFBIHAXUZEYCX-OLZOCXBDSA-N 1 1 361.467 3.269 20 10 FGCDMO CC[C@H](c1ccccc1O)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000377626108 499712373 /nfs/dbraw/zinc/71/23/73/499712373.db2.gz MXJZIRJVTLSVOR-YQQAZPJKSA-N 1 1 362.449 3.079 20 10 FGCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCCN(Cc2ncc(Cl)n2C)CC1 ZINC000377691377 499720764 /nfs/dbraw/zinc/72/07/64/499720764.db2.gz DAGVYNLHLLVLDN-INIZCTEOSA-N 1 1 362.905 3.438 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCCO2)C1 ZINC000435522816 500988161 /nfs/dbraw/zinc/98/81/61/500988161.db2.gz PQLSNYOQXWWTRA-KRWDZBQOSA-N 1 1 369.509 3.093 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)OC[C@@H]2C)C1 ZINC000435614512 501002643 /nfs/dbraw/zinc/00/26/43/501002643.db2.gz FDTCPSBJENHOTJ-IRXDYDNUSA-N 1 1 369.509 3.044 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000472229123 502276930 /nfs/dbraw/zinc/27/69/30/502276930.db2.gz KATMPDPTIRVJRT-SJLPKXTDSA-N 1 1 354.498 3.112 20 10 FGCDMO CC[N@H+]1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)[C@H](C)C1 ZINC000553315681 504880801 /nfs/dbraw/zinc/88/08/01/504880801.db2.gz SPQPYJCPGHMSAG-OAHLLOKOSA-N 1 1 357.498 3.071 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](F)C2)C1 ZINC000567244216 505405893 /nfs/dbraw/zinc/40/58/93/505405893.db2.gz VWNKYTXWNXLTLN-INIZCTEOSA-N 1 1 357.473 3.368 20 10 FGCDMO CCC[N@@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1O ZINC000069009971 695946391 /nfs/dbraw/zinc/94/63/91/695946391.db2.gz VXTKBCVERKYPHU-UHFFFAOYSA-N 1 1 362.495 3.055 20 10 FGCDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cccc(Br)c1O ZINC000121281266 700669299 /nfs/dbraw/zinc/66/92/99/700669299.db2.gz JGJNLKFUAYBZIA-UHFFFAOYSA-N 1 1 357.292 3.185 20 10 FGCDMO O=C(CCC(F)(F)F)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134258619 704818015 /nfs/dbraw/zinc/81/80/15/704818015.db2.gz MGOKGYDNBNKLOJ-ZDUSSCGKSA-N 1 1 364.795 3.469 20 10 FGCDMO O=C(Cc1ccsc1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134264140 704818273 /nfs/dbraw/zinc/81/82/73/704818273.db2.gz ANWTZKDKZVKXJS-INIZCTEOSA-N 1 1 364.898 3.430 20 10 FGCDMO Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000134263051 704818473 /nfs/dbraw/zinc/81/84/73/704818473.db2.gz JMAMQNOZGOSGFV-KRWDZBQOSA-N 1 1 359.857 3.143 20 10 FGCDMO O=C(CCc1ccoc1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134266543 704818530 /nfs/dbraw/zinc/81/85/30/704818530.db2.gz XPJIAUZCZOQLFP-KRWDZBQOSA-N 1 1 362.857 3.352 20 10 FGCDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000153280079 704991548 /nfs/dbraw/zinc/99/15/48/704991548.db2.gz QHJRWKKDUCEHRU-CQSZACIVSA-N 1 1 356.561 3.045 20 10 FGCDMO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000159918007 705238147 /nfs/dbraw/zinc/23/81/47/705238147.db2.gz COLJFNFIDORQQO-OAHLLOKOSA-N 1 1 350.459 3.198 20 10 FGCDMO C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)CC(C)(C)S(C)(=O)=O ZINC000161019291 705266893 /nfs/dbraw/zinc/26/68/93/705266893.db2.gz KVOFHZDJFSOTDZ-UHFFFAOYSA-N 1 1 365.495 3.272 20 10 FGCDMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000179962435 705722339 /nfs/dbraw/zinc/72/23/39/705722339.db2.gz CEXFTWCGTGANBW-GFCCVEGCSA-N 1 1 356.260 3.318 20 10 FGCDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000179962435 705722344 /nfs/dbraw/zinc/72/23/44/705722344.db2.gz CEXFTWCGTGANBW-GFCCVEGCSA-N 1 1 356.260 3.318 20 10 FGCDMO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cccc(Br)c1O)C2 ZINC000779191474 724398889 /nfs/dbraw/zinc/39/88/89/724398889.db2.gz AAKLEDIDIXTIIT-SFHVURJKSA-N 1 1 373.250 3.251 20 10 FGCDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cccc(Br)c1O)C2 ZINC000779191474 724398892 /nfs/dbraw/zinc/39/88/92/724398892.db2.gz AAKLEDIDIXTIIT-SFHVURJKSA-N 1 1 373.250 3.251 20 10 FGCDMO COc1cccc(O)c1C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000769528418 723689043 /nfs/dbraw/zinc/68/90/43/723689043.db2.gz QBFJCQAQBICKKL-HNNXBMFYSA-N 1 1 366.255 3.329 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]CC(=O)Nc2cccc(F)c2)c1 ZINC000781631996 724580394 /nfs/dbraw/zinc/58/03/94/724580394.db2.gz UTFVPRFVSNXVCJ-UHFFFAOYSA-N 1 1 367.218 3.331 20 10 FGCDMO CCCNC(=O)C1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781895457 724608629 /nfs/dbraw/zinc/60/86/29/724608629.db2.gz SQXPKIXZFAGPID-UHFFFAOYSA-N 1 1 369.303 3.201 20 10 FGCDMO Brc1cnc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000782352982 724657102 /nfs/dbraw/zinc/65/71/02/724657102.db2.gz YAQPDZWZUPPZEV-UHFFFAOYSA-N 1 1 368.300 3.032 20 10 FGCDMO COc1ccc(N2CCC[N@@H+](CC[S@@](=O)c3ccccc3)CC2)cc1 ZINC000729473445 722459792 /nfs/dbraw/zinc/45/97/92/722459792.db2.gz DMRUGCQTLFZBBZ-RUZDIDTESA-N 1 1 358.507 3.015 20 10 FGCDMO O=C(Nc1cccnc1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000731851995 722478573 /nfs/dbraw/zinc/47/85/73/722478573.db2.gz JCGXHKVFOPEUJT-INIZCTEOSA-N 1 1 360.845 3.227 20 10 FGCDMO COc1ccc([C@H](CNC(=O)C2=CC(=O)CS2)[NH+]2CCCCC2)cc1 ZINC000731866844 722478735 /nfs/dbraw/zinc/47/87/35/722478735.db2.gz RXDGENHVXGIPFA-KRWDZBQOSA-N 1 1 360.479 3.419 20 10 FGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2ncnc3[nH]ccc32)C1 ZINC000732049032 722481007 /nfs/dbraw/zinc/48/10/07/722481007.db2.gz LUOLGICTBLZHLI-AWEZNQCLSA-N 1 1 357.845 3.393 20 10 FGCDMO O=C1[C@H]([N@@H+](Cc2ccccc2O)C2CCCC2)CCN1CC(F)(F)F ZINC000732204546 722482386 /nfs/dbraw/zinc/48/23/86/722482386.db2.gz MNDSVDYZCGWKJB-OAHLLOKOSA-N 1 1 356.388 3.300 20 10 FGCDMO COc1ccc(O)c(C[N@@H+](CCO)Cc2cc(Br)cs2)c1 ZINC000756123738 722961100 /nfs/dbraw/zinc/96/11/00/722961100.db2.gz XWXCSFJWJMIAFK-UHFFFAOYSA-N 1 1 372.284 3.219 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cc(F)cc(F)c1O ZINC000756711146 722968970 /nfs/dbraw/zinc/96/89/70/722968970.db2.gz IRIPEAUXIBDRRW-BMIGLBTASA-N 1 1 350.340 3.266 20 10 FGCDMO CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000757673834 722978193 /nfs/dbraw/zinc/97/81/93/722978193.db2.gz LHWUWBAOGVIBHR-ZDUSSCGKSA-N 1 1 359.308 3.164 20 10 FGCDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCSc2nccs2)C[C@H]1C ZINC000759601307 723011283 /nfs/dbraw/zinc/01/12/83/723011283.db2.gz HFESDBGAKJATPA-ZIAGYGMSSA-N 1 1 356.561 3.140 20 10 FGCDMO COc1cccc(C[N@@H+](CCO)Cc2ccc(Br)s2)c1O ZINC000792194874 723320517 /nfs/dbraw/zinc/32/05/17/723320517.db2.gz ARBSMWCIUJUVGY-UHFFFAOYSA-N 1 1 372.284 3.219 20 10 FGCDMO CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(F)F ZINC000792237447 723323438 /nfs/dbraw/zinc/32/34/38/723323438.db2.gz DVHCACOQYGJICC-ZDUSSCGKSA-N 1 1 360.832 3.418 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c(C(F)(F)F)c1 ZINC000793181946 723407981 /nfs/dbraw/zinc/40/79/81/723407981.db2.gz FRPXRWMRWQIFIR-UHFFFAOYSA-N 1 1 351.372 3.430 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)c(C(F)(F)F)c1 ZINC000793181946 723407985 /nfs/dbraw/zinc/40/79/85/723407985.db2.gz FRPXRWMRWQIFIR-UHFFFAOYSA-N 1 1 351.372 3.430 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769424054 723685282 /nfs/dbraw/zinc/68/52/82/723685282.db2.gz QOUKIMDLUWZQEA-UKRRQHHQSA-N 1 1 350.459 3.136 20 10 FGCDMO CCOc1ccc(C[N@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)c(O)c1 ZINC000769514242 723688472 /nfs/dbraw/zinc/68/84/72/723688472.db2.gz HTOSDONXLWDWNH-CQSZACIVSA-N 1 1 360.420 3.497 20 10 FGCDMO CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000773406405 723784212 /nfs/dbraw/zinc/78/42/12/723784212.db2.gz CQAZDJAGJKWBQU-IKGGRYGDSA-N 1 1 350.890 3.418 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000775014713 723951765 /nfs/dbraw/zinc/95/17/65/723951765.db2.gz ALCMDHBUYYZSET-SUMWQHHRSA-N 1 1 352.431 3.240 20 10 FGCDMO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1(CC)CC ZINC000775028633 723953786 /nfs/dbraw/zinc/95/37/86/723953786.db2.gz GJCRCJJWLLBVJV-LSDHHAIUSA-N 1 1 352.431 3.382 20 10 FGCDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000775634214 724013446 /nfs/dbraw/zinc/01/34/46/724013446.db2.gz PALYHGCWHKVVSZ-GFCCVEGCSA-N 1 1 356.260 3.238 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1O ZINC000785988836 724953464 /nfs/dbraw/zinc/95/34/64/724953464.db2.gz PDOKXGWWNAHMRC-MJVIPROJSA-N 1 1 358.276 3.145 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000787025223 725013669 /nfs/dbraw/zinc/01/36/69/725013669.db2.gz JHYOULTVEGHNEQ-BTDLBPIBSA-N 1 1 367.804 3.356 20 10 FGCDMO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C)n1-c1cccc(Cl)c1 ZINC000787640844 725033889 /nfs/dbraw/zinc/03/38/89/725033889.db2.gz ZYYGJZXLJZYUHP-IYBDPMFKSA-N 1 1 357.885 3.381 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000805748120 725090993 /nfs/dbraw/zinc/09/09/93/725090993.db2.gz LHGUCQNOZHYODZ-ZJUUUORDSA-N 1 1 352.232 3.365 20 10 FGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c1O ZINC000808675085 725212856 /nfs/dbraw/zinc/21/28/56/725212856.db2.gz VXWHSDRTWMTYLK-YJBOKZPZSA-N 1 1 353.938 3.277 20 10 FGCDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000809691941 725259327 /nfs/dbraw/zinc/25/93/27/725259327.db2.gz UEJAYSINANFMHL-CQSZACIVSA-N 1 1 356.850 3.155 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](CCN(C)C)CC(C)C)c1O ZINC000809730049 725263245 /nfs/dbraw/zinc/26/32/45/725263245.db2.gz YBRCCUJHJQQJKE-UHFFFAOYSA-N 1 1 359.308 3.183 20 10 FGCDMO COc1cc(Br)cc(CN(CC[NH+](C)C)CC(C)C)c1O ZINC000809730049 725263246 /nfs/dbraw/zinc/26/32/46/725263246.db2.gz YBRCCUJHJQQJKE-UHFFFAOYSA-N 1 1 359.308 3.183 20 10 FGCDMO C[NH+](C)CCN(Cc1ccco1)Cc1cccc(Br)c1O ZINC000809746462 725264542 /nfs/dbraw/zinc/26/45/42/725264542.db2.gz UAXIIWCQCCMVLR-UHFFFAOYSA-N 1 1 353.260 3.312 20 10 FGCDMO C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000809755614 725265491 /nfs/dbraw/zinc/26/54/91/725265491.db2.gz MPVLBCYFMLJZBZ-ZDUSSCGKSA-N 1 1 353.850 3.118 20 10 FGCDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)c1 ZINC000811519564 725372297 /nfs/dbraw/zinc/37/22/97/725372297.db2.gz AVQKOKOAPMKIRL-OAHLLOKOSA-N 1 1 350.260 3.415 20 10 FGCDMO O=C1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CN1c1ccccc1F ZINC000812783095 726811435 /nfs/dbraw/zinc/81/14/35/726811435.db2.gz YHQCFJLXCDYRRN-JTQLQIEISA-N 1 1 352.768 3.219 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1O ZINC000814178445 726945503 /nfs/dbraw/zinc/94/55/03/726945503.db2.gz PZQGHYNRJYOYHW-AWEZNQCLSA-N 1 1 370.287 3.412 20 10 FGCDMO Cc1cc(O)c(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)cc1C(C)C ZINC000814232885 726949255 /nfs/dbraw/zinc/94/92/55/726949255.db2.gz PZNWAMJRQBRNMF-UHFFFAOYSA-N 1 1 362.495 3.103 20 10 FGCDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)cc1C(C)C ZINC000814232885 726949257 /nfs/dbraw/zinc/94/92/57/726949257.db2.gz PZNWAMJRQBRNMF-UHFFFAOYSA-N 1 1 362.495 3.103 20 10 FGCDMO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000814302715 726955107 /nfs/dbraw/zinc/95/51/07/726955107.db2.gz ZQEKFCGYDNQEOO-SNVBAGLBSA-N 1 1 352.232 3.194 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000816531136 727172300 /nfs/dbraw/zinc/17/23/00/727172300.db2.gz HELNMWBAAKNPPT-UHFFFAOYSA-N 1 1 356.869 3.309 20 10 FGCDMO CC(C)(CO)[C@@H]([NH2+]Cc1cccc(Br)c1O)c1cccnc1 ZINC000816637771 727182969 /nfs/dbraw/zinc/18/29/69/727182969.db2.gz OCSAMGSJGMOHNQ-INIZCTEOSA-N 1 1 365.271 3.399 20 10 FGCDMO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817890463 727287244 /nfs/dbraw/zinc/28/72/44/727287244.db2.gz YGZLMQDRDIYJLE-UTKZUKDTSA-N 1 1 355.551 3.288 20 10 FGCDMO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(N2CCSCC2)cc1 ZINC000817890463 727287245 /nfs/dbraw/zinc/28/72/45/727287245.db2.gz YGZLMQDRDIYJLE-UTKZUKDTSA-N 1 1 355.551 3.288 20 10 FGCDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997724 727290983 /nfs/dbraw/zinc/29/09/83/727290983.db2.gz VJIARSIHRHVJRJ-AWEZNQCLSA-N 1 1 360.527 3.166 20 10 FGCDMO Oc1ccc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)cc1 ZINC000824484258 729342265 /nfs/dbraw/zinc/34/22/65/729342265.db2.gz ADYNQHMDCJYAQA-UHFFFAOYSA-N 1 1 363.255 3.183 20 10 FGCDMO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1ccc(C(F)(F)F)cc1O ZINC000824515826 729344867 /nfs/dbraw/zinc/34/48/67/729344867.db2.gz IPFNQKRPJAZMRC-IUODEOHRSA-N 1 1 353.344 3.073 20 10 FGCDMO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cccc(Br)c1O ZINC000825710350 729392237 /nfs/dbraw/zinc/39/22/37/729392237.db2.gz MPAKTRFEFILMBZ-UHFFFAOYSA-N 1 1 364.165 3.197 20 10 FGCDMO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825710455 729392463 /nfs/dbraw/zinc/39/24/63/729392463.db2.gz QCSXPVNOCATTBB-MFKMUULPSA-N 1 1 368.193 3.290 20 10 FGCDMO COc1ccnc(C[NH2+]Cc2cc(Br)cc(C)c2O)c1F ZINC000827260946 729427741 /nfs/dbraw/zinc/42/77/41/729427741.db2.gz SOPTZYVMPWVDBT-UHFFFAOYSA-N 1 1 355.207 3.296 20 10 FGCDMO Cc1cc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)ccc1N1CCCCC1 ZINC000827820598 729435519 /nfs/dbraw/zinc/43/55/19/729435519.db2.gz CUHCGPQFLXPATF-DLBZAZTESA-N 1 1 352.544 3.239 20 10 FGCDMO Cc1cc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)ccc1N1CCCCC1 ZINC000827820598 729435520 /nfs/dbraw/zinc/43/55/20/729435520.db2.gz CUHCGPQFLXPATF-DLBZAZTESA-N 1 1 352.544 3.239 20 10 FGCDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(OC)ccc3O)C2)s1 ZINC000827943351 729437522 /nfs/dbraw/zinc/43/75/22/729437522.db2.gz WGHHSAYPTXQWIB-LBPRGKRZSA-N 1 1 362.451 3.024 20 10 FGCDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccccc3O)CC2)cs1 ZINC000827978493 729438036 /nfs/dbraw/zinc/43/80/36/729438036.db2.gz VMBFXBCKYIJTHU-ZDUSSCGKSA-N 1 1 359.495 3.247 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2CCO)c(C)n1-c1ccc(Cl)cn1 ZINC000828987496 729450742 /nfs/dbraw/zinc/45/07/42/729450742.db2.gz FLWMEBTUDJKARP-MRXNPFEDSA-N 1 1 361.873 3.172 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2CCO)c(C)n1-c1ccc(Cl)cn1 ZINC000828987496 729450743 /nfs/dbraw/zinc/45/07/43/729450743.db2.gz FLWMEBTUDJKARP-MRXNPFEDSA-N 1 1 361.873 3.172 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829328225 729474343 /nfs/dbraw/zinc/47/43/43/729474343.db2.gz SHEKCMZXOFMKPP-QGZVFWFLSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829328225 729474356 /nfs/dbraw/zinc/47/43/56/729474356.db2.gz SHEKCMZXOFMKPP-QGZVFWFLSA-N 1 1 361.873 3.028 20 10 FGCDMO CCCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000835024924 729850252 /nfs/dbraw/zinc/85/02/52/729850252.db2.gz DPZVWCGDIYGLSC-OVKVCFKUSA-N 1 1 350.528 3.055 20 10 FGCDMO CCCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000835024924 729850256 /nfs/dbraw/zinc/85/02/56/729850256.db2.gz DPZVWCGDIYGLSC-OVKVCFKUSA-N 1 1 350.528 3.055 20 10 FGCDMO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCCCO1 ZINC000837483480 730034351 /nfs/dbraw/zinc/03/43/51/730034351.db2.gz AVYSHEAFOKBLRD-LPHOPBHVSA-N 1 1 366.889 3.085 20 10 FGCDMO Cc1[nH+]ccn1CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000837602131 730046053 /nfs/dbraw/zinc/04/60/53/730046053.db2.gz MAIFIZWQAUJZND-AWEZNQCLSA-N 1 1 360.889 3.398 20 10 FGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cnc(-c3ccncc3)s2)cc1 ZINC000841046297 730206131 /nfs/dbraw/zinc/20/61/31/730206131.db2.gz ZLPGRLWDGFEVMV-SFHVURJKSA-N 1 1 353.495 3.061 20 10 FGCDMO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)[C@H](C)C1 ZINC000846145886 730932085 /nfs/dbraw/zinc/93/20/85/730932085.db2.gz PLRBRXBNBISLHM-RYRKJORJSA-N 1 1 350.503 3.188 20 10 FGCDMO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)[nH]1 ZINC000848534994 731177149 /nfs/dbraw/zinc/17/71/49/731177149.db2.gz AALQVUZAPFFKLU-DTWKUNHWSA-N 1 1 369.263 3.256 20 10 FGCDMO O=C1NCCCN1c1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000850414720 731354216 /nfs/dbraw/zinc/35/42/16/731354216.db2.gz WAKNGDRFJDXTTB-UHFFFAOYSA-N 1 1 363.820 3.394 20 10 FGCDMO CCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000850557113 731372911 /nfs/dbraw/zinc/37/29/11/731372911.db2.gz UOWXDJJBHJCMKM-HOTGVXAUSA-N 1 1 351.922 3.312 20 10 FGCDMO CCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000850557113 731372912 /nfs/dbraw/zinc/37/29/12/731372912.db2.gz UOWXDJJBHJCMKM-HOTGVXAUSA-N 1 1 351.922 3.312 20 10 FGCDMO CCCC[N@@H+](CCn1cnc(Br)n1)Cc1ccccc1O ZINC000852017811 731533453 /nfs/dbraw/zinc/53/34/53/731533453.db2.gz GQBWIKLZFDLQDY-UHFFFAOYSA-N 1 1 353.264 3.049 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1O ZINC000852564224 731601486 /nfs/dbraw/zinc/60/14/86/731601486.db2.gz YIXFKUYWTOXJGN-RDTXWAMCSA-N 1 1 361.873 3.483 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cn1ncc(Cl)c1C1CC1 ZINC000853488785 731712299 /nfs/dbraw/zinc/71/22/99/731712299.db2.gz SGXKTUASLBZQDN-UHFFFAOYSA-N 1 1 360.889 3.340 20 10 FGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cn1ncc(Cl)c1C1CC1 ZINC000853488785 731712300 /nfs/dbraw/zinc/71/23/00/731712300.db2.gz SGXKTUASLBZQDN-UHFFFAOYSA-N 1 1 360.889 3.340 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000858100344 732180649 /nfs/dbraw/zinc/18/06/49/732180649.db2.gz DWAGKHGEMMOWSI-UHFFFAOYSA-N 1 1 351.292 3.319 20 10 FGCDMO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)n1 ZINC000858590529 732229327 /nfs/dbraw/zinc/22/93/27/732229327.db2.gz ZHDVNPHYQRFOBA-RGZBUGHASA-N 1 1 357.332 3.283 20 10 FGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1F ZINC000862240334 732795711 /nfs/dbraw/zinc/79/57/11/732795711.db2.gz KEJWXSXXBLJWLX-HNNXBMFYSA-N 1 1 351.441 3.008 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1F ZINC000862240334 732795716 /nfs/dbraw/zinc/79/57/16/732795716.db2.gz KEJWXSXXBLJWLX-HNNXBMFYSA-N 1 1 351.441 3.008 20 10 FGCDMO COc1ccc([C@@H](CO)[N@H+](C)Cc2c(O)cccc2Br)cc1 ZINC000862244457 732796826 /nfs/dbraw/zinc/79/68/26/732796826.db2.gz BCNIOAQMQFXWMQ-MRXNPFEDSA-N 1 1 366.255 3.329 20 10 FGCDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2c(O)cccc2Br)cc1 ZINC000862244457 732796831 /nfs/dbraw/zinc/79/68/31/732796831.db2.gz BCNIOAQMQFXWMQ-MRXNPFEDSA-N 1 1 366.255 3.329 20 10 FGCDMO Cc1cccc(C[N@H+](C)CCOCCN(C)C(=O)OC(C)(C)C)c1O ZINC000862489685 732841165 /nfs/dbraw/zinc/84/11/65/732841165.db2.gz TWUFGKJHNYTSIB-UHFFFAOYSA-N 1 1 352.475 3.016 20 10 FGCDMO COc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(O)c(C(C)(C)C)c1 ZINC000862526817 732843490 /nfs/dbraw/zinc/84/34/90/732843490.db2.gz FBMBNBPLXFYOSH-JRLRZGBRSA-N 1 1 351.512 3.184 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000862547651 732848958 /nfs/dbraw/zinc/84/89/58/732848958.db2.gz LJBZRFHPSPYFBX-OAHLLOKOSA-N 1 1 353.821 3.242 20 10 FGCDMO O=c1[nH]nc(Cl)cc1N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000872448372 735632421 /nfs/dbraw/zinc/63/24/21/735632421.db2.gz DCWWUHPTODNYFK-GFCCVEGCSA-N 1 1 369.252 3.271 20 10 FGCDMO CCC[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccccc1O ZINC000876655098 736127657 /nfs/dbraw/zinc/12/76/57/736127657.db2.gz WETOHENKNJVBHI-UHFFFAOYSA-N 1 1 368.886 3.105 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC(Cc3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000877674235 736703073 /nfs/dbraw/zinc/70/30/73/736703073.db2.gz OMLKNYBQTQRJCY-UHFFFAOYSA-N 1 1 363.439 3.220 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c1 ZINC000886331400 739245589 /nfs/dbraw/zinc/24/55/89/739245589.db2.gz FRRBBDRXHUEZGK-IFIJOSMWSA-N 1 1 370.287 3.279 20 10 FGCDMO C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)c1c(O)cccc1F ZINC000886629700 739277336 /nfs/dbraw/zinc/27/73/36/739277336.db2.gz LTPBDVDWGFBWOQ-CYBMUJFWSA-N 1 1 353.434 3.320 20 10 FGCDMO Cc1ncoc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000894188239 742250683 /nfs/dbraw/zinc/25/06/83/742250683.db2.gz SVJPFAMAUXAILR-UHFFFAOYSA-N 1 1 355.360 3.128 20 10 FGCDMO Cc1nc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)sc1C ZINC000894844018 742342093 /nfs/dbraw/zinc/34/20/93/742342093.db2.gz UPMBTINQEDYDIB-UHFFFAOYSA-N 1 1 353.438 3.165 20 10 FGCDMO Cc1nc([C@@H]2CC[N@H+](Cc3cc(C)cc(Br)c3O)C2)no1 ZINC000896238106 742519760 /nfs/dbraw/zinc/51/97/60/742519760.db2.gz ROWYQHOAHZAZOV-LLVKDONJSA-N 1 1 352.232 3.144 20 10 FGCDMO Cc1nc([C@@H]2CC[N@@H+](Cc3cc(C)cc(Br)c3O)C2)no1 ZINC000896238106 742519763 /nfs/dbraw/zinc/51/97/63/742519763.db2.gz ROWYQHOAHZAZOV-LLVKDONJSA-N 1 1 352.232 3.144 20 10 FGCDMO Cc1nc([C@H]2CC[N@H+](Cc3cc(C)cc(Br)c3O)C2)no1 ZINC000896238108 742519859 /nfs/dbraw/zinc/51/98/59/742519859.db2.gz ROWYQHOAHZAZOV-NSHDSACASA-N 1 1 352.232 3.144 20 10 FGCDMO Cc1nc([C@H]2CC[N@@H+](Cc3cc(C)cc(Br)c3O)C2)no1 ZINC000896238108 742519862 /nfs/dbraw/zinc/51/98/62/742519862.db2.gz ROWYQHOAHZAZOV-NSHDSACASA-N 1 1 352.232 3.144 20 10 FGCDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)n1 ZINC000897579607 742692126 /nfs/dbraw/zinc/69/21/26/742692126.db2.gz YDLFYNPPQLYJKN-GFCCVEGCSA-N 1 1 366.259 3.301 20 10 FGCDMO OC1CCN(c2ccc(C[N@H+]3CC[C@H](Cc4nccs4)C3)cc2)CC1 ZINC000898069618 742741746 /nfs/dbraw/zinc/74/17/46/742741746.db2.gz YEIRNIZKKFJVLK-QGZVFWFLSA-N 1 1 357.523 3.169 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(Cl)c(Cl)cc1O ZINC000903396419 743844862 /nfs/dbraw/zinc/84/48/62/743844862.db2.gz LVYBECZIJYQOLM-NXEZZACHSA-N 1 1 369.252 3.124 20 10 FGCDMO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000154916188 495770405 /nfs/dbraw/zinc/77/04/05/495770405.db2.gz XYVRUNINHGYFDM-ROUUACIJSA-N 1 1 362.537 3.103 20 10 FGCDMO O=C(c1cccs1)N1CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180239851 495920620 /nfs/dbraw/zinc/92/06/20/495920620.db2.gz JIYRXLXKJVFEGA-UHFFFAOYSA-N 1 1 350.871 3.455 20 10 FGCDMO O=C(c1cccs1)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180239851 495920623 /nfs/dbraw/zinc/92/06/23/495920623.db2.gz JIYRXLXKJVFEGA-UHFFFAOYSA-N 1 1 350.871 3.455 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1OC ZINC000160299852 495930860 /nfs/dbraw/zinc/93/08/60/495930860.db2.gz GDUVMVGBPPPQAY-KRWDZBQOSA-N 1 1 357.450 3.448 20 10 FGCDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(OC)c(OC)cc1O ZINC000180442041 495997398 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FGCDMO Cc1cccc(C[NH+]2CCN(C(=O)c3cc4occc4s3)CC2)c1O ZINC000775712567 724028728 /nfs/dbraw/zinc/02/87/28/724028728.db2.gz CZYBFQVYMSWARV-UHFFFAOYSA-N 1 1 356.447 3.466 20 10 FGCDMO COC(=O)C[N@@H+](Cc1cc(Br)cc(C)c1O)C1CCCC1 ZINC000775724669 724031263 /nfs/dbraw/zinc/03/12/63/724031263.db2.gz GRJALSKXCRYPBX-UHFFFAOYSA-N 1 1 356.260 3.381 20 10 FGCDMO C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])c2cccs2)CC1 ZINC000775781022 724061244 /nfs/dbraw/zinc/06/12/44/724061244.db2.gz WPHPPQXNHPYWCT-INIZCTEOSA-N 1 1 365.930 3.185 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)c1 ZINC000776692812 724171040 /nfs/dbraw/zinc/17/10/40/724171040.db2.gz DNOZLUYXADNLIW-KBPBESRZSA-N 1 1 350.459 3.231 20 10 FGCDMO C[C@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1cc(Cl)ccc1O ZINC000788611714 725075741 /nfs/dbraw/zinc/07/57/41/725075741.db2.gz XPIIMKDRGXAUJY-LBPRGKRZSA-N 1 1 359.857 3.062 20 10 FGCDMO C[C@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1cc(Cl)ccc1O ZINC000788611714 725075743 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ZINC000824445722 729339218 /nfs/dbraw/zinc/33/92/18/729339218.db2.gz LNVFAGUZFXGCKU-ZDUSSCGKSA-N 1 1 353.304 3.379 20 10 FGCDMO COc1ccccc1C[N@@H+](CCO)Cc1ccc(Br)cc1O ZINC000824593876 729349754 /nfs/dbraw/zinc/34/97/54/729349754.db2.gz SULMMEZPUQSIIC-UHFFFAOYSA-N 1 1 366.255 3.158 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1F ZINC000824654669 729353264 /nfs/dbraw/zinc/35/32/64/729353264.db2.gz PPNHKMDEMGJIGC-SQGPQFPESA-N 1 1 350.478 3.034 20 10 FGCDMO COc1ccc(Br)c([C@H](CO)[N@H+](C)Cc2ccccc2O)c1 ZINC000824738647 729357276 /nfs/dbraw/zinc/35/72/76/729357276.db2.gz PMPXTZSXMUCTTK-INIZCTEOSA-N 1 1 366.255 3.329 20 10 FGCDMO COc1ccc(Br)c([C@H](CO)[N@@H+](C)Cc2ccccc2O)c1 ZINC000824738647 729357277 /nfs/dbraw/zinc/35/72/77/729357277.db2.gz PMPXTZSXMUCTTK-INIZCTEOSA-N 1 1 366.255 3.329 20 10 FGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1Cl ZINC000825949071 729400632 /nfs/dbraw/zinc/40/06/32/729400632.db2.gz OVXPJCMTMCAYGB-NSHDSACASA-N 1 1 364.795 3.245 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1Cl ZINC000825949071 729400633 /nfs/dbraw/zinc/40/06/33/729400633.db2.gz OVXPJCMTMCAYGB-NSHDSACASA-N 1 1 364.795 3.245 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1O ZINC000827686948 729433385 /nfs/dbraw/zinc/43/33/85/729433385.db2.gz ICCUHJDDFLIYFL-ZDUSSCGKSA-N 1 1 369.303 3.200 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H](C)[C@H]2CO)c(C)n1-c1ccc(Cl)cn1 ZINC000829121729 729459150 /nfs/dbraw/zinc/45/91/50/729459150.db2.gz VXLFICIMTRDKGH-YVEFUNNKSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](C)[C@H]2CO)c(C)n1-c1ccc(Cl)cn1 ZINC000829121729 729459152 /nfs/dbraw/zinc/45/91/52/729459152.db2.gz VXLFICIMTRDKGH-YVEFUNNKSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1ccc(C[C@H](CO)[NH2+]Cc2cccc(Br)c2O)cc1C ZINC000835073964 729856749 /nfs/dbraw/zinc/85/67/49/729856749.db2.gz PMGNMBIHTHYQKZ-MRXNPFEDSA-N 1 1 364.283 3.465 20 10 FGCDMO Cc1cc([O-])c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(Cl)c1 ZINC000840940106 730194258 /nfs/dbraw/zinc/19/42/58/730194258.db2.gz VKSODQBEOGGPJX-UHFFFAOYSA-N 1 1 365.949 3.204 20 10 FGCDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)c1 ZINC000840959286 730197676 /nfs/dbraw/zinc/19/76/76/730197676.db2.gz QLADINMTINVYAV-QGZVFWFLSA-N 1 1 366.255 3.329 20 10 FGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(Br)c(F)c2)cc1 ZINC000841045736 730205942 /nfs/dbraw/zinc/20/59/42/730205942.db2.gz PBQQAXJGHZUVQO-QGZVFWFLSA-N 1 1 366.278 3.444 20 10 FGCDMO [NH3+]C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCCCC1 ZINC000841939767 730285231 /nfs/dbraw/zinc/28/52/31/730285231.db2.gz KWDBRZLJECJLAP-AWEZNQCLSA-N 1 1 360.285 3.406 20 10 FGCDMO COc1cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c(O)c(C(C)(C)C)c1 ZINC000842626165 730521389 /nfs/dbraw/zinc/52/13/89/730521389.db2.gz VEPPTSUBVFNYCS-IBGZPJMESA-N 1 1 351.512 3.406 20 10 FGCDMO C[C@@H](NCc1ccc(C[NH3+])cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000843344084 730609228 /nfs/dbraw/zinc/60/92/28/730609228.db2.gz PVXROQPKDZWFEJ-OAHLLOKOSA-N 1 1 359.901 3.486 20 10 FGCDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1cc(Br)ccc1O ZINC000843884447 730663211 /nfs/dbraw/zinc/66/32/11/730663211.db2.gz CMHZRRDXEQKNOU-NSHDSACASA-N 1 1 366.259 3.181 20 10 FGCDMO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2[O-])C1 ZINC000844912721 730788740 /nfs/dbraw/zinc/78/87/40/730788740.db2.gz WKAPIZUXVRRPPF-INMHGKMJSA-N 1 1 369.303 3.016 20 10 FGCDMO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)ccc2[O-])C1 ZINC000844912721 730788744 /nfs/dbraw/zinc/78/87/44/730788744.db2.gz WKAPIZUXVRRPPF-INMHGKMJSA-N 1 1 369.303 3.016 20 10 FGCDMO O=C(NCCCSc1nccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000847487370 731058230 /nfs/dbraw/zinc/05/82/30/731058230.db2.gz DVNOXJNBNSIULT-INIZCTEOSA-N 1 1 361.536 3.264 20 10 FGCDMO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2nnc(C)s2)c1O ZINC000848543962 731178745 /nfs/dbraw/zinc/17/87/45/731178745.db2.gz JDQSKVLZALDJBP-SSDOTTSWSA-N 1 1 358.261 3.174 20 10 FGCDMO CSC1(C[NH2+]Cc2c([O-])cccc2Br)CC[NH+](C)CC1 ZINC000858165580 732188480 /nfs/dbraw/zinc/18/84/80/732188480.db2.gz KDZZLNJHFWWEBP-UHFFFAOYSA-N 1 1 359.333 3.072 20 10 FGCDMO Cc1c[nH+]cn1CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000861538039 732696520 /nfs/dbraw/zinc/69/65/20/732696520.db2.gz LHZZCVVWAAADID-AWEZNQCLSA-N 1 1 360.889 3.398 20 10 FGCDMO C[NH+]1CCC([C@H]2CC[N@H+](Cc3c([O-])cccc3Br)C2)CC1 ZINC000862367532 732817336 /nfs/dbraw/zinc/81/73/36/732817336.db2.gz MAYBDKVVUJTCNB-AWEZNQCLSA-N 1 1 353.304 3.318 20 10 FGCDMO C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c([O-])cccc3Br)C2)CC1 ZINC000862367532 732817342 /nfs/dbraw/zinc/81/73/42/732817342.db2.gz MAYBDKVVUJTCNB-AWEZNQCLSA-N 1 1 353.304 3.318 20 10 FGCDMO C[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000866435809 733349297 /nfs/dbraw/zinc/34/92/97/733349297.db2.gz GVWIUTRJNIGWCK-GZMMTYOYSA-N 1 1 368.281 3.457 20 10 FGCDMO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]Cc1cccc(Br)c1O)O2 ZINC000886341037 739247214 /nfs/dbraw/zinc/24/72/14/739247214.db2.gz OOURSKQANPKIKI-CXUUEIJPSA-N 1 1 370.287 3.217 20 10 FGCDMO C[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000886510124 739263493 /nfs/dbraw/zinc/26/34/93/739263493.db2.gz VGICEXUUBWPASW-CHWSQXEVSA-N 1 1 366.458 3.193 20 10 FGCDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1OC ZINC000892204334 739975262 /nfs/dbraw/zinc/97/52/62/739975262.db2.gz KJBAMJFGICXMME-YMXBGEKHSA-N 1 1 363.479 3.340 20 10 FGCDMO O=C(NC1CCCCC1)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893979146 742222032 /nfs/dbraw/zinc/22/20/32/742222032.db2.gz ZEJKTPINNKWVTA-UHFFFAOYSA-N 1 1 352.425 3.331 20 10 FGCDMO C[N@@H+](Cc1cc(Br)cc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894749262 742326941 /nfs/dbraw/zinc/32/69/41/742326941.db2.gz XPJAGULYACHYID-PBWFPOADSA-N 1 1 357.267 3.351 20 10 FGCDMO C[NH+](Cc1cc(Br)cc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894749262 742326946 /nfs/dbraw/zinc/32/69/46/742326946.db2.gz XPJAGULYACHYID-PBWFPOADSA-N 1 1 357.267 3.351 20 10 FGCDMO C[NH+](Cc1cc(Br)cc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894749262 742326952 /nfs/dbraw/zinc/32/69/52/742326952.db2.gz XPJAGULYACHYID-PBWFPOADSA-N 1 1 357.267 3.351 20 10 FGCDMO CO[C@]12CCC[C@@]1([NH2+]Cc1cc(C)cc(Br)c1O)CCO2 ZINC000896411522 742547141 /nfs/dbraw/zinc/54/71/41/742547141.db2.gz HMLXDZXWVKBEPB-CVEARBPZSA-N 1 1 356.260 3.238 20 10 FGCDMO CCNS(=O)(=O)c1cccc(C[NH2+][C@H](CC)c2ccc(F)cc2O)c1 ZINC000903234384 743826969 /nfs/dbraw/zinc/82/69/69/743826969.db2.gz MOBACXVVJWTMQX-QGZVFWFLSA-N 1 1 366.458 3.070 20 10 FGCDMO O=C(c1ccsc1)N1CCC[N@H+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000917488287 758227766 /nfs/dbraw/zinc/22/77/66/758227766.db2.gz OTOQYZZLLBMJNR-UHFFFAOYSA-N 1 1 356.491 3.291 20 10 FGCDMO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3[O-])C2)[C@H]1C(C)C ZINC000922393219 758912614 /nfs/dbraw/zinc/91/26/14/758912614.db2.gz QREIZHVBNNQCLQ-NXWXRZEISA-N 1 1 352.906 3.005 20 10 FGCDMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3[O-])C2)[C@H]1C(C)C ZINC000922393219 758912618 /nfs/dbraw/zinc/91/26/18/758912618.db2.gz QREIZHVBNNQCLQ-NXWXRZEISA-N 1 1 352.906 3.005 20 10 FGCDMO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000927040395 759881374 /nfs/dbraw/zinc/88/13/74/759881374.db2.gz UVKFRUQEZVDMGG-WAAKLRNESA-N 1 1 363.401 3.170 20 10 FGCDMO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c(C)n1-c1ccccn1 ZINC000060855864 493956903 /nfs/dbraw/zinc/95/69/03/493956903.db2.gz NTXNKSWFBFATKP-QGZVFWFLSA-N 1 1 352.438 3.115 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000120547493 495402877 /nfs/dbraw/zinc/40/28/77/495402877.db2.gz UUADOMZFMSWTOP-RXVVDRJESA-N 1 1 372.557 3.405 20 10 FGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)CN1CCN(C)CC1 ZINC000120783285 495456843 /nfs/dbraw/zinc/45/68/43/495456843.db2.gz WHQWEMFQEHENII-UXHICEINSA-N 1 1 358.574 3.211 20 10 FGCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580568296 505788140 /nfs/dbraw/zinc/78/81/40/505788140.db2.gz BXUNGDVTSKJWDA-SFHVURJKSA-N 1 1 365.477 3.000 20 10 FGCDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CCN1C ZINC000163393439 496509558 /nfs/dbraw/zinc/50/95/58/496509558.db2.gz JEYQGULNQZNRRK-HOCLYGCPSA-N 1 1 371.447 3.114 20 10 FGCDMO C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@@H+]1C ZINC000163393439 496509562 /nfs/dbraw/zinc/50/95/62/496509562.db2.gz JEYQGULNQZNRRK-HOCLYGCPSA-N 1 1 371.447 3.114 20 10 FGCDMO C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@H+]1C ZINC000163393439 496509567 /nfs/dbraw/zinc/50/95/67/496509567.db2.gz JEYQGULNQZNRRK-HOCLYGCPSA-N 1 1 371.447 3.114 20 10 FGCDMO Cc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000158050264 496616121 /nfs/dbraw/zinc/61/61/21/496616121.db2.gz OTSRHQKYVPCWQK-GOSISDBHSA-N 1 1 373.884 3.072 20 10 FGCDMO C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(F)cc1O ZINC000185082946 496651674 /nfs/dbraw/zinc/65/16/74/496651674.db2.gz IEXVNSAGZGYUKA-CQSZACIVSA-N 1 1 372.440 3.082 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000273429292 496804381 /nfs/dbraw/zinc/80/43/81/496804381.db2.gz VFHFGXSYVDZXNF-ZIAGYGMSSA-N 1 1 366.421 3.171 20 10 FGCDMO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CCN(C)CC2)c(O)c1C ZINC000273432271 496804825 /nfs/dbraw/zinc/80/48/25/496804825.db2.gz WCNOLXTYFBMZFD-QGZVFWFLSA-N 1 1 354.498 3.007 20 10 FGCDMO CC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)c1nnc2n1CCCCC2 ZINC000273610970 496853170 /nfs/dbraw/zinc/85/31/70/496853170.db2.gz VUDTZHHJHJUMEJ-XJKSGUPXSA-N 1 1 372.469 3.299 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](CCC(=O)Nc2cc(N)ccc2F)C2CC2)cc1 ZINC000269547370 496968555 /nfs/dbraw/zinc/96/85/55/496968555.db2.gz XDNUHPYNDWWDIG-UHFFFAOYSA-N 1 1 370.472 3.467 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H]2CCCOc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC000278299956 497067059 /nfs/dbraw/zinc/06/70/59/497067059.db2.gz CQLNXGYNXSENMA-CQSZACIVSA-N 1 1 362.357 3.452 20 10 FGCDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(N)cc1 ZINC000236895334 497164692 /nfs/dbraw/zinc/16/46/92/497164692.db2.gz SEDVQRZJABKMRL-HXUWFJFHSA-N 1 1 351.494 3.182 20 10 FGCDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000274974704 497209115 /nfs/dbraw/zinc/20/91/15/497209115.db2.gz DTDIPDRLCONRBF-ZDUSSCGKSA-N 1 1 352.356 3.046 20 10 FGCDMO CCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1OC ZINC000278935064 497272633 /nfs/dbraw/zinc/27/26/33/497272633.db2.gz WUUBGNNVZFORPS-UHFFFAOYSA-N 1 1 362.382 3.006 20 10 FGCDMO COC(=O)CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccc1 ZINC000278952229 497279337 /nfs/dbraw/zinc/27/93/37/497279337.db2.gz ZQSYXOUYCXZYOD-OAHLLOKOSA-N 1 1 374.393 3.093 20 10 FGCDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299533914 497838219 /nfs/dbraw/zinc/83/82/19/497838219.db2.gz ULHHZOOBXSEZPY-MRXNPFEDSA-N 1 1 369.513 3.268 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000364621422 498054778 /nfs/dbraw/zinc/05/47/78/498054778.db2.gz VJFKMBAFLQBARP-CQSZACIVSA-N 1 1 350.415 3.281 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000296758581 498184996 /nfs/dbraw/zinc/18/49/96/498184996.db2.gz KTRFAHUFEPGGNM-SFHVURJKSA-N 1 1 364.536 3.003 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000296758581 498185001 /nfs/dbraw/zinc/18/50/01/498185001.db2.gz KTRFAHUFEPGGNM-SFHVURJKSA-N 1 1 364.536 3.003 20 10 FGCDMO COc1cc(Cl)cc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)c1O ZINC000359960333 498232573 /nfs/dbraw/zinc/23/25/73/498232573.db2.gz ZQJUJTQOLCYLOU-LLVKDONJSA-N 1 1 350.850 3.223 20 10 FGCDMO O=C(Nc1ccccn1)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000365234488 498365100 /nfs/dbraw/zinc/36/51/00/498365100.db2.gz OANGALAYCMARPI-UHFFFAOYSA-N 1 1 363.820 3.430 20 10 FGCDMO CCn1cnnc1[C@H]1C[N@@H+]([C@@H](C)c2ccc(N3CCCCC3)cc2)CCO1 ZINC000365307617 498397812 /nfs/dbraw/zinc/39/78/12/498397812.db2.gz OUQIPUDZKZYRKL-FXAWDEMLSA-N 1 1 369.513 3.423 20 10 FGCDMO CCn1cnnc1[C@H]1C[N@H+]([C@@H](C)c2ccc(N3CCCCC3)cc2)CCO1 ZINC000365307617 498397817 /nfs/dbraw/zinc/39/78/17/498397817.db2.gz OUQIPUDZKZYRKL-FXAWDEMLSA-N 1 1 369.513 3.423 20 10 FGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297700367 498540265 /nfs/dbraw/zinc/54/02/65/498540265.db2.gz YBRASOZQIFHJAB-VCSGRIEYSA-N 1 1 370.541 3.444 20 10 FGCDMO O=C(c1ccco1)N1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000363457251 498830783 /nfs/dbraw/zinc/83/07/83/498830783.db2.gz RLTYGTREKRXHOO-UHFFFAOYSA-N 1 1 350.418 3.487 20 10 FGCDMO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000363531626 498865288 /nfs/dbraw/zinc/86/52/88/498865288.db2.gz VWKFOISITRYXNQ-FQEVSTJZSA-N 1 1 367.380 3.271 20 10 FGCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000363531626 498865294 /nfs/dbraw/zinc/86/52/94/498865294.db2.gz VWKFOISITRYXNQ-FQEVSTJZSA-N 1 1 367.380 3.271 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4nc(C)no4)C3)cc2)CC1 ZINC000295471457 499027855 /nfs/dbraw/zinc/02/78/55/499027855.db2.gz IRQNBZQNECTYNX-GOSISDBHSA-N 1 1 370.497 3.373 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1O ZINC000295498043 499034881 /nfs/dbraw/zinc/03/48/81/499034881.db2.gz HEGVVQZDXMSMCT-UONOGXRCSA-N 1 1 372.852 3.029 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1O ZINC000295498043 499034889 /nfs/dbraw/zinc/03/48/89/499034889.db2.gz HEGVVQZDXMSMCT-UONOGXRCSA-N 1 1 372.852 3.029 20 10 FGCDMO Cc1cnc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)o1 ZINC000573163919 506133503 /nfs/dbraw/zinc/13/35/03/506133503.db2.gz MSPXFRHNFLWDFG-UHFFFAOYSA-N 1 1 352.438 3.343 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1O ZINC000367226533 499164882 /nfs/dbraw/zinc/16/48/82/499164882.db2.gz MLAFPFSRYBEYOM-INIZCTEOSA-N 1 1 355.438 3.037 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@@H+](C)[C@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323143 499181181 /nfs/dbraw/zinc/18/11/81/499181181.db2.gz ZNWYBBAAVXRTIO-CVEARBPZSA-N 1 1 356.470 3.161 20 10 FGCDMO CCOCc1cc(C[NH2+][C@H]2CCCc3cn(CCOC)nc32)ccc1OC ZINC000368085698 499262725 /nfs/dbraw/zinc/26/27/25/499262725.db2.gz MRAFBDSANVMJCL-IBGZPJMESA-N 1 1 373.497 3.242 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCCC23CCOCC3)c1O ZINC000371390359 499319497 /nfs/dbraw/zinc/31/94/97/499319497.db2.gz WAGRZLYPIQFCFC-UHFFFAOYSA-N 1 1 356.260 3.308 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](c2nnc(C)n2C)c2ccccc2)c1 ZINC000371876642 499374482 /nfs/dbraw/zinc/37/44/82/499374482.db2.gz OAEUITTYCXQZPT-YJYMSZOUSA-N 1 1 352.438 3.278 20 10 FGCDMO CCc1nccc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)C2)n1 ZINC000372950960 499444501 /nfs/dbraw/zinc/44/45/01/499444501.db2.gz PMIVWZONHFOGKM-ZDUSSCGKSA-N 1 1 372.425 3.041 20 10 FGCDMO CCc1nccc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)C2)n1 ZINC000372950960 499444502 /nfs/dbraw/zinc/44/45/02/499444502.db2.gz PMIVWZONHFOGKM-ZDUSSCGKSA-N 1 1 372.425 3.041 20 10 FGCDMO COCc1nccc([C@@H]2CCC[N@H+]([C@@H](C)c3cc(OC)ccc3O)C2)n1 ZINC000373609420 499479810 /nfs/dbraw/zinc/47/98/10/499479810.db2.gz NZXIYBUFECDJRM-LSDHHAIUSA-N 1 1 357.454 3.278 20 10 FGCDMO COc1ccc(N2CCC[N@H+](Cc3c(C)nc4sc(C)nn34)CC2)cc1 ZINC000378349426 499504992 /nfs/dbraw/zinc/50/49/92/499504992.db2.gz OLFOKHKNRCBZCJ-UHFFFAOYSA-N 1 1 371.510 3.129 20 10 FGCDMO COc1ccc(N2CCC[N@@H+](Cc3c(C)nc4sc(C)nn34)CC2)cc1 ZINC000378349426 499504994 /nfs/dbraw/zinc/50/49/94/499504994.db2.gz OLFOKHKNRCBZCJ-UHFFFAOYSA-N 1 1 371.510 3.129 20 10 FGCDMO Cc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1O ZINC000378443613 499517423 /nfs/dbraw/zinc/51/74/23/499517423.db2.gz NHVPHHOTZQKPBC-UHFFFAOYSA-N 1 1 359.558 3.329 20 10 FGCDMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(O)c1O ZINC000378573203 499533064 /nfs/dbraw/zinc/53/30/64/499533064.db2.gz RAMUQPFRXAZIMP-VQIMIIECSA-N 1 1 368.477 3.389 20 10 FGCDMO CC[C@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(F)cc1O ZINC000375852653 499562359 /nfs/dbraw/zinc/56/23/59/499562359.db2.gz ODUFGFLNCBEQMA-WBVHZDCISA-N 1 1 374.460 3.497 20 10 FGCDMO COCC[C@@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000412491899 499857965 /nfs/dbraw/zinc/85/79/65/499857965.db2.gz XETGHQUUOCKHOH-QGZVFWFLSA-N 1 1 371.525 3.197 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N(C)C[C@@H]3CCC[N@H+]3C)ccc21 ZINC000421708243 500124776 /nfs/dbraw/zinc/12/47/76/500124776.db2.gz ZTWNSDVBAQZMQF-SFHVURJKSA-N 1 1 357.498 3.071 20 10 FGCDMO CCCCOCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444047569 500796303 /nfs/dbraw/zinc/79/63/03/500796303.db2.gz ULALVHXDGHCWHB-UHFFFAOYSA-N 1 1 371.525 3.341 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCO[C@@H](C)C2)C1 ZINC000436036064 501061276 /nfs/dbraw/zinc/06/12/76/501061276.db2.gz WZIJITFBBVNAQS-DLBZAZTESA-N 1 1 369.509 3.092 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000472230050 502278278 /nfs/dbraw/zinc/27/82/78/502278278.db2.gz LPUOEVCKQHYKLH-NVXWUHKLSA-N 1 1 354.498 3.255 20 10 FGCDMO CC(C)[C@H]1CN(C(=O)c2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000529805538 503709938 /nfs/dbraw/zinc/70/99/38/503709938.db2.gz USCKLBQGWVQREQ-GOSISDBHSA-N 1 1 354.450 3.080 20 10 FGCDMO Cc1ocnc1CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000517839537 503848092 /nfs/dbraw/zinc/84/80/92/503848092.db2.gz NCGMBBJZWUFXPQ-UHFFFAOYSA-N 1 1 366.465 3.021 20 10 FGCDMO COc1ccccc1C[N@H+](CCO)Cc1cccc(Br)c1O ZINC000091790524 700425797 /nfs/dbraw/zinc/42/57/97/700425797.db2.gz BBZSQCYISHVPQW-UHFFFAOYSA-N 1 1 366.255 3.158 20 10 FGCDMO COc1ccccc1C[N@@H+](CCO)Cc1cccc(Br)c1O ZINC000091790524 700425802 /nfs/dbraw/zinc/42/58/02/700425802.db2.gz BBZSQCYISHVPQW-UHFFFAOYSA-N 1 1 366.255 3.158 20 10 FGCDMO CC1=C(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC000133825030 704806294 /nfs/dbraw/zinc/80/62/94/704806294.db2.gz SWOATGCUFPDOFE-INIZCTEOSA-N 1 1 364.873 3.211 20 10 FGCDMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000158618738 705192652 /nfs/dbraw/zinc/19/26/52/705192652.db2.gz IDKGCPZDBVERJU-ZIAGYGMSSA-N 1 1 351.443 3.353 20 10 FGCDMO COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000160364943 705251438 /nfs/dbraw/zinc/25/14/38/705251438.db2.gz FEHNFUMGBAUOTK-HNNXBMFYSA-N 1 1 350.459 3.150 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000164193505 705325928 /nfs/dbraw/zinc/32/59/28/705325928.db2.gz RGBGLUTZNJDAQI-UHFFFAOYSA-N 1 1 350.459 3.152 20 10 FGCDMO CCOCCO[C@H]1CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164544389 705329810 /nfs/dbraw/zinc/32/98/10/705329810.db2.gz IYQGXAIHRJDXAG-INIZCTEOSA-N 1 1 351.487 3.326 20 10 FGCDMO CCOc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000179472255 705703060 /nfs/dbraw/zinc/70/30/60/705703060.db2.gz VDTIFJNOJFTYJY-HNNXBMFYSA-N 1 1 350.459 3.232 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(F)cc1O ZINC000185855325 712703527 /nfs/dbraw/zinc/70/35/27/712703527.db2.gz LZQODLQJFSESSO-PWSUYJOCSA-N 1 1 350.340 3.266 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)c(Cl)cc1O ZINC000373925228 713884107 /nfs/dbraw/zinc/88/41/07/713884107.db2.gz WBUWFXQSDPWHJP-BONVTDFDSA-N 1 1 373.280 3.130 20 10 FGCDMO COc1cccc(C[N@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC000802655077 724397907 /nfs/dbraw/zinc/39/79/07/724397907.db2.gz UDNGHBLYKITIDW-IBGZPJMESA-N 1 1 350.459 3.138 20 10 FGCDMO COC[C@H]1CCCC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000768542661 723661012 /nfs/dbraw/zinc/66/10/12/723661012.db2.gz YQVGPAVHAQRHSY-LBPRGKRZSA-N 1 1 358.276 3.412 20 10 FGCDMO O=C(/C=C\c1ccc[nH]1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000783676459 724777948 /nfs/dbraw/zinc/77/79/48/724777948.db2.gz JTAOPYSVKVJWTH-QLBOMPFWSA-N 1 1 359.857 3.168 20 10 FGCDMO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727367579 722443897 /nfs/dbraw/zinc/44/38/97/722443897.db2.gz VEDNJEIHZYINAK-GOSISDBHSA-N 1 1 357.523 3.440 20 10 FGCDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727367579 722443898 /nfs/dbraw/zinc/44/38/98/722443898.db2.gz VEDNJEIHZYINAK-GOSISDBHSA-N 1 1 357.523 3.440 20 10 FGCDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000740854953 722538407 /nfs/dbraw/zinc/53/84/07/722538407.db2.gz KZTFCYPDVWDXHP-HNNXBMFYSA-N 1 1 351.512 3.479 20 10 FGCDMO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(C(C)=O)c1O)CC2 ZINC000750047477 722752625 /nfs/dbraw/zinc/75/26/25/722752625.db2.gz QVXUFCUUJIHLAZ-HNNXBMFYSA-N 1 1 351.830 3.023 20 10 FGCDMO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756513809 722965944 /nfs/dbraw/zinc/96/59/44/722965944.db2.gz RACGQDYLBXMWMP-QMMMGPOBSA-N 1 1 356.239 3.495 20 10 FGCDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCSc1nccs1 ZINC000759571985 723009555 /nfs/dbraw/zinc/00/95/55/723009555.db2.gz YQTXHNOWGAXWNK-QLFBSQMISA-N 1 1 370.588 3.291 20 10 FGCDMO CSC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000789816901 723075981 /nfs/dbraw/zinc/07/59/81/723075981.db2.gz RAHIUBWBEPFCRG-AWEZNQCLSA-N 1 1 354.903 3.022 20 10 FGCDMO CSC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000789816901 723075983 /nfs/dbraw/zinc/07/59/83/723075983.db2.gz RAHIUBWBEPFCRG-AWEZNQCLSA-N 1 1 354.903 3.022 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c(C(F)(F)F)c1 ZINC000792841568 723373307 /nfs/dbraw/zinc/37/33/07/723373307.db2.gz AYUHKJONLQULFA-HOTGVXAUSA-N 1 1 360.445 3.478 20 10 FGCDMO CCCC[N@@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000768443054 723657734 /nfs/dbraw/zinc/65/77/34/723657734.db2.gz YDIPCVFPQPNEFT-GOSISDBHSA-N 1 1 351.512 3.060 20 10 FGCDMO COc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(O)cc1C ZINC000768465596 723658403 /nfs/dbraw/zinc/65/84/03/723658403.db2.gz IURVBRXWJIPLNE-CQSZACIVSA-N 1 1 350.459 3.150 20 10 FGCDMO COc1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(O)cc1C ZINC000768465596 723658404 /nfs/dbraw/zinc/65/84/04/723658404.db2.gz IURVBRXWJIPLNE-CQSZACIVSA-N 1 1 350.459 3.150 20 10 FGCDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000768940136 723672713 /nfs/dbraw/zinc/67/27/13/723672713.db2.gz HLUOSBFZFHBFLB-GFCCVEGCSA-N 1 1 350.260 3.268 20 10 FGCDMO CCOC(=O)CC[N@H+](Cc1cc(Br)ccc1O)CC1CC1 ZINC000769122614 723677550 /nfs/dbraw/zinc/67/75/50/723677550.db2.gz QNKJWMSWPIWCNX-UHFFFAOYSA-N 1 1 356.260 3.320 20 10 FGCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000773759972 723821233 /nfs/dbraw/zinc/82/12/33/723821233.db2.gz CJZKBJBTXOLSPY-KZULUSFZSA-N 1 1 362.857 3.101 20 10 FGCDMO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774358717 723885419 /nfs/dbraw/zinc/88/54/19/723885419.db2.gz HJRMZTJEJWQMID-JMPLFQLZSA-N 1 1 364.269 3.170 20 10 FGCDMO COc1c(O)c(C[N@@H+](C)CCOc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774823752 723933639 /nfs/dbraw/zinc/93/36/39/723933639.db2.gz UXXUPRRQYNAAJJ-UHFFFAOYSA-N 1 1 366.801 3.473 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H](OC)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000775029448 723954113 /nfs/dbraw/zinc/95/41/13/723954113.db2.gz MLHDLXADAPYLPF-HNNXBMFYSA-N 1 1 366.801 3.440 20 10 FGCDMO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000775148219 723964130 /nfs/dbraw/zinc/96/41/30/723964130.db2.gz ZJKDVTIVNQCAOO-MFKMUULPSA-N 1 1 368.193 3.290 20 10 FGCDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000775148219 723964131 /nfs/dbraw/zinc/96/41/31/723964131.db2.gz ZJKDVTIVNQCAOO-MFKMUULPSA-N 1 1 368.193 3.290 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)c1ccc(F)cn1 ZINC000799303554 724004143 /nfs/dbraw/zinc/00/41/43/724004143.db2.gz JUKOOMFANZMHRP-INIZCTEOSA-N 1 1 369.234 3.244 20 10 FGCDMO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805183886 725055098 /nfs/dbraw/zinc/05/50/98/725055098.db2.gz MMHIFPPPVXVHLM-NSHDSACASA-N 1 1 360.285 3.230 20 10 FGCDMO CCC[N@H+]1CC[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805183886 725055100 /nfs/dbraw/zinc/05/51/00/725055100.db2.gz MMHIFPPPVXVHLM-NSHDSACASA-N 1 1 360.285 3.230 20 10 FGCDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)N1CCOCC1 ZINC000788508767 725068864 /nfs/dbraw/zinc/06/88/64/725068864.db2.gz VERPMHFXEAHIEF-XJKSGUPXSA-N 1 1 360.420 3.418 20 10 FGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCCn1cc(Br)cn1 ZINC000808436586 725201080 /nfs/dbraw/zinc/20/10/80/725201080.db2.gz JZBOWLMGSMVDJT-UHFFFAOYSA-N 1 1 362.630 3.324 20 10 FGCDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000809691940 725259199 /nfs/dbraw/zinc/25/91/99/725259199.db2.gz UEJAYSINANFMHL-AWEZNQCLSA-N 1 1 356.850 3.155 20 10 FGCDMO Oc1cc(F)c(Cl)cc1CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000816616718 727181279 /nfs/dbraw/zinc/18/12/79/727181279.db2.gz DEQPWYKYETZPFH-OAHLLOKOSA-N 1 1 350.821 3.363 20 10 FGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000819532425 727381390 /nfs/dbraw/zinc/38/13/90/727381390.db2.gz WJCQMXYQTXSOMT-CVEARBPZSA-N 1 1 361.486 3.414 20 10 FGCDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824616979 729351393 /nfs/dbraw/zinc/35/13/93/729351393.db2.gz ALBHOXPFXQZKJA-ZDUSSCGKSA-N 1 1 371.275 3.254 20 10 FGCDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824616979 729351394 /nfs/dbraw/zinc/35/13/94/729351394.db2.gz ALBHOXPFXQZKJA-ZDUSSCGKSA-N 1 1 371.275 3.254 20 10 FGCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824650384 729353034 /nfs/dbraw/zinc/35/30/34/729353034.db2.gz ONSNOZLHECVHJB-CQSZACIVSA-N 1 1 369.303 3.283 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000824845538 729361733 /nfs/dbraw/zinc/36/17/33/729361733.db2.gz LZBSFRKOLJTLPD-GDBMZVCRSA-N 1 1 354.288 3.350 20 10 FGCDMO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)c(F)cc1O ZINC000834912319 729845763 /nfs/dbraw/zinc/84/57/63/729845763.db2.gz CKPFVCLHKGCQFY-PKFCDNJMSA-N 1 1 371.250 3.098 20 10 FGCDMO Cc1cc(O)c(C[NH+]2CCC(CNC(=O)C(F)(F)F)CC2)c(Cl)c1 ZINC000840942580 730194703 /nfs/dbraw/zinc/19/47/03/730194703.db2.gz HXMHXSVHJHEZSN-UHFFFAOYSA-N 1 1 364.795 3.245 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843386162 730612683 /nfs/dbraw/zinc/61/26/83/730612683.db2.gz IOBBJJSMGKCATR-GJZGRUSLSA-N 1 1 350.890 3.460 20 10 FGCDMO CC[N@H+](Cc1cc2n(n1)CCC2)Cc1cc(Br)ccc1O ZINC000844300676 730700051 /nfs/dbraw/zinc/70/00/51/730700051.db2.gz MEUGRPOKMQJRQS-UHFFFAOYSA-N 1 1 350.260 3.320 20 10 FGCDMO CC[N@@H+](Cc1cc2n(n1)CCC2)Cc1cc(Br)ccc1O ZINC000844300676 730700054 /nfs/dbraw/zinc/70/00/54/730700054.db2.gz MEUGRPOKMQJRQS-UHFFFAOYSA-N 1 1 350.260 3.320 20 10 FGCDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cc(Cl)ccc2O)c1 ZINC000844933983 730791438 /nfs/dbraw/zinc/79/14/38/730791438.db2.gz KSKCEWDZALSTGK-UHFFFAOYSA-N 1 1 361.873 3.497 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000850344879 731345073 /nfs/dbraw/zinc/34/50/73/731345073.db2.gz ZRNOEDGOCLUYAE-UHFFFAOYSA-N 1 1 352.906 3.335 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000850404349 731352946 /nfs/dbraw/zinc/35/29/46/731352946.db2.gz IGUDEYVENHDONR-UHFFFAOYSA-N 1 1 350.203 3.185 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ncnc32)c1O ZINC000850499864 731364776 /nfs/dbraw/zinc/36/47/76/731364776.db2.gz ZEAVXPVHRLYPMS-AUTRQRHGSA-N 1 1 367.247 3.111 20 10 FGCDMO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000850499962 731364863 /nfs/dbraw/zinc/36/48/63/731364863.db2.gz BEPWYELEWRXLPV-KBPBESRZSA-N 1 1 372.351 3.077 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1O ZINC000852564221 731601467 /nfs/dbraw/zinc/60/14/67/731601467.db2.gz YIXFKUYWTOXJGN-KBXCAEBGSA-N 1 1 361.873 3.483 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)c1O ZINC000852564223 731601470 /nfs/dbraw/zinc/60/14/70/731601470.db2.gz YIXFKUYWTOXJGN-KSSFIOAISA-N 1 1 361.873 3.483 20 10 FGCDMO [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093273 731664420 /nfs/dbraw/zinc/66/44/20/731664420.db2.gz HGRWBPVXBWRQLX-CQSZACIVSA-N 1 1 353.304 3.366 20 10 FGCDMO [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093273 731664422 /nfs/dbraw/zinc/66/44/22/731664422.db2.gz HGRWBPVXBWRQLX-CQSZACIVSA-N 1 1 353.304 3.366 20 10 FGCDMO O=C(NCCCSc1nccs1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000853855994 731763573 /nfs/dbraw/zinc/76/35/73/731763573.db2.gz NHYCVPJVMDOLIM-CQSZACIVSA-N 1 1 368.572 3.332 20 10 FGCDMO CN(C)c1cc(F)c(C[NH2+]Cc2cccnc2OCC(F)F)cc1F ZINC000858154922 732186752 /nfs/dbraw/zinc/18/67/52/732186752.db2.gz WBPNXYHRRPFOTJ-UHFFFAOYSA-N 1 1 357.351 3.360 20 10 FGCDMO Cc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)ccc1N1CCCCC1 ZINC000859876040 732409534 /nfs/dbraw/zinc/40/95/34/732409534.db2.gz WIEDFVAEXIAUEM-MOPGFXCFSA-N 1 1 362.539 3.137 20 10 FGCDMO Cc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)ccc1N1CCCCC1 ZINC000859876040 732409540 /nfs/dbraw/zinc/40/95/40/732409540.db2.gz WIEDFVAEXIAUEM-MOPGFXCFSA-N 1 1 362.539 3.137 20 10 FGCDMO CN(C)c1cc(F)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1F ZINC000862237030 732793291 /nfs/dbraw/zinc/79/32/91/732793291.db2.gz VCGRAFBGTKBDQB-INIZCTEOSA-N 1 1 354.441 3.191 20 10 FGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1F ZINC000862240335 732795555 /nfs/dbraw/zinc/79/55/55/732795555.db2.gz KEJWXSXXBLJWLX-OAHLLOKOSA-N 1 1 351.441 3.008 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1F ZINC000862240335 732795559 /nfs/dbraw/zinc/79/55/59/732795559.db2.gz KEJWXSXXBLJWLX-OAHLLOKOSA-N 1 1 351.441 3.008 20 10 FGCDMO O=C(C1CC[NH+](Cc2c(O)cccc2Br)CC1)C(F)(F)F ZINC000862332316 732810809 /nfs/dbraw/zinc/81/08/09/732810809.db2.gz SPAZDQPIDJTHOT-UHFFFAOYSA-N 1 1 366.177 3.498 20 10 FGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1F ZINC000862348258 732812437 /nfs/dbraw/zinc/81/24/37/732812437.db2.gz HWZGVAFIKMXWNG-MEBBXXQBSA-N 1 1 352.347 3.166 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1F ZINC000862348258 732812440 /nfs/dbraw/zinc/81/24/40/732812440.db2.gz HWZGVAFIKMXWNG-MEBBXXQBSA-N 1 1 352.347 3.166 20 10 FGCDMO C[N@@H+](Cc1c(O)cccc1Br)C[C@@](C)(O)c1ccccc1 ZINC000862397189 732824444 /nfs/dbraw/zinc/82/44/44/732824444.db2.gz CRSOTIMJFMJZDK-QGZVFWFLSA-N 1 1 350.256 3.494 20 10 FGCDMO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883027111 737513917 /nfs/dbraw/zinc/51/39/17/737513917.db2.gz PDXLEKDJBVTLRU-OAHLLOKOSA-N 1 1 354.219 3.425 20 10 FGCDMO CN(C)c1ccc(CNC(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)cc1 ZINC000884180354 737641302 /nfs/dbraw/zinc/64/13/02/737641302.db2.gz VRBDREAOBLKSKH-MRXNPFEDSA-N 1 1 351.372 3.088 20 10 FGCDMO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)c(O)c1OC ZINC000891476951 739905992 /nfs/dbraw/zinc/90/59/92/739905992.db2.gz WLNBWNWJOICUGQ-UHFFFAOYSA-N 1 1 364.829 3.133 20 10 FGCDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)c(O)c1OC ZINC000891476951 739905995 /nfs/dbraw/zinc/90/59/95/739905995.db2.gz WLNBWNWJOICUGQ-UHFFFAOYSA-N 1 1 364.829 3.133 20 10 FGCDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c(O)c1OC ZINC000892204333 739975271 /nfs/dbraw/zinc/97/52/71/739975271.db2.gz KJBAMJFGICXMME-SHZVTRLKSA-N 1 1 363.479 3.340 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000895837940 742460337 /nfs/dbraw/zinc/46/03/37/742460337.db2.gz YQLSDAKKUCNHGE-CYBMUJFWSA-N 1 1 368.193 3.210 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000895837940 742460342 /nfs/dbraw/zinc/46/03/42/742460342.db2.gz YQLSDAKKUCNHGE-CYBMUJFWSA-N 1 1 368.193 3.210 20 10 FGCDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3c(O)cccc3Br)C2)n1 ZINC000897576368 742691340 /nfs/dbraw/zinc/69/13/40/742691340.db2.gz DAFHAIJBJIKBMJ-LBPRGKRZSA-N 1 1 366.259 3.301 20 10 FGCDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000899019095 742857066 /nfs/dbraw/zinc/85/70/66/742857066.db2.gz FIORIIUZPVQLPD-ZDUSSCGKSA-N 1 1 360.479 3.164 20 10 FGCDMO Cc1cnc(Cl)c(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000922178947 758864636 /nfs/dbraw/zinc/86/46/36/758864636.db2.gz UVTMYADNSCFWCB-UHFFFAOYSA-N 1 1 367.827 3.448 20 10 FGCDMO C[NH+]1CCN(c2ccc(CN[C@@H]3CCc4c3nccc4Cl)cc2)CC1 ZINC000926855227 759832452 /nfs/dbraw/zinc/83/24/52/759832452.db2.gz SGILDBKRHIGJTA-LJQANCHMSA-N 1 1 356.901 3.264 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000092149304 494800008 /nfs/dbraw/zinc/80/00/08/494800008.db2.gz ROYVDSBIQBCYJH-UHFFFAOYSA-N 1 1 360.479 3.201 20 10 FGCDMO COc1cccc(C[N@@H+](C)[C@H](CO)c2cccc(Br)c2)c1O ZINC000093815594 494924326 /nfs/dbraw/zinc/92/43/26/494924326.db2.gz VDLKGNKPIZCPEX-OAHLLOKOSA-N 1 1 366.255 3.329 20 10 FGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000179882761 495769928 /nfs/dbraw/zinc/76/99/28/495769928.db2.gz RQQQHKOORUQETB-GFCCVEGCSA-N 1 1 368.886 3.194 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000154968679 495787518 /nfs/dbraw/zinc/78/75/18/495787518.db2.gz RYUDJGLSBNDMIL-FQEVSTJZSA-N 1 1 360.523 3.408 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1OC ZINC000180678056 496100651 /nfs/dbraw/zinc/10/06/51/496100651.db2.gz YLHFNFQYLISCGW-YMXBGEKHSA-N 1 1 363.479 3.340 20 10 FGCDMO CCN(CC)c1ccc(CNC(=O)N(C)CCCn2cc[nH+]c2C)cc1 ZINC000179070247 496665715 /nfs/dbraw/zinc/66/57/15/496665715.db2.gz NDUZHFKQLSTHHE-UHFFFAOYSA-N 1 1 357.502 3.269 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c1 ZINC000273446128 496808230 /nfs/dbraw/zinc/80/82/30/496808230.db2.gz ZZMLVNMEHBLMOL-AWEZNQCLSA-N 1 1 355.438 3.025 20 10 FGCDMO CC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C[C@H](O)C(F)(F)F ZINC000274045240 497001212 /nfs/dbraw/zinc/00/12/12/497001212.db2.gz MDXCKVSWVGZSLJ-KRWDZBQOSA-N 1 1 360.420 3.047 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000278492234 497133094 /nfs/dbraw/zinc/13/30/94/497133094.db2.gz LPHXLJDWFVJRGX-NSHDSACASA-N 1 1 361.354 3.376 20 10 FGCDMO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1O ZINC000279035491 497311968 /nfs/dbraw/zinc/31/19/68/497311968.db2.gz NZAPZGXMKNHFHD-NSHDSACASA-N 1 1 373.844 3.394 20 10 FGCDMO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3cc4c(cc3O)OCO4)n2)ccc1F ZINC000276748682 497643337 /nfs/dbraw/zinc/64/33/37/497643337.db2.gz KMAIMJUXWKBMIU-NSHDSACASA-N 1 1 371.368 3.469 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](c2cccs2)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000295960278 497869084 /nfs/dbraw/zinc/86/90/84/497869084.db2.gz IDCKXFFVJJUZAG-MRXNPFEDSA-N 1 1 366.439 3.220 20 10 FGCDMO CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C2 ZINC000364387772 497933580 /nfs/dbraw/zinc/93/35/80/497933580.db2.gz QVQIMXYTVVQMSL-INIZCTEOSA-N 1 1 354.498 3.363 20 10 FGCDMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1cccc(OC)c1O ZINC000289551012 498189693 /nfs/dbraw/zinc/18/96/93/498189693.db2.gz XSVHHNNNRZSXKI-UHFFFAOYSA-N 1 1 369.870 3.138 20 10 FGCDMO CC[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1O ZINC000286005593 498264670 /nfs/dbraw/zinc/26/46/70/498264670.db2.gz IWYKMFLAABRSNR-QGZVFWFLSA-N 1 1 351.443 3.187 20 10 FGCDMO COCC[N@@H+](Cc1ccccn1)Cc1cc(Br)ccc1O ZINC000289773474 498287552 /nfs/dbraw/zinc/28/75/52/498287552.db2.gz KROKEYQDPKKTCU-UHFFFAOYSA-N 1 1 351.244 3.198 20 10 FGCDMO O=C(CC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1)N1CCCC1 ZINC000295376720 498997236 /nfs/dbraw/zinc/99/72/36/498997236.db2.gz OSYIRXRMKSOCLU-UHFFFAOYSA-N 1 1 354.853 3.409 20 10 FGCDMO Cc1ccc2nc(C[NH2+]Cc3ccc(N4CCC(O)CC4)c(F)c3)cn2c1 ZINC000283851173 498999553 /nfs/dbraw/zinc/99/95/53/498999553.db2.gz HYJAUPKGJJXCGG-UHFFFAOYSA-N 1 1 368.456 3.033 20 10 FGCDMO O=C(c1ccc[nH]1)N1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000372513150 499136715 /nfs/dbraw/zinc/13/67/15/499136715.db2.gz NOSBMUKNZUTCNA-UHFFFAOYSA-N 1 1 366.509 3.353 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1O ZINC000367226534 499165018 /nfs/dbraw/zinc/16/50/18/499165018.db2.gz MLAFPFSRYBEYOM-MRXNPFEDSA-N 1 1 355.438 3.037 20 10 FGCDMO CCC[C@]1(CO)CC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000368136428 499268154 /nfs/dbraw/zinc/26/81/54/499268154.db2.gz VCFOKRQQYNSOPN-INIZCTEOSA-N 1 1 358.276 3.148 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC(OCC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000369332300 499392091 /nfs/dbraw/zinc/39/20/91/499392091.db2.gz UPEHBCSAQVNVPD-UHFFFAOYSA-N 1 1 364.442 3.480 20 10 FGCDMO COCc1nccc([C@H]2CCC[N@H+]([C@@H](C)c3cc(OC)ccc3O)C2)n1 ZINC000373609417 499479805 /nfs/dbraw/zinc/47/98/05/499479805.db2.gz NZXIYBUFECDJRM-GJZGRUSLSA-N 1 1 357.454 3.278 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1O ZINC000375439898 499519193 /nfs/dbraw/zinc/51/91/93/499519193.db2.gz UMEKWWKQJPZDGP-GFCCVEGCSA-N 1 1 361.829 3.498 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc[nH]2)C1 ZINC000444296547 500831512 /nfs/dbraw/zinc/83/15/12/500831512.db2.gz YXHRWFCQYJJXCI-UHFFFAOYSA-N 1 1 350.466 3.052 20 10 FGCDMO CC[C@H]1COCCN1C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435863174 501038568 /nfs/dbraw/zinc/03/85/68/501038568.db2.gz UPJPMVNTTGFYGB-KRWDZBQOSA-N 1 1 369.509 3.045 20 10 FGCDMO CO[C@H]1CC[C@@H](NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000435993570 501055001 /nfs/dbraw/zinc/05/50/01/501055001.db2.gz VOZYCRWORDNKOX-SJORKVTESA-N 1 1 369.509 3.092 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000823733057 607386060 /nfs/dbraw/zinc/38/60/60/607386060.db2.gz SPOUWDBFMIHRJK-UHFFFAOYSA-N 1 1 367.434 3.429 20 10 FGCDMO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1cc(-c2nn[nH]n2)cs1 ZINC000823733057 607386062 /nfs/dbraw/zinc/38/60/62/607386062.db2.gz SPOUWDBFMIHRJK-UHFFFAOYSA-N 1 1 367.434 3.429 20 10 FGCDMO C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@H]21 ZINC000830941190 602203213 /nfs/dbraw/zinc/20/32/13/602203213.db2.gz UMYQREOVTYMWFF-DNVCBOLYSA-N 1 1 354.450 3.160 20 10 FGCDMO C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@H]21 ZINC000830941190 602203215 /nfs/dbraw/zinc/20/32/15/602203215.db2.gz UMYQREOVTYMWFF-DNVCBOLYSA-N 1 1 354.450 3.160 20 10 FGCDMO C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC[C@H]21 ZINC000830941190 602203217 /nfs/dbraw/zinc/20/32/17/602203217.db2.gz UMYQREOVTYMWFF-DNVCBOLYSA-N 1 1 354.450 3.160 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000825642776 608519080 /nfs/dbraw/zinc/51/90/80/608519080.db2.gz BKWGZCBBAWSOAM-UHFFFAOYSA-N 1 1 365.437 3.136 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC(C)(C)C ZINC000076118489 700224485 /nfs/dbraw/zinc/22/44/85/700224485.db2.gz URZCXBRKPIMBHW-LLVKDONJSA-N 1 1 357.292 3.280 20 10 FGCDMO CCN(CC)C(=O)[C@H](C)[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000076118523 700224728 /nfs/dbraw/zinc/22/47/28/700224728.db2.gz AGUUJYYNOWBHDY-LBPRGKRZSA-N 1 1 357.292 3.234 20 10 FGCDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000092707785 700440369 /nfs/dbraw/zinc/44/03/69/700440369.db2.gz LXOMRMYXIURPIJ-CYBMUJFWSA-N 1 1 369.303 3.283 20 10 FGCDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000092707785 700440372 /nfs/dbraw/zinc/44/03/72/700440372.db2.gz LXOMRMYXIURPIJ-CYBMUJFWSA-N 1 1 369.303 3.283 20 10 FGCDMO CC[N@@H+](Cc1cc(C(N)=O)cs1)Cc1cc(Br)ccc1O ZINC000093866978 700455287 /nfs/dbraw/zinc/45/52/87/700455287.db2.gz YEIRGLACOHBCMH-UHFFFAOYSA-N 1 1 369.284 3.337 20 10 FGCDMO COC(=O)c1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000119057316 700618887 /nfs/dbraw/zinc/61/88/87/700618887.db2.gz FURQTFNWAFQOPF-OAHLLOKOSA-N 1 1 361.463 3.422 20 10 FGCDMO CSCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262993 704818655 /nfs/dbraw/zinc/81/86/55/704818655.db2.gz BNJGKPPJIXDUPF-HNNXBMFYSA-N 1 1 356.919 3.269 20 10 FGCDMO Cc1ccc(NCCCNC(=O)NCCCSc2nccs2)[nH+]c1 ZINC000152313221 704958640 /nfs/dbraw/zinc/95/86/40/704958640.db2.gz QCPZWOOEXXBPKD-UHFFFAOYSA-N 1 1 365.528 3.130 20 10 FGCDMO COc1cc(O)c(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1OC ZINC000159467792 705224734 /nfs/dbraw/zinc/22/47/34/705224734.db2.gz QEZFJYDJTQKREQ-UHFFFAOYSA-N 1 1 362.857 3.385 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000164196754 705326022 /nfs/dbraw/zinc/32/60/22/705326022.db2.gz BFDKXJPURHERRC-OAHLLOKOSA-N 1 1 350.459 3.198 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1O ZINC000184481927 712672399 /nfs/dbraw/zinc/67/23/99/712672399.db2.gz CRQHZADRVPIVNZ-AWEZNQCLSA-N 1 1 351.418 3.288 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1O ZINC000184481927 712672400 /nfs/dbraw/zinc/67/24/00/712672400.db2.gz CRQHZADRVPIVNZ-AWEZNQCLSA-N 1 1 351.418 3.288 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000245796097 713612120 /nfs/dbraw/zinc/61/21/20/713612120.db2.gz XABQPPYGDUZODB-RBUKOAKNSA-N 1 1 352.544 3.320 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000780892650 724512250 /nfs/dbraw/zinc/51/22/50/724512250.db2.gz JTTLVABFPABKER-ZIAGYGMSSA-N 1 1 350.459 3.231 20 10 FGCDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCCS1 ZINC000783587091 724768812 /nfs/dbraw/zinc/76/88/12/724768812.db2.gz BFXSFIHTHFNTDR-DOTOQJQBSA-N 1 1 368.930 3.412 20 10 FGCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCCS1 ZINC000783587091 724768817 /nfs/dbraw/zinc/76/88/17/724768817.db2.gz BFXSFIHTHFNTDR-DOTOQJQBSA-N 1 1 368.930 3.412 20 10 FGCDMO O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000732048902 722481043 /nfs/dbraw/zinc/48/10/43/722481043.db2.gz LLWXWBBADVFXNR-AWEZNQCLSA-N 1 1 362.817 3.425 20 10 FGCDMO C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756403277 722963985 /nfs/dbraw/zinc/96/39/85/722963985.db2.gz XNXLXQONHUKQFG-GHMZBOCLSA-N 1 1 357.267 3.429 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1ccc(F)cc1O ZINC000756496777 722965581 /nfs/dbraw/zinc/96/55/81/722965581.db2.gz XWKVIIBRFRHXKA-NWDGAFQWSA-N 1 1 352.431 3.315 20 10 FGCDMO C[C@H]([NH2+]CCOc1cccnc1)c1cc(Br)c(F)cc1O ZINC000756570601 722967065 /nfs/dbraw/zinc/96/70/65/722967065.db2.gz DSXLKBOTYAIMKW-JTQLQIEISA-N 1 1 355.207 3.418 20 10 FGCDMO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756682109 722968718 /nfs/dbraw/zinc/96/87/18/722968718.db2.gz MUMKBOXCFGAOHR-LLVKDONJSA-N 1 1 350.365 3.358 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cc(F)cc(F)c1O ZINC000756711147 722968939 /nfs/dbraw/zinc/96/89/39/722968939.db2.gz IRIPEAUXIBDRRW-BONVTDFDSA-N 1 1 350.340 3.266 20 10 FGCDMO NC(=O)C1(c2ccccc2)CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792166980 723317207 /nfs/dbraw/zinc/31/72/07/723317207.db2.gz XNSVYZBELFSXNZ-UHFFFAOYSA-N 1 1 362.832 3.204 20 10 FGCDMO OCC[N@@H+](Cc1ccc(Br)s1)Cc1cc(F)ccc1O ZINC000792197137 723321072 /nfs/dbraw/zinc/32/10/72/723321072.db2.gz XSJONABJIJORSP-UHFFFAOYSA-N 1 1 360.248 3.350 20 10 FGCDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792826756 723372061 /nfs/dbraw/zinc/37/20/61/723372061.db2.gz KMEKYERWZXBGAW-VXGBXAGGSA-N 1 1 366.449 3.025 20 10 FGCDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792826756 723372064 /nfs/dbraw/zinc/37/20/64/723372064.db2.gz KMEKYERWZXBGAW-VXGBXAGGSA-N 1 1 366.449 3.025 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCCCC[C@H]2CCO)c1O ZINC000793608494 723454491 /nfs/dbraw/zinc/45/44/91/723454491.db2.gz JQLSPXDQTWHCMW-AWEZNQCLSA-N 1 1 358.276 3.290 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+][C@H](COC)CC(C)C)cc2F)CC1 ZINC000765853018 723544269 /nfs/dbraw/zinc/54/42/69/723544269.db2.gz OHOJWNREQVVGIZ-SFHVURJKSA-N 1 1 351.510 3.118 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766584491 723582313 /nfs/dbraw/zinc/58/23/13/723582313.db2.gz UIIWHLSEZWYBAL-ZFWWWQNUSA-N 1 1 360.889 3.108 20 10 FGCDMO C[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766584779 723582673 /nfs/dbraw/zinc/58/26/73/723582673.db2.gz OJZBIQSAFKETNH-QEEYODRMSA-N 1 1 363.933 3.310 20 10 FGCDMO C[C@H](N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766584779 723582674 /nfs/dbraw/zinc/58/26/74/723582674.db2.gz OJZBIQSAFKETNH-QEEYODRMSA-N 1 1 363.933 3.310 20 10 FGCDMO COC(=O)C1([N@@H+](C)Cc2cccc(Br)c2[O-])CCCCC1 ZINC000769401525 723684488 /nfs/dbraw/zinc/68/44/88/723684488.db2.gz LQTDDUVUCZVRSE-UHFFFAOYSA-N 1 1 356.260 3.462 20 10 FGCDMO COC(=O)C1([N@@H+](C)Cc2cccc(Br)c2O)CCCCC1 ZINC000769401525 723684490 /nfs/dbraw/zinc/68/44/90/723684490.db2.gz LQTDDUVUCZVRSE-UHFFFAOYSA-N 1 1 356.260 3.462 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000769482731 723686904 /nfs/dbraw/zinc/68/69/04/723686904.db2.gz GZIMFKYQJNHACQ-OALUTQOASA-N 1 1 370.534 3.460 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000769482731 723686905 /nfs/dbraw/zinc/68/69/05/723686905.db2.gz GZIMFKYQJNHACQ-OALUTQOASA-N 1 1 370.534 3.460 20 10 FGCDMO COc1cc(C[N@@H+]2CCO[C@H](COC(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000769803977 723696431 /nfs/dbraw/zinc/69/64/31/723696431.db2.gz DZWBHEUSTCEGRW-KRWDZBQOSA-N 1 1 351.487 3.324 20 10 FGCDMO COc1cc(C[N@H+]2CCO[C@H](COC(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000769803977 723696433 /nfs/dbraw/zinc/69/64/33/723696433.db2.gz DZWBHEUSTCEGRW-KRWDZBQOSA-N 1 1 351.487 3.324 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000770376633 723712307 /nfs/dbraw/zinc/71/23/07/723712307.db2.gz WIEOBQWLQOFDAF-OLZOCXBDSA-N 1 1 370.287 3.412 20 10 FGCDMO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1C ZINC000771052438 723726736 /nfs/dbraw/zinc/72/67/36/723726736.db2.gz FENOCFAIWJVTEO-MRXNPFEDSA-N 1 1 361.873 3.087 20 10 FGCDMO CC[C@@H]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000771058312 723727023 /nfs/dbraw/zinc/72/70/23/723727023.db2.gz MMRBSESEWRSTLQ-JZXOWHBKSA-N 1 1 366.889 3.084 20 10 FGCDMO O=C(CCn1cccc1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771069231 723727160 /nfs/dbraw/zinc/72/71/60/723727160.db2.gz XRMXXQVYUDGUCX-QGZVFWFLSA-N 1 1 361.873 3.018 20 10 FGCDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774914837 723941825 /nfs/dbraw/zinc/94/18/25/723941825.db2.gz WZAHBIJRUSHVCV-LSDHHAIUSA-N 1 1 352.431 3.335 20 10 FGCDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774914837 723941828 /nfs/dbraw/zinc/94/18/28/723941828.db2.gz WZAHBIJRUSHVCV-LSDHHAIUSA-N 1 1 352.431 3.335 20 10 FGCDMO COc1c(O)c(C[NH2+]Cc2csc(Br)c2)ccc1[N+](=O)[O-] ZINC000774964239 723946083 /nfs/dbraw/zinc/94/60/83/723946083.db2.gz RQFHPIZJAYRSFV-UHFFFAOYSA-N 1 1 373.228 3.423 20 10 FGCDMO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@H](C)[C@@H]1OC ZINC000775052041 723956494 /nfs/dbraw/zinc/95/64/94/723956494.db2.gz SDTFBSXQQYVVIE-JECHBYEQSA-N 1 1 352.431 3.238 20 10 FGCDMO COc1cc(C[N@@H+](CCNC(C)=O)Cc2ccc(C)s2)c(O)cc1C ZINC000800851524 724237758 /nfs/dbraw/zinc/23/77/58/724237758.db2.gz DOUJUNGSALAFMT-UHFFFAOYSA-N 1 1 362.495 3.217 20 10 FGCDMO CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)N1CCOCC1 ZINC000788508766 725068953 /nfs/dbraw/zinc/06/89/53/725068953.db2.gz VERPMHFXEAHIEF-CZUORRHYSA-N 1 1 360.420 3.418 20 10 FGCDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1cc(Br)ccc1O ZINC000807740367 725167800 /nfs/dbraw/zinc/16/78/00/725167800.db2.gz UQEIOLCWNHNNBE-AWEZNQCLSA-N 1 1 355.276 3.035 20 10 FGCDMO OC[C@H]1C[N@H+](Cc2cccc(Br)c2O)CC[C@@H]1C(F)(F)F ZINC000809697339 725260093 /nfs/dbraw/zinc/26/00/93/725260093.db2.gz FDASZJBPMYZLOY-MNOVXSKESA-N 1 1 368.193 3.147 20 10 FGCDMO OC[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CC[C@@H]1C(F)(F)F ZINC000809697339 725260094 /nfs/dbraw/zinc/26/00/94/725260094.db2.gz FDASZJBPMYZLOY-MNOVXSKESA-N 1 1 368.193 3.147 20 10 FGCDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000809713946 725261946 /nfs/dbraw/zinc/26/19/46/725261946.db2.gz RNHCHEBFIKNBEF-OAHLLOKOSA-N 1 1 369.303 3.344 20 10 FGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000811514439 725371874 /nfs/dbraw/zinc/37/18/74/725371874.db2.gz KQCXABKGSOYCEO-NSHDSACASA-N 1 1 364.795 3.245 20 10 FGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000811514439 725371876 /nfs/dbraw/zinc/37/18/76/725371876.db2.gz KQCXABKGSOYCEO-NSHDSACASA-N 1 1 364.795 3.245 20 10 FGCDMO CCOc1cccc(C[NH2+][C@H](C)c2ncc(Br)cn2)c1O ZINC000814301643 726954725 /nfs/dbraw/zinc/95/47/25/726954725.db2.gz ABPBXOJOEWVDAY-SNVBAGLBSA-N 1 1 352.232 3.194 20 10 FGCDMO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1cccc(C(F)(F)F)c1O ZINC000815569490 727084409 /nfs/dbraw/zinc/08/44/09/727084409.db2.gz WGPHPQIOWWOVOQ-LLVKDONJSA-N 1 1 353.344 3.485 20 10 FGCDMO CN(C)C(=O)C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816542395 727173462 /nfs/dbraw/zinc/17/34/62/727173462.db2.gz MWOMXCKAJCHOQQ-INIZCTEOSA-N 1 1 350.821 3.494 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC(OC(C)(C)C)C1 ZINC000817416189 727249393 /nfs/dbraw/zinc/24/93/93/727249393.db2.gz PBSUNSSHMXQSMT-UHFFFAOYSA-N 1 1 350.478 3.440 20 10 FGCDMO CN1CCN(c2ccc(C[NH2+]C[C@H]3CSc4ccccc43)cc2)CC1 ZINC000824483917 729342208 /nfs/dbraw/zinc/34/22/08/729342208.db2.gz WUGOODHVTSNCHW-SFHVURJKSA-N 1 1 353.535 3.418 20 10 FGCDMO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CSc4ccccc43)cc2)CC1 ZINC000824483880 729342238 /nfs/dbraw/zinc/34/22/38/729342238.db2.gz WUGOODHVTSNCHW-GOSISDBHSA-N 1 1 353.535 3.418 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828754631 729447609 /nfs/dbraw/zinc/44/76/09/729447609.db2.gz BMTPKFXVHUVXKD-HUUCEWRRSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828754631 729447610 /nfs/dbraw/zinc/44/76/10/729447610.db2.gz BMTPKFXVHUVXKD-HUUCEWRRSA-N 1 1 361.873 3.028 20 10 FGCDMO C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)c(F)cc1O ZINC000834912322 729845804 /nfs/dbraw/zinc/84/58/04/729845804.db2.gz CKPFVCLHKGCQFY-RBZYPMLTSA-N 1 1 371.250 3.098 20 10 FGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1 ZINC000835055628 729853794 /nfs/dbraw/zinc/85/37/94/729853794.db2.gz LXWBLRFHXRWQKH-OVKVCFKUSA-N 1 1 350.528 3.055 20 10 FGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1 ZINC000835055628 729853797 /nfs/dbraw/zinc/85/37/97/729853797.db2.gz LXWBLRFHXRWQKH-OVKVCFKUSA-N 1 1 350.528 3.055 20 10 FGCDMO CCc1nsc(N2CCC[N@@H+](Cc3c(O)cc(C)cc3Cl)CC2)n1 ZINC000840922173 730192006 /nfs/dbraw/zinc/19/20/06/730192006.db2.gz JQSHVZRQVKPHIZ-UHFFFAOYSA-N 1 1 366.918 3.480 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CCCc3c(cnn3C)C2)c(C(F)(F)F)c1 ZINC000840954613 730196542 /nfs/dbraw/zinc/19/65/42/730196542.db2.gz KUGVRZHQINXEFO-UHFFFAOYSA-N 1 1 352.404 3.453 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCCc3c(cnn3C)C2)c(C(F)(F)F)c1 ZINC000840954613 730196543 /nfs/dbraw/zinc/19/65/43/730196543.db2.gz KUGVRZHQINXEFO-UHFFFAOYSA-N 1 1 352.404 3.453 20 10 FGCDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000840957971 730197357 /nfs/dbraw/zinc/19/73/57/730197357.db2.gz NNYLZNXMTNQSIQ-QGZVFWFLSA-N 1 1 357.523 3.295 20 10 FGCDMO C[C@H](NCc1ccc(C[NH3+])cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000843344083 730609190 /nfs/dbraw/zinc/60/91/90/730609190.db2.gz PVXROQPKDZWFEJ-HNNXBMFYSA-N 1 1 359.901 3.486 20 10 FGCDMO C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000845100589 730810202 /nfs/dbraw/zinc/81/02/02/730810202.db2.gz BJRBDEHRXGHWFU-ZIAGYGMSSA-N 1 1 365.905 3.498 20 10 FGCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000847695755 731080317 /nfs/dbraw/zinc/08/03/17/731080317.db2.gz HOXTULASSRRWQM-KZULUSFZSA-N 1 1 362.857 3.101 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1O ZINC000848518242 731174171 /nfs/dbraw/zinc/17/41/71/731174171.db2.gz JJFSZBHPWNGKMK-NWDGAFQWSA-N 1 1 369.303 3.298 20 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ZINC000862333053 732810627 /nfs/dbraw/zinc/81/06/27/732810627.db2.gz NAZJQSWYMIFNNE-GOSISDBHSA-N 1 1 373.250 3.251 20 10 FGCDMO Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000882903546 737502718 /nfs/dbraw/zinc/50/27/18/737502718.db2.gz FHDBJZAJPKCENF-UHFFFAOYSA-N 1 1 358.667 3.493 20 10 FGCDMO Cc1ccsc1[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883028692 737514155 /nfs/dbraw/zinc/51/41/55/737514155.db2.gz RRVLLDMSGMPIMJ-LBPRGKRZSA-N 1 1 360.248 3.487 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892591477 740020569 /nfs/dbraw/zinc/02/05/69/740020569.db2.gz XQDPCZJJTUVQLR-YSCVYTRNSA-N 1 1 358.269 3.029 20 10 FGCDMO O=C(NC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1)C1CCCCC1 ZINC000893981669 742222584 /nfs/dbraw/zinc/22/25/84/742222584.db2.gz WUUJXYNQFOSYGS-UHFFFAOYSA-N 1 1 352.425 3.331 20 10 FGCDMO C[C@H]([NH2+]Cc1cnn(CCF)c1)c1cc(Br)c(F)cc1O ZINC000903274188 743833823 /nfs/dbraw/zinc/83/38/23/743833823.db2.gz JLPJAAKUIRZNOS-VIFPVBQESA-N 1 1 360.202 3.311 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1cc(Br)c(F)cc1O ZINC000903391454 743844076 /nfs/dbraw/zinc/84/40/76/743844076.db2.gz YPOQUYASIUKJDQ-BMIGLBTASA-N 1 1 374.250 3.283 20 10 FGCDMO O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000091958270 494734882 /nfs/dbraw/zinc/73/48/82/494734882.db2.gz UPJGRWATDWYCHT-VQTJNVASSA-N 1 1 356.466 3.204 20 10 FGCDMO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000111236364 495052492 /nfs/dbraw/zinc/05/24/92/495052492.db2.gz BEYJMUJSCRKJLL-LJQANCHMSA-N 1 1 354.450 3.196 20 10 FGCDMO Cc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(C)n1-c1ccccn1 ZINC000119230738 495122643 /nfs/dbraw/zinc/12/26/43/495122643.db2.gz FKQURGCJFYJTGV-PKOBYXMFSA-N 1 1 352.482 3.045 20 10 FGCDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000154916299 495770806 /nfs/dbraw/zinc/77/08/06/495770806.db2.gz XYVRUNINHGYFDM-MSOLQXFVSA-N 1 1 362.537 3.103 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000177274285 496002846 /nfs/dbraw/zinc/00/28/46/496002846.db2.gz WKIDQMIAYUWULK-AWEZNQCLSA-N 1 1 366.889 3.232 20 10 FGCDMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc(OC)ccc1O ZINC000183518180 496017927 /nfs/dbraw/zinc/01/79/27/496017927.db2.gz JLEHSTHFGSMDNN-UHFFFAOYSA-N 1 1 350.365 3.140 20 10 FGCDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cc(OC)ccc1O ZINC000183518180 496017930 /nfs/dbraw/zinc/01/79/30/496017930.db2.gz JLEHSTHFGSMDNN-UHFFFAOYSA-N 1 1 350.365 3.140 20 10 FGCDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000175227523 496300027 /nfs/dbraw/zinc/30/00/27/496300027.db2.gz OGMITSXRWONLKQ-IBGZPJMESA-N 1 1 356.514 3.079 20 10 FGCDMO COc1cccc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC000184243748 496302024 /nfs/dbraw/zinc/30/20/24/496302024.db2.gz PONSJOHAQMBTIP-CWRNSKLLSA-N 1 1 362.470 3.136 20 10 FGCDMO O=C(CCc1ccccn1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158123538 496633253 /nfs/dbraw/zinc/63/32/53/496633253.db2.gz CGNPQTVRQCVSMY-GOSISDBHSA-N 1 1 373.884 3.154 20 10 FGCDMO COc1c(O)c(C[N@@H+](C)C[C@H]2OCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278139932 497018153 /nfs/dbraw/zinc/01/81/53/497018153.db2.gz AQXAALYTQKIDHC-QGZVFWFLSA-N 1 1 358.394 3.055 20 10 FGCDMO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3cscn3)CC2)cc1 ZINC000271152041 497273994 /nfs/dbraw/zinc/27/39/94/497273994.db2.gz QOKDOKRXOWSXAW-INIZCTEOSA-N 1 1 360.527 3.015 20 10 FGCDMO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)[nH]1 ZINC000271581093 497389624 /nfs/dbraw/zinc/38/96/24/497389624.db2.gz WZRGIOHHUCCDKW-UONOGXRCSA-N 1 1 361.465 3.316 20 10 FGCDMO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)[nH]1 ZINC000271581092 497389841 /nfs/dbraw/zinc/38/98/41/497389841.db2.gz WZRGIOHHUCCDKW-KGLIPLIRSA-N 1 1 361.465 3.316 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1O ZINC000267298843 497518866 /nfs/dbraw/zinc/51/88/66/497518866.db2.gz FFYCUUUYXPLCGF-APWZRJJASA-N 1 1 353.466 3.102 20 10 FGCDMO O=C(c1ccco1)N1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000190741443 497591021 /nfs/dbraw/zinc/59/10/21/497591021.db2.gz XSOCHWBGTARVQK-UHFFFAOYSA-N 1 1 352.793 3.172 20 10 FGCDMO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)N1CCN(C)CC1 ZINC000194260780 497616683 /nfs/dbraw/zinc/61/66/83/497616683.db2.gz VBHJTFVHRPCDTQ-UWJYYQICSA-N 1 1 355.526 3.468 20 10 FGCDMO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)N1CCN(C)CC1 ZINC000194260792 497617563 /nfs/dbraw/zinc/61/75/63/497617563.db2.gz VBHJTFVHRPCDTQ-DYESRHJHSA-N 1 1 355.526 3.468 20 10 FGCDMO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000276754416 497643883 /nfs/dbraw/zinc/64/38/83/497643883.db2.gz BBXWKYYHKCNKFK-KRWDZBQOSA-N 1 1 373.453 3.405 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000276754416 497643886 /nfs/dbraw/zinc/64/38/86/497643886.db2.gz BBXWKYYHKCNKFK-KRWDZBQOSA-N 1 1 373.453 3.405 20 10 FGCDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C2 ZINC000289412891 498136249 /nfs/dbraw/zinc/13/62/49/498136249.db2.gz HDBSAQJCUPPXBG-QGZVFWFLSA-N 1 1 352.482 3.011 20 10 FGCDMO COc1c(O)c(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000365123309 498307773 /nfs/dbraw/zinc/30/77/73/498307773.db2.gz UTLCDNZQAAQITJ-OAHLLOKOSA-N 1 1 368.393 3.106 20 10 FGCDMO C[C@@H]1C[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C[N@H+]1Cc1ccccc1 ZINC000361121842 498348675 /nfs/dbraw/zinc/34/86/75/498348675.db2.gz IKEPKILJCADSHE-OJYYBLKUSA-N 1 1 366.461 3.138 20 10 FGCDMO COc1ccc(C[C@](C)(O)C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1OC ZINC000290276369 498491822 /nfs/dbraw/zinc/49/18/22/498491822.db2.gz WSHZXPKSJVKYNF-RBZFPXEDSA-N 1 1 363.429 3.193 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)ccc21 ZINC000362957905 498589347 /nfs/dbraw/zinc/58/93/47/498589347.db2.gz KWMBCUNEXGOIRR-OALUTQOASA-N 1 1 369.509 3.261 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000294949254 498860698 /nfs/dbraw/zinc/86/06/98/498860698.db2.gz MKIQHCUTHVRMMJ-SFHVURJKSA-N 1 1 354.498 3.405 20 10 FGCDMO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295064583 498896826 /nfs/dbraw/zinc/89/68/26/498896826.db2.gz PRCYWTYQLFPGSD-HXUWFJFHSA-N 1 1 359.558 3.466 20 10 FGCDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295064583 498896829 /nfs/dbraw/zinc/89/68/29/498896829.db2.gz PRCYWTYQLFPGSD-HXUWFJFHSA-N 1 1 359.558 3.466 20 10 FGCDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295102692 498910354 /nfs/dbraw/zinc/91/03/54/498910354.db2.gz UHQWARZJPHYITF-RTWAWAEBSA-N 1 1 357.542 3.360 20 10 FGCDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295102692 498910357 /nfs/dbraw/zinc/91/03/57/498910357.db2.gz UHQWARZJPHYITF-RTWAWAEBSA-N 1 1 357.542 3.360 20 10 FGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295102692 498910362 /nfs/dbraw/zinc/91/03/62/498910362.db2.gz UHQWARZJPHYITF-RTWAWAEBSA-N 1 1 357.542 3.360 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2F)CC1 ZINC000295197017 498939563 /nfs/dbraw/zinc/93/95/63/498939563.db2.gz OSXOHXYKFCRYCA-GOSISDBHSA-N 1 1 361.505 3.159 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1OC ZINC000291614333 499012984 /nfs/dbraw/zinc/01/29/84/499012984.db2.gz RGURRMBXMJQMCB-QGZVFWFLSA-N 1 1 354.450 3.046 20 10 FGCDMO C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(Br)cc(F)c1[O-] ZINC000366732096 499053055 /nfs/dbraw/zinc/05/30/55/499053055.db2.gz WBZGVFMCSCSBIY-QWRGUYRKSA-N 1 1 368.250 3.404 20 10 FGCDMO C[C@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1cc(F)ccc1O ZINC000369902571 499148837 /nfs/dbraw/zinc/14/88/37/499148837.db2.gz OJQJEKMEJPAYBF-UWVGGRQHSA-N 1 1 358.339 3.098 20 10 FGCDMO COCc1nccc([C@@H]2CCC[N@@H+](Cc3cc(F)cc(C(C)=O)c3O)C2)n1 ZINC000372680258 499159984 /nfs/dbraw/zinc/15/99/84/499159984.db2.gz HENVTGVOYDUPHD-CQSZACIVSA-N 1 1 373.428 3.050 20 10 FGCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000367319829 499180949 /nfs/dbraw/zinc/18/09/49/499180949.db2.gz XZADNSLAGNIRPR-WBVHZDCISA-N 1 1 374.485 3.142 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372854515 499184503 /nfs/dbraw/zinc/18/45/03/499184503.db2.gz DSDLZPMJRHAVQB-DYESRHJHSA-N 1 1 353.510 3.003 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000367357787 499187673 /nfs/dbraw/zinc/18/76/73/499187673.db2.gz YGBFXSLIFDFXMS-HNNXBMFYSA-N 1 1 370.497 3.469 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)cc1F ZINC000367670519 499223176 /nfs/dbraw/zinc/22/31/76/499223176.db2.gz NGVYPCVCAMMDQC-UHFFFAOYSA-N 1 1 356.489 3.383 20 10 FGCDMO CC[C@H](c1cccc(Cl)c1[O-])[N@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000367897379 499242894 /nfs/dbraw/zinc/24/28/94/499242894.db2.gz SQULMGVCXLUYKE-CABCVRRESA-N 1 1 350.850 3.182 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1cc(-c2cccnc2)n[nH]1)C[C@@H]1CCCO1 ZINC000371321352 499309788 /nfs/dbraw/zinc/30/97/88/499309788.db2.gz PQDGONAFLOZYSP-IBGZPJMESA-N 1 1 364.449 3.359 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)c1O ZINC000371396797 499320661 /nfs/dbraw/zinc/32/06/61/499320661.db2.gz UKPBJAIYSDQWLX-CQSZACIVSA-N 1 1 361.467 3.098 20 10 FGCDMO COc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3nc(C)cs3)C2)c1O ZINC000371395661 499320696 /nfs/dbraw/zinc/32/06/96/499320696.db2.gz JAPPFIJKFAQPPY-AWEZNQCLSA-N 1 1 361.467 3.016 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H]2CCCc3sc(C)nc32)ccc1[N+](=O)[O-] ZINC000373508965 499474080 /nfs/dbraw/zinc/47/40/80/499474080.db2.gz NCMIPPHABRRHRQ-LLVKDONJSA-N 1 1 363.439 3.284 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c(O)c1 ZINC000378382199 499509932 /nfs/dbraw/zinc/50/99/32/499509932.db2.gz YJGWFNDOCKVKEJ-IEBWSBKVSA-N 1 1 359.470 3.003 20 10 FGCDMO C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000377624058 499712178 /nfs/dbraw/zinc/71/21/78/499712178.db2.gz KNDKKPFIOFWLQG-CQSZACIVSA-N 1 1 372.340 3.158 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@](C)(F)C2)C1 ZINC000444353941 500838395 /nfs/dbraw/zinc/83/83/95/500838395.db2.gz VIZKOZGHHZDBDE-NRFANRHFSA-N 1 1 357.473 3.368 20 10 FGCDMO CO[C@@H]1CC[C@H](NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000435993560 501055096 /nfs/dbraw/zinc/05/50/96/501055096.db2.gz VOZYCRWORDNKOX-DLBZAZTESA-N 1 1 369.509 3.092 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000458736562 501518718 /nfs/dbraw/zinc/51/87/18/501518718.db2.gz JRVPAQZGSGBFRQ-HNNXBMFYSA-N 1 1 354.498 3.112 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[C@@H](C)O2)C1 ZINC000457361581 501687325 /nfs/dbraw/zinc/68/73/25/501687325.db2.gz KRNHMIWTBXXEEN-IAGOWNOFSA-N 1 1 369.509 3.092 20 10 FGCDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C[C@@H]1C ZINC000498553261 503208444 /nfs/dbraw/zinc/20/84/44/503208444.db2.gz FECKEQLTAGVPKR-JKSUJKDBSA-N 1 1 371.525 3.459 20 10 FGCDMO CC[N@@H+](Cc1cccc(OC)c1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825434645 608549839 /nfs/dbraw/zinc/54/98/39/608549839.db2.gz CQEWCJMGVCXBNA-ZDUSSCGKSA-N 1 1 353.426 3.164 20 10 FGCDMO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000007255633 695565595 /nfs/dbraw/zinc/56/55/95/695565595.db2.gz DJWWBUFKUORTGO-OAHLLOKOSA-N 1 1 357.523 3.392 20 10 FGCDMO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000007255633 695565597 /nfs/dbraw/zinc/56/55/97/695565597.db2.gz DJWWBUFKUORTGO-OAHLLOKOSA-N 1 1 357.523 3.392 20 10 FGCDMO OCC[N@@H+](CCOCC(F)(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000093319914 700450266 /nfs/dbraw/zinc/45/02/66/700450266.db2.gz NLCOFWRNDPSHPU-UHFFFAOYSA-N 1 1 360.420 3.050 20 10 FGCDMO OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cc2c(cc1O)OCO2 ZINC000093819508 700454938 /nfs/dbraw/zinc/45/49/38/700454938.db2.gz BSUGKDZJVYMSGN-UHFFFAOYSA-N 1 1 370.232 3.422 20 10 FGCDMO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)Cc1ccccc1O ZINC000109770110 700536660 /nfs/dbraw/zinc/53/66/60/700536660.db2.gz VVQNMLVEWHVHAH-LBPRGKRZSA-N 1 1 350.365 3.453 20 10 FGCDMO CC(C)C[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000131851197 700820615 /nfs/dbraw/zinc/82/06/15/700820615.db2.gz YAFIESMHYFDPFG-SJLPKXTDSA-N 1 1 351.510 3.289 20 10 FGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000151794159 704938229 /nfs/dbraw/zinc/93/82/29/704938229.db2.gz BLFRXQJRBHIGOT-UHFFFAOYSA-N 1 1 360.420 3.465 20 10 FGCDMO C[C@@H](CNC(=O)NCCCSc1nccs1)[N@H+]1CCC[C@H](C)C1 ZINC000152170620 704952562 /nfs/dbraw/zinc/95/25/62/704952562.db2.gz ORSZMKXGFWSNLK-KBPBESRZSA-N 1 1 356.561 3.045 20 10 FGCDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCSc1nccs1 ZINC000152727432 704972416 /nfs/dbraw/zinc/97/24/16/704972416.db2.gz JNQHOOMYQZNZRF-ZIAGYGMSSA-N 1 1 356.561 3.045 20 10 FGCDMO COCCC[N@H+](C)CCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000166723981 705346018 /nfs/dbraw/zinc/34/60/18/705346018.db2.gz ZMBVTJAJGWDEJW-QGZVFWFLSA-N 1 1 351.510 3.435 20 10 FGCDMO COCCC[N@@H+](C)CCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000166723981 705346021 /nfs/dbraw/zinc/34/60/21/705346021.db2.gz ZMBVTJAJGWDEJW-QGZVFWFLSA-N 1 1 351.510 3.435 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1[O-] ZINC000245749734 713611391 /nfs/dbraw/zinc/61/13/91/713611391.db2.gz HAPBBFPQEYGCNE-BLLLJJGKSA-N 1 1 365.861 3.403 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1[O-] ZINC000245749734 713611393 /nfs/dbraw/zinc/61/13/93/713611393.db2.gz HAPBBFPQEYGCNE-BLLLJJGKSA-N 1 1 365.861 3.403 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[O-] ZINC000245749734 713611394 /nfs/dbraw/zinc/61/13/94/713611394.db2.gz HAPBBFPQEYGCNE-BLLLJJGKSA-N 1 1 365.861 3.403 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[O-] ZINC000245749734 713611396 /nfs/dbraw/zinc/61/13/96/713611396.db2.gz HAPBBFPQEYGCNE-BLLLJJGKSA-N 1 1 365.861 3.403 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)c(Cl)cc1O ZINC000373925227 713884240 /nfs/dbraw/zinc/88/42/40/713884240.db2.gz WBUWFXQSDPWHJP-BMIGLBTASA-N 1 1 373.280 3.130 20 10 FGCDMO COc1cccc(C[N@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1O ZINC000802655079 724398444 /nfs/dbraw/zinc/39/84/44/724398444.db2.gz UDNGHBLYKITIDW-LJQANCHMSA-N 1 1 350.459 3.138 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1O ZINC000790934660 723196016 /nfs/dbraw/zinc/19/60/16/723196016.db2.gz QPABRMDJQHGFTB-SMDDNHRTSA-N 1 1 358.276 3.289 20 10 FGCDMO CC[C@H]1C[C@H](C[N@H+](CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000780758660 724498588 /nfs/dbraw/zinc/49/85/88/724498588.db2.gz VPQUOAQHGPBLOI-CJNGLKHVSA-N 1 1 355.862 3.226 20 10 FGCDMO CC[C@H]1C[C@H](C[N@@H+](CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000780758660 724498592 /nfs/dbraw/zinc/49/85/92/724498592.db2.gz VPQUOAQHGPBLOI-CJNGLKHVSA-N 1 1 355.862 3.226 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2ccc([S@](C)=O)cc2)c1 ZINC000781632761 724580838 /nfs/dbraw/zinc/58/08/38/724580838.db2.gz LFGOJZFDVGQTMY-NRFANRHFSA-N 1 1 368.296 3.490 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000781913735 724611744 /nfs/dbraw/zinc/61/17/44/724611744.db2.gz SIAXKOYYRHRFGK-AWEZNQCLSA-N 1 1 350.260 3.497 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000781913735 724611747 /nfs/dbraw/zinc/61/17/47/724611747.db2.gz SIAXKOYYRHRFGK-AWEZNQCLSA-N 1 1 350.260 3.497 20 10 FGCDMO Brc1ccoc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000735323837 722515457 /nfs/dbraw/zinc/51/54/57/722515457.db2.gz CZYNTYMNTCPBMZ-UHFFFAOYSA-N 1 1 351.244 3.169 20 10 FGCDMO CNC(=O)Cc1nc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cs1 ZINC000749154004 722718082 /nfs/dbraw/zinc/71/80/82/722718082.db2.gz VMXKLYCGYYJQAH-UHFFFAOYSA-N 1 1 359.495 3.082 20 10 FGCDMO Cn1cc(C[N@@H+](C)Cc2c(O)ccc3ccncc32)c(C(F)(F)F)n1 ZINC000749773694 722740395 /nfs/dbraw/zinc/74/03/95/722740395.db2.gz FMVZKHQOKXGUDF-UHFFFAOYSA-N 1 1 350.344 3.325 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000753596248 722906150 /nfs/dbraw/zinc/90/61/50/722906150.db2.gz XVBQQGWEJFCSAD-UHFFFAOYSA-N 1 1 370.287 3.092 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000753596248 722906151 /nfs/dbraw/zinc/90/61/51/722906151.db2.gz XVBQQGWEJFCSAD-UHFFFAOYSA-N 1 1 370.287 3.092 20 10 FGCDMO C[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1ccc(F)cc1O ZINC000756649692 722968217 /nfs/dbraw/zinc/96/82/17/722968217.db2.gz QRWRULJLPRZQHI-INIZCTEOSA-N 1 1 350.478 3.465 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)c(F)cc1O ZINC000756736163 722969287 /nfs/dbraw/zinc/96/92/87/722969287.db2.gz LCTPFBMZJRVACS-ZJUUUORDSA-N 1 1 373.266 3.344 20 10 FGCDMO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000760883209 723101003 /nfs/dbraw/zinc/10/10/03/723101003.db2.gz ARUJVUSEEUIHPY-JBCWJZNQSA-N 1 1 362.239 3.138 20 10 FGCDMO COc1cc(Cl)cc(CN2CC[NH+](Cc3cccs3)CC2)c1O ZINC000761184202 723130503 /nfs/dbraw/zinc/13/05/03/723130503.db2.gz SQLPYWSMOJWILD-UHFFFAOYSA-N 1 1 352.887 3.434 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+](C)CC(=O)N(C)C2CCCCC2)c1O ZINC000761191344 723131564 /nfs/dbraw/zinc/13/15/64/723131564.db2.gz NYISNCCXQZIBRV-UHFFFAOYSA-N 1 1 354.878 3.277 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)c1O ZINC000761191344 723131565 /nfs/dbraw/zinc/13/15/65/723131565.db2.gz NYISNCCXQZIBRV-UHFFFAOYSA-N 1 1 354.878 3.277 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763696865 723361711 /nfs/dbraw/zinc/36/17/11/723361711.db2.gz MJDMFAXBFCRWFA-ZDUSSCGKSA-N 1 1 354.244 3.072 20 10 FGCDMO CNC(=O)C[C@@H]([NH2+]Cc1cccc(Br)c1O)c1ccccc1 ZINC000795607795 723601658 /nfs/dbraw/zinc/60/16/58/723601658.db2.gz WDVBOZAMQIPDMQ-OAHLLOKOSA-N 1 1 363.255 3.122 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000796037862 723618317 /nfs/dbraw/zinc/61/83/17/723618317.db2.gz VSLYUQKRIXVNOS-GUYCJALGSA-N 1 1 370.287 3.233 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000796037862 723618318 /nfs/dbraw/zinc/61/83/18/723618318.db2.gz VSLYUQKRIXVNOS-GUYCJALGSA-N 1 1 370.287 3.233 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000796037863 723618381 /nfs/dbraw/zinc/61/83/81/723618381.db2.gz VSLYUQKRIXVNOS-SUMWQHHRSA-N 1 1 370.287 3.233 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000796037863 723618382 /nfs/dbraw/zinc/61/83/82/723618382.db2.gz VSLYUQKRIXVNOS-SUMWQHHRSA-N 1 1 370.287 3.233 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1F ZINC000768919491 723672189 /nfs/dbraw/zinc/67/21/89/723672189.db2.gz DPUXTYBPCPGVOD-UHFFFAOYSA-N 1 1 361.486 3.301 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1F ZINC000768919491 723672190 /nfs/dbraw/zinc/67/21/90/723672190.db2.gz DPUXTYBPCPGVOD-UHFFFAOYSA-N 1 1 361.486 3.301 20 10 FGCDMO COc1cccc(O)c1C[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000769402168 723684668 /nfs/dbraw/zinc/68/46/68/723684668.db2.gz WDHLDANYXJEFCD-INIZCTEOSA-N 1 1 360.841 3.292 20 10 FGCDMO COc1cccc(O)c1C[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000769402168 723684670 /nfs/dbraw/zinc/68/46/70/723684670.db2.gz WDHLDANYXJEFCD-INIZCTEOSA-N 1 1 360.841 3.292 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000769554273 723689555 /nfs/dbraw/zinc/68/95/55/723689555.db2.gz ASGXSBNPFVNSIN-UHFFFAOYSA-N 1 1 370.287 3.235 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000769554273 723689556 /nfs/dbraw/zinc/68/95/56/723689556.db2.gz ASGXSBNPFVNSIN-UHFFFAOYSA-N 1 1 370.287 3.235 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000770505323 723715293 /nfs/dbraw/zinc/71/52/93/723715293.db2.gz PAKWCDQWRSFGOS-HNNXBMFYSA-N 1 1 358.869 3.321 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2O)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000770505325 723715348 /nfs/dbraw/zinc/71/53/48/723715348.db2.gz PAKWCDQWRSFGOS-OAHLLOKOSA-N 1 1 358.869 3.321 20 10 FGCDMO CSc1ccc(CC[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000797880116 723877765 /nfs/dbraw/zinc/87/77/65/723877765.db2.gz RUENQMSASUFMRU-UHFFFAOYSA-N 1 1 355.551 3.493 20 10 FGCDMO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000775813786 724066103 /nfs/dbraw/zinc/06/61/03/724066103.db2.gz WEPFSSSFNVTAQB-AAEUAGOBSA-N 1 1 368.861 3.205 20 10 FGCDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000799937146 724115629 /nfs/dbraw/zinc/11/56/29/724115629.db2.gz KBPAMKHLLDKPKQ-LBPRGKRZSA-N 1 1 368.846 3.487 20 10 FGCDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000799937146 724115634 /nfs/dbraw/zinc/11/56/34/724115634.db2.gz KBPAMKHLLDKPKQ-LBPRGKRZSA-N 1 1 368.846 3.487 20 10 FGCDMO C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[NH+](C)CC3)cc2Cl)C1 ZINC000800719862 724224048 /nfs/dbraw/zinc/22/40/48/724224048.db2.gz OKYPQBOHHOFVOF-OAHLLOKOSA-N 1 1 364.921 3.033 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000806180334 725119983 /nfs/dbraw/zinc/11/99/83/725119983.db2.gz MSPBMLSXATUBLS-IUODEOHRSA-N 1 1 363.841 3.259 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1 ZINC000808454785 725202049 /nfs/dbraw/zinc/20/20/49/725202049.db2.gz SUECRUVDJDNZGC-WMLDXEAASA-N 1 1 364.239 3.047 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)cc1 ZINC000809696781 725259681 /nfs/dbraw/zinc/25/96/81/725259681.db2.gz QSMAIMLVEVDNSR-KRWDZBQOSA-N 1 1 358.404 3.460 20 10 FGCDMO COc1cccc(C[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c1O ZINC000809739521 725264161 /nfs/dbraw/zinc/26/41/61/725264161.db2.gz NBVVMBQRTSRRPO-UHFFFAOYSA-N 1 1 362.792 3.064 20 10 FGCDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000809779354 725268112 /nfs/dbraw/zinc/26/81/12/725268112.db2.gz KQXFBIAFTJGSJN-AWEZNQCLSA-N 1 1 371.275 3.174 20 10 FGCDMO CCOc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)c(O)c1 ZINC000814302357 726954956 /nfs/dbraw/zinc/95/49/56/726954956.db2.gz UPEGBUUTQURHSG-JTQLQIEISA-N 1 1 352.232 3.194 20 10 FGCDMO O=C(NCC[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(Cl)cc1 ZINC000816541183 727173241 /nfs/dbraw/zinc/17/32/41/727173241.db2.gz FWAYDVXQJKBXHS-UHFFFAOYSA-N 1 1 357.212 3.358 20 10 FGCDMO CCOc1ccc(NC(=O)C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816562539 727176191 /nfs/dbraw/zinc/17/61/91/727176191.db2.gz PFLYQRGLHDNXAB-UHFFFAOYSA-N 1 1 352.793 3.312 20 10 FGCDMO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000824494961 729343239 /nfs/dbraw/zinc/34/32/39/729343239.db2.gz ZQCTVBCHGCTOPT-HBYGRHMLSA-N 1 1 356.825 3.140 20 10 FGCDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824650381 729352870 /nfs/dbraw/zinc/35/28/70/729352870.db2.gz ONSNOZLHECVHJB-AWEZNQCLSA-N 1 1 369.303 3.283 20 10 FGCDMO Cc1nsc(N2CCC[N@@H+](Cc3cc(Cl)c(C)cc3O)CC2)n1 ZINC000824883151 729363622 /nfs/dbraw/zinc/36/36/22/729363622.db2.gz GOWWPTRXMMJKHW-UHFFFAOYSA-N 1 1 352.891 3.226 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000825086192 729370116 /nfs/dbraw/zinc/37/01/16/729370116.db2.gz QFMCWJITMWXUAJ-TZMCWYRMSA-N 1 1 364.423 3.380 20 10 FGCDMO COc1cc(Br)cc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)c1O ZINC000825332507 729379254 /nfs/dbraw/zinc/37/92/54/729379254.db2.gz ZHEWKTMCQCPWEL-AWEZNQCLSA-N 1 1 357.292 3.078 20 10 FGCDMO COc1cc(C[N@@H+](CCOCCO)C2CCC2)c(O)c(C(C)(C)C)c1 ZINC000827204228 729426898 /nfs/dbraw/zinc/42/68/98/729426898.db2.gz PFKLFLIBVVDAPY-UHFFFAOYSA-N 1 1 351.487 3.062 20 10 FGCDMO Cc1cc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000829290499 729472191 /nfs/dbraw/zinc/47/21/91/729472191.db2.gz BAYAHURJBLSUBA-LJQANCHMSA-N 1 1 364.555 3.384 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](O)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000830051575 729533049 /nfs/dbraw/zinc/53/30/49/729533049.db2.gz BFRWUUWCCIOTHH-MRXNPFEDSA-N 1 1 361.873 3.172 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](O)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000830051575 729533050 /nfs/dbraw/zinc/53/30/50/729533050.db2.gz BFRWUUWCCIOTHH-MRXNPFEDSA-N 1 1 361.873 3.172 20 10 FGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)NCCc1ccccc1 ZINC000835072203 729856399 /nfs/dbraw/zinc/85/63/99/729856399.db2.gz CYIXKHXFEISBAQ-GFCCVEGCSA-N 1 1 350.821 3.022 20 10 FGCDMO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)ccc1O ZINC000835078175 729856981 /nfs/dbraw/zinc/85/69/81/729856981.db2.gz MYHLXUULMXGLMN-UHFFFAOYSA-N 1 1 359.264 3.111 20 10 FGCDMO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cn1 ZINC000840759811 730170407 /nfs/dbraw/zinc/17/04/07/730170407.db2.gz NUUSDDFTDKHFTK-GFCCVEGCSA-N 1 1 351.372 3.186 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1 ZINC000840963438 730198216 /nfs/dbraw/zinc/19/82/16/730198216.db2.gz NJPWHSNXSRNQET-AWEZNQCLSA-N 1 1 368.246 3.468 20 10 FGCDMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000840974254 730199561 /nfs/dbraw/zinc/19/95/61/730199561.db2.gz CSNJULXCAVMAFR-AWEZNQCLSA-N 1 1 367.287 3.132 20 10 FGCDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000840974254 730199563 /nfs/dbraw/zinc/19/95/63/730199563.db2.gz CSNJULXCAVMAFR-AWEZNQCLSA-N 1 1 367.287 3.132 20 10 FGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2cccc(OC(F)(F)F)c2)cc1 ZINC000841042863 730205710 /nfs/dbraw/zinc/20/57/10/730205710.db2.gz MGANBLKVBZZJFE-KRWDZBQOSA-N 1 1 353.388 3.441 20 10 FGCDMO C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1O ZINC000841758894 730271376 /nfs/dbraw/zinc/27/13/76/730271376.db2.gz WDFMFMSUGNAGRO-GFCCVEGCSA-N 1 1 358.825 3.383 20 10 FGCDMO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cc(Cl)cc(F)c1O ZINC000843113033 730587377 /nfs/dbraw/zinc/58/73/77/730587377.db2.gz LOQYAJDROCPTLE-INIZCTEOSA-N 1 1 350.821 3.340 20 10 FGCDMO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)c1O ZINC000846172172 730933503 /nfs/dbraw/zinc/93/35/03/730933503.db2.gz XBQOOROXVQYINT-ZJUUUORDSA-N 1 1 352.232 3.365 20 10 FGCDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C3=CC(=O)CS3)C2)s1 ZINC000846653100 730970837 /nfs/dbraw/zinc/97/08/37/730970837.db2.gz ZUWRLCMYXCSQPC-ZDUSSCGKSA-N 1 1 350.509 3.418 20 10 FGCDMO O=C(N1CC[N@H+](Cc2ccccc2O)CC12CCCCC2)C(F)(F)F ZINC000848929304 731222058 /nfs/dbraw/zinc/22/20/58/731222058.db2.gz VOJCPMFRBNRHCF-UHFFFAOYSA-N 1 1 356.388 3.302 20 10 FGCDMO C[N@H+](Cc1cc(Br)cc(Br)c1[O-])CC(C)(C)[NH3+] ZINC000849349981 731251466 /nfs/dbraw/zinc/25/14/66/731251466.db2.gz HNXAZHWIAHNECY-UHFFFAOYSA-N 1 1 366.097 3.086 20 10 FGCDMO C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])CC(C)(C)[NH3+] ZINC000849349981 731251468 /nfs/dbraw/zinc/25/14/68/731251468.db2.gz HNXAZHWIAHNECY-UHFFFAOYSA-N 1 1 366.097 3.086 20 10 FGCDMO Oc1cccc(Br)c1CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000858196916 732191666 /nfs/dbraw/zinc/19/16/66/732191666.db2.gz YTTBTZYSBYTFSG-CQSZACIVSA-N 1 1 353.304 3.366 20 10 FGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862237907 732793977 /nfs/dbraw/zinc/79/39/77/732793977.db2.gz YPMZJHNFYJDYEI-ZDUSSCGKSA-N 1 1 369.303 3.283 20 10 FGCDMO Cc1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 ZINC000862273802 732802531 /nfs/dbraw/zinc/80/25/31/732802531.db2.gz SXZVIZKZIZAHRM-UHFFFAOYSA-N 1 1 355.360 3.128 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862541134 732847432 /nfs/dbraw/zinc/84/74/32/732847432.db2.gz MRWSSMIRMUGGKB-NSHDSACASA-N 1 1 358.866 3.399 20 10 FGCDMO Cc1ccsc1[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883028691 737514332 /nfs/dbraw/zinc/51/43/32/737514332.db2.gz RRVLLDMSGMPIMJ-GFCCVEGCSA-N 1 1 360.248 3.487 20 10 FGCDMO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883074728 737518403 /nfs/dbraw/zinc/51/84/03/737518403.db2.gz HFWWMXVJJPQJGQ-CQSZACIVSA-N 1 1 355.406 3.013 20 10 FGCDMO CN(C)c1ccc(C[N@H+](Cc2c3c(nn2C)CCSC3)C2CC2)cc1 ZINC000893928867 742214615 /nfs/dbraw/zinc/21/46/15/742214615.db2.gz GYQSPIYQCFFEHV-UHFFFAOYSA-N 1 1 356.539 3.440 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](Cc2c3c(nn2C)CCSC3)C2CC2)cc1 ZINC000893928867 742214620 /nfs/dbraw/zinc/21/46/20/742214620.db2.gz GYQSPIYQCFFEHV-UHFFFAOYSA-N 1 1 356.539 3.440 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccc(F)cc1O ZINC000903478297 743854795 /nfs/dbraw/zinc/85/47/95/743854795.db2.gz FRFVASGZINZZSP-MWLCHTKSSA-N 1 1 354.223 3.156 20 10 FGCDMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2cccc(OC)c2O)cc1 ZINC000091977176 494740334 /nfs/dbraw/zinc/74/03/34/494740334.db2.gz DXHWGZPPCPMVCO-KRWDZBQOSA-N 1 1 356.422 3.013 20 10 FGCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000132477285 494880971 /nfs/dbraw/zinc/88/09/71/494880971.db2.gz QMMVIWZDTWZTOK-UHFFFAOYSA-N 1 1 372.440 3.081 20 10 FGCDMO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1)N1CCN(C)CC1 ZINC000127587436 494966330 /nfs/dbraw/zinc/96/63/30/494966330.db2.gz KYHRXEISKRBGFQ-WOJBJXKFSA-N 1 1 358.574 3.354 20 10 FGCDMO O=C(CC(F)(F)F)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000129958080 495320200 /nfs/dbraw/zinc/32/02/00/495320200.db2.gz SWNKHZKLYFVMDQ-GFCCVEGCSA-N 1 1 350.768 3.079 20 10 FGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCCC[NH+]1CCOCC1 ZINC000170682843 495563731 /nfs/dbraw/zinc/56/37/31/495563731.db2.gz ZCQBBIDPZBRMCJ-UHFFFAOYSA-N 1 1 373.541 3.138 20 10 FGCDMO COc1cccc(CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1O ZINC000173752545 495677135 /nfs/dbraw/zinc/67/71/35/495677135.db2.gz PWFAHLLMTZONPL-UHFFFAOYSA-N 1 1 371.481 3.240 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3cnc(C)nc3C)cc2F)CC1 ZINC000155277075 495901796 /nfs/dbraw/zinc/90/17/96/495901796.db2.gz PVVPIRLAONHBSD-OAHLLOKOSA-N 1 1 371.504 3.225 20 10 FGCDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1F ZINC000180705971 496111336 /nfs/dbraw/zinc/11/13/36/496111336.db2.gz NTKJUGGEHULJSL-QPJJXVBHSA-N 1 1 367.380 3.061 20 10 FGCDMO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cc2c(cc1O)CCCC2 ZINC000273355811 496781652 /nfs/dbraw/zinc/78/16/52/496781652.db2.gz CQOLYMUDEMKHMK-ONGXBYRLSA-N 1 1 358.526 3.299 20 10 FGCDMO CC(C)(C)c1cc(C[NH2+]Cc2cc(C(N)=O)no2)c(O)c(C(C)(C)C)c1 ZINC000273405319 496797225 /nfs/dbraw/zinc/79/72/25/496797225.db2.gz NGYSGGKSBSOQJD-UHFFFAOYSA-N 1 1 359.470 3.364 20 10 FGCDMO COc1cc(O)c(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)cc1OC ZINC000191531133 496800349 /nfs/dbraw/zinc/80/03/49/496800349.db2.gz CXTDEYVZTDLSDB-LLVKDONJSA-N 1 1 373.384 3.449 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2OCC(F)F)c1 ZINC000273459327 496812116 /nfs/dbraw/zinc/81/21/16/496812116.db2.gz HVLCNAGGRYKDPR-NSHDSACASA-N 1 1 366.364 3.069 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000273483301 496819697 /nfs/dbraw/zinc/81/96/97/496819697.db2.gz MOVUAANONOTMFR-IZEVZFMRSA-N 1 1 361.463 3.328 20 10 FGCDMO C[C@H](c1ccc(NC(=O)NCc2ccccc2O)cc1)[NH+]1CCOCC1 ZINC000265393471 497114063 /nfs/dbraw/zinc/11/40/63/497114063.db2.gz NYPBRDSPWONGDW-OAHLLOKOSA-N 1 1 355.438 3.107 20 10 FGCDMO COc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000272646230 497689591 /nfs/dbraw/zinc/68/95/91/497689591.db2.gz PAGHTWQVKRZXAP-ZIAGYGMSSA-N 1 1 350.459 3.136 20 10 FGCDMO COc1cc(C)cc2c1OCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000364761645 498132798 /nfs/dbraw/zinc/13/27/98/498132798.db2.gz VWQIMNSZYZLBQZ-CQSZACIVSA-N 1 1 374.393 3.239 20 10 FGCDMO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1O ZINC000359960334 498231484 /nfs/dbraw/zinc/23/14/84/498231484.db2.gz ZQJUJTQOLCYLOU-NSHDSACASA-N 1 1 350.850 3.223 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)CC2(O)CCOCC2)cc1 ZINC000297022641 498290019 /nfs/dbraw/zinc/29/00/19/498290019.db2.gz XDIWQKBXUXNRRC-UHFFFAOYSA-N 1 1 360.523 3.358 20 10 FGCDMO CC[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(F)cc1O ZINC000286242125 498336073 /nfs/dbraw/zinc/33/60/73/498336073.db2.gz UAHYAJLMBMEACS-QGZVFWFLSA-N 1 1 351.443 3.317 20 10 FGCDMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)c1O ZINC000362014872 498454862 /nfs/dbraw/zinc/45/48/62/498454862.db2.gz VFLKDIJFTLNZKF-UHFFFAOYSA-N 1 1 373.449 3.027 20 10 FGCDMO CCCCN(Cc1ccccc1O)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000291118816 498803898 /nfs/dbraw/zinc/80/38/98/498803898.db2.gz FFFKASRZUHXTTQ-UHFFFAOYSA-N 1 1 357.454 3.419 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2Cn2nc(C)nc2C)c1O ZINC000363911568 499050310 /nfs/dbraw/zinc/05/03/10/499050310.db2.gz UQHDBDNGMXLQNM-MRXNPFEDSA-N 1 1 364.877 3.317 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](N4CCCC4)[C@H]3C)cc2)CC1 ZINC000295724570 499088723 /nfs/dbraw/zinc/08/87/23/499088723.db2.gz HIICHLHZOWCJPF-XMSQKQJNSA-N 1 1 357.542 3.360 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](N4CCCC4)[C@H]3C)cc2)CC1 ZINC000295724570 499088725 /nfs/dbraw/zinc/08/87/25/499088725.db2.gz HIICHLHZOWCJPF-XMSQKQJNSA-N 1 1 357.542 3.360 20 10 FGCDMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000370499051 499226211 /nfs/dbraw/zinc/22/62/11/499226211.db2.gz KJGAWBHRXNCYMI-KRWDZBQOSA-N 1 1 354.450 3.225 20 10 FGCDMO Cc1ncsc1C(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000368582433 499309993 /nfs/dbraw/zinc/30/99/93/499309993.db2.gz KGSONZMAXXUVDG-UHFFFAOYSA-N 1 1 365.886 3.159 20 10 FGCDMO Cc1ncsc1C(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000368582433 499309995 /nfs/dbraw/zinc/30/99/95/499309995.db2.gz KGSONZMAXXUVDG-UHFFFAOYSA-N 1 1 365.886 3.159 20 10 FGCDMO Oc1ccccc1C[N@@H+](Cc1nc(-c2ccccn2)no1)C[C@H]1CCCO1 ZINC000371672567 499353509 /nfs/dbraw/zinc/35/35/09/499353509.db2.gz XAVRILWBLIXJST-MRXNPFEDSA-N 1 1 366.421 3.018 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1nc(-c2ccccn2)no1)C[C@H]1CCCO1 ZINC000371672567 499353511 /nfs/dbraw/zinc/35/35/11/499353511.db2.gz XAVRILWBLIXJST-MRXNPFEDSA-N 1 1 366.421 3.018 20 10 FGCDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000372246471 499412784 /nfs/dbraw/zinc/41/27/84/499412784.db2.gz DKQYESFQGAPUDU-UHFFFAOYSA-N 1 1 363.465 3.471 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@H](n3ccnc3C(C)C)C2)ccc1[N+](=O)[O-] ZINC000373207991 499457526 /nfs/dbraw/zinc/45/75/26/499457526.db2.gz FXKWPBMHNLUEBY-HNNXBMFYSA-N 1 1 374.441 3.466 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@H](n3ccnc3C(C)C)C2)ccc1[N+](=O)[O-] ZINC000373207991 499457527 /nfs/dbraw/zinc/45/75/27/499457527.db2.gz FXKWPBMHNLUEBY-HNNXBMFYSA-N 1 1 374.441 3.466 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c(O)c1 ZINC000375300285 499504399 /nfs/dbraw/zinc/50/43/99/499504399.db2.gz YMQYLRKAKBRKAC-OAQYLSRUSA-N 1 1 352.434 3.277 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c(O)c1 ZINC000378382198 499509783 /nfs/dbraw/zinc/50/97/83/499509783.db2.gz YJGWFNDOCKVKEJ-HKUYNNGSSA-N 1 1 359.470 3.003 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1O ZINC000377251339 499673890 /nfs/dbraw/zinc/67/38/90/499673890.db2.gz QCXSXDATJIWVRC-CYBMUJFWSA-N 1 1 370.287 3.412 20 10 FGCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000377668953 499717556 /nfs/dbraw/zinc/71/75/56/499717556.db2.gz GIWNCNRWACICMP-DLBZAZTESA-N 1 1 365.433 3.028 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1O ZINC000377886714 499745418 /nfs/dbraw/zinc/74/54/18/499745418.db2.gz AGLCRHSQKUIPJJ-GFCCVEGCSA-N 1 1 350.260 3.186 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)ccc21 ZINC000607689957 506227278 /nfs/dbraw/zinc/22/72/78/506227278.db2.gz USAIYWOLXFRVDG-KDOFPFPSSA-N 1 1 357.498 3.117 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)OC[C@@H]2C)C1 ZINC000435614509 501002699 /nfs/dbraw/zinc/00/26/99/501002699.db2.gz FDTCPSBJENHOTJ-DLBZAZTESA-N 1 1 369.509 3.044 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccc[nH]2)C1 ZINC000435819292 501033258 /nfs/dbraw/zinc/03/32/58/501033258.db2.gz WLJRMUPLCFETOI-UHFFFAOYSA-N 1 1 364.493 3.395 20 10 FGCDMO CO[C@@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(C)C ZINC000435821086 501034210 /nfs/dbraw/zinc/03/42/10/501034210.db2.gz ZWYAOKOPOIZQKC-NRFANRHFSA-N 1 1 371.525 3.195 20 10 FGCDMO CS[C@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435905768 501044787 /nfs/dbraw/zinc/04/47/87/501044787.db2.gz GQNBROAXWZIVDW-OAHLLOKOSA-N 1 1 359.539 3.276 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000472229124 502276874 /nfs/dbraw/zinc/27/68/74/502276874.db2.gz KATMPDPTIRVJRT-WMZOPIPTSA-N 1 1 354.498 3.112 20 10 FGCDMO O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528857441 504418535 /nfs/dbraw/zinc/41/85/35/504418535.db2.gz MWVQVFHMFZBBEX-QGZVFWFLSA-N 1 1 374.868 3.075 20 10 FGCDMO O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528857441 504418539 /nfs/dbraw/zinc/41/85/39/504418539.db2.gz MWVQVFHMFZBBEX-QGZVFWFLSA-N 1 1 374.868 3.075 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccncc2F)C1 ZINC000562437640 504820795 /nfs/dbraw/zinc/82/07/95/504820795.db2.gz ZRXNDNDGSNCQAJ-UHFFFAOYSA-N 1 1 366.440 3.003 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736532059 599099821 /nfs/dbraw/zinc/09/98/21/599099821.db2.gz QCZNYDBIABJJKJ-UHFFFAOYSA-N 1 1 350.470 3.345 20 10 FGCDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000092707784 700440148 /nfs/dbraw/zinc/44/01/48/700440148.db2.gz LXOMRMYXIURPIJ-ZDUSSCGKSA-N 1 1 369.303 3.283 20 10 FGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000092707784 700440151 /nfs/dbraw/zinc/44/01/51/700440151.db2.gz LXOMRMYXIURPIJ-ZDUSSCGKSA-N 1 1 369.303 3.283 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1[O-] ZINC000093563796 700452360 /nfs/dbraw/zinc/45/23/60/700452360.db2.gz KRMCZHUISWYWQH-OAHLLOKOSA-N 1 1 353.850 3.404 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1[O-] ZINC000093563796 700452363 /nfs/dbraw/zinc/45/23/63/700452363.db2.gz KRMCZHUISWYWQH-OAHLLOKOSA-N 1 1 353.850 3.404 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)CCc2nccs2)c1O ZINC000093843773 700455460 /nfs/dbraw/zinc/45/54/60/700455460.db2.gz BDWSRWFHTDEALH-UHFFFAOYSA-N 1 1 357.273 3.294 20 10 FGCDMO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111235324 700546924 /nfs/dbraw/zinc/54/69/24/700546924.db2.gz DQGCLEPEPSPTQC-UHFFFAOYSA-N 1 1 350.821 3.275 20 10 FGCDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCCSc1nccs1 ZINC000154571379 705039857 /nfs/dbraw/zinc/03/98/57/705039857.db2.gz RVLVNPAFRDPHCI-AWEZNQCLSA-N 1 1 356.561 3.141 20 10 FGCDMO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000186164274 712711096 /nfs/dbraw/zinc/71/10/96/712711096.db2.gz LLOXORHOSRULKV-ZFWWWQNUSA-N 1 1 351.443 3.434 20 10 FGCDMO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)[C@@H](C)C1 ZINC000248493077 713651649 /nfs/dbraw/zinc/65/16/49/713651649.db2.gz JUDBJQKFGAVJOQ-FCEWJHQRSA-N 1 1 350.503 3.188 20 10 FGCDMO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(Br)ccc1O)C[C@H](C)O2 ZINC000373979749 713889779 /nfs/dbraw/zinc/88/97/79/713889779.db2.gz ZAWSPNYDQDIWEL-IIYDPXPESA-N 1 1 370.287 3.313 20 10 FGCDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc(Br)ccc1O)C[C@H](C)O2 ZINC000373979749 713889784 /nfs/dbraw/zinc/88/97/84/713889784.db2.gz ZAWSPNYDQDIWEL-IIYDPXPESA-N 1 1 370.287 3.313 20 10 FGCDMO CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)[C@H](CC)CN1C(C)=O ZINC000769494961 723687263 /nfs/dbraw/zinc/68/72/63/723687263.db2.gz CUMVHPYWVURWKQ-HZPDHXFCSA-N 1 1 369.303 3.376 20 10 FGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)[C@H](CC)CN1C(C)=O ZINC000769494961 723687264 /nfs/dbraw/zinc/68/72/64/723687264.db2.gz CUMVHPYWVURWKQ-HZPDHXFCSA-N 1 1 369.303 3.376 20 10 FGCDMO COc1ccc(C[NH2+]Cc2cc(C)cc(Br)c2O)cc1O ZINC000781630811 724580380 /nfs/dbraw/zinc/58/03/80/724580380.db2.gz LUYDEPPURLGHJN-UHFFFAOYSA-N 1 1 352.228 3.467 20 10 FGCDMO COCC[N@@H+](C)CCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000731473846 722475743 /nfs/dbraw/zinc/47/57/43/722475743.db2.gz CXLRYQWOQZEEGJ-UHFFFAOYSA-N 1 1 363.889 3.056 20 10 FGCDMO CC[N@@H+](CC(=O)N1CCC[C@H](C)C1)Cc1cc(Br)ccc1O ZINC000743873027 722572227 /nfs/dbraw/zinc/57/22/27/722572227.db2.gz GOQLYLUDBMHTCM-ZDUSSCGKSA-N 1 1 369.303 3.235 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3CC[C@](C)(O)C3)c2C)c1 ZINC000748832202 722706208 /nfs/dbraw/zinc/70/62/08/722706208.db2.gz FBLKUMIFZVMIDW-FQEVSTJZSA-N 1 1 358.507 3.455 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3CC[C@](C)(O)C3)c2C)c1 ZINC000748832202 722706209 /nfs/dbraw/zinc/70/62/09/722706209.db2.gz FBLKUMIFZVMIDW-FQEVSTJZSA-N 1 1 358.507 3.455 20 10 FGCDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1=CC(=O)CS1 ZINC000753502109 722901854 /nfs/dbraw/zinc/90/18/54/722901854.db2.gz BLVQANMKRRHGJR-CGTJXYLNSA-N 1 1 356.491 3.484 20 10 FGCDMO COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756383510 722963744 /nfs/dbraw/zinc/96/37/44/722963744.db2.gz JCWRCQSRDIODCE-HWPZZCPQSA-N 1 1 353.365 3.072 20 10 FGCDMO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756461096 722965048 /nfs/dbraw/zinc/96/50/48/722965048.db2.gz SDGTVLSIDLXILM-UKRRQHHQSA-N 1 1 351.393 3.378 20 10 FGCDMO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1cc(F)cc(F)c1O ZINC000756541647 722966437 /nfs/dbraw/zinc/96/64/37/722966437.db2.gz GIOFZZSZOLZGLV-ONGXEEELSA-N 1 1 359.319 3.039 20 10 FGCDMO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(Cl)cc1 ZINC000760370504 723052415 /nfs/dbraw/zinc/05/24/15/723052415.db2.gz SYRKWRIRMUNPCL-SJLPKXTDSA-N 1 1 359.857 3.290 20 10 FGCDMO C[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(Cl)cc1 ZINC000760370504 723052416 /nfs/dbraw/zinc/05/24/16/723052416.db2.gz SYRKWRIRMUNPCL-SJLPKXTDSA-N 1 1 359.857 3.290 20 10 FGCDMO COC(=O)[C@H](C)C[N@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000761217711 723134316 /nfs/dbraw/zinc/13/43/16/723134316.db2.gz XWPFSMQMAULDEW-LLVKDONJSA-N 1 1 356.260 3.237 20 10 FGCDMO COC(=O)[C@H](C)C[N@@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000761217711 723134318 /nfs/dbraw/zinc/13/43/18/723134318.db2.gz XWPFSMQMAULDEW-LLVKDONJSA-N 1 1 356.260 3.237 20 10 FGCDMO COC1(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000790788170 723177783 /nfs/dbraw/zinc/17/77/83/723177783.db2.gz UAAQHDDQGQHHHL-INIZCTEOSA-N 1 1 366.889 3.085 20 10 FGCDMO CN(C)C(=O)C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000790956966 723199159 /nfs/dbraw/zinc/19/91/59/723199159.db2.gz ZGVOVUNVQVLQKX-HNNXBMFYSA-N 1 1 350.821 3.494 20 10 FGCDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(NS(C)(=O)=O)c1 ZINC000790962545 723199624 /nfs/dbraw/zinc/19/96/24/723199624.db2.gz QJLJHFOSZJREEM-JTQLQIEISA-N 1 1 372.849 3.407 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000824767742 729358419 /nfs/dbraw/zinc/35/84/19/729358419.db2.gz APFBYOUGSUXKFE-JQWIXIFHSA-N 1 1 354.166 3.042 20 10 FGCDMO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000824767742 729358421 /nfs/dbraw/zinc/35/84/21/729358421.db2.gz APFBYOUGSUXKFE-JQWIXIFHSA-N 1 1 354.166 3.042 20 10 FGCDMO CCc1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000763379687 723339006 /nfs/dbraw/zinc/33/90/06/723339006.db2.gz DLEOCIXGEVHJDC-INIZCTEOSA-N 1 1 353.528 3.261 20 10 FGCDMO CCc1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000763379687 723339007 /nfs/dbraw/zinc/33/90/07/723339007.db2.gz DLEOCIXGEVHJDC-INIZCTEOSA-N 1 1 353.528 3.261 20 10 FGCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000793363768 723429926 /nfs/dbraw/zinc/42/99/26/723429926.db2.gz WDLKISNBLRPKSY-CXAGYDPISA-N 1 1 358.404 3.151 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@]2(CCOC2)O1 ZINC000793363768 723429928 /nfs/dbraw/zinc/42/99/28/723429928.db2.gz WDLKISNBLRPKSY-CXAGYDPISA-N 1 1 358.404 3.151 20 10 FGCDMO C[C@H](C(=O)NCc1cccc(Br)c1O)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000765733196 723536354 /nfs/dbraw/zinc/53/63/54/723536354.db2.gz VGICGQTXXABITI-GRYCIOLGSA-N 1 1 355.276 3.032 20 10 FGCDMO CCCC[C@H](COC)[NH2+]Cc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000765852544 723544314 /nfs/dbraw/zinc/54/43/14/723544314.db2.gz MJWFZZLXHHVPJJ-GOSISDBHSA-N 1 1 351.510 3.262 20 10 FGCDMO COc1cccc(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000769389650 723683934 /nfs/dbraw/zinc/68/39/34/723683934.db2.gz SFEJLMUPZJICPG-OKILXGFUSA-N 1 1 350.459 3.231 20 10 FGCDMO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000775190517 723970134 /nfs/dbraw/zinc/97/01/34/723970134.db2.gz ZUTXCLRRCDEWBU-CYBMUJFWSA-N 1 1 350.260 3.268 20 10 FGCDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000775190517 723970137 /nfs/dbraw/zinc/97/01/37/723970137.db2.gz ZUTXCLRRCDEWBU-CYBMUJFWSA-N 1 1 350.260 3.268 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000799734918 724089399 /nfs/dbraw/zinc/08/93/99/724089399.db2.gz GACSNMADGKTXGQ-UHFFFAOYSA-N 1 1 350.138 3.186 20 10 FGCDMO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000775992991 724094645 /nfs/dbraw/zinc/09/46/45/724094645.db2.gz OEORFLATUANTMX-YJBOKZPZSA-N 1 1 353.846 3.460 20 10 FGCDMO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc(O)c1O ZINC000776332795 724133389 /nfs/dbraw/zinc/13/33/89/724133389.db2.gz IASDEYMGKASECD-INIZCTEOSA-N 1 1 360.841 3.318 20 10 FGCDMO COc1cc(C)cc(C[N@@H+](CCNC(C)=O)Cc2ccc(C)s2)c1O ZINC000800851861 724237848 /nfs/dbraw/zinc/23/78/48/724237848.db2.gz WYWNDRJRERMEPX-UHFFFAOYSA-N 1 1 362.495 3.217 20 10 FGCDMO CCCC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)Cc1ccccc1O ZINC000801596589 724318013 /nfs/dbraw/zinc/31/80/13/724318013.db2.gz GWZOFLDSXDQNFP-UHFFFAOYSA-N 1 1 366.483 3.038 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](CO)Cc2ccccc2C)c1 ZINC000786158022 724964008 /nfs/dbraw/zinc/96/40/08/724964008.db2.gz NRFWYUILBNYNJR-MRXNPFEDSA-N 1 1 364.283 3.465 20 10 FGCDMO COC(=O)[C@H]1[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC000787770575 725038049 /nfs/dbraw/zinc/03/80/49/725038049.db2.gz UEGJEBPRQHVDNC-GDBMZVCRSA-N 1 1 351.349 3.042 20 10 FGCDMO COC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@@H]1CCCO1 ZINC000788619201 725076459 /nfs/dbraw/zinc/07/64/59/725076459.db2.gz MXOFLZZPVMMWKZ-HERUPUMHSA-N 1 1 362.239 3.138 20 10 FGCDMO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807548892 725163085 /nfs/dbraw/zinc/16/30/85/725163085.db2.gz HABXBHAYUXXRFC-ZDUSSCGKSA-N 1 1 360.285 3.373 20 10 FGCDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807548892 725163087 /nfs/dbraw/zinc/16/30/87/725163087.db2.gz HABXBHAYUXXRFC-ZDUSSCGKSA-N 1 1 360.285 3.373 20 10 FGCDMO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)cc(OC)c1O ZINC000809713870 725261988 /nfs/dbraw/zinc/26/19/88/725261988.db2.gz OCHQQFFNARHHPA-UHFFFAOYSA-N 1 1 354.878 3.279 20 10 FGCDMO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(Cl)cc(OC)c1O ZINC000809713870 725261989 /nfs/dbraw/zinc/26/19/89/725261989.db2.gz OCHQQFFNARHHPA-UHFFFAOYSA-N 1 1 354.878 3.279 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)NC(C)C)c(O)c1 ZINC000809720323 725262467 /nfs/dbraw/zinc/26/24/67/725262467.db2.gz DCYWLKXRIYBICQ-INIZCTEOSA-N 1 1 350.459 3.280 20 10 FGCDMO CN(CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-])C1CC[NH+](C)CC1 ZINC000809734356 725263511 /nfs/dbraw/zinc/26/35/11/725263511.db2.gz DSYAOFSVHIWKRN-UHFFFAOYSA-N 1 1 360.329 3.157 20 10 FGCDMO Cc1nccn1CCC[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000809752361 725264798 /nfs/dbraw/zinc/26/47/98/725264798.db2.gz BKVCHPHWDVDMGM-UHFFFAOYSA-N 1 1 352.276 3.490 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000809756624 725265637 /nfs/dbraw/zinc/26/56/37/725265637.db2.gz GZXSIVGZFQHALQ-LBPRGKRZSA-N 1 1 350.260 3.186 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000809756624 725265640 /nfs/dbraw/zinc/26/56/40/725265640.db2.gz GZXSIVGZFQHALQ-LBPRGKRZSA-N 1 1 350.260 3.186 20 10 FGCDMO CCCC[N@H+](C)C[C@@H](C)NCc1cc(Br)cc(OC)c1O ZINC000810163593 725293894 /nfs/dbraw/zinc/29/38/94/725293894.db2.gz ZPMQBQAGSBDOFR-GFCCVEGCSA-N 1 1 359.308 3.373 20 10 FGCDMO CCCC[N@@H+](C)C[C@@H](C)NCc1cc(Br)cc(OC)c1O ZINC000810163593 725293896 /nfs/dbraw/zinc/29/38/96/725293896.db2.gz ZPMQBQAGSBDOFR-GFCCVEGCSA-N 1 1 359.308 3.373 20 10 FGCDMO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000814300036 726954657 /nfs/dbraw/zinc/95/46/57/726954657.db2.gz FUISMWGCPGZNLL-GFCCVEGCSA-N 1 1 357.292 3.105 20 10 FGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000815119244 727040661 /nfs/dbraw/zinc/04/06/61/727040661.db2.gz RIBIDAPAAIEGFQ-HNNXBMFYSA-N 1 1 357.420 3.033 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cccc(C(F)(F)F)c1O ZINC000815626604 727087230 /nfs/dbraw/zinc/08/72/30/727087230.db2.gz IFUSEYGJRLVWSM-NSHDSACASA-N 1 1 352.356 3.290 20 10 FGCDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816522036 727171431 /nfs/dbraw/zinc/17/14/31/727171431.db2.gz HUQASZSEDWQBQG-BBRMVZONSA-N 1 1 353.825 3.006 20 10 FGCDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816522036 727171435 /nfs/dbraw/zinc/17/14/35/727171435.db2.gz HUQASZSEDWQBQG-BBRMVZONSA-N 1 1 353.825 3.006 20 10 FGCDMO O=C1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CN1c1ccccc1F ZINC000816617267 727181342 /nfs/dbraw/zinc/18/13/42/727181342.db2.gz SXGQZVUSYWDFPP-LLVKDONJSA-N 1 1 352.768 3.219 20 10 FGCDMO CCC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1ccccc1O ZINC000822654843 729205705 /nfs/dbraw/zinc/20/57/05/729205705.db2.gz RHIMDNPBGUXAAS-UHFFFAOYSA-N 1 1 368.524 3.116 20 10 FGCDMO CC[C@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1ccc(C(F)(F)F)cc1O ZINC000824515834 729344779 /nfs/dbraw/zinc/34/47/79/729344779.db2.gz IPFNQKRPJAZMRC-WFASDCNBSA-N 1 1 353.344 3.073 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1F ZINC000824654667 729353270 /nfs/dbraw/zinc/35/32/70/729353270.db2.gz PPNHKMDEMGJIGC-MBOZVWFJSA-N 1 1 350.478 3.034 20 10 FGCDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)NCCc1ccccc1 ZINC000825040638 729368728 /nfs/dbraw/zinc/36/87/28/729368728.db2.gz QMVKZHSUJGDVJG-LBPRGKRZSA-N 1 1 350.821 3.022 20 10 FGCDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715535 729392577 /nfs/dbraw/zinc/39/25/77/729392577.db2.gz ACFYXBHVDFTGJW-CYBMUJFWSA-N 1 1 350.260 3.268 20 10 FGCDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000826889245 729417983 /nfs/dbraw/zinc/41/79/83/729417983.db2.gz SLYSPPSLSXEKTF-MNOVXSKESA-N 1 1 351.752 3.219 20 10 FGCDMO COC[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C1 ZINC000827873440 729436312 /nfs/dbraw/zinc/43/63/12/729436312.db2.gz UYSOBACEVILYBC-OAHLLOKOSA-N 1 1 361.873 3.294 20 10 FGCDMO CC[C@@H]1C[N@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C[C@@H]1O ZINC000828554709 729445028 /nfs/dbraw/zinc/44/50/28/729445028.db2.gz HJEAMZJNHIPANW-PBHICJAKSA-N 1 1 361.873 3.028 20 10 FGCDMO CC[C@@H]1C[N@@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C[C@@H]1O ZINC000828554709 729445029 /nfs/dbraw/zinc/44/50/29/729445029.db2.gz HJEAMZJNHIPANW-PBHICJAKSA-N 1 1 361.873 3.028 20 10 FGCDMO C[NH+](C)[C@@H]1CCc2cc(NS(=O)(=O)c3cccc4nsnc43)ccc21 ZINC000830105119 729536808 /nfs/dbraw/zinc/53/68/08/729536808.db2.gz CBUGXWHEBOECMR-OAHLLOKOSA-N 1 1 374.491 3.041 20 10 FGCDMO Cc1nsc(N2CCC[N@H+](C/C=C\c3ccc(N(C)C)cc3)CC2)n1 ZINC000835028019 729850952 /nfs/dbraw/zinc/85/09/52/729850952.db2.gz IFEAXJXFJMUJTP-XQRVVYSFSA-N 1 1 357.527 3.138 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843386164 730612472 /nfs/dbraw/zinc/61/24/72/730612472.db2.gz IOBBJJSMGKCATR-LSDHHAIUSA-N 1 1 350.890 3.460 20 10 FGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cccc(Br)n2)cc1 ZINC000844401869 730713515 /nfs/dbraw/zinc/71/35/15/730713515.db2.gz OLUSKVMUXXNAAX-UHFFFAOYSA-N 1 1 364.287 3.421 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1 ZINC000850355428 731347401 /nfs/dbraw/zinc/34/74/01/731347401.db2.gz IPBJFDSGLCRPIV-IZDJOXEWSA-N 1 1 360.317 3.242 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000850395869 731351968 /nfs/dbraw/zinc/35/19/68/731351968.db2.gz CSLOICJZVFZZRM-GFCCVEGCSA-N 1 1 369.303 3.200 20 10 FGCDMO CN(C)c1ccc(C[N@H+](CC(=O)Nc2ccc(Cl)nc2)C2CC2)cc1 ZINC000851732042 731488281 /nfs/dbraw/zinc/48/82/81/731488281.db2.gz HTATVPLQJUQCBQ-UHFFFAOYSA-N 1 1 358.873 3.404 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](CC(=O)Nc2ccc(Cl)nc2)C2CC2)cc1 ZINC000851732042 731488285 /nfs/dbraw/zinc/48/82/85/731488285.db2.gz HTATVPLQJUQCBQ-UHFFFAOYSA-N 1 1 358.873 3.404 20 10 FGCDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1c(O)cccc1Br)C[C@H](C)O2 ZINC000862353320 732814180 /nfs/dbraw/zinc/81/41/80/732814180.db2.gz KNVZJZIELZMHFK-IIYDPXPESA-N 1 1 370.287 3.313 20 10 FGCDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC000862365926 732817498 /nfs/dbraw/zinc/81/74/98/732817498.db2.gz HPZZGHSVZCHHNH-LBPRGKRZSA-N 1 1 355.276 3.035 20 10 FGCDMO COC(=O)c1oc(C[NH2+]Cc2c(O)cccc2Br)cc1C ZINC000877693696 736706102 /nfs/dbraw/zinc/70/61/02/736706102.db2.gz OBQTXFIRGNTPJW-UHFFFAOYSA-N 1 1 354.200 3.133 20 10 FGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000883110002 737524282 /nfs/dbraw/zinc/52/42/82/737524282.db2.gz LMRXXNKYMROGEY-UHFFFAOYSA-N 1 1 368.811 3.450 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1c(O)cccc1F ZINC000886516389 739264176 /nfs/dbraw/zinc/26/41/76/739264176.db2.gz GOVPLHKMLPBGBO-NWDGAFQWSA-N 1 1 352.431 3.315 20 10 FGCDMO COc1cc(C)cc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c1O ZINC000894089750 742237728 /nfs/dbraw/zinc/23/77/28/742237728.db2.gz WWIVAZZQXFUGLX-HZPDHXFCSA-N 1 1 363.479 3.095 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c1O ZINC000894089750 742237732 /nfs/dbraw/zinc/23/77/32/742237732.db2.gz WWIVAZZQXFUGLX-HZPDHXFCSA-N 1 1 363.479 3.095 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC000896984579 742626558 /nfs/dbraw/zinc/62/65/58/742626558.db2.gz MPNUAFWQXXNXQA-AWEZNQCLSA-N 1 1 350.459 3.138 20 10 FGCDMO C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[N@H+](C2CCC2)C1 ZINC000908356871 744281887 /nfs/dbraw/zinc/28/18/87/744281887.db2.gz CLIDOSUBIKISEX-LBPRGKRZSA-N 1 1 360.479 3.259 20 10 FGCDMO NC(=O)C1CC[NH+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000007435760 494021887 /nfs/dbraw/zinc/02/18/87/494021887.db2.gz AUVDXTJJSJSOCX-WCWDXBQESA-N 1 1 365.437 3.238 20 10 FGCDMO CCO[C@H](C)c1noc(C[N@H+](C)C2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000072801235 494253544 /nfs/dbraw/zinc/25/35/44/494253544.db2.gz RNNIDGMFHGMMRG-OAHLLOKOSA-N 1 1 374.485 3.277 20 10 FGCDMO CCO[C@H](C)c1noc(C[N@@H+](C)C2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000072801235 494253547 /nfs/dbraw/zinc/25/35/47/494253547.db2.gz RNNIDGMFHGMMRG-OAHLLOKOSA-N 1 1 374.485 3.277 20 10 FGCDMO COc1cccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)c1O ZINC000125694868 495484618 /nfs/dbraw/zinc/48/46/18/495484618.db2.gz FVUMXUHTTQYDOE-UHFFFAOYSA-N 1 1 360.841 3.012 20 10 FGCDMO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151357125 495814107 /nfs/dbraw/zinc/81/41/07/495814107.db2.gz AJLWOHGURSFXKG-KRWDZBQOSA-N 1 1 363.521 3.313 20 10 FGCDMO Oc1ccc(Br)cc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186501108 496022250 /nfs/dbraw/zinc/02/22/50/496022250.db2.gz VHLYSKDBCHWJEN-UHFFFAOYSA-N 1 1 358.301 3.253 20 10 FGCDMO Cn1cc([C@H]([NH2+]Cc2ccc3c(c2)CCN3C)c2ccc(F)cc2)cn1 ZINC000187512327 496471657 /nfs/dbraw/zinc/47/16/57/496471657.db2.gz KLEKTFGOVTWFPG-OAQYLSRUSA-N 1 1 350.441 3.431 20 10 FGCDMO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(Br)ccc1O ZINC000184877468 496568448 /nfs/dbraw/zinc/56/84/48/496568448.db2.gz RTPUHNFOAYUGQY-LLVKDONJSA-N 1 1 365.275 3.323 20 10 FGCDMO COc1ccccc1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278321328 497073188 /nfs/dbraw/zinc/07/31/88/497073188.db2.gz YAOPKYFBZHXONP-ZDUSSCGKSA-N 1 1 358.394 3.307 20 10 FGCDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278321328 497073190 /nfs/dbraw/zinc/07/31/90/497073190.db2.gz YAOPKYFBZHXONP-ZDUSSCGKSA-N 1 1 358.394 3.307 20 10 FGCDMO COc1cc(OC)cc([C@@H]([NH2+]Cc2ccccc2O)c2nccn2C)c1 ZINC000237364182 497226431 /nfs/dbraw/zinc/22/64/31/497226431.db2.gz RKRFINUKPFXJEY-LJQANCHMSA-N 1 1 353.422 3.022 20 10 FGCDMO Cc1nn2c(C[N@H+](Cc3ccccc3O)C[C@H]3CCCO3)c(C)nc2s1 ZINC000270997670 497242423 /nfs/dbraw/zinc/24/24/23/497242423.db2.gz JZYUMKSHDDPZEQ-MRXNPFEDSA-N 1 1 372.494 3.294 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3c(Cl)cnn3C)cc2F)C[C@@H](C)O1 ZINC000275468977 497335956 /nfs/dbraw/zinc/33/59/56/497335956.db2.gz IOGPYMMLNXLXDV-CHWSQXEVSA-N 1 1 366.868 3.116 20 10 FGCDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)N1CCN(C)CC1 ZINC000194260770 497617294 /nfs/dbraw/zinc/61/72/94/497617294.db2.gz VBHJTFVHRPCDTQ-LAUBAEHRSA-N 1 1 355.526 3.468 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272555515 497661427 /nfs/dbraw/zinc/66/14/27/497661427.db2.gz ZHEMRKSWYNSLGW-MXFAVLBMSA-N 1 1 366.461 3.138 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000364628097 498057588 /nfs/dbraw/zinc/05/75/88/498057588.db2.gz DOCZRAYBXHKVFC-CQSZACIVSA-N 1 1 368.433 3.477 20 10 FGCDMO COc1ccc([C@H](C[NH+](C)C)NCc2cc(Cl)cc(OC)c2O)cc1 ZINC000285367130 498065232 /nfs/dbraw/zinc/06/52/32/498065232.db2.gz ZDNCGRMWNIRJMY-KRWDZBQOSA-N 1 1 364.873 3.455 20 10 FGCDMO CC[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(F)cc1O ZINC000285874876 498226930 /nfs/dbraw/zinc/22/69/30/498226930.db2.gz ZEAOSFYHCUKRPD-SFHVURJKSA-N 1 1 360.429 3.239 20 10 FGCDMO C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000360963631 498326652 /nfs/dbraw/zinc/32/66/52/498326652.db2.gz YRFAWWHBXJRVLE-GOTSBHOMSA-N 1 1 365.521 3.231 20 10 FGCDMO CN(C)c1ccc(C2=CC[N@@H+](CCC(=O)Nc3cc(N)ccc3F)C2)cc1 ZINC000361111557 498346792 /nfs/dbraw/zinc/34/67/92/498346792.db2.gz YMMWYLCBVFSCFA-UHFFFAOYSA-N 1 1 368.456 3.202 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000294445363 498694468 /nfs/dbraw/zinc/69/44/68/498694468.db2.gz XZJWVBOAMCWOSK-UHFFFAOYSA-N 1 1 364.848 3.307 20 10 FGCDMO CN1CCc2cc(C[N@H+](C)C[C@@H]3CCN(C)[C@H]3c3cccnc3)ccc21 ZINC000328628476 498881855 /nfs/dbraw/zinc/88/18/55/498881855.db2.gz HHVGARFZFSLYMA-UNMCSNQZSA-N 1 1 350.510 3.199 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2F)CC1 ZINC000295197018 498939032 /nfs/dbraw/zinc/93/90/32/498939032.db2.gz OSXOHXYKFCRYCA-SFHVURJKSA-N 1 1 361.505 3.159 20 10 FGCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c1O ZINC000364041466 499096807 /nfs/dbraw/zinc/09/68/07/499096807.db2.gz DHJLBFATITUSBM-UHFFFAOYSA-N 1 1 359.401 3.374 20 10 FGCDMO CN(C)c1ccc(C[NH2+][C@@H]2CCS(=O)(=O)c3c(F)cccc32)cc1F ZINC000368376240 499290409 /nfs/dbraw/zinc/29/04/09/499290409.db2.gz BLKSPHWPOJUTII-MRXNPFEDSA-N 1 1 366.433 3.039 20 10 FGCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC000371469047 499331252 /nfs/dbraw/zinc/33/12/52/499331252.db2.gz CTZPHLVYDRRENI-VNQPRFMTSA-N 1 1 359.297 3.383 20 10 FGCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC000371469047 499331253 /nfs/dbraw/zinc/33/12/53/499331253.db2.gz CTZPHLVYDRRENI-VNQPRFMTSA-N 1 1 359.297 3.383 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000368794222 499333333 /nfs/dbraw/zinc/33/33/33/499333333.db2.gz AIHFLPZBYZGMCH-CQSZACIVSA-N 1 1 360.479 3.371 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)ccc21 ZINC000371534246 499339263 /nfs/dbraw/zinc/33/92/63/499339263.db2.gz NDDXUCTXOBSANR-UTKZUKDTSA-N 1 1 369.509 3.071 20 10 FGCDMO C[C@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(N(C)C)cc1 ZINC000376194095 499590391 /nfs/dbraw/zinc/59/03/91/499590391.db2.gz GWQLJMNRTRISSS-JSGCOSHPSA-N 1 1 367.419 3.320 20 10 FGCDMO CN(C(=O)[C@@H]1CC12CC[NH+](Cc1c(O)ccc(Cl)c1F)CC2)C1CC1 ZINC000377274461 499676134 /nfs/dbraw/zinc/67/61/34/499676134.db2.gz ZJUVJHHJFHYUDL-AWEZNQCLSA-N 1 1 366.864 3.408 20 10 FGCDMO CN1CCN([C@H]2CCCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000377619029 499710908 /nfs/dbraw/zinc/71/09/08/499710908.db2.gz CVMSKJDTTSLXNV-IBGZPJMESA-N 1 1 353.510 3.147 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 ZINC000377699471 499722066 /nfs/dbraw/zinc/72/20/66/499722066.db2.gz MNJXWXKHESFXBH-VWKPWSFCSA-N 1 1 372.513 3.210 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@](C)(F)C2)C1 ZINC000444353942 500838414 /nfs/dbraw/zinc/83/84/14/500838414.db2.gz VIZKOZGHHZDBDE-OAQYLSRUSA-N 1 1 357.473 3.368 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H]2C2CC2)C1 ZINC000452484042 501510571 /nfs/dbraw/zinc/51/05/71/501510571.db2.gz CIALTTAULOZNKE-IBGZPJMESA-N 1 1 351.494 3.419 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000471907633 502169740 /nfs/dbraw/zinc/16/97/40/502169740.db2.gz BYBKGNKQQZHAIE-MRXNPFEDSA-N 1 1 354.498 3.303 20 10 FGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820120808 607004733 /nfs/dbraw/zinc/00/47/33/607004733.db2.gz KBGYDSHKGOLISO-UHFFFAOYSA-N 1 1 368.460 3.482 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000821199129 607111265 /nfs/dbraw/zinc/11/12/65/607111265.db2.gz ZICZRNKIFZTHNM-UHFFFAOYSA-N 1 1 350.470 3.345 20 10 FGCDMO Cc1cc(O)c(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1C ZINC000826271359 608488349 /nfs/dbraw/zinc/48/83/49/608488349.db2.gz ODYCSTDKLRNCBL-UHFFFAOYSA-N 1 1 361.449 3.478 20 10 FGCDMO CCOc1ccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c(O)c1 ZINC000825638317 608532352 /nfs/dbraw/zinc/53/23/52/608532352.db2.gz JOBOUYARQSRNEZ-UHFFFAOYSA-N 1 1 367.453 3.382 20 10 FGCDMO 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354.878 3.276 20 10 FGCDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000790780225 723177094 /nfs/dbraw/zinc/17/70/94/723177094.db2.gz OUUWJKBSSGXGBM-CYBMUJFWSA-N 1 1 356.561 3.045 20 10 FGCDMO CCS(=O)(=O)c1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000790990334 723202830 /nfs/dbraw/zinc/20/28/30/723202830.db2.gz MLUQFWYOYHOPAC-UHFFFAOYSA-N 1 1 357.834 3.268 20 10 FGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)c1 ZINC000793610964 723454916 /nfs/dbraw/zinc/45/49/16/723454916.db2.gz ZPRZBQARRBOUAZ-HOTGVXAUSA-N 1 1 352.450 3.480 20 10 FGCDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCOCC2)cc1Cl ZINC000764965227 723464319 /nfs/dbraw/zinc/46/43/19/723464319.db2.gz UFOJYRRJTNDRSN-RYGJVYDSSA-N 1 1 363.933 3.454 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)c1 ZINC000765808250 723542367 /nfs/dbraw/zinc/54/23/67/723542367.db2.gz HUGODACGWQQFDQ-BLVKFPJESA-N 1 1 363.841 3.391 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000767723223 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FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@](C)(O)C(F)(F)F ZINC000799125378 723989522 /nfs/dbraw/zinc/98/95/22/723989522.db2.gz LOUSREDJZFWXBV-GFCCVEGCSA-N 1 1 356.182 3.290 20 10 FGCDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000775726130 724031644 /nfs/dbraw/zinc/03/16/44/724031644.db2.gz WNBJRKPEKLAWGH-HNNXBMFYSA-N 1 1 358.404 3.323 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1C(C)C ZINC000777565087 724239743 /nfs/dbraw/zinc/23/97/43/724239743.db2.gz DEZTWYOHUPJBGO-ZDUSSCGKSA-N 1 1 358.404 3.324 20 10 FGCDMO COC(=O)[C@@H]1[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)C1(F)F ZINC000787770577 725038024 /nfs/dbraw/zinc/03/80/24/725038024.db2.gz UEGJEBPRQHVDNC-HOCLYGCPSA-N 1 1 351.349 3.042 20 10 FGCDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1cccc(Br)c1O ZINC000807416388 725160877 /nfs/dbraw/zinc/16/08/77/725160877.db2.gz DEJGOXGAPBDSBT-ZDUSSCGKSA-N 1 1 355.276 3.035 20 10 FGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1O ZINC000808706502 725214358 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C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000815594506 727085687 /nfs/dbraw/zinc/08/56/87/727085687.db2.gz QLXIYYQJPWINIG-SRVKXCTJSA-N 1 1 365.417 3.417 20 10 FGCDMO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(C)(F)F ZINC000815835524 727101157 /nfs/dbraw/zinc/10/11/57/727101157.db2.gz WSRQOZRMMFJZCZ-RISCZKNCSA-N 1 1 360.832 3.418 20 10 FGCDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816482549 727166893 /nfs/dbraw/zinc/16/68/93/727166893.db2.gz KBHXSVBNQHUSJB-JTQLQIEISA-N 1 1 372.849 3.025 20 10 FGCDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816482549 727166897 /nfs/dbraw/zinc/16/68/97/727166897.db2.gz KBHXSVBNQHUSJB-JTQLQIEISA-N 1 1 372.849 3.025 20 10 FGCDMO Cc1ccc([C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)N2CCOCC2)o1 ZINC000816530647 727172266 /nfs/dbraw/zinc/17/22/66/727172266.db2.gz PNDPXKSYAHPVNI-INIZCTEOSA-N 1 1 368.836 3.249 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000816662665 727187030 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CC[C@@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@H](C)[S@@]1=O ZINC000825885560 729398380 /nfs/dbraw/zinc/39/83/80/729398380.db2.gz HZLARNWKDUDHNN-FVIJCFCBSA-N 1 1 353.528 3.430 20 10 FGCDMO CC[C@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc(F)cc1O ZINC000834824332 729837097 /nfs/dbraw/zinc/83/70/97/729837097.db2.gz ZWMWHDSSHARFBJ-QSJFSLAZSA-N 1 1 350.434 3.437 20 10 FGCDMO CN(C)c1ccc(/C=C/C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000835047382 729852898 /nfs/dbraw/zinc/85/28/98/729852898.db2.gz RSHTUVYLLMUOHX-AQKVLALTSA-N 1 1 358.507 3.141 20 10 FGCDMO Fc1cc(C[N@H+]2CCSC[C@H]2C2CCC2)ccc1N1CCOCC1 ZINC000841894617 730283439 /nfs/dbraw/zinc/28/34/39/730283439.db2.gz ZZARCQXDFYLIJO-IBGZPJMESA-N 1 1 350.503 3.380 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125004 730588503 /nfs/dbraw/zinc/58/85/03/730588503.db2.gz KXVFDXRNXNSUDD-UONOGXRCSA-N 1 1 353.304 3.285 20 10 FGCDMO [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126618 730588706 /nfs/dbraw/zinc/58/87/06/730588706.db2.gz LWGITGGNTOJKJV-KGLIPLIRSA-N 1 1 353.304 3.366 20 10 FGCDMO [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126618 730588711 /nfs/dbraw/zinc/58/87/11/730588711.db2.gz LWGITGGNTOJKJV-KGLIPLIRSA-N 1 1 353.304 3.366 20 10 FGCDMO [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126639 730588749 /nfs/dbraw/zinc/58/87/49/730588749.db2.gz MLIRQBBIICTLNC-KBPBESRZSA-N 1 1 353.304 3.366 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843126598 730588769 /nfs/dbraw/zinc/58/87/69/730588769.db2.gz LBUBYAAGNGEDOE-STQMWFEESA-N 1 1 353.850 3.165 20 10 FGCDMO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)[C@@H](C)C1 ZINC000846145878 730932040 /nfs/dbraw/zinc/93/20/40/730932040.db2.gz PLRBRXBNBISLHM-JZXOWHBKSA-N 1 1 350.503 3.188 20 10 FGCDMO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCN(C)C2)c1O ZINC000848527369 731175562 /nfs/dbraw/zinc/17/55/62/731175562.db2.gz AKIBVLWGSJPMQA-VXGBXAGGSA-N 1 1 357.292 3.156 20 10 FGCDMO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)[nH]1 ZINC000848534995 731177296 /nfs/dbraw/zinc/17/72/96/731177296.db2.gz AALQVUZAPFFKLU-IUCAKERBSA-N 1 1 369.263 3.256 20 10 FGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1O ZINC000848910399 731219430 /nfs/dbraw/zinc/21/94/30/731219430.db2.gz KSHBRUFGQMELDH-ZDUSSCGKSA-N 1 1 358.404 3.235 20 10 FGCDMO Oc1ccc(Br)cc1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000849349667 731251171 /nfs/dbraw/zinc/25/11/71/731251171.db2.gz HIYTZGNEZCNFQB-IAGOWNOFSA-N 1 1 361.283 3.390 20 10 FGCDMO COc1cc(Cl)cc(C[NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)c1O ZINC000849350120 731251515 /nfs/dbraw/zinc/25/15/15/731251515.db2.gz QKFRUBWOYOBRQO-IAGOWNOFSA-N 1 1 364.848 3.429 20 10 FGCDMO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc(C)cc(Br)c2O)C1 ZINC000850353775 731347119 /nfs/dbraw/zinc/34/71/19/731347119.db2.gz MJJQWZFFXHPVSM-XNRPHZJLSA-N 1 1 372.303 3.119 20 10 FGCDMO Fc1cc(C[NH2+][C@H]2CCCc3scnc32)cc(F)c1N1CCOCC1 ZINC000858425458 732213805 /nfs/dbraw/zinc/21/38/05/732213805.db2.gz GFILWBTVEYLCGR-HNNXBMFYSA-N 1 1 365.449 3.425 20 10 FGCDMO Cc1ccncc1N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862352283 732814103 /nfs/dbraw/zinc/81/41/03/732814103.db2.gz CGKXXNYEKMIZOV-UHFFFAOYSA-N 1 1 362.271 3.180 20 10 FGCDMO CCc1cc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872794426 735677576 /nfs/dbraw/zinc/67/75/76/735677576.db2.gz IXARGXYXAIRMPF-WBVHZDCISA-N 1 1 365.539 3.119 20 10 FGCDMO CO[C@H]1C[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)Cc3cccnc3N2C1 ZINC000877687898 736704858 /nfs/dbraw/zinc/70/48/58/736704858.db2.gz NFAMACDFUJXEJN-GJZGRUSLSA-N 1 1 359.857 3.050 20 10 FGCDMO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000878241100 736794019 /nfs/dbraw/zinc/79/40/19/736794019.db2.gz BMSFOPPDPOWLRN-GFCCVEGCSA-N 1 1 362.451 3.008 20 10 FGCDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cs1 ZINC000886747124 739290829 /nfs/dbraw/zinc/29/08/29/739290829.db2.gz LQCUPPWMOUTMPP-ZDUSSCGKSA-N 1 1 358.511 3.004 20 10 FGCDMO CC[N@@H+](CCNC(=O)NCc1cccc(Cl)c1O)CCC(F)(F)F ZINC000894429195 742282448 /nfs/dbraw/zinc/28/24/48/742282448.db2.gz CHVGFOZEPGTNRM-UHFFFAOYSA-N 1 1 367.799 3.119 20 10 FGCDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000897576241 742691558 /nfs/dbraw/zinc/69/15/58/742691558.db2.gz CINIWQGELVQWAH-LBPRGKRZSA-N 1 1 366.259 3.301 20 10 FGCDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000899019094 742856514 /nfs/dbraw/zinc/85/65/14/742856514.db2.gz FIORIIUZPVQLPD-CYBMUJFWSA-N 1 1 360.479 3.164 20 10 FGCDMO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000903193950 743820386 /nfs/dbraw/zinc/82/03/86/743820386.db2.gz XESPXCOMEWUNMM-CYBMUJFWSA-N 1 1 361.486 3.458 20 10 FGCDMO Cc1sc(C[NH3+])nc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000911632963 757198813 /nfs/dbraw/zinc/19/88/13/757198813.db2.gz NBSZJXOBYCOWIQ-UHFFFAOYSA-N 1 1 358.511 3.173 20 10 FGCDMO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3[O-])C2)[C@@H]1C(C)C ZINC000922393220 758912826 /nfs/dbraw/zinc/91/28/26/758912826.db2.gz QREIZHVBNNQCLQ-OQIJWPOYSA-N 1 1 352.906 3.005 20 10 FGCDMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3[O-])C2)[C@@H]1C(C)C ZINC000922393220 758912832 /nfs/dbraw/zinc/91/28/32/758912832.db2.gz QREIZHVBNNQCLQ-OQIJWPOYSA-N 1 1 352.906 3.005 20 10 FGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c1O ZINC000925775604 759534115 /nfs/dbraw/zinc/53/41/15/759534115.db2.gz HTJLFNHHNMJQGC-GHMZBOCLSA-N 1 1 363.246 3.359 20 10 FGCDMO C[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1O ZINC000926906615 759841846 /nfs/dbraw/zinc/84/18/46/759841846.db2.gz XBILUSXGKAOPHB-GFCCVEGCSA-N 1 1 353.871 3.342 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](n3cccn3)C2)c1O ZINC000092967176 494797278 /nfs/dbraw/zinc/79/72/78/494797278.db2.gz ZPXFZYBOCVXSNZ-CQSZACIVSA-N 1 1 366.259 3.197 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(O)c1 ZINC000093134353 494832175 /nfs/dbraw/zinc/83/21/75/494832175.db2.gz FPQUDEMERFMSCX-MRXNPFEDSA-N 1 1 356.470 3.098 20 10 FGCDMO O=C(CC(F)(F)F)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000129957857 495319902 /nfs/dbraw/zinc/31/99/02/495319902.db2.gz SWNKHZKLYFVMDQ-LBPRGKRZSA-N 1 1 350.768 3.079 20 10 FGCDMO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1[O-] ZINC000185414153 495568636 /nfs/dbraw/zinc/56/86/36/495568636.db2.gz OAGJBPUILUOJNE-DZGCQCFKSA-N 1 1 371.319 3.042 20 10 FGCDMO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1[O-] ZINC000185414153 495568642 /nfs/dbraw/zinc/56/86/42/495568642.db2.gz OAGJBPUILUOJNE-DZGCQCFKSA-N 1 1 371.319 3.042 20 10 FGCDMO CC(=O)c1cc(F)cc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1O ZINC000185447379 495580468 /nfs/dbraw/zinc/58/04/68/495580468.db2.gz JXPZMTAUENAOLL-IBGZPJMESA-N 1 1 371.387 3.486 20 10 FGCDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)c(O)c1O ZINC000179529597 495628720 /nfs/dbraw/zinc/62/87/20/495628720.db2.gz ZWAQSCNLXSYYFA-GOSISDBHSA-N 1 1 368.477 3.390 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3cnc(C)nc3C)cc2F)CC1 ZINC000155276972 495901250 /nfs/dbraw/zinc/90/12/50/495901250.db2.gz PVVPIRLAONHBSD-HNNXBMFYSA-N 1 1 371.504 3.225 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1ccc(-n2ccnc2)nc1)C[C@H]1CCCO1 ZINC000177153377 495950559 /nfs/dbraw/zinc/95/05/59/495950559.db2.gz RSLWXQOLNQOHEU-LJQANCHMSA-N 1 1 364.449 3.154 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000183381308 495955663 /nfs/dbraw/zinc/95/56/63/495955663.db2.gz HXPZUZSXDALKTA-AWEZNQCLSA-N 1 1 368.437 3.183 20 10 FGCDMO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cccc(OC)c3O)n2)c1 ZINC000174658567 496049361 /nfs/dbraw/zinc/04/93/61/496049361.db2.gz WBJWCTGNOHHITK-LBPRGKRZSA-N 1 1 355.394 3.310 20 10 FGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CCN1C ZINC000163393328 496508693 /nfs/dbraw/zinc/50/86/93/496508693.db2.gz JEYQGULNQZNRRK-ZBFHGGJFSA-N 1 1 371.447 3.114 20 10 FGCDMO C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@@H+]1C ZINC000163393328 496508697 /nfs/dbraw/zinc/50/86/97/496508697.db2.gz JEYQGULNQZNRRK-ZBFHGGJFSA-N 1 1 371.447 3.114 20 10 FGCDMO C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@H+]1C ZINC000163393328 496508702 /nfs/dbraw/zinc/50/87/02/496508702.db2.gz JEYQGULNQZNRRK-ZBFHGGJFSA-N 1 1 371.447 3.114 20 10 FGCDMO C[C@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccc(F)cc1O ZINC000185197603 496700984 /nfs/dbraw/zinc/70/09/84/496700984.db2.gz GVAFLCAKXVNAPB-INIZCTEOSA-N 1 1 374.456 3.093 20 10 FGCDMO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cc2c(cc1O)CCCC2 ZINC000273355812 496782183 /nfs/dbraw/zinc/78/21/83/496782183.db2.gz CQOLYMUDEMKHMK-RVHYNSKXSA-N 1 1 358.526 3.299 20 10 FGCDMO O=C(NCc1ccccc1O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000264823333 496992382 /nfs/dbraw/zinc/99/23/82/496992382.db2.gz YHKJRECNLDPSSY-IHWFROFDSA-N 1 1 365.477 3.387 20 10 FGCDMO COC[C@H](C)OC[C@H](O)C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000278430993 497111792 /nfs/dbraw/zinc/11/17/92/497111792.db2.gz UWQVSBCALNSACF-WAOWUJCRSA-N 1 1 373.493 3.368 20 10 FGCDMO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237585582 497259721 /nfs/dbraw/zinc/25/97/21/497259721.db2.gz KQXSMSHHRIYFJH-DYESRHJHSA-N 1 1 351.494 3.323 20 10 FGCDMO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)CC2 ZINC000193019612 497277162 /nfs/dbraw/zinc/27/71/62/497277162.db2.gz COYDRTRDEBXBNF-NXEZZACHSA-N 1 1 371.268 3.103 20 10 FGCDMO Cn1cnc2cc(C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)ccc21 ZINC000271859217 497472244 /nfs/dbraw/zinc/47/22/44/497472244.db2.gz YEBYXCGCNCEDKA-UHFFFAOYSA-N 1 1 350.466 3.042 20 10 FGCDMO COc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1O ZINC000276937215 497692560 /nfs/dbraw/zinc/69/25/60/497692560.db2.gz NALAVKMQOQLWSZ-INIZCTEOSA-N 1 1 373.453 3.405 20 10 FGCDMO COc1cccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c1O ZINC000276937215 497692564 /nfs/dbraw/zinc/69/25/64/497692564.db2.gz NALAVKMQOQLWSZ-INIZCTEOSA-N 1 1 373.453 3.405 20 10 FGCDMO COc1cc(O)c(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1OC ZINC000285222245 498025427 /nfs/dbraw/zinc/02/54/27/498025427.db2.gz UYFUAIGMKBBMEB-QRVBRYPASA-N 1 1 369.461 3.414 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289857892 498324999 /nfs/dbraw/zinc/32/49/99/498324999.db2.gz VIEPGHQXWQQLCP-PWSUYJOCSA-N 1 1 353.768 3.047 20 10 FGCDMO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(F)cc1O ZINC000287294734 498704693 /nfs/dbraw/zinc/70/46/93/498704693.db2.gz DIBGHBWMWVMGQS-MRXNPFEDSA-N 1 1 372.506 3.165 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372854520 499184518 /nfs/dbraw/zinc/18/45/18/499184518.db2.gz DSDLZPMJRHAVQB-UTKZUKDTSA-N 1 1 353.510 3.003 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000370374044 499214213 /nfs/dbraw/zinc/21/42/13/499214213.db2.gz MAZPFJBJWBIUDA-WBVHZDCISA-N 1 1 356.441 3.273 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)ccc1[N+](=O)[O-] ZINC000367959723 499249987 /nfs/dbraw/zinc/24/99/87/499249987.db2.gz VZCFMQVNEGFYCL-WBVHZDCISA-N 1 1 358.394 3.319 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1O ZINC000371332536 499311554 /nfs/dbraw/zinc/31/15/54/499311554.db2.gz QHWUTXDIMHFRBD-RYUDHWBXSA-N 1 1 356.260 3.022 20 10 FGCDMO Cc1cc(O)c(C[N@@H+]2CCCN(Cc3noc(C(C)C)n3)CC2)cc1C ZINC000371377641 499317147 /nfs/dbraw/zinc/31/71/47/499317147.db2.gz DTQJKRIGLYKNDM-UHFFFAOYSA-N 1 1 358.486 3.223 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC=C(F)C2)C1 ZINC000444353968 500838645 /nfs/dbraw/zinc/83/86/45/500838645.db2.gz VOIOVRHGZAVPOX-UHFFFAOYSA-N 1 1 355.457 3.494 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)ccc21 ZINC000467030182 502764394 /nfs/dbraw/zinc/76/43/94/502764394.db2.gz DFGFQUNFQVCQMN-VBKZILBWSA-N 1 1 369.509 3.117 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)CC3(C)C)ccc21 ZINC000500481613 503633574 /nfs/dbraw/zinc/63/35/74/503633574.db2.gz BCCBCEABMBRNKJ-UHFFFAOYSA-N 1 1 357.498 3.071 20 10 FGCDMO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000528151742 504094840 /nfs/dbraw/zinc/09/48/40/504094840.db2.gz UXRNKWCOILMJDV-GOEBONIOSA-N 1 1 361.486 3.168 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2Cc3cccnc3C2)C1 ZINC000563019039 505022608 /nfs/dbraw/zinc/02/26/08/505022608.db2.gz STKRRLKNZYMJQQ-UHFFFAOYSA-N 1 1 374.488 3.345 20 10 FGCDMO COCC1(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CCC1 ZINC000557198036 505090887 /nfs/dbraw/zinc/09/08/87/505090887.db2.gz UJNMXKGHZDPMKT-UHFFFAOYSA-N 1 1 369.509 3.093 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1-c1nn[nH]n1 ZINC000821611018 607113145 /nfs/dbraw/zinc/11/31/45/607113145.db2.gz NUZIAFWNFITCMB-UHFFFAOYSA-N 1 1 362.481 3.489 20 10 FGCDMO CC[N@@H+](CC(=O)NC(C)(C)CC)Cc1cc(Br)ccc1O ZINC000076118580 700224535 /nfs/dbraw/zinc/22/45/35/700224535.db2.gz XYPPEBVWIUJVJF-UHFFFAOYSA-N 1 1 357.292 3.281 20 10 FGCDMO CCS[C@@H]1CCCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000078650696 700284436 /nfs/dbraw/zinc/28/44/36/700284436.db2.gz NTJMIZHEEOAPGI-LJQANCHMSA-N 1 1 363.571 3.319 20 10 FGCDMO C[N@@H+](CCCNC(=O)C(F)(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000091530969 700421330 /nfs/dbraw/zinc/42/13/30/700421330.db2.gz CTFTXCHAZBRJFY-UHFFFAOYSA-N 1 1 357.420 3.177 20 10 FGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093418959 700451600 /nfs/dbraw/zinc/45/16/00/700451600.db2.gz ZHXNABRTMBUZAF-GFCCVEGCSA-N 1 1 358.276 3.412 20 10 FGCDMO Cc1noc(C)c1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134260787 704817989 /nfs/dbraw/zinc/81/79/89/704817989.db2.gz VEAGTLILHZKEOU-OAHLLOKOSA-N 1 1 363.845 3.045 20 10 FGCDMO Cc1noc(C)c1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134260787 704817995 /nfs/dbraw/zinc/81/79/95/704817995.db2.gz VEAGTLILHZKEOU-OAHLLOKOSA-N 1 1 363.845 3.045 20 10 FGCDMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000158618426 705192945 /nfs/dbraw/zinc/19/29/45/705192945.db2.gz IDKGCPZDBVERJU-KGLIPLIRSA-N 1 1 351.443 3.353 20 10 FGCDMO CCC[N@H+](Cc1ccc(N(CC)CC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179640740 705708846 /nfs/dbraw/zinc/70/88/46/705708846.db2.gz KHBCJEMVTRKEFJ-MRXNPFEDSA-N 1 1 356.507 3.071 20 10 FGCDMO CCC[N@@H+](Cc1ccc(N(CC)CC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179640740 705708848 /nfs/dbraw/zinc/70/88/48/705708848.db2.gz KHBCJEMVTRKEFJ-MRXNPFEDSA-N 1 1 356.507 3.071 20 10 FGCDMO C[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C[C@H]1n1ccnc1 ZINC000245737770 713611084 /nfs/dbraw/zinc/61/10/84/713611084.db2.gz FVZKJCMLRRDUTI-IUODEOHRSA-N 1 1 350.260 3.434 20 10 FGCDMO C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C[C@H]1n1ccnc1 ZINC000245737770 713611085 /nfs/dbraw/zinc/61/10/85/713611085.db2.gz FVZKJCMLRRDUTI-IUODEOHRSA-N 1 1 350.260 3.434 20 10 FGCDMO COc1cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c(O)c(C(C)(C)C)c1 ZINC000246766883 713630535 /nfs/dbraw/zinc/63/05/35/713630535.db2.gz OYRANZFXBFJDEH-SJORKVTESA-N 1 1 351.512 3.405 20 10 FGCDMO C[C@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000705921023 722412018 /nfs/dbraw/zinc/41/20/18/722412018.db2.gz AXQLPVLRMMXSGN-ZDUSSCGKSA-N 1 1 356.438 3.065 20 10 FGCDMO CC[N@@H+](CC(=O)NC1CCCCC1)Cc1cc(Br)ccc1O ZINC000744427128 722576858 /nfs/dbraw/zinc/57/68/58/722576858.db2.gz ZGKCZRCFFVULAX-UHFFFAOYSA-N 1 1 369.303 3.426 20 10 FGCDMO CC(C)OCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000752595410 722864163 /nfs/dbraw/zinc/86/41/63/722864163.db2.gz FCZNPOUZKZYTEX-KRWDZBQOSA-N 1 1 368.905 3.331 20 10 FGCDMO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756475890 722965303 /nfs/dbraw/zinc/96/53/03/722965303.db2.gz PIMJCGUHOAISCB-LBPRGKRZSA-N 1 1 355.406 3.185 20 10 FGCDMO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc(Br)c(F)cc1O ZINC000756587580 722967275 /nfs/dbraw/zinc/96/72/75/722967275.db2.gz BKTBWDQSYLVBOH-LXGOIASLSA-N 1 1 366.296 3.492 20 10 FGCDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCCSc2nccs2)C[C@H]1C ZINC000759601303 723011264 /nfs/dbraw/zinc/01/12/64/723011264.db2.gz HFESDBGAKJATPA-KGLIPLIRSA-N 1 1 356.561 3.140 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000790930646 723195019 /nfs/dbraw/zinc/19/50/19/723195019.db2.gz BILAHQHQAOTZTN-DCGLDWPTSA-N 1 1 370.287 3.231 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000790930646 723195021 /nfs/dbraw/zinc/19/50/21/723195021.db2.gz BILAHQHQAOTZTN-DCGLDWPTSA-N 1 1 370.287 3.231 20 10 FGCDMO NC(=O)[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)Cc1ccccc1Cl ZINC000790990417 723202903 /nfs/dbraw/zinc/20/29/03/723202903.db2.gz NOINBVRLQUJXJC-NSHDSACASA-N 1 1 371.239 3.272 20 10 FGCDMO OC[C@H](C[NH2+]Cc1cccc(F)c1O)Cc1cccc(Br)c1 ZINC000763447363 723343678 /nfs/dbraw/zinc/34/36/78/723343678.db2.gz ZGHNVYXBOOVMFK-ZDUSSCGKSA-N 1 1 368.246 3.235 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1O ZINC000793609572 723454275 /nfs/dbraw/zinc/45/42/75/723454275.db2.gz OWGSAHTUONABGZ-ZIAGYGMSSA-N 1 1 356.260 3.307 20 10 FGCDMO COc1cc(Cl)cc(CN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c1O ZINC000793621483 723456289 /nfs/dbraw/zinc/45/62/89/723456289.db2.gz XCQKPWMQCSYASG-GOSISDBHSA-N 1 1 360.885 3.413 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c1O ZINC000793621483 723456292 /nfs/dbraw/zinc/45/62/92/723456292.db2.gz XCQKPWMQCSYASG-GOSISDBHSA-N 1 1 360.885 3.413 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c1O ZINC000793621483 723456296 /nfs/dbraw/zinc/45/62/96/723456296.db2.gz XCQKPWMQCSYASG-GOSISDBHSA-N 1 1 360.885 3.413 20 10 FGCDMO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)s1 ZINC000794827996 723547920 /nfs/dbraw/zinc/54/79/20/723547920.db2.gz NPPRYBSDKNZXGV-SECBINFHSA-N 1 1 361.435 3.376 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2nsnc21 ZINC000766005813 723551114 /nfs/dbraw/zinc/55/11/14/723551114.db2.gz JBVRPXYENHGMHI-UHFFFAOYSA-N 1 1 354.479 3.160 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ncc[nH]1 ZINC000796693121 723650525 /nfs/dbraw/zinc/65/05/25/723650525.db2.gz DWHMBLQMGMYGON-LBPRGKRZSA-N 1 1 354.376 3.116 20 10 FGCDMO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768445853 723657986 /nfs/dbraw/zinc/65/79/86/723657986.db2.gz JSTKHUCORZYGCV-PKOBYXMFSA-N 1 1 357.475 3.417 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](Oc3ccccc3Cl)C1)[C@@H](O)CO2 ZINC000768463443 723658351 /nfs/dbraw/zinc/65/83/51/723658351.db2.gz TYDTZWGOYAXAPN-GUYCJALGSA-N 1 1 361.825 3.125 20 10 FGCDMO CCCN(CCC)c1ccc(C[NH+]2CCC(S(C)(=O)=O)CC2)cc1 ZINC000769485421 723686979 /nfs/dbraw/zinc/68/69/79/723686979.db2.gz SMCAIFSVOSEOJQ-UHFFFAOYSA-N 1 1 352.544 3.322 20 10 FGCDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000769548190 723689432 /nfs/dbraw/zinc/68/94/32/723689432.db2.gz HVTCYFDJRDCCFR-AZUAARDMSA-N 1 1 350.478 3.298 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1O ZINC000770285208 723710332 /nfs/dbraw/zinc/71/03/32/723710332.db2.gz DSUOVGVUKUVWDA-RISCZKNCSA-N 1 1 356.260 3.164 20 10 FGCDMO CC1=C(Br)C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000797606019 723841418 /nfs/dbraw/zinc/84/14/18/723841418.db2.gz ZZNAMBZTRMDNOU-UHFFFAOYSA-N 1 1 351.288 3.398 20 10 FGCDMO CC1=C(Br)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000797606019 723841428 /nfs/dbraw/zinc/84/14/28/723841428.db2.gz ZZNAMBZTRMDNOU-UHFFFAOYSA-N 1 1 351.288 3.398 20 10 FGCDMO C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(F)cc1O ZINC000774397130 723888930 /nfs/dbraw/zinc/88/89/30/723888930.db2.gz RCAVILXRHLFNTK-CMPLNLGQSA-N 1 1 357.347 3.450 20 10 FGCDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1(CC)CC ZINC000775028632 723953720 /nfs/dbraw/zinc/95/37/20/723953720.db2.gz GJCRCJJWLLBVJV-HUUCEWRRSA-N 1 1 352.431 3.382 20 10 FGCDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000775143781 723963640 /nfs/dbraw/zinc/96/36/40/723963640.db2.gz BYYIVPYYAXCCMU-RNCFNFMXSA-N 1 1 368.193 3.290 20 10 FGCDMO COc1cc2c(cc1C[NH2+]Cc1cccc(Br)c1O)OCO2 ZINC000775154305 723965429 /nfs/dbraw/zinc/96/54/29/723965429.db2.gz ZLKQFTGKKVFAMF-UHFFFAOYSA-N 1 1 366.211 3.182 20 10 FGCDMO CCOC(=O)CC[N@@H+](Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000775662238 724018380 /nfs/dbraw/zinc/01/83/80/724018380.db2.gz BZUPQUKYZKGNDA-UHFFFAOYSA-N 1 1 356.260 3.381 20 10 FGCDMO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000775992989 724094410 /nfs/dbraw/zinc/09/44/10/724094410.db2.gz OEORFLATUANTMX-MAUKXSAKSA-N 1 1 353.846 3.460 20 10 FGCDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000786578080 724989523 /nfs/dbraw/zinc/98/95/23/724989523.db2.gz GPFZYUKQCVIQAY-DFBGVHRSSA-N 1 1 368.271 3.237 20 10 FGCDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000786578080 724989527 /nfs/dbraw/zinc/98/95/27/724989527.db2.gz GPFZYUKQCVIQAY-DFBGVHRSSA-N 1 1 368.271 3.237 20 10 FGCDMO CC1(C)CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000787449142 725028801 /nfs/dbraw/zinc/02/88/01/725028801.db2.gz JFHSOVVUBALPFF-NVXWUHKLSA-N 1 1 366.889 3.084 20 10 FGCDMO Cc1cc(Br)cc(CNc2c[nH+]ccc2-n2ccnn2)c1O ZINC000809726793 725263272 /nfs/dbraw/zinc/26/32/72/725263272.db2.gz OWOVAUFBMNUIAN-UHFFFAOYSA-N 1 1 360.215 3.051 20 10 FGCDMO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2cc3c(cc2O)OCO3)C1 ZINC000809768557 725266534 /nfs/dbraw/zinc/26/65/34/725266534.db2.gz ONJQIPHNVABMLU-DZGCQCFKSA-N 1 1 359.447 3.122 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+](C)CCn2cc(Br)cn2)c1O ZINC000809793340 725269365 /nfs/dbraw/zinc/26/93/65/725269365.db2.gz WJZRXYKCSXGJNV-UHFFFAOYSA-N 1 1 374.666 3.145 20 10 FGCDMO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1F ZINC000811877334 725383767 /nfs/dbraw/zinc/38/37/67/725383767.db2.gz LNAOOGJHKSGOPQ-HNNXBMFYSA-N 1 1 352.498 3.200 20 10 FGCDMO C[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[N@H+](C2CCC2)C1 ZINC000813681419 726904681 /nfs/dbraw/zinc/90/46/81/726904681.db2.gz ORMWKUQMTAOXHX-AWEZNQCLSA-N 1 1 368.572 3.141 20 10 FGCDMO Cc1cc(C[N@@H+](C)CCn2cc(Br)cn2)ccc1N(C)C ZINC000815120351 727040934 /nfs/dbraw/zinc/04/09/34/727040934.db2.gz PWWIVKSLECXKFN-UHFFFAOYSA-N 1 1 351.292 3.152 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000815594505 727085749 /nfs/dbraw/zinc/08/57/49/727085749.db2.gz QLXIYYQJPWINIG-SDDRHHMPSA-N 1 1 365.417 3.417 20 10 FGCDMO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cccc(C(F)(F)F)c1O ZINC000815625990 727087311 /nfs/dbraw/zinc/08/73/11/727087311.db2.gz RTVCKUMWDPJSNH-LLVKDONJSA-N 1 1 365.417 3.419 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1 ZINC000816624670 727181649 /nfs/dbraw/zinc/18/16/49/727181649.db2.gz CLQPCPTVXHCXFW-MRXNPFEDSA-N 1 1 364.283 3.499 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1 ZINC000816624670 727181652 /nfs/dbraw/zinc/18/16/52/727181652.db2.gz CLQPCPTVXHCXFW-MRXNPFEDSA-N 1 1 364.283 3.499 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)c1O ZINC000816662664 727187286 /nfs/dbraw/zinc/18/72/86/727187286.db2.gz UYYVYPYDUCVBEX-KRWDZBQOSA-N 1 1 372.303 3.394 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](CCO)CC2)c1O ZINC000817419231 727249976 /nfs/dbraw/zinc/24/99/76/727249976.db2.gz RCXPZUKFOHLAHI-LBPRGKRZSA-N 1 1 358.276 3.148 20 10 FGCDMO OCC1([C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C2CCOCC2)CCC1 ZINC000822525362 729190451 /nfs/dbraw/zinc/19/04/51/729190451.db2.gz FIUKMKWGOGIMFM-QGZVFWFLSA-N 1 1 357.853 3.232 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000824767745 729358408 /nfs/dbraw/zinc/35/84/08/729358408.db2.gz APFBYOUGSUXKFE-ZYHUDNBSSA-N 1 1 354.166 3.042 20 10 FGCDMO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000824767745 729358409 /nfs/dbraw/zinc/35/84/09/729358409.db2.gz APFBYOUGSUXKFE-ZYHUDNBSSA-N 1 1 354.166 3.042 20 10 FGCDMO Cc1cc([O-])c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1Cl ZINC000824884050 729363668 /nfs/dbraw/zinc/36/36/68/729363668.db2.gz SJKOFCLLRMWZMM-UHFFFAOYSA-N 1 1 352.906 3.431 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124813 729372131 /nfs/dbraw/zinc/37/21/31/729372131.db2.gz YRMCJJWLQHVPRL-ZANVPECISA-N 1 1 368.193 3.208 20 10 FGCDMO O=C1NCCCN1c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000827762285 729434408 /nfs/dbraw/zinc/43/44/08/729434408.db2.gz FOIJBNMRVUVFBP-UHFFFAOYSA-N 1 1 363.820 3.394 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828987638 729450775 /nfs/dbraw/zinc/45/07/75/729450775.db2.gz IKCIFMKPCSXRLT-SJCJKPOMSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)[C@@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828987638 729450776 /nfs/dbraw/zinc/45/07/76/729450776.db2.gz IKCIFMKPCSXRLT-SJCJKPOMSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C(C)(C)CN2CCOCC2)c1 ZINC000840975811 730200075 /nfs/dbraw/zinc/20/00/75/730200075.db2.gz ALSMGOLWXAECCK-UHFFFAOYSA-N 1 1 371.319 3.006 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C(C)(C)CN2CCOCC2)c1 ZINC000840975811 730200076 /nfs/dbraw/zinc/20/00/76/730200076.db2.gz ALSMGOLWXAECCK-UHFFFAOYSA-N 1 1 371.319 3.006 20 10 FGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(Br)cc2F)cc1 ZINC000841041849 730205372 /nfs/dbraw/zinc/20/53/72/730205372.db2.gz FSVLPLCQLNZACG-QGZVFWFLSA-N 1 1 366.278 3.444 20 10 FGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000841042025 730205514 /nfs/dbraw/zinc/20/55/14/730205514.db2.gz GUTYBLMELYAEOL-AWEZNQCLSA-N 1 1 354.317 3.366 20 10 FGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000841043275 730205789 /nfs/dbraw/zinc/20/57/89/730205789.db2.gz QKMGZVFVZCEZIC-GOSISDBHSA-N 1 1 355.511 3.004 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000841087437 730209247 /nfs/dbraw/zinc/20/92/47/730209247.db2.gz NMTMPLFWHSLBOU-CZUORRHYSA-N 1 1 353.304 3.427 20 10 FGCDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000842643335 730524100 /nfs/dbraw/zinc/52/41/00/730524100.db2.gz NBWCTVYLQBMQKV-QGZVFWFLSA-N 1 1 352.356 3.046 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCN(C)C2)c1O ZINC000848527367 731175630 /nfs/dbraw/zinc/17/56/30/731175630.db2.gz AKIBVLWGSJPMQA-NWDGAFQWSA-N 1 1 357.292 3.156 20 10 FGCDMO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)c1O ZINC000848552323 731180454 /nfs/dbraw/zinc/18/04/54/731180454.db2.gz BJTHGQJALZVDIV-MRVPVSSYSA-N 1 1 367.247 3.010 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)c1O ZINC000848552325 731180581 /nfs/dbraw/zinc/18/05/81/731180581.db2.gz BJTHGQJALZVDIV-QMMMGPOBSA-N 1 1 367.247 3.010 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1[O-] ZINC000850510567 731366970 /nfs/dbraw/zinc/36/69/70/731366970.db2.gz YITUMFLOWNZUET-KDOFPFPSSA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1[O-] ZINC000850510567 731366972 /nfs/dbraw/zinc/36/69/72/731366972.db2.gz YITUMFLOWNZUET-KDOFPFPSSA-N 1 1 360.885 3.463 20 10 FGCDMO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000850555927 731372417 /nfs/dbraw/zinc/37/24/17/731372417.db2.gz JYRISXAFZCWXQW-SNVBAGLBSA-N 1 1 351.390 3.029 20 10 FGCDMO CN(C)c1cc(F)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1F ZINC000862237031 732793558 /nfs/dbraw/zinc/79/35/58/732793558.db2.gz VCGRAFBGTKBDQB-MRXNPFEDSA-N 1 1 354.441 3.191 20 10 FGCDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862249465 732798481 /nfs/dbraw/zinc/79/84/81/732798481.db2.gz PXLQKSJRQOBWQL-LLVKDONJSA-N 1 1 356.260 3.318 20 10 FGCDMO CC1([C@@H]2CCC[N@@H+](Cc3c(O)cccc3Br)C2)OCCO1 ZINC000862322513 732807563 /nfs/dbraw/zinc/80/75/63/732807563.db2.gz MTZXRHNMVOWDJL-GFCCVEGCSA-N 1 1 356.260 3.130 20 10 FGCDMO OC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@@H]1C(F)(F)F ZINC000862364613 732816439 /nfs/dbraw/zinc/81/64/39/732816439.db2.gz FLDZITRSSBZHGD-KOLCDFICSA-N 1 1 368.193 3.147 20 10 FGCDMO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c([O-])cccc3Br)C2)CC1 ZINC000862367533 732817439 /nfs/dbraw/zinc/81/74/39/732817439.db2.gz MAYBDKVVUJTCNB-CQSZACIVSA-N 1 1 353.304 3.318 20 10 FGCDMO C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c([O-])cccc3Br)C2)CC1 ZINC000862367533 732817442 /nfs/dbraw/zinc/81/74/42/732817442.db2.gz MAYBDKVVUJTCNB-CQSZACIVSA-N 1 1 353.304 3.318 20 10 FGCDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1)C(N)=O ZINC000862383431 732820885 /nfs/dbraw/zinc/82/08/85/732820885.db2.gz SKALSBBWSYOJHQ-GFCCVEGCSA-N 1 1 369.303 3.268 20 10 FGCDMO C[C@H](C[N@H+](C)Cc1cccc(Br)c1O)NC(=O)OC(C)(C)C ZINC000862541558 732848243 /nfs/dbraw/zinc/84/82/43/732848243.db2.gz WGDNSLUCGLEZHZ-LLVKDONJSA-N 1 1 373.291 3.500 20 10 FGCDMO C[C@H](C[N@@H+](C)Cc1cccc(Br)c1O)NC(=O)OC(C)(C)C ZINC000862541558 732848247 /nfs/dbraw/zinc/84/82/47/732848247.db2.gz WGDNSLUCGLEZHZ-LLVKDONJSA-N 1 1 373.291 3.500 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc1C(C)C ZINC000872807149 735680691 /nfs/dbraw/zinc/68/06/91/735680691.db2.gz KUFPKLSZFTZQML-KDURUIRLSA-N 1 1 351.512 3.081 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2F)C[C@H](C)O1 ZINC000876946997 736166506 /nfs/dbraw/zinc/16/65/06/736166506.db2.gz YQCVJHREBJKMLO-BETUJISGSA-N 1 1 364.852 3.173 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c1 ZINC000886331401 739245848 /nfs/dbraw/zinc/24/58/48/739245848.db2.gz FRRBBDRXHUEZGK-JDFRZJQESA-N 1 1 370.287 3.279 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC000895837104 742460432 /nfs/dbraw/zinc/46/04/32/742460432.db2.gz RGCAALAXRSWOKH-ZDUSSCGKSA-N 1 1 368.193 3.210 20 10 FGCDMO Cc1nc(CC2CC[NH+](Cc3cccc(Br)c3O)CC2)no1 ZINC000896550896 742564674 /nfs/dbraw/zinc/56/46/74/742564674.db2.gz GSMCAMSSLAZGRH-UHFFFAOYSA-N 1 1 366.259 3.301 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](c3ncc(C(=O)OC)s3)C2)c1 ZINC000896970101 742624322 /nfs/dbraw/zinc/62/43/22/742624322.db2.gz QVYFLAYWSNPGPM-LBPRGKRZSA-N 1 1 362.451 3.024 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000897615747 742695382 /nfs/dbraw/zinc/69/53/82/742695382.db2.gz DMYZJTRXZRLNJH-LLVKDONJSA-N 1 1 353.344 3.199 20 10 FGCDMO Cc1ccc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000072878896 494274733 /nfs/dbraw/zinc/27/47/33/494274733.db2.gz HWWOTNVTUJUSNQ-UHFFFAOYSA-N 1 1 367.493 3.211 20 10 FGCDMO Cc1ccc(C)c(NC(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000072878896 494274735 /nfs/dbraw/zinc/27/47/35/494274735.db2.gz HWWOTNVTUJUSNQ-UHFFFAOYSA-N 1 1 367.493 3.211 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c1O ZINC000092149155 494800932 /nfs/dbraw/zinc/80/09/32/494800932.db2.gz OZTBEVPNPMTUPA-UHFFFAOYSA-N 1 1 360.479 3.201 20 10 FGCDMO Oc1ccccc1C[N@@H+](Cc1nc(-c2ccco2)no1)C[C@@H]1CCCO1 ZINC000109761790 494915685 /nfs/dbraw/zinc/91/56/85/494915685.db2.gz KWNOCKRMTAEQCZ-HNNXBMFYSA-N 1 1 355.394 3.216 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1nc(-c2ccco2)no1)C[C@@H]1CCCO1 ZINC000109761790 494915687 /nfs/dbraw/zinc/91/56/87/494915687.db2.gz KWNOCKRMTAEQCZ-HNNXBMFYSA-N 1 1 355.394 3.216 20 10 FGCDMO CCOc1cccc(C[N@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)c1O ZINC000093770996 494919732 /nfs/dbraw/zinc/91/97/32/494919732.db2.gz VXDADFAENZEMLA-CQSZACIVSA-N 1 1 360.420 3.497 20 10 FGCDMO Oc1ccc(Br)cc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000136855362 495406174 /nfs/dbraw/zinc/40/61/74/495406174.db2.gz NFXNQLWXPCZLOZ-UHFFFAOYSA-N 1 1 354.166 3.044 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCOCC3(CCOCC3)C2)c1O ZINC000183274206 495910360 /nfs/dbraw/zinc/91/03/60/495910360.db2.gz PRJCJTZAOMQMAQ-UHFFFAOYSA-N 1 1 370.287 3.092 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2C(=O)Nc2cc(C)ccc2OC)c1 ZINC000180305221 495944611 /nfs/dbraw/zinc/94/46/11/495944611.db2.gz XYKGWSPLBRDWGC-SFHVURJKSA-N 1 1 370.449 3.321 20 10 FGCDMO C[C@H](c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1)[NH+]1CCOCC1 ZINC000180757969 496133809 /nfs/dbraw/zinc/13/38/09/496133809.db2.gz XOOLJYADVDIDHJ-RUGXIKGKSA-N 1 1 368.433 3.143 20 10 FGCDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000187113707 496299251 /nfs/dbraw/zinc/29/92/51/496299251.db2.gz CNMSPAMRPCBKSW-WBVHZDCISA-N 1 1 354.450 3.223 20 10 FGCDMO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000273592717 496848916 /nfs/dbraw/zinc/84/89/16/496848916.db2.gz PORSYPDTLRJYOT-XIKOKIGWSA-N 1 1 355.413 3.021 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1O ZINC000273612117 496853717 /nfs/dbraw/zinc/85/37/17/496853717.db2.gz WGZSSRNUPPACGJ-QWHCGFSZSA-N 1 1 366.458 3.193 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC(OCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278151600 497022137 /nfs/dbraw/zinc/02/21/37/497022137.db2.gz CKVMTSUQUJKQEM-UHFFFAOYSA-N 1 1 372.421 3.490 20 10 FGCDMO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000278786894 497220927 /nfs/dbraw/zinc/22/09/27/497220927.db2.gz WCVUDZCHVVDEPQ-LJQANCHMSA-N 1 1 350.528 3.076 20 10 FGCDMO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000278786894 497220933 /nfs/dbraw/zinc/22/09/33/497220933.db2.gz WCVUDZCHVVDEPQ-LJQANCHMSA-N 1 1 350.528 3.076 20 10 FGCDMO O=C(c1ccsc1)N1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000271144676 497273084 /nfs/dbraw/zinc/27/30/84/497273084.db2.gz ZQLACKBOTKHWFD-UHFFFAOYSA-N 1 1 350.871 3.455 20 10 FGCDMO O=C(c1ccsc1)N1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000271144676 497273091 /nfs/dbraw/zinc/27/30/91/497273091.db2.gz ZQLACKBOTKHWFD-UHFFFAOYSA-N 1 1 350.871 3.455 20 10 FGCDMO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000275827438 497441509 /nfs/dbraw/zinc/44/15/09/497441509.db2.gz HHFMNFAIKWKLEW-LZWOXQAQSA-N 1 1 358.461 3.389 20 10 FGCDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000364991367 498243852 /nfs/dbraw/zinc/24/38/52/498243852.db2.gz ZEAGYEILGGPSRC-IQIBNGDESA-N 1 1 355.438 3.122 20 10 FGCDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nn1C ZINC000282144557 498399707 /nfs/dbraw/zinc/39/97/07/498399707.db2.gz KVCLGLGJRWIZFF-OAGGEKHMSA-N 1 1 360.477 3.332 20 10 FGCDMO CCn1cnnc1[C@H]1C[N@H+]([C@@H](C)c2ccc3ccccc3c2O)CCO1 ZINC000365525682 498513469 /nfs/dbraw/zinc/51/34/69/498513469.db2.gz CWPKKLMKOUOQTH-KBXCAEBGSA-N 1 1 352.438 3.291 20 10 FGCDMO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000286942186 498562201 /nfs/dbraw/zinc/56/22/01/498562201.db2.gz GYIFEBJMPFNLIZ-NXEZZACHSA-N 1 1 352.283 3.174 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c1 ZINC000367344274 499185127 /nfs/dbraw/zinc/18/51/27/499185127.db2.gz VWRFGAOOPBBYGX-HNNXBMFYSA-N 1 1 358.438 3.026 20 10 FGCDMO CN1CCN(C[C@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000368050600 499259425 /nfs/dbraw/zinc/25/94/25/499259425.db2.gz GORZYCPTYYNYIS-JOCHJYFZSA-N 1 1 370.585 3.136 20 10 FGCDMO CN1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000368050600 499259426 /nfs/dbraw/zinc/25/94/26/499259426.db2.gz GORZYCPTYYNYIS-JOCHJYFZSA-N 1 1 370.585 3.136 20 10 FGCDMO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000375933578 499569869 /nfs/dbraw/zinc/56/98/69/499569869.db2.gz RTABABPCNASGCR-LMKMVOKYSA-N 1 1 359.491 3.314 20 10 FGCDMO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000375933578 499569871 /nfs/dbraw/zinc/56/98/71/499569871.db2.gz RTABABPCNASGCR-LMKMVOKYSA-N 1 1 359.491 3.314 20 10 FGCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000377687801 499719848 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C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1cc(F)ccc1O ZINC000794830644 723548278 /nfs/dbraw/zinc/54/82/78/723548278.db2.gz ZVSJZBMVDFXPLE-BJOHPYRUSA-N 1 1 367.218 3.171 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000767190153 723610093 /nfs/dbraw/zinc/61/00/93/723610093.db2.gz SMWHFZQPAYFTSL-UHFFFAOYSA-N 1 1 368.300 3.098 20 10 FGCDMO C[S@@](=O)Cc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000796525108 723641529 /nfs/dbraw/zinc/64/15/29/723641529.db2.gz BKVSXXFBUJBAHO-OAQYLSRUSA-N 1 1 368.296 3.323 20 10 FGCDMO COC(=O)CC[N@H+](Cc1cc(Br)cc(OC)c1O)CC(C)C ZINC000768852699 723669661 /nfs/dbraw/zinc/66/96/61/723669661.db2.gz WFQJEUBICFNGOG-UHFFFAOYSA-N 1 1 374.275 3.184 20 10 FGCDMO CCn1cc(C[N@@H+](C)Cc2cc(Br)cc(OC)c2O)cn1 ZINC000769426887 723685411 /nfs/dbraw/zinc/68/54/11/723685411.db2.gz JRJJURQVBGYAPV-UHFFFAOYSA-N 1 1 354.248 3.012 20 10 FGCDMO CCc1nsc(N2CCC[N@@H+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000769547584 723689454 /nfs/dbraw/zinc/68/94/54/723689454.db2.gz DFBBQDIZEPKFAJ-UHFFFAOYSA-N 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O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@H]1C(F)F ZINC000801174465 724274424 /nfs/dbraw/zinc/27/44/24/724274424.db2.gz ONFIZHLBSBFGAP-IHRRRGAJSA-N 1 1 358.816 3.027 20 10 FGCDMO Cc1ccn(C)c1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000784440744 724853257 /nfs/dbraw/zinc/85/32/57/724853257.db2.gz AIOCEPSMQWTLLV-INIZCTEOSA-N 1 1 361.873 3.087 20 10 FGCDMO CCOC(=O)[C@H](CC)[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000787440375 725028387 /nfs/dbraw/zinc/02/83/87/725028387.db2.gz LUUKWDTVOISFAX-AWEZNQCLSA-N 1 1 356.260 3.461 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NCC1CC[NH+](C2CC2)CC1 ZINC000805369368 725067302 /nfs/dbraw/zinc/06/73/02/725067302.db2.gz VDIQIESFYAZGHC-UHFFFAOYSA-N 1 1 372.296 3.373 20 10 FGCDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809701371 725260508 /nfs/dbraw/zinc/26/05/08/725260508.db2.gz XIPLUQOIYXVNGX-SJLPKXTDSA-N 1 1 350.478 3.178 20 10 FGCDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741390 725264173 /nfs/dbraw/zinc/26/41/73/725264173.db2.gz OCVYMJYUNRPTDX-MRXNPFEDSA-N 1 1 372.340 3.299 20 10 FGCDMO COCC[N@H+](Cc1cccnc1)Cc1cccc(Br)c1O ZINC000809741363 725264188 /nfs/dbraw/zinc/26/41/88/725264188.db2.gz NQRLUVHIJOQGNZ-UHFFFAOYSA-N 1 1 351.244 3.198 20 10 FGCDMO COCC[N@@H+](Cc1cccnc1)Cc1cccc(Br)c1O ZINC000809741363 725264191 /nfs/dbraw/zinc/26/41/91/725264191.db2.gz NQRLUVHIJOQGNZ-UHFFFAOYSA-N 1 1 351.244 3.198 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+](CCCO)Cc2ccccn2)c1 ZINC000809746683 725264654 /nfs/dbraw/zinc/26/46/54/725264654.db2.gz XRYDTQDAIURNNK-UHFFFAOYSA-N 1 1 365.271 3.243 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+](CCCO)Cc2ccccn2)c1 ZINC000809746683 725264655 /nfs/dbraw/zinc/26/46/55/725264655.db2.gz XRYDTQDAIURNNK-UHFFFAOYSA-N 1 1 365.271 3.243 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000810252223 725299969 /nfs/dbraw/zinc/29/99/69/725299969.db2.gz AMPBKARKTIRIGT-KBPBESRZSA-N 1 1 360.889 3.108 20 10 FGCDMO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000811519775 725372365 /nfs/dbraw/zinc/37/23/65/725372365.db2.gz DQLZLZRPWHMIMN-CYBMUJFWSA-N 1 1 356.651 3.452 20 10 FGCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000811519775 725372367 /nfs/dbraw/zinc/37/23/67/725372367.db2.gz DQLZLZRPWHMIMN-CYBMUJFWSA-N 1 1 356.651 3.452 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000814174182 726944658 /nfs/dbraw/zinc/94/46/58/726944658.db2.gz AYFBMYVLGBCMGF-GOSISDBHSA-N 1 1 352.544 3.180 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000814174182 726944660 /nfs/dbraw/zinc/94/46/60/726944660.db2.gz AYFBMYVLGBCMGF-GOSISDBHSA-N 1 1 352.544 3.180 20 10 FGCDMO Cc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)ccc1N(C)C ZINC000815059866 727028974 /nfs/dbraw/zinc/02/89/74/727028974.db2.gz ITGUBECJNPZXHZ-MJGOQNOKSA-N 1 1 360.523 3.447 20 10 FGCDMO Cc1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)ccc1N(C)C ZINC000815059866 727028979 /nfs/dbraw/zinc/02/89/79/727028979.db2.gz ITGUBECJNPZXHZ-MJGOQNOKSA-N 1 1 360.523 3.447 20 10 FGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000815119245 727040430 /nfs/dbraw/zinc/04/04/30/727040430.db2.gz RIBIDAPAAIEGFQ-OAHLLOKOSA-N 1 1 357.420 3.033 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000816533352 727172622 /nfs/dbraw/zinc/17/26/22/727172622.db2.gz SAXGMHPNLNGMEA-UHFFFAOYSA-N 1 1 363.864 3.097 20 10 FGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(NS(C)(=O)=O)c1 ZINC000816541152 727173314 /nfs/dbraw/zinc/17/33/14/727173314.db2.gz DQOYHEYKXCSLEE-JTQLQIEISA-N 1 1 372.849 3.407 20 10 FGCDMO O=C1[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCCN1Cc1ccccc1 ZINC000816558475 727175703 /nfs/dbraw/zinc/17/57/03/727175703.db2.gz AAVUOICJPMIBOT-KRWDZBQOSA-N 1 1 362.832 3.466 20 10 FGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](O)c1ccc2c(c1)OCO2 ZINC000816594327 727178871 /nfs/dbraw/zinc/17/88/71/727178871.db2.gz ZIIAHMVXIMTWHZ-XYZCENFISA-N 1 1 353.777 3.125 20 10 FGCDMO C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823447433 729281369 /nfs/dbraw/zinc/28/13/69/729281369.db2.gz IDPNMIHHIPJNBO-HNNXBMFYSA-N 1 1 366.552 3.249 20 10 FGCDMO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823447433 729281371 /nfs/dbraw/zinc/28/13/71/729281371.db2.gz IDPNMIHHIPJNBO-HNNXBMFYSA-N 1 1 366.552 3.249 20 10 FGCDMO CC(=O)N1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)[C@@H](C)C1 ZINC000823458681 729282463 /nfs/dbraw/zinc/28/24/63/729282463.db2.gz CJOTVDNRJQNXNW-INIZCTEOSA-N 1 1 357.523 3.437 20 10 FGCDMO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)[C@@H](C)C1 ZINC000823458681 729282466 /nfs/dbraw/zinc/28/24/66/729282466.db2.gz CJOTVDNRJQNXNW-INIZCTEOSA-N 1 1 357.523 3.437 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1 ZINC000824501522 729343629 /nfs/dbraw/zinc/34/36/29/729343629.db2.gz NJSOJEXCJBRLFU-OAHLLOKOSA-N 1 1 368.246 3.295 20 10 FGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000824530224 729345625 /nfs/dbraw/zinc/34/56/25/729345625.db2.gz WLTXPKICRNUHMV-LBPRGKRZSA-N 1 1 368.886 3.194 20 10 FGCDMO Oc1cc(Br)ccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000824556443 729347124 /nfs/dbraw/zinc/34/71/24/729347124.db2.gz UHERQJCSLQSLPE-UHFFFAOYSA-N 1 1 367.209 3.225 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000824556443 729347127 /nfs/dbraw/zinc/34/71/27/729347127.db2.gz UHERQJCSLQSLPE-UHFFFAOYSA-N 1 1 367.209 3.225 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000824621133 729351380 /nfs/dbraw/zinc/35/13/80/729351380.db2.gz JFWSSZZKXLEDPZ-UHFFFAOYSA-N 1 1 368.300 3.324 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000825124794 729371792 /nfs/dbraw/zinc/37/17/92/729371792.db2.gz YIHBNDXSISZVTK-RNCFNFMXSA-N 1 1 368.193 3.208 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000825124794 729371793 /nfs/dbraw/zinc/37/17/93/729371793.db2.gz YIHBNDXSISZVTK-RNCFNFMXSA-N 1 1 368.193 3.208 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+](C[C@@H](C)O)C(C)C)c(C)n1-c1ccc(Cl)cn1 ZINC000827772781 729434553 /nfs/dbraw/zinc/43/45/53/729434553.db2.gz VKYAHQPWCJNMIR-CQSZACIVSA-N 1 1 363.889 3.416 20 10 FGCDMO Cc1cc(C(=O)C[N@H+](C[C@@H](C)O)C(C)C)c(C)n1-c1ccc(Cl)cn1 ZINC000827772781 729434554 /nfs/dbraw/zinc/43/45/54/729434554.db2.gz VKYAHQPWCJNMIR-CQSZACIVSA-N 1 1 363.889 3.416 20 10 FGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2cc(Br)cs2)cc1 ZINC000841040793 730205312 /nfs/dbraw/zinc/20/53/12/730205312.db2.gz UDNJFTWFPIITSH-OAHLLOKOSA-N 1 1 354.317 3.366 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125003 730588526 /nfs/dbraw/zinc/58/85/26/730588526.db2.gz KXVFDXRNXNSUDD-KGLIPLIRSA-N 1 1 353.304 3.285 20 10 FGCDMO COCC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C(F)(F)F ZINC000848921885 731221113 /nfs/dbraw/zinc/22/11/13/731221113.db2.gz JYKJAEIYSJEMDW-QGZVFWFLSA-N 1 1 360.420 3.049 20 10 FGCDMO COCC[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C(F)(F)F ZINC000848921885 731221116 /nfs/dbraw/zinc/22/11/16/731221116.db2.gz JYKJAEIYSJEMDW-QGZVFWFLSA-N 1 1 360.420 3.049 20 10 FGCDMO [O-]c1ccc(Br)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850420130 731355041 /nfs/dbraw/zinc/35/50/41/731355041.db2.gz MKYPUEUSIBQANH-UHFFFAOYSA-N 1 1 353.304 3.366 20 10 FGCDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000862251027 732799185 /nfs/dbraw/zinc/79/91/85/732799185.db2.gz YXEHGMKGJSIIBV-AWEZNQCLSA-N 1 1 353.304 3.318 20 10 FGCDMO C[C@@H](C[N@H+](C)Cc1cccc(Br)c1O)NC(=O)OC(C)(C)C ZINC000862541559 732847919 /nfs/dbraw/zinc/84/79/19/732847919.db2.gz WGDNSLUCGLEZHZ-NSHDSACASA-N 1 1 373.291 3.500 20 10 FGCDMO C[C@@H](C[N@@H+](C)Cc1cccc(Br)c1O)NC(=O)OC(C)(C)C ZINC000862541559 732847923 /nfs/dbraw/zinc/84/79/23/732847923.db2.gz WGDNSLUCGLEZHZ-NSHDSACASA-N 1 1 373.291 3.500 20 10 FGCDMO OC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](c4cccs4)C3)cc2)CC1 ZINC000876643294 736125648 /nfs/dbraw/zinc/12/56/48/736125648.db2.gz CBISLQLLZHKKDF-LJQANCHMSA-N 1 1 358.507 3.283 20 10 FGCDMO OC1CCN(c2ccc(C[N@H+]3CCO[C@@H](c4cccs4)C3)cc2)CC1 ZINC000876643294 736125651 /nfs/dbraw/zinc/12/56/51/736125651.db2.gz CBISLQLLZHKKDF-LJQANCHMSA-N 1 1 358.507 3.283 20 10 FGCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645439 736699490 /nfs/dbraw/zinc/69/94/90/736699490.db2.gz LAAPGGHHAZDUSN-MRXNPFEDSA-N 1 1 363.255 3.341 20 10 FGCDMO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000883308882 737552027 /nfs/dbraw/zinc/55/20/27/737552027.db2.gz ZHGPOCJKRDSQNB-QWRGUYRKSA-N 1 1 351.390 3.029 20 10 FGCDMO C[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000886520399 739264488 /nfs/dbraw/zinc/26/44/88/739264488.db2.gz DAAUAUNHQMAHGX-STQMWFEESA-N 1 1 366.458 3.193 20 10 FGCDMO COc1ccc(C[N@@H+](C)Cc2cc(Br)cn2C)c(O)c1OC ZINC000892224475 739977463 /nfs/dbraw/zinc/97/74/63/739977463.db2.gz FFWUEOAEZPYWTM-UHFFFAOYSA-N 1 1 369.259 3.142 20 10 FGCDMO COC(=O)c1c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c2cc(F)ccc2n1C ZINC000895149489 742381358 /nfs/dbraw/zinc/38/13/58/742381358.db2.gz ISEURZBSOLIUMR-KRWDZBQOSA-N 1 1 352.356 3.335 20 10 FGCDMO CN(C)c1ccc(C[N@H+](CC(=O)Nc2ccc(Cl)cn2)C2CC2)cc1 ZINC000917417992 758219286 /nfs/dbraw/zinc/21/92/86/758219286.db2.gz RLMKFFBELLRWMN-UHFFFAOYSA-N 1 1 358.873 3.404 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C2CC2)cc1 ZINC000917417992 758219292 /nfs/dbraw/zinc/21/92/92/758219292.db2.gz RLMKFFBELLRWMN-UHFFFAOYSA-N 1 1 358.873 3.404 20 10 FGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000917479779 758226141 /nfs/dbraw/zinc/22/61/41/758226141.db2.gz GMFAFUYXFJLOKG-GFCCVEGCSA-N 1 1 364.239 3.303 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+]Cc2nc(Br)c[nH]2)cc1F ZINC000921714413 758776771 /nfs/dbraw/zinc/77/67/71/758776771.db2.gz FTQQIABZKBXYLU-UHFFFAOYSA-N 1 1 355.255 3.447 20 10 FGCDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779022829 724382144 /nfs/dbraw/zinc/38/21/44/724382144.db2.gz IIRZUWSHXYUODH-LBPRGKRZSA-N 1 1 362.367 3.154 20 10 FGCDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000081361089 493878387 /nfs/dbraw/zinc/87/83/87/493878387.db2.gz PYGKYLAYANVAGB-SFHVURJKSA-N 1 1 354.498 3.293 20 10 FGCDMO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)Cc1ccccc1O ZINC000109772888 494916731 /nfs/dbraw/zinc/91/67/31/494916731.db2.gz SFASSFLKFZLYHR-LBPRGKRZSA-N 1 1 350.365 3.453 20 10 FGCDMO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+](C)Cc1ccccc1O ZINC000111235875 495052620 /nfs/dbraw/zinc/05/26/20/495052620.db2.gz LKJZSZXZHLPZPT-MRXNPFEDSA-N 1 1 353.466 3.451 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1O ZINC000128999431 495180060 /nfs/dbraw/zinc/18/00/60/495180060.db2.gz KQGOVTOVVSERLW-UHFFFAOYSA-N 1 1 372.440 3.278 20 10 FGCDMO C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)c(F)c1[O-] ZINC000187911336 496617070 /nfs/dbraw/zinc/61/70/70/496617070.db2.gz UHRYWNNNPMWAAL-BBRMVZONSA-N 1 1 362.420 3.088 20 10 FGCDMO C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1O ZINC000185086717 496652546 /nfs/dbraw/zinc/65/25/46/496652546.db2.gz FJKWZSFPSQAOKU-AWEZNQCLSA-N 1 1 351.443 3.187 20 10 FGCDMO C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccc(F)cc1O ZINC000273426766 496803022 /nfs/dbraw/zinc/80/30/22/496803022.db2.gz UMXBATUBECLZHD-SECBINFHSA-N 1 1 354.307 3.444 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000273440173 496807398 /nfs/dbraw/zinc/80/73/98/496807398.db2.gz YFYGIUHPRSVFLI-CQSZACIVSA-N 1 1 368.433 3.156 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000273734654 496889135 /nfs/dbraw/zinc/88/91/35/496889135.db2.gz KXLLMIVJXIEZEJ-LBPRGKRZSA-N 1 1 362.861 3.429 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000273734654 496889136 /nfs/dbraw/zinc/88/91/36/496889136.db2.gz KXLLMIVJXIEZEJ-LBPRGKRZSA-N 1 1 362.861 3.429 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000273734654 496889138 /nfs/dbraw/zinc/88/91/38/496889138.db2.gz KXLLMIVJXIEZEJ-LBPRGKRZSA-N 1 1 362.861 3.429 20 10 FGCDMO C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)Cc1ccccc1O ZINC000264753261 496978053 /nfs/dbraw/zinc/97/80/53/496978053.db2.gz WXMOOTWUGFITIQ-OAHLLOKOSA-N 1 1 351.450 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497668654 /nfs/dbraw/zinc/66/86/54/497668654.db2.gz SMHGILXFHNKDBE-IBGZPJMESA-N 1 1 366.461 3.168 20 10 FGCDMO Cc1cc(NC(=O)C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)no1 ZINC000191203084 497742830 /nfs/dbraw/zinc/74/28/30/497742830.db2.gz HGQGEYPBRYTDBX-UHFFFAOYSA-N 1 1 367.808 3.332 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411780 497943833 /nfs/dbraw/zinc/94/38/33/497943833.db2.gz CDBISTPQCSWAND-GJZGRUSLSA-N 1 1 355.438 3.208 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1C[C@H](c3ccccc3)[C@@H]3COCC[C@H]31)OCO2 ZINC000285176801 498013036 /nfs/dbraw/zinc/01/30/36/498013036.db2.gz QTQRXBUKSMROAL-FGTMMUONSA-N 1 1 353.418 3.125 20 10 FGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2ccc3nccnc3n2)C1 ZINC000301257501 498024994 /nfs/dbraw/zinc/02/49/94/498024994.db2.gz UGTFNQDEDRZRSS-HNNXBMFYSA-N 1 1 369.856 3.460 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000296456492 498051165 /nfs/dbraw/zinc/05/11/65/498051165.db2.gz NAVWUPGZGZFMKH-SNVBAGLBSA-N 1 1 354.328 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359.297 3.383 20 10 FGCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC000371469046 499331245 /nfs/dbraw/zinc/33/12/45/499331245.db2.gz CTZPHLVYDRRENI-KBMXLJTQSA-N 1 1 359.297 3.383 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)ccc21 ZINC000371534248 499339124 /nfs/dbraw/zinc/33/91/24/499339124.db2.gz NDDXUCTXOBSANR-UWJYYQICSA-N 1 1 369.509 3.071 20 10 FGCDMO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000375399273 499513965 /nfs/dbraw/zinc/51/39/65/499513965.db2.gz AOEMATFBWIGSRP-FKBYEOEOSA-N 1 1 358.526 3.429 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1F ZINC000375408680 499515393 /nfs/dbraw/zinc/51/53/93/499515393.db2.gz JZHGTFITBWKZEU-YFVAEKQCSA-N 1 1 364.505 3.424 20 10 FGCDMO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000377024982 499655056 /nfs/dbraw/zinc/65/50/56/499655056.db2.gz NCZDAPLJQPCJON-DVOMOZLQSA-N 1 1 356.869 3.164 20 10 FGCDMO 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CCOc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c(O)c1 ZINC000770303844 723710829 /nfs/dbraw/zinc/71/08/29/723710829.db2.gz LRBDEWBPMRIUHE-QAPCUYQASA-N 1 1 363.479 3.177 20 10 FGCDMO COc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c(Cl)c1 ZINC000775035024 723954902 /nfs/dbraw/zinc/95/49/02/723954902.db2.gz XAKSDZYJUMLSOS-UHFFFAOYSA-N 1 1 366.801 3.303 20 10 FGCDMO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000775148221 723964111 /nfs/dbraw/zinc/96/41/11/723964111.db2.gz ZJKDVTIVNQCAOO-ZWNOBZJWSA-N 1 1 368.193 3.290 20 10 FGCDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000775148221 723964113 /nfs/dbraw/zinc/96/41/13/723964113.db2.gz ZJKDVTIVNQCAOO-ZWNOBZJWSA-N 1 1 368.193 3.290 20 10 FGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000775662478 724018163 /nfs/dbraw/zinc/01/81/63/724018163.db2.gz TXPVKKLQUUQMDP-DAYGRLMNSA-N 1 1 352.906 3.428 20 10 FGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000775662495 724019339 /nfs/dbraw/zinc/01/93/39/724019339.db2.gz TXPVKKLQUUQMDP-RVKKMQEKSA-N 1 1 352.906 3.428 20 10 FGCDMO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1c(O)ccc2ccncc21 ZINC000800850539 724237334 /nfs/dbraw/zinc/23/73/34/724237334.db2.gz WIJKUGWSMZNZCO-UHFFFAOYSA-N 1 1 355.463 3.140 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000787025225 725013712 /nfs/dbraw/zinc/01/37/12/725013712.db2.gz JHYOULTVEGHNEQ-QGHHPUGFSA-N 1 1 367.804 3.356 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000805071479 725047972 /nfs/dbraw/zinc/04/79/72/725047972.db2.gz VENYCXZPRXRYCY-KGLIPLIRSA-N 1 1 358.269 3.125 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000805071479 725047975 /nfs/dbraw/zinc/04/79/75/725047975.db2.gz VENYCXZPRXRYCY-KGLIPLIRSA-N 1 1 358.269 3.125 20 10 FGCDMO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805103557 725049756 /nfs/dbraw/zinc/04/97/56/725049756.db2.gz MJNUGLUNGGEEKL-CYBMUJFWSA-N 1 1 360.285 3.373 20 10 FGCDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805103557 725049760 /nfs/dbraw/zinc/04/97/60/725049760.db2.gz MJNUGLUNGGEEKL-CYBMUJFWSA-N 1 1 360.285 3.373 20 10 FGCDMO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805103558 725049886 /nfs/dbraw/zinc/04/98/86/725049886.db2.gz MJNUGLUNGGEEKL-ZDUSSCGKSA-N 1 1 360.285 3.373 20 10 FGCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805103558 725049888 /nfs/dbraw/zinc/04/98/88/725049888.db2.gz MJNUGLUNGGEEKL-ZDUSSCGKSA-N 1 1 360.285 3.373 20 10 FGCDMO C[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C[NH+]1CCCC1 ZINC000805180020 725054945 /nfs/dbraw/zinc/05/49/45/725054945.db2.gz AVJVPXVILXBDAR-NSHDSACASA-N 1 1 360.285 3.230 20 10 FGCDMO C[NH+](C)Cc1cnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000809538508 725245684 /nfs/dbraw/zinc/24/56/84/725245684.db2.gz OEBRCXRKKMSTEO-MRXNPFEDSA-N 1 1 361.511 3.092 20 10 FGCDMO C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000809755613 725265524 /nfs/dbraw/zinc/26/55/24/725265524.db2.gz MPVLBCYFMLJZBZ-CYBMUJFWSA-N 1 1 353.850 3.118 20 10 FGCDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000809777894 725267810 /nfs/dbraw/zinc/26/78/10/725267810.db2.gz ICBOHFQJKNLMRS-AWEZNQCLSA-N 1 1 369.303 3.201 20 10 FGCDMO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000809778200 725268086 /nfs/dbraw/zinc/26/80/86/725268086.db2.gz MBLRTHHCYBIGGL-CQSZACIVSA-N 1 1 369.303 3.201 20 10 FGCDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000809778200 725268087 /nfs/dbraw/zinc/26/80/87/725268087.db2.gz MBLRTHHCYBIGGL-CQSZACIVSA-N 1 1 369.303 3.201 20 10 FGCDMO Cc1cnn([C@@H]2CC[N@H+](Cc3cc(C)cc(Br)c3O)C2)c1 ZINC000811518311 725372158 /nfs/dbraw/zinc/37/21/58/725372158.db2.gz JMPFHCDDYKCGFK-CQSZACIVSA-N 1 1 350.260 3.415 20 10 FGCDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc(C)cc(Br)c3O)C2)c1 ZINC000811518311 725372159 /nfs/dbraw/zinc/37/21/59/725372159.db2.gz JMPFHCDDYKCGFK-CQSZACIVSA-N 1 1 350.260 3.415 20 10 FGCDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000811977803 725386395 /nfs/dbraw/zinc/38/63/95/725386395.db2.gz RWQUHZKTRRUXKF-LBPRGKRZSA-N 1 1 372.307 3.074 20 10 FGCDMO O=C1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CN1c1ccccc1F ZINC000812783096 726811260 /nfs/dbraw/zinc/81/12/60/726811260.db2.gz YHQCFJLXCDYRRN-SNVBAGLBSA-N 1 1 352.768 3.219 20 10 FGCDMO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816498754 727168508 /nfs/dbraw/zinc/16/85/08/727168508.db2.gz KOHLIZFIGRGZEW-GJZGRUSLSA-N 1 1 369.912 3.175 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000816529382 727171972 /nfs/dbraw/zinc/17/19/72/727171972.db2.gz QMXZHPNJVBSKCV-HNNXBMFYSA-N 1 1 370.877 3.409 20 10 FGCDMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823404136 729276637 /nfs/dbraw/zinc/27/66/37/729276637.db2.gz MIIBZNSMEKTTSR-IBGZPJMESA-N 1 1 357.523 3.485 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)CCN2CCOCC2)cc1 ZINC000823433575 729280303 /nfs/dbraw/zinc/28/03/03/729280303.db2.gz XTFAOSMQTLUSAS-UHFFFAOYSA-N 1 1 359.539 3.149 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824554999 729346863 /nfs/dbraw/zinc/34/68/63/729346863.db2.gz ALBHOXPFXQZKJA-CYBMUJFWSA-N 1 1 371.275 3.254 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824554999 729346866 /nfs/dbraw/zinc/34/68/66/729346866.db2.gz ALBHOXPFXQZKJA-CYBMUJFWSA-N 1 1 371.275 3.254 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000824635273 729351902 /nfs/dbraw/zinc/35/19/02/729351902.db2.gz FZPFJLBHKGXOES-APWZRJJASA-N 1 1 365.832 3.354 20 10 FGCDMO CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824894437 729363897 /nfs/dbraw/zinc/36/38/97/729363897.db2.gz FDFJNOVFHYNORC-MRXNPFEDSA-N 1 1 371.319 3.087 20 10 FGCDMO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824894437 729363899 /nfs/dbraw/zinc/36/38/99/729363899.db2.gz FDFJNOVFHYNORC-MRXNPFEDSA-N 1 1 371.319 3.087 20 10 FGCDMO CCOc1cccc(C[N@@H+](CCO)Cc2cc(Cl)cc(OC)c2O)c1 ZINC000825305454 729378005 /nfs/dbraw/zinc/37/80/05/729378005.db2.gz JKWUNEYWTBKTFZ-UHFFFAOYSA-N 1 1 365.857 3.447 20 10 FGCDMO Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cccc(Br)c1O ZINC000825710450 729392524 /nfs/dbraw/zinc/39/25/24/729392524.db2.gz QBCQINOVKRWALX-UHFFFAOYSA-N 1 1 364.165 3.197 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000827377529 729429539 /nfs/dbraw/zinc/42/95/39/729429539.db2.gz ZXJSGMMASBVXOW-CJNGLKHVSA-N 1 1 350.415 3.090 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000827377529 729429540 /nfs/dbraw/zinc/42/95/40/729429540.db2.gz ZXJSGMMASBVXOW-CJNGLKHVSA-N 1 1 350.415 3.090 20 10 FGCDMO Cc1cc(C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)ccc1N1CCCCC1 ZINC000827820600 729435464 /nfs/dbraw/zinc/43/54/64/729435464.db2.gz CUHCGPQFLXPATF-IRXDYDNUSA-N 1 1 352.544 3.239 20 10 FGCDMO Cc1cc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)ccc1N1CCCCC1 ZINC000827820600 729435465 /nfs/dbraw/zinc/43/54/65/729435465.db2.gz CUHCGPQFLXPATF-IRXDYDNUSA-N 1 1 352.544 3.239 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCO[C@@]4(CCSC4)C3)cc2)CC1 ZINC000829250577 729470215 /nfs/dbraw/zinc/47/02/15/729470215.db2.gz SIHAMYBXHJEYDZ-FQEVSTJZSA-N 1 1 362.539 3.010 20 10 FGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1 ZINC000835055626 729853662 /nfs/dbraw/zinc/85/36/62/729853662.db2.gz LXWBLRFHXRWQKH-GHOSXJJBSA-N 1 1 350.528 3.055 20 10 FGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1 ZINC000835055626 729853666 /nfs/dbraw/zinc/85/36/66/729853666.db2.gz LXWBLRFHXRWQKH-GHOSXJJBSA-N 1 1 350.528 3.055 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCCc3c(cnn3C)C2)c1O ZINC000840955049 730196555 /nfs/dbraw/zinc/19/65/55/730196555.db2.gz RMQNVKDEGPOXAG-UHFFFAOYSA-N 1 1 350.260 3.145 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2CCCc3c(cnn3C)C2)c1O ZINC000840955049 730196556 /nfs/dbraw/zinc/19/65/56/730196556.db2.gz RMQNVKDEGPOXAG-UHFFFAOYSA-N 1 1 350.260 3.145 20 10 FGCDMO Cc1cc(Br)cc(C[NH+]2CC(CO)(c3ccccc3)C2)c1O ZINC000840970027 730198996 /nfs/dbraw/zinc/19/89/96/730198996.db2.gz NMBWSKBYHAAPJD-UHFFFAOYSA-N 1 1 362.267 3.209 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000843125005 730588402 /nfs/dbraw/zinc/58/84/02/730588402.db2.gz KXVFDXRNXNSUDD-ZIAGYGMSSA-N 1 1 353.304 3.285 20 10 FGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](O)c2ccc(F)c(F)c2)cc1 ZINC000844400047 730712846 /nfs/dbraw/zinc/71/28/46/730712846.db2.gz UDNXPEWSZAHABV-IBGZPJMESA-N 1 1 350.409 3.075 20 10 FGCDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845065602 730807014 /nfs/dbraw/zinc/80/70/14/730807014.db2.gz FJTFFMYPSPQQHY-CQSZACIVSA-N 1 1 353.894 3.213 20 10 FGCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000847695757 731080437 /nfs/dbraw/zinc/08/04/37/731080437.db2.gz HOXTULASSRRWQM-XIKOKIGWSA-N 1 1 362.857 3.101 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000850352932 731347113 /nfs/dbraw/zinc/34/71/13/731347113.db2.gz MWYOVEGBUSTNDN-UHFFFAOYSA-N 1 1 362.271 3.440 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(Br)cc1[O-] ZINC000850499963 731364769 /nfs/dbraw/zinc/36/47/69/731364769.db2.gz BEPWYELEWRXLPV-UONOGXRCSA-N 1 1 372.351 3.077 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc(Cl)cc1O ZINC000850557205 731372722 /nfs/dbraw/zinc/37/27/22/731372722.db2.gz MUGKSUOTBNNJCJ-FSPWUOQZSA-N 1 1 350.890 3.340 20 10 FGCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862237581 732793577 /nfs/dbraw/zinc/79/35/77/732793577.db2.gz SXAFGSJZNNYMQL-CYBMUJFWSA-N 1 1 369.303 3.283 20 10 FGCDMO CN(C)c1cc(F)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1F ZINC000862316577 732807782 /nfs/dbraw/zinc/80/77/82/732807782.db2.gz QYJXRISSCYRVLE-CQSZACIVSA-N 1 1 354.441 3.048 20 10 FGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c1O ZINC000866438735 733349251 /nfs/dbraw/zinc/34/92/51/733349251.db2.gz AGHVIKIZZSGCBH-NSHDSACASA-N 1 1 350.850 3.217 20 10 FGCDMO COCCc1ncc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000876531719 736110115 /nfs/dbraw/zinc/11/01/15/736110115.db2.gz NCWCFSLYPJOLHF-MRXNPFEDSA-N 1 1 362.495 3.219 20 10 FGCDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000903187863 743819637 /nfs/dbraw/zinc/81/96/37/743819637.db2.gz IZOFTKSXLIRNSZ-LBPRGKRZSA-N 1 1 351.292 3.490 20 10 FGCDMO Cc1nn(C)c(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1Cl ZINC000921549624 758741400 /nfs/dbraw/zinc/74/14/00/758741400.db2.gz DFWIQQHETIEWEG-UHFFFAOYSA-N 1 1 350.919 3.225 20 10 FGCDMO CC[N@H+](Cc1noc2c1COCC2)Cc1cc(Br)ccc1O ZINC000929755391 760450629 /nfs/dbraw/zinc/45/06/29/760450629.db2.gz NHAMFUOAIMBZII-UHFFFAOYSA-N 1 1 367.243 3.238 20 10 FGCDMO CC[N@@H+](Cc1noc2c1COCC2)Cc1cc(Br)ccc1O ZINC000929755391 760450632 /nfs/dbraw/zinc/45/06/32/760450632.db2.gz NHAMFUOAIMBZII-UHFFFAOYSA-N 1 1 367.243 3.238 20 10 FGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000068973660 493902210 /nfs/dbraw/zinc/90/22/10/493902210.db2.gz LJDPPKDCQRZRGA-LJQANCHMSA-N 1 1 372.465 3.003 20 10 FGCDMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(N(C)C)cc1 ZINC000007362373 494017800 /nfs/dbraw/zinc/01/78/00/494017800.db2.gz PVIKZGQZBVMQLS-UHFFFAOYSA-N 1 1 368.481 3.172 20 10 FGCDMO COc1ccc(N2CCC([N@H+](C)Cc3nc(C(C)(C)C)no3)CC2)cc1 ZINC000072801143 494253417 /nfs/dbraw/zinc/25/34/17/494253417.db2.gz DOUNSBGBSMUCEP-UHFFFAOYSA-N 1 1 358.486 3.477 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3nc(C(C)(C)C)no3)CC2)cc1 ZINC000072801143 494253419 /nfs/dbraw/zinc/25/34/19/494253419.db2.gz DOUNSBGBSMUCEP-UHFFFAOYSA-N 1 1 358.486 3.477 20 10 FGCDMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092010337 494754245 /nfs/dbraw/zinc/75/42/45/494754245.db2.gz FQJJUQJBEJYRHX-TZIWHRDSSA-N 1 1 368.525 3.356 20 10 FGCDMO COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000111235994 495053300 /nfs/dbraw/zinc/05/33/00/495053300.db2.gz RYDAZEVJLVWRJW-OAHLLOKOSA-N 1 1 372.465 3.027 20 10 FGCDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000128924577 495169052 /nfs/dbraw/zinc/16/90/52/495169052.db2.gz FOMGZHUIPWNMRF-SFHVURJKSA-N 1 1 368.525 3.221 20 10 FGCDMO COc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1O ZINC000124174104 495245712 /nfs/dbraw/zinc/24/57/12/495245712.db2.gz XXFIZJRFZAZMBL-INIZCTEOSA-N 1 1 356.470 3.098 20 10 FGCDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NCc2c(O)cccc2Cl)c1 ZINC000120083069 495303367 /nfs/dbraw/zinc/30/33/67/495303367.db2.gz ROSYIFFBHJBROT-QGZVFWFLSA-N 1 1 359.857 3.107 20 10 FGCDMO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)n1-c1ccccn1 ZINC000154795487 495730958 /nfs/dbraw/zinc/73/09/58/495730958.db2.gz NXTTVFGTAKRXJU-IEBWSBKVSA-N 1 1 352.482 3.045 20 10 FGCDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184685374 496492243 /nfs/dbraw/zinc/49/22/43/496492243.db2.gz PTHCUUJQHBQINC-CYBMUJFWSA-N 1 1 354.878 3.183 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCCN(Cc3cscn3)CC2)c1O ZINC000184688095 496493369 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20 10 FGCDMO CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000273607969 496853020 /nfs/dbraw/zinc/85/30/20/496853020.db2.gz UWLRPYKKHMZZOX-OAHLLOKOSA-N 1 1 371.456 3.051 20 10 FGCDMO C[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)CN1CCN(C)CC1 ZINC000264373439 496884947 /nfs/dbraw/zinc/88/49/47/496884947.db2.gz MDRUKYBNOWMJOX-GOSISDBHSA-N 1 1 353.510 3.032 20 10 FGCDMO COc1cccc(C[NH2+][C@@H](C)c2nc(-c3ccccc3OC)no2)c1O ZINC000266161700 497270225 /nfs/dbraw/zinc/27/02/25/497270225.db2.gz NRUBCTZJAKYXPG-LBPRGKRZSA-N 1 1 355.394 3.310 20 10 FGCDMO Cc1[nH+]ccn1CCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266747030 497410747 /nfs/dbraw/zinc/41/07/47/497410747.db2.gz NGIYFEHUXUXUSZ-UHFFFAOYSA-N 1 1 357.502 3.268 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+][C@@H](c3nccn3C)C3CC3)cc2F)C[C@H](C)O1 ZINC000271774470 497445514 /nfs/dbraw/zinc/44/55/14/497445514.db2.gz FXGIVFYLQYTJPT-QEEYODRMSA-N 1 1 372.488 3.414 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272555503 497661724 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366.458 3.241 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc([C@@H]3CCOC3)no2)C1 ZINC000350564231 498116434 /nfs/dbraw/zinc/11/64/34/498116434.db2.gz GAKCPMAABLJYSU-OAHLLOKOSA-N 1 1 366.465 3.343 20 10 FGCDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1F ZINC000364870645 498184305 /nfs/dbraw/zinc/18/43/05/498184305.db2.gz VLKFFSHJLXRVEJ-ZDUSSCGKSA-N 1 1 352.413 3.322 20 10 FGCDMO O=C([C@H]1CC12CC[NH+](Cc1c(O)ccc(Cl)c1F)CC2)N1CCCC1 ZINC000365250621 498373809 /nfs/dbraw/zinc/37/38/09/498373809.db2.gz AHUFRSXENYMZBS-CQSZACIVSA-N 1 1 366.864 3.409 20 10 FGCDMO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000293699621 498458743 /nfs/dbraw/zinc/45/87/43/498458743.db2.gz SZLRVOWPKMNXHK-UHFFFAOYSA-N 1 1 357.834 3.268 20 10 FGCDMO CS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293710017 498463429 /nfs/dbraw/zinc/46/34/29/498463429.db2.gz UPMYGLVWFIEDAY-UHFFFAOYSA-N 1 1 357.834 3.019 20 10 FGCDMO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000293896811 498526643 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360.477 3.389 20 10 FGCDMO COc1ccc(O)c(C[NH2+][C@@H](C)c2nc(-c3ccccc3OC)no2)c1 ZINC000370510503 499227377 /nfs/dbraw/zinc/22/73/77/499227377.db2.gz XQNYEJAVAGYREX-LBPRGKRZSA-N 1 1 355.394 3.310 20 10 FGCDMO Nc1ccc(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000370763624 499252165 /nfs/dbraw/zinc/25/21/65/499252165.db2.gz NAHLAGZJBGFCPN-HSZRJFAPSA-N 1 1 363.505 3.326 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CCCN(Cc3nc(C)c(C)o3)CC2)c(O)c1 ZINC000371383674 499318382 /nfs/dbraw/zinc/31/83/82/499318382.db2.gz PAQPTCCFHSGESP-UHFFFAOYSA-N 1 1 373.497 3.494 20 10 FGCDMO COC(=O)c1ccnc(N2CCC([NH2+][C@@H](C)c3ccc(F)cc3O)CC2)c1 ZINC000371864446 499373307 /nfs/dbraw/zinc/37/33/07/499373307.db2.gz LNCUCSVZAHGALZ-ZDUSSCGKSA-N 1 1 373.428 3.033 20 10 FGCDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000377225380 499671925 /nfs/dbraw/zinc/67/19/25/499671925.db2.gz QEBKIJKSVQPYCH-HXUWFJFHSA-N 1 1 354.498 3.467 20 10 FGCDMO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000377225380 499671926 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FGCDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1O ZINC000093643858 700452975 /nfs/dbraw/zinc/45/29/75/700452975.db2.gz HCWBTVIFXKWHAS-SMDDNHRTSA-N 1 1 357.292 3.078 20 10 FGCDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093741990 700453935 /nfs/dbraw/zinc/45/39/35/700453935.db2.gz VDVJDEODVGDEOO-CYBMUJFWSA-N 1 1 371.319 3.327 20 10 FGCDMO C[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccccc1O ZINC000111235318 700546837 /nfs/dbraw/zinc/54/68/37/700546837.db2.gz SJQYLRXDZKITCJ-UHFFFAOYSA-N 1 1 364.199 3.430 20 10 FGCDMO C[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccccc1O ZINC000111235318 700546839 /nfs/dbraw/zinc/54/68/39/700546839.db2.gz SJQYLRXDZKITCJ-UHFFFAOYSA-N 1 1 364.199 3.430 20 10 FGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177099934 705606172 /nfs/dbraw/zinc/60/61/72/705606172.db2.gz CQISUDNFAOMEDX-AWEZNQCLSA-N 1 1 366.889 3.377 20 10 FGCDMO CCC[N@H+](Cc1ccc(N(CC)CC)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179640751 705708747 /nfs/dbraw/zinc/70/87/47/705708747.db2.gz KHBCJEMVTRKEFJ-INIZCTEOSA-N 1 1 356.507 3.071 20 10 FGCDMO CCC[N@@H+](Cc1ccc(N(CC)CC)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179640751 705708751 /nfs/dbraw/zinc/70/87/51/705708751.db2.gz KHBCJEMVTRKEFJ-INIZCTEOSA-N 1 1 356.507 3.071 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000180055949 705726374 /nfs/dbraw/zinc/72/63/74/705726374.db2.gz GCURVYMBWOEIBE-AWEZNQCLSA-N 1 1 350.459 3.090 20 10 FGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)c1 ZINC000182434817 705842085 /nfs/dbraw/zinc/84/20/85/705842085.db2.gz QLTWWDYPIGZITB-NSHDSACASA-N 1 1 361.467 3.223 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@@H]12 ZINC000248562501 713653450 /nfs/dbraw/zinc/65/34/50/713653450.db2.gz BBJIJOMFTWHUAT-DAXOMENPSA-N 1 1 350.434 3.266 20 10 FGCDMO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769516938 723688593 /nfs/dbraw/zinc/68/85/93/723688593.db2.gz VQGHWTBEJRQHIH-OAHLLOKOSA-N 1 1 371.319 3.087 20 10 FGCDMO O=C(NCc1cc(Br)ccc1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000804734599 724546541 /nfs/dbraw/zinc/54/65/41/724546541.db2.gz SFBGKZDSMJNJKO-HNNXBMFYSA-N 1 1 367.287 3.178 20 10 FGCDMO C[C@H]1CCC[N@H+](CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000804950100 724568415 /nfs/dbraw/zinc/56/84/15/724568415.db2.gz NXHFESQUALHPKH-NSHDSACASA-N 1 1 360.285 3.230 20 10 FGCDMO C[C@H]1CCC[N@@H+](CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000804950100 724568420 /nfs/dbraw/zinc/56/84/20/724568420.db2.gz NXHFESQUALHPKH-NSHDSACASA-N 1 1 360.285 3.230 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@](C)(CO)c2ccccc2)c1 ZINC000781631885 724580433 /nfs/dbraw/zinc/58/04/33/724580433.db2.gz NMUZQXLPJCXSKF-KRWDZBQOSA-N 1 1 350.256 3.460 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000722409456 722420486 /nfs/dbraw/zinc/42/04/86/722420486.db2.gz ONVWYVOQXHVOPZ-MWLCHTKSSA-N 1 1 354.166 3.354 20 10 FGCDMO CC[N@@H+](CC(=O)N1CCC(C)CC1)Cc1cc(Br)ccc1O ZINC000743871146 722572112 /nfs/dbraw/zinc/57/21/12/722572112.db2.gz SDDLGNAHRFNWEG-UHFFFAOYSA-N 1 1 369.303 3.235 20 10 FGCDMO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Br)c(F)cc1O ZINC000756704606 722968889 /nfs/dbraw/zinc/96/88/89/722968889.db2.gz IDSDCTIIFNOVCH-VIFPVBQESA-N 1 1 359.239 3.003 20 10 FGCDMO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(Cl)cc(OC)c1O)CC2 ZINC000761213082 723133949 /nfs/dbraw/zinc/13/39/49/723133949.db2.gz CVZUQEUFTYAXHN-UHFFFAOYSA-N 1 1 361.825 3.399 20 10 FGCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(Cl)cc(OC)c1O)CC2 ZINC000761213082 723133950 /nfs/dbraw/zinc/13/39/50/723133950.db2.gz CVZUQEUFTYAXHN-UHFFFAOYSA-N 1 1 361.825 3.399 20 10 FGCDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000790780226 723177047 /nfs/dbraw/zinc/17/70/47/723177047.db2.gz OUUWJKBSSGXGBM-ZDUSSCGKSA-N 1 1 356.561 3.045 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000790930649 723195488 /nfs/dbraw/zinc/19/54/88/723195488.db2.gz BILAHQHQAOTZTN-GDZNZVCISA-N 1 1 370.287 3.231 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000790930649 723195491 /nfs/dbraw/zinc/19/54/91/723195491.db2.gz BILAHQHQAOTZTN-GDZNZVCISA-N 1 1 370.287 3.231 20 10 FGCDMO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(F)F ZINC000792237446 723323366 /nfs/dbraw/zinc/32/33/66/723323366.db2.gz DVHCACOQYGJICC-CYBMUJFWSA-N 1 1 360.832 3.418 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCCCC[C@@H]2CCO)c1O ZINC000793608495 723454332 /nfs/dbraw/zinc/45/43/32/723454332.db2.gz JQLSPXDQTWHCMW-CQSZACIVSA-N 1 1 358.276 3.290 20 10 FGCDMO C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766584774 723582706 /nfs/dbraw/zinc/58/27/06/723582706.db2.gz OJZBIQSAFKETNH-AVYPCKFXSA-N 1 1 363.933 3.310 20 10 FGCDMO C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766584774 723582707 /nfs/dbraw/zinc/58/27/07/723582707.db2.gz OJZBIQSAFKETNH-AVYPCKFXSA-N 1 1 363.933 3.310 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000796037861 723618340 /nfs/dbraw/zinc/61/83/40/723618340.db2.gz VSLYUQKRIXVNOS-DYVFJYSZSA-N 1 1 370.287 3.233 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000796037861 723618341 /nfs/dbraw/zinc/61/83/41/723618341.db2.gz VSLYUQKRIXVNOS-DYVFJYSZSA-N 1 1 370.287 3.233 20 10 FGCDMO CCC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000768182307 723649696 /nfs/dbraw/zinc/64/96/96/723649696.db2.gz YTLQIDQEBVKJLM-IBGZPJMESA-N 1 1 359.491 3.458 20 10 FGCDMO CC[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(F)cc1O ZINC000796770631 723654197 /nfs/dbraw/zinc/65/41/97/723654197.db2.gz FKKDSCQVLDHSIR-GFCCVEGCSA-N 1 1 358.339 3.493 20 10 FGCDMO C[N@@H+](Cc1csc(Br)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439243 723657461 /nfs/dbraw/zinc/65/74/61/723657461.db2.gz DSYXDUBZLDZWGY-ZDUSSCGKSA-N 1 1 370.268 3.274 20 10 FGCDMO CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 ZINC000769148621 723678023 /nfs/dbraw/zinc/67/80/23/723678023.db2.gz PKUFVUBHEZXEKT-CQSZACIVSA-N 1 1 350.459 3.232 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1 ZINC000769148621 723678024 /nfs/dbraw/zinc/67/80/24/723678024.db2.gz PKUFVUBHEZXEKT-CQSZACIVSA-N 1 1 350.459 3.232 20 10 FGCDMO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000769290023 723681557 /nfs/dbraw/zinc/68/15/57/723681557.db2.gz HEXDAISDEASLSQ-OAHLLOKOSA-N 1 1 369.303 3.378 20 10 FGCDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1F ZINC000774957327 723945456 /nfs/dbraw/zinc/94/54/56/723945456.db2.gz VQEMFLYSDRDYGF-SNVBAGLBSA-N 1 1 350.346 3.308 20 10 FGCDMO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCCC2 ZINC000775030843 723954203 /nfs/dbraw/zinc/95/42/03/723954203.db2.gz VPIGNNTWJMBWHC-GJZGRUSLSA-N 1 1 350.415 3.136 20 10 FGCDMO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)ccn1C ZINC000798980940 723981538 /nfs/dbraw/zinc/98/15/38/723981538.db2.gz FELNUCMDCJIARB-MRXNPFEDSA-N 1 1 361.873 3.087 20 10 FGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1O ZINC000775662490 724018882 /nfs/dbraw/zinc/01/88/82/724018882.db2.gz TXPVKKLQUUQMDP-IIDMSEBBSA-N 1 1 352.906 3.428 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c1O ZINC000775686329 724025020 /nfs/dbraw/zinc/02/50/20/724025020.db2.gz HVPBBXJNJBCRCN-HNNXBMFYSA-N 1 1 367.287 3.050 20 10 FGCDMO CC(=O)NC1CCC([N@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000784548575 724862633 /nfs/dbraw/zinc/86/26/33/724862633.db2.gz DVGGKBVACNUYMR-UHFFFAOYSA-N 1 1 352.862 3.127 20 10 FGCDMO CC(=O)NC1CCC([N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000784548575 724862636 /nfs/dbraw/zinc/86/26/36/724862636.db2.gz DVGGKBVACNUYMR-UHFFFAOYSA-N 1 1 352.862 3.127 20 10 FGCDMO CSC1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000787445534 725028654 /nfs/dbraw/zinc/02/86/54/725028654.db2.gz MYURHOILSMECPH-HNNXBMFYSA-N 1 1 368.930 3.412 20 10 FGCDMO CSC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000787445534 725028656 /nfs/dbraw/zinc/02/86/56/725028656.db2.gz MYURHOILSMECPH-HNNXBMFYSA-N 1 1 368.930 3.412 20 10 FGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000805748119 725091163 /nfs/dbraw/zinc/09/11/63/725091163.db2.gz LHGUCQNOZHYODZ-VHSXEESVSA-N 1 1 352.232 3.365 20 10 FGCDMO CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1[O-] ZINC000806137049 725117472 /nfs/dbraw/zinc/11/74/72/725117472.db2.gz GIGIDPOSZQHFPE-GOSISDBHSA-N 1 1 353.938 3.360 20 10 FGCDMO C[NH+](C)CC(C)(C)CNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806599868 725136644 /nfs/dbraw/zinc/13/66/44/725136644.db2.gz ZXKPDFRTKWSGMV-UHFFFAOYSA-N 1 1 364.342 3.251 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3nccn3C)C2)c(C(F)(F)F)c1 ZINC000809757488 725265731 /nfs/dbraw/zinc/26/57/31/725265731.db2.gz OFCDUKJPAWYJNY-AWEZNQCLSA-N 1 1 352.404 3.494 20 10 FGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@H](O)COCc1ccccc1 ZINC000816496588 727168141 /nfs/dbraw/zinc/16/81/41/727168141.db2.gz PEYCTBZIYSPCCH-HNNXBMFYSA-N 1 1 353.821 3.194 20 10 FGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@H](O)COCc1ccccc1 ZINC000816496588 727168142 /nfs/dbraw/zinc/16/81/42/727168142.db2.gz PEYCTBZIYSPCCH-HNNXBMFYSA-N 1 1 353.821 3.194 20 10 FGCDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(Cl)c(F)cc3O)C[C@@H]2C1 ZINC000816598351 727178962 /nfs/dbraw/zinc/17/89/62/727178962.db2.gz YLNJKYOUVJJINY-BETUJISGSA-N 1 1 370.852 3.483 20 10 FGCDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Cl)c(F)cc3O)C[C@@H]2C1 ZINC000816598351 727178964 /nfs/dbraw/zinc/17/89/64/727178964.db2.gz YLNJKYOUVJJINY-BETUJISGSA-N 1 1 370.852 3.483 20 10 FGCDMO C[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)Cc1ccccc1 ZINC000816624830 727181710 /nfs/dbraw/zinc/18/17/10/727181710.db2.gz IVDSKIFFUNDXST-INIZCTEOSA-N 1 1 350.256 3.190 20 10 FGCDMO C[N@@H+](Cc1cccc(Br)c1O)C[C@@H](O)Cc1ccccc1 ZINC000816624850 727181894 /nfs/dbraw/zinc/18/18/94/727181894.db2.gz JMLOPUZGGIRNMR-HNNXBMFYSA-N 1 1 350.256 3.190 20 10 FGCDMO C[N@H+](Cc1cccc(Br)c1O)C[C@@H](O)Cc1ccccc1 ZINC000816624850 727181896 /nfs/dbraw/zinc/18/18/96/727181896.db2.gz JMLOPUZGGIRNMR-HNNXBMFYSA-N 1 1 350.256 3.190 20 10 FGCDMO Cc1cc(Br)cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1O ZINC000816642666 727184451 /nfs/dbraw/zinc/18/44/51/727184451.db2.gz HCWNNNCLPKLGKS-KRWDZBQOSA-N 1 1 353.304 3.381 20 10 FGCDMO Cc1cc(O)c(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1Cl ZINC000824632406 729351918 /nfs/dbraw/zinc/35/19/18/729351918.db2.gz IDRRZIABFIJPIS-UHFFFAOYSA-N 1 1 370.831 3.263 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000824715788 729356423 /nfs/dbraw/zinc/35/64/23/729356423.db2.gz NOBOUCRXUJIXSM-RBSFLKMASA-N 1 1 370.287 3.289 20 10 FGCDMO Cc1cc(Br)c([O-])c(CN2CC[S@@](=O)C(C)(C)CC2)c1 ZINC000825024449 729368175 /nfs/dbraw/zinc/36/81/75/729368175.db2.gz PHWPZAZNOJVTBS-HXUWFJFHSA-N 1 1 360.317 3.196 20 10 FGCDMO COc1cc(Br)cc(CNCC[N@@H+]2CCCC2(C)C)c1O ZINC000825326755 729378828 /nfs/dbraw/zinc/37/88/28/729378828.db2.gz PKNBJNIFANVHNL-UHFFFAOYSA-N 1 1 357.292 3.127 20 10 FGCDMO COc1cc(Br)cc(CNCC[N@H+]2CCCC2(C)C)c1O ZINC000825326755 729378830 /nfs/dbraw/zinc/37/88/30/729378830.db2.gz PKNBJNIFANVHNL-UHFFFAOYSA-N 1 1 357.292 3.127 20 10 FGCDMO COc1cc(Br)cc(CNC(C)(C)C[NH+]2CCCC2)c1O ZINC000825327880 729378896 /nfs/dbraw/zinc/37/88/96/729378896.db2.gz VYRBMGZMJIHYSN-UHFFFAOYSA-N 1 1 357.292 3.127 20 10 FGCDMO Oc1cc(Br)ccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000825955783 729400876 /nfs/dbraw/zinc/40/08/76/729400876.db2.gz RXINBBSPQBSXGA-ZDUSSCGKSA-N 1 1 356.651 3.452 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000825955783 729400877 /nfs/dbraw/zinc/40/08/77/729400877.db2.gz RXINBBSPQBSXGA-ZDUSSCGKSA-N 1 1 356.651 3.452 20 10 FGCDMO CSC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830545032 729570175 /nfs/dbraw/zinc/57/01/75/729570175.db2.gz VXCVGKUTTKBZNX-CQSZACIVSA-N 1 1 356.919 3.268 20 10 FGCDMO CSC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830545032 729570178 /nfs/dbraw/zinc/57/01/78/729570178.db2.gz VXCVGKUTTKBZNX-CQSZACIVSA-N 1 1 356.919 3.268 20 10 FGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1 ZINC000835055629 729853606 /nfs/dbraw/zinc/85/36/06/729853606.db2.gz LXWBLRFHXRWQKH-RURPWVQCSA-N 1 1 350.528 3.055 20 10 FGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1 ZINC000835055629 729853608 /nfs/dbraw/zinc/85/36/08/729853608.db2.gz LXWBLRFHXRWQKH-RURPWVQCSA-N 1 1 350.528 3.055 20 10 FGCDMO CCC(C)(C)OCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000837484464 730034278 /nfs/dbraw/zinc/03/42/78/730034278.db2.gz GJBAZYUEPXMVGM-INIZCTEOSA-N 1 1 368.905 3.331 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(F)cc(F)c1O ZINC000840881912 730187863 /nfs/dbraw/zinc/18/78/63/730187863.db2.gz LECXBFJWSGJEOL-QLJPJBMISA-N 1 1 350.340 3.266 20 10 FGCDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840947682 730195303 /nfs/dbraw/zinc/19/53/03/730195303.db2.gz BZEHAKVBFXGPDC-AWEZNQCLSA-N 1 1 351.752 3.281 20 10 FGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2cc(Br)cs2)cc1 ZINC000841040792 730205484 /nfs/dbraw/zinc/20/54/84/730205484.db2.gz UDNJFTWFPIITSH-HNNXBMFYSA-N 1 1 354.317 3.366 20 10 FGCDMO Cc1cc(Br)cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841087152 730209204 /nfs/dbraw/zinc/20/92/04/730209204.db2.gz NFKQOUOOBHODND-XJKSGUPXSA-N 1 1 353.304 3.427 20 10 FGCDMO [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126619 730589010 /nfs/dbraw/zinc/58/90/10/730589010.db2.gz LWGITGGNTOJKJV-UONOGXRCSA-N 1 1 353.304 3.366 20 10 FGCDMO [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126619 730589013 /nfs/dbraw/zinc/58/90/13/730589013.db2.gz LWGITGGNTOJKJV-UONOGXRCSA-N 1 1 353.304 3.366 20 10 FGCDMO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2[O-])C1 ZINC000844912723 730788600 /nfs/dbraw/zinc/78/86/00/730788600.db2.gz WKAPIZUXVRRPPF-VYDXJSESSA-N 1 1 369.303 3.016 20 10 FGCDMO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)ccc2[O-])C1 ZINC000844912723 730788604 /nfs/dbraw/zinc/78/86/04/730788604.db2.gz WKAPIZUXVRRPPF-VYDXJSESSA-N 1 1 369.303 3.016 20 10 FGCDMO COc1cc(C[NH2+]Cc2n[nH]cc2Br)c(O)c(C(C)(C)C)c1 ZINC000850151242 731326646 /nfs/dbraw/zinc/32/66/46/731326646.db2.gz VKYQBNRCJRAAFM-UHFFFAOYSA-N 1 1 368.275 3.474 20 10 FGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406584 731353598 /nfs/dbraw/zinc/35/35/98/731353598.db2.gz MMELAUSZPMAOJJ-UHFFFAOYSA-N 1 1 364.848 3.436 20 10 FGCDMO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000850555926 731372216 /nfs/dbraw/zinc/37/22/16/731372216.db2.gz JYRISXAFZCWXQW-JTQLQIEISA-N 1 1 351.390 3.029 20 10 FGCDMO Cc1csc([C@@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000858426745 732214057 /nfs/dbraw/zinc/21/40/57/732214057.db2.gz SOIKKTGEYZYDHB-GFCCVEGCSA-N 1 1 353.438 3.417 20 10 FGCDMO CN(C)c1cc(F)c(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1F ZINC000862302899 732807001 /nfs/dbraw/zinc/80/70/01/732807001.db2.gz FGFJDTAKTVOCDS-MZNJEOGPSA-N 1 1 352.450 3.240 20 10 FGCDMO OC[C@@]1(c2ccccc2)CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862375836 732819147 /nfs/dbraw/zinc/81/91/47/732819147.db2.gz SAYXMPXZRCJWRW-GOSISDBHSA-N 1 1 362.267 3.291 20 10 FGCDMO CC[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(N(C)C)cc1 ZINC000866431292 733348266 /nfs/dbraw/zinc/34/82/66/733348266.db2.gz NPFNEIONPIGOCA-HNNXBMFYSA-N 1 1 351.292 3.490 20 10 FGCDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)n1 ZINC000877814981 736727064 /nfs/dbraw/zinc/72/70/64/736727064.db2.gz ZERHESCIXWURSZ-KRWDZBQOSA-N 1 1 357.523 3.402 20 10 FGCDMO Cc1csc(C[C@H]2CCC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)n1 ZINC000884472772 737666564 /nfs/dbraw/zinc/66/65/64/737666564.db2.gz HURJBAMQGHOBDN-DYVFJYSZSA-N 1 1 360.479 3.038 20 10 FGCDMO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)n1 ZINC000884472774 737666889 /nfs/dbraw/zinc/66/68/89/737666889.db2.gz HURJBAMQGHOBDN-SUMWQHHRSA-N 1 1 360.479 3.038 20 10 FGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(Br)o2)c(O)c1OC ZINC000891603533 739919960 /nfs/dbraw/zinc/91/99/60/739919960.db2.gz XBDRNYKEJOAJRI-UHFFFAOYSA-N 1 1 356.216 3.397 20 10 FGCDMO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000895607101 742432724 /nfs/dbraw/zinc/43/27/24/742432724.db2.gz LCCDSJGZUZWAEK-GKVSMKOHSA-N 1 1 367.474 3.251 20 10 FGCDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3c(O)cccc3Br)C2)n1 ZINC000897576367 742691582 /nfs/dbraw/zinc/69/15/82/742691582.db2.gz DAFHAIJBJIKBMJ-GFCCVEGCSA-N 1 1 366.259 3.301 20 10 FGCDMO CC[C@](O)(CCC(F)(F)F)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000903255797 743830920 /nfs/dbraw/zinc/83/09/20/743830920.db2.gz BYISZYIMXBDHLD-ZBEGNZNMSA-N 1 1 363.376 3.313 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000072801213 494253093 /nfs/dbraw/zinc/25/30/93/494253093.db2.gz AQRLSXRZIHKSAW-UHFFFAOYSA-N 1 1 368.437 3.439 20 10 FGCDMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000072878893 494274172 /nfs/dbraw/zinc/27/41/72/494274172.db2.gz GUUKOTOFXDBAAK-UHFFFAOYSA-N 1 1 367.493 3.211 20 10 FGCDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000072878893 494274174 /nfs/dbraw/zinc/27/41/74/494274174.db2.gz GUUKOTOFXDBAAK-UHFFFAOYSA-N 1 1 367.493 3.211 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000092012273 494754137 /nfs/dbraw/zinc/75/41/37/494754137.db2.gz CTUMEXXLTHHVCX-ICSRJNTNSA-N 1 1 356.514 3.212 20 10 FGCDMO COc1ccc(-c2noc(C[N@H+](C)Cc3ccccc3O)n2)cc1OC ZINC000109771564 494916572 /nfs/dbraw/zinc/91/65/72/494916572.db2.gz LFGIKWRULNZGFK-UHFFFAOYSA-N 1 1 355.394 3.091 20 10 FGCDMO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccccc3O)n2)cc1OC ZINC000109771564 494916574 /nfs/dbraw/zinc/91/65/74/494916574.db2.gz LFGIKWRULNZGFK-UHFFFAOYSA-N 1 1 355.394 3.091 20 10 FGCDMO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185492260 495597797 /nfs/dbraw/zinc/59/77/97/495597797.db2.gz WLKUIZHJGFHLMD-IAGOWNOFSA-N 1 1 358.526 3.423 20 10 FGCDMO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185492204 495598228 /nfs/dbraw/zinc/59/82/28/495598228.db2.gz WLKUIZHJGFHLMD-IRXDYDNUSA-N 1 1 358.526 3.423 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000179506362 495619874 /nfs/dbraw/zinc/61/98/74/495619874.db2.gz IDCJBKWNHNNBTM-CYBMUJFWSA-N 1 1 358.417 3.109 20 10 FGCDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000154527072 495644220 /nfs/dbraw/zinc/64/42/20/495644220.db2.gz IXACIHAYZDJLSU-ICSRJNTNSA-N 1 1 372.421 3.015 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1[O-] ZINC000186519684 496028590 /nfs/dbraw/zinc/02/85/90/496028590.db2.gz UMGGQIRQSPQXPM-DNVCBOLYSA-N 1 1 358.457 3.339 20 10 FGCDMO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000180848278 496169655 /nfs/dbraw/zinc/16/96/55/496169655.db2.gz DLOKMMJPZIAAPW-OJYYBLKUSA-N 1 1 366.461 3.280 20 10 FGCDMO C[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000187113670 496299384 /nfs/dbraw/zinc/29/93/84/496299384.db2.gz CNMSPAMRPCBKSW-NVXWUHKLSA-N 1 1 354.450 3.223 20 10 FGCDMO COc1cccc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1O ZINC000184243772 496302056 /nfs/dbraw/zinc/30/20/56/496302056.db2.gz PONSJOHAQMBTIP-BPUTZDHNSA-N 1 1 362.470 3.136 20 10 FGCDMO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(F)cc1O ZINC000185131682 496674274 /nfs/dbraw/zinc/67/42/74/496674274.db2.gz PDJQNAPDNHOXTF-ORAYPTAESA-N 1 1 358.413 3.500 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](C)[C@@H](OC)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278508387 497138458 /nfs/dbraw/zinc/13/84/58/497138458.db2.gz PGHCQJQDXMBBGI-PIGZYNQJSA-N 1 1 364.373 3.314 20 10 FGCDMO COc1c([O-])c(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000278525605 497143330 /nfs/dbraw/zinc/14/33/30/497143330.db2.gz TTZCMYXDJXSVFX-UHFFFAOYSA-N 1 1 373.453 3.439 20 10 FGCDMO Cc1nn(C)c(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1Br ZINC000279078815 497325920 /nfs/dbraw/zinc/32/59/20/497325920.db2.gz GVXYPCOLFNLAGH-UHFFFAOYSA-N 1 1 363.303 3.163 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+]Cc3ccnn3C(C)C)cc2F)CC1 ZINC000281040383 497996804 /nfs/dbraw/zinc/99/68/04/497996804.db2.gz ZIKFWWGRYAPGDM-UHFFFAOYSA-N 1 1 359.493 3.035 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](CCO)C2CCOCC2)cc1 ZINC000296630647 498129413 /nfs/dbraw/zinc/12/94/13/498129413.db2.gz BTSMFPSMDIKNRX-UHFFFAOYSA-N 1 1 360.523 3.358 20 10 FGCDMO C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000360963625 498327638 /nfs/dbraw/zinc/32/76/38/498327638.db2.gz YRFAWWHBXJRVLE-DHIUTWEWSA-N 1 1 365.521 3.231 20 10 FGCDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nn1C ZINC000282144555 498399314 /nfs/dbraw/zinc/39/93/14/498399314.db2.gz KVCLGLGJRWIZFF-JYJNAYRXSA-N 1 1 360.477 3.332 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](N4CCCCC4)C3)cc2)CC1 ZINC000297342665 498412938 /nfs/dbraw/zinc/41/29/38/498412938.db2.gz BAFKCNNRRULGFS-OAQYLSRUSA-N 1 1 357.542 3.362 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](N4CCCCC4)C3)cc2)CC1 ZINC000297342665 498412940 /nfs/dbraw/zinc/41/29/40/498412940.db2.gz BAFKCNNRRULGFS-OAQYLSRUSA-N 1 1 357.542 3.362 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1OC ZINC000361761917 498428120 /nfs/dbraw/zinc/42/81/20/498428120.db2.gz GDGSNEISWFRAMI-INIZCTEOSA-N 1 1 353.422 3.206 20 10 FGCDMO Cc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2O)nc(N2CCCC2)n1 ZINC000293916265 498531942 /nfs/dbraw/zinc/53/19/42/498531942.db2.gz MEXFPUTVXGJETM-UHFFFAOYSA-N 1 1 350.825 3.173 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2CCN(c3ncccn3)CC2)c1O ZINC000363157483 498678250 /nfs/dbraw/zinc/67/82/50/498678250.db2.gz IGHHCIUBKJHGRY-UHFFFAOYSA-N 1 1 374.872 3.139 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CCN(c3ncccn3)CC2)c1O ZINC000363157483 498678256 /nfs/dbraw/zinc/67/82/56/498678256.db2.gz IGHHCIUBKJHGRY-UHFFFAOYSA-N 1 1 374.872 3.139 20 10 FGCDMO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294509372 498713386 /nfs/dbraw/zinc/71/33/86/498713386.db2.gz CAAPMYQOZDFMMJ-YOEHRIQHSA-N 1 1 353.825 3.155 20 10 FGCDMO COCCCOc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)cc1 ZINC000287537385 498790759 /nfs/dbraw/zinc/79/07/59/498790759.db2.gz PEDNYJQTIUNVJA-HNNXBMFYSA-N 1 1 373.449 3.445 20 10 FGCDMO CC[C@@H](NCc1nnc2n1CCOC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000367897011 499243044 /nfs/dbraw/zinc/24/30/44/499243044.db2.gz QGAJNCGLIHBMTH-GFCCVEGCSA-N 1 1 357.241 3.062 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c1O ZINC000368623239 499314748 /nfs/dbraw/zinc/31/47/48/499314748.db2.gz POQMBILJUNHWMA-OAHLLOKOSA-N 1 1 352.862 3.031 20 10 FGCDMO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1nc(-c2ccc(F)cc2)no1 ZINC000369037031 499359225 /nfs/dbraw/zinc/35/92/25/499359225.db2.gz SWJVNGWZTOJYNB-JTQLQIEISA-N 1 1 357.341 3.161 20 10 FGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000369093132 499365035 /nfs/dbraw/zinc/36/50/35/499365035.db2.gz TZKCSZOILCUYDH-UHFFFAOYSA-N 1 1 364.497 3.354 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@@H+](C)C2CCN(CCc3ccncc3)CC2)c1 ZINC000377865549 499743518 /nfs/dbraw/zinc/74/35/18/499743518.db2.gz SORRPHGUKXEINE-KRWDZBQOSA-N 1 1 369.509 3.496 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOC2(C)C)C1 ZINC000452470392 501507138 /nfs/dbraw/zinc/50/71/38/501507138.db2.gz SFABDBIQYUVULZ-HXUWFJFHSA-N 1 1 369.509 3.092 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000458736563 501518643 /nfs/dbraw/zinc/51/86/43/501518643.db2.gz JRVPAQZGSGBFRQ-OAHLLOKOSA-N 1 1 354.498 3.112 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOCC2(C)C)C1 ZINC000477587385 501731388 /nfs/dbraw/zinc/73/13/88/501731388.db2.gz FBZQIUGOZQZEJW-UHFFFAOYSA-N 1 1 369.509 3.045 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000471585357 502074960 /nfs/dbraw/zinc/07/49/60/502074960.db2.gz KNASGVZEDYNODD-CVEARBPZSA-N 1 1 356.514 3.406 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000472229122 502277005 /nfs/dbraw/zinc/27/70/05/502277005.db2.gz KATMPDPTIRVJRT-FUHWJXTLSA-N 1 1 354.498 3.112 20 10 FGCDMO CCn1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cn1 ZINC000562432565 504819436 /nfs/dbraw/zinc/81/94/36/504819436.db2.gz IWAIUKBLPJCWPN-UHFFFAOYSA-N 1 1 365.481 3.263 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H]2CCCOC2)C1 ZINC000557433338 505134014 /nfs/dbraw/zinc/13/40/14/505134014.db2.gz JHZIUVWIKZUSPN-QGZVFWFLSA-N 1 1 369.509 3.045 20 10 FGCDMO COc1ccccc1C[N@@H+](CCO)Cc1cc(Br)ccc1O ZINC000091790040 700425742 /nfs/dbraw/zinc/42/57/42/700425742.db2.gz DBDIFANLPHVNEU-UHFFFAOYSA-N 1 1 366.255 3.158 20 10 FGCDMO C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C[C@@H]1n1ccnc1 ZINC000091959668 700429434 /nfs/dbraw/zinc/42/94/34/700429434.db2.gz UDGPHXLTGYGNNT-WFASDCNBSA-N 1 1 350.260 3.434 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000093012700 700446243 /nfs/dbraw/zinc/44/62/43/700446243.db2.gz VADCNHBPXFKXOT-UHFFFAOYSA-N 1 1 350.365 3.140 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1 ZINC000093012700 700446246 /nfs/dbraw/zinc/44/62/46/700446246.db2.gz VADCNHBPXFKXOT-UHFFFAOYSA-N 1 1 350.365 3.140 20 10 FGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1O ZINC000093867716 700455515 /nfs/dbraw/zinc/45/55/15/700455515.db2.gz NTCJFSVWPJRFET-OAHLLOKOSA-N 1 1 350.459 3.232 20 10 FGCDMO C[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1O ZINC000109770317 700536528 /nfs/dbraw/zinc/53/65/28/700536528.db2.gz LRUBRTUWFPYQHC-UHFFFAOYSA-N 1 1 367.218 3.364 20 10 FGCDMO C[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1O ZINC000109770317 700536532 /nfs/dbraw/zinc/53/65/32/700536532.db2.gz LRUBRTUWFPYQHC-UHFFFAOYSA-N 1 1 367.218 3.364 20 10 FGCDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000123044289 700699520 /nfs/dbraw/zinc/69/95/20/700699520.db2.gz WLSSZVHJOIBPHG-IYBDPMFKSA-N 1 1 351.922 3.036 20 10 FGCDMO O=C(CCc1ccoc1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134266571 704818492 /nfs/dbraw/zinc/81/84/92/704818492.db2.gz XPJIAUZCZOQLFP-QGZVFWFLSA-N 1 1 362.857 3.352 20 10 FGCDMO Cc1cc(C(=O)NCC[NH+]2CCSCC2)c(C)n1-c1ccccc1C ZINC000732777490 722488345 /nfs/dbraw/zinc/48/83/45/722488345.db2.gz OXZRNGVEKFFTTR-UHFFFAOYSA-N 1 1 357.523 3.181 20 10 FGCDMO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1ccc(F)cc1O ZINC000756341199 722963032 /nfs/dbraw/zinc/96/30/32/722963032.db2.gz ICEZVLLLOLKFTO-YOEHRIQHSA-N 1 1 363.502 3.232 20 10 FGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000790949251 723198125 /nfs/dbraw/zinc/19/81/25/723198125.db2.gz FQMSCNVFWRONPN-UHFFFAOYSA-N 1 1 363.864 3.097 20 10 FGCDMO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790956482 723199284 /nfs/dbraw/zinc/19/92/84/723199284.db2.gz PZTDJNNSRREPMY-ZDUSSCGKSA-N 1 1 353.821 3.331 20 10 FGCDMO CN(C(=O)C[N@H+](C)Cc1cc(Br)ccc1O)C1CCCCC1 ZINC000768302603 723653578 /nfs/dbraw/zinc/65/35/78/723653578.db2.gz IQAJSBZOTYBJJQ-UHFFFAOYSA-N 1 1 369.303 3.378 20 10 FGCDMO CN(C(=O)C[N@@H+](C)Cc1cc(Br)ccc1O)C1CCCCC1 ZINC000768302603 723653580 /nfs/dbraw/zinc/65/35/80/723653580.db2.gz IQAJSBZOTYBJJQ-UHFFFAOYSA-N 1 1 369.303 3.378 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000768953579 723673138 /nfs/dbraw/zinc/67/31/38/723673138.db2.gz YCRLJWYJPUASBQ-LLVKDONJSA-N 1 1 373.291 3.466 20 10 FGCDMO C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769514804 723688515 /nfs/dbraw/zinc/68/85/15/723688515.db2.gz LPQSLFNLCKLILV-ZDUSSCGKSA-N 1 1 353.850 3.118 20 10 FGCDMO C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769514804 723688516 /nfs/dbraw/zinc/68/85/16/723688516.db2.gz LPQSLFNLCKLILV-ZDUSSCGKSA-N 1 1 353.850 3.118 20 10 FGCDMO C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769514804 723688517 /nfs/dbraw/zinc/68/85/17/723688517.db2.gz LPQSLFNLCKLILV-ZDUSSCGKSA-N 1 1 353.850 3.118 20 10 FGCDMO C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769514804 723688518 /nfs/dbraw/zinc/68/85/18/723688518.db2.gz LPQSLFNLCKLILV-ZDUSSCGKSA-N 1 1 353.850 3.118 20 10 FGCDMO CC(C)CO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771060777 723726986 /nfs/dbraw/zinc/72/69/86/723726986.db2.gz YVCMMNUSCCRTAN-PBHICJAKSA-N 1 1 368.905 3.187 20 10 FGCDMO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774358715 723885351 /nfs/dbraw/zinc/88/53/51/723885351.db2.gz HJRMZTJEJWQMID-DRZCJDIDSA-N 1 1 364.269 3.170 20 10 FGCDMO C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)CC1 ZINC000798957349 723979935 /nfs/dbraw/zinc/97/99/35/723979935.db2.gz UHPYFJIWZNNODF-UHFFFAOYSA-N 1 1 353.304 3.463 20 10 FGCDMO CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1cc(Cl)ccc1[O-] ZINC000775541171 723999130 /nfs/dbraw/zinc/99/91/30/723999130.db2.gz RGFKLMQJVFCIJB-SJORKVTESA-N 1 1 369.937 3.179 20 10 FGCDMO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775665459 724019842 /nfs/dbraw/zinc/01/98/42/724019842.db2.gz CDKWMEZICIZJMG-GASCZTMLSA-N 1 1 369.912 3.175 20 10 FGCDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775665459 724019856 /nfs/dbraw/zinc/01/98/56/724019856.db2.gz CDKWMEZICIZJMG-GASCZTMLSA-N 1 1 369.912 3.175 20 10 FGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777439016 724225888 /nfs/dbraw/zinc/22/58/88/724225888.db2.gz GIJRYMSXPZKKSB-QGZVFWFLSA-N 1 1 366.230 3.387 20 10 FGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777439016 724225891 /nfs/dbraw/zinc/22/58/91/724225891.db2.gz GIJRYMSXPZKKSB-QGZVFWFLSA-N 1 1 366.230 3.387 20 10 FGCDMO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805224770 725057229 /nfs/dbraw/zinc/05/72/29/725057229.db2.gz XCCLVHSBPYVYNJ-OLZOCXBDSA-N 1 1 360.285 3.371 20 10 FGCDMO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000809714143 725261884 /nfs/dbraw/zinc/26/18/84/725261884.db2.gz ZWMMNUXRALEPSU-AWEZNQCLSA-N 1 1 369.303 3.344 20 10 FGCDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000809714143 725261886 /nfs/dbraw/zinc/26/18/86/725261886.db2.gz ZWMMNUXRALEPSU-AWEZNQCLSA-N 1 1 369.303 3.344 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+](CCN(C)C)C[C@@H]2CCCO2)c1O ZINC000809737635 725263983 /nfs/dbraw/zinc/26/39/83/725263983.db2.gz KBSCSLMGBGYVPF-INIZCTEOSA-N 1 1 371.319 3.006 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+](CCN(C)C)C[C@@H]2CCCO2)c1O ZINC000809737635 725263987 /nfs/dbraw/zinc/26/39/87/725263987.db2.gz KBSCSLMGBGYVPF-INIZCTEOSA-N 1 1 371.319 3.006 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)C2CCC(CO)CC2)c1O ZINC000809766145 725266248 /nfs/dbraw/zinc/26/62/48/725266248.db2.gz VNTJJQOJWLODSA-UHFFFAOYSA-N 1 1 358.276 3.146 20 10 FGCDMO Cc1cc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)ccc1N(C)C ZINC000815022418 727020817 /nfs/dbraw/zinc/02/08/17/727020817.db2.gz YKAKFLCRVHJQJM-UHFFFAOYSA-N 1 1 357.523 3.471 20 10 FGCDMO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(C(F)(F)F)c1[O-] ZINC000815578197 727084494 /nfs/dbraw/zinc/08/44/94/727084494.db2.gz JOBQWPTXLPZEQX-UONOGXRCSA-N 1 1 360.420 3.299 20 10 FGCDMO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(C(F)(F)F)c1[O-] ZINC000815578198 727084730 /nfs/dbraw/zinc/08/47/30/727084730.db2.gz JOBQWPTXLPZEQX-ZIAGYGMSSA-N 1 1 360.420 3.299 20 10 FGCDMO O=C1[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCN1Cc1ccc(F)cc1 ZINC000816591832 727178665 /nfs/dbraw/zinc/17/86/65/727178665.db2.gz PDVDSUZTOLQWAZ-INIZCTEOSA-N 1 1 366.795 3.215 20 10 FGCDMO COc1cc(Cl)cc(C[NH2+][C@H](C)c2ncc(Br)cn2)c1O ZINC000816627134 727181881 /nfs/dbraw/zinc/18/18/81/727181881.db2.gz FTFABHPTMBTTQQ-MRVPVSSYSA-N 1 1 372.650 3.458 20 10 FGCDMO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000818344439 727308623 /nfs/dbraw/zinc/30/86/23/727308623.db2.gz CUBWLVUKQVTZPE-SNVBAGLBSA-N 1 1 353.264 3.234 20 10 FGCDMO Cc1cc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)ccc1N1CCCCC1 ZINC000827820622 729435488 /nfs/dbraw/zinc/43/54/88/729435488.db2.gz DFFKYZAAOKCXEI-QGZVFWFLSA-N 1 1 364.555 3.383 20 10 FGCDMO Cc1cc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)ccc1N1CCCCC1 ZINC000827820622 729435489 /nfs/dbraw/zinc/43/54/89/729435489.db2.gz DFFKYZAAOKCXEI-QGZVFWFLSA-N 1 1 364.555 3.383 20 10 FGCDMO CN(C)c1ccc(/C=C\C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000835026402 729850641 /nfs/dbraw/zinc/85/06/41/729850641.db2.gz SXYRLDCZQKEMAQ-YZBXUTEPSA-N 1 1 350.528 3.053 20 10 FGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000835026402 729850643 /nfs/dbraw/zinc/85/06/43/729850643.db2.gz SXYRLDCZQKEMAQ-YZBXUTEPSA-N 1 1 350.528 3.053 20 10 FGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000841043276 730205871 /nfs/dbraw/zinc/20/58/71/730205871.db2.gz QKMGZVFVZCEZIC-SFHVURJKSA-N 1 1 355.511 3.004 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000841322569 730232012 /nfs/dbraw/zinc/23/20/12/730232012.db2.gz VALNOEMEYGODSG-UHFFFAOYSA-N 1 1 367.236 3.061 20 10 FGCDMO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841754431 730271021 /nfs/dbraw/zinc/27/10/21/730271021.db2.gz RMXFVXYJRIIPSR-KSSFIOAISA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841754431 730271025 /nfs/dbraw/zinc/27/10/25/730271025.db2.gz RMXFVXYJRIIPSR-KSSFIOAISA-N 1 1 360.885 3.463 20 10 FGCDMO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(O)ccc2cc(Br)ccc21 ZINC000844742325 730761130 /nfs/dbraw/zinc/76/11/30/730761130.db2.gz UDRBXQZRAWWOSZ-BYVOGVQKSA-N 1 1 366.280 3.013 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1O ZINC000848518244 731174305 /nfs/dbraw/zinc/17/43/05/731174305.db2.gz JJFSZBHPWNGKMK-RYUDHWBXSA-N 1 1 369.303 3.298 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cc2cc(C)[nH]n2)c1O ZINC000848535048 731177068 /nfs/dbraw/zinc/17/70/68/731177068.db2.gz CLHYFNGJGFEOMP-ONGXEEELSA-N 1 1 368.275 3.477 20 10 FGCDMO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000850500781 731365352 /nfs/dbraw/zinc/36/53/52/731365352.db2.gz JYDGDPZQQOAXJJ-KBPBESRZSA-N 1 1 372.351 3.077 20 10 FGCDMO CCc1nc([C@H](C)N(CC)Cc2cc(Br)ccc2O)n[nH]1 ZINC000851792595 731498836 /nfs/dbraw/zinc/49/88/36/731498836.db2.gz MSBXDQLXRMUSDL-JTQLQIEISA-N 1 1 353.264 3.418 20 10 FGCDMO O=C(NCCCSc1nccs1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853859756 731763752 /nfs/dbraw/zinc/76/37/52/731763752.db2.gz XNVBVDWJIXNGDQ-OAHLLOKOSA-N 1 1 368.572 3.047 20 10 FGCDMO CC[C@@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1cc(Cl)ccc1O ZINC000858583546 732228612 /nfs/dbraw/zinc/22/86/12/732228612.db2.gz KOFZPKDXZSWGBO-CQSZACIVSA-N 1 1 359.861 3.343 20 10 FGCDMO Oc1cccc(Br)c1C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000862386326 732821384 /nfs/dbraw/zinc/82/13/84/732821384.db2.gz OYRSQRHJGAETJJ-UHFFFAOYSA-N 1 1 366.234 3.011 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(Br)cn2)c1 ZINC000866569113 733367996 /nfs/dbraw/zinc/36/79/96/733367996.db2.gz MEHPNKDYKNYUGU-SNVBAGLBSA-N 1 1 365.227 3.187 20 10 FGCDMO CCc1cc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872794424 735677647 /nfs/dbraw/zinc/67/76/47/735677647.db2.gz IXARGXYXAIRMPF-NVXWUHKLSA-N 1 1 365.539 3.119 20 10 FGCDMO COc1cc(NCc2ccc(F)c(F)c2O)ccc1OCC[NH+](C)C ZINC000877594366 736690152 /nfs/dbraw/zinc/69/01/52/736690152.db2.gz ROLLYVNIJSAVBT-UHFFFAOYSA-N 1 1 352.381 3.232 20 10 FGCDMO Cc1ccc(S(=O)(=O)C2CC[NH+](Cc3cccc(C)c3O)CC2)cc1 ZINC000877779434 736719514 /nfs/dbraw/zinc/71/95/14/736719514.db2.gz ISYRVWSEFKXXTE-UHFFFAOYSA-N 1 1 359.491 3.447 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877822735 736731406 /nfs/dbraw/zinc/73/14/06/736731406.db2.gz HTOJZRMEPANIOQ-YOEHRIQHSA-N 1 1 358.404 3.065 20 10 FGCDMO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000883035183 737514353 /nfs/dbraw/zinc/51/43/53/737514353.db2.gz SXBVECBXPROSEP-GJZGRUSLSA-N 1 1 352.203 3.042 20 10 FGCDMO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000883308880 737552066 /nfs/dbraw/zinc/55/20/66/737552066.db2.gz ZHGPOCJKRDSQNB-GHMZBOCLSA-N 1 1 351.390 3.029 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1cccc(NS(C)(=O)=O)c1 ZINC000886516388 739264078 /nfs/dbraw/zinc/26/40/78/739264078.db2.gz GOVPLHKMLPBGBO-NEPJUHHUSA-N 1 1 352.431 3.315 20 10 FGCDMO COc1c([O-])c(C[N@@H+](C)CCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000895683819 742439248 /nfs/dbraw/zinc/43/92/48/742439248.db2.gz TXNSFLOYDAIURV-UHFFFAOYSA-N 1 1 351.447 3.007 20 10 FGCDMO Cc1cc(Br)cc(CNCc2cc(N(C)C)cc[nH+]2)c1O ZINC000896297386 742528849 /nfs/dbraw/zinc/52/88/49/742528849.db2.gz AUDROPASAZWGFU-UHFFFAOYSA-N 1 1 350.260 3.214 20 10 FGCDMO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cc4c(cc3O)CCC4)C2)s1 ZINC000902439666 743743534 /nfs/dbraw/zinc/74/35/34/743743534.db2.gz UDGRBVIWTCDIRR-AWEZNQCLSA-N 1 1 358.463 3.114 20 10 FGCDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000081361090 493877972 /nfs/dbraw/zinc/87/79/72/493877972.db2.gz PYGKYLAYANVAGB-GOSISDBHSA-N 1 1 354.498 3.293 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000072801463 494253462 /nfs/dbraw/zinc/25/34/62/494253462.db2.gz ZFBUNYMWOOUYOZ-UHFFFAOYSA-N 1 1 368.437 3.439 20 10 FGCDMO COc1cccc(C[NH+]2CCN(C(=O)Nc3cccc(C)c3)CC2)c1O ZINC000092760187 494739682 /nfs/dbraw/zinc/73/96/82/494739682.db2.gz LEPIYMCFTGCKAB-UHFFFAOYSA-N 1 1 355.438 3.059 20 10 FGCDMO COc1cccc([C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)c1 ZINC000093079826 494823001 /nfs/dbraw/zinc/82/30/01/494823001.db2.gz UXUFCHREIFFEBR-QFIPXVFZSA-N 1 1 368.477 3.105 20 10 FGCDMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)c1 ZINC000093079826 494823006 /nfs/dbraw/zinc/82/30/06/494823006.db2.gz UXUFCHREIFFEBR-QFIPXVFZSA-N 1 1 368.477 3.105 20 10 FGCDMO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000111235996 495052631 /nfs/dbraw/zinc/05/26/31/495052631.db2.gz RYDAZEVJLVWRJW-HNNXBMFYSA-N 1 1 372.465 3.027 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)c1 ZINC000123858860 495197862 /nfs/dbraw/zinc/19/78/62/495197862.db2.gz HXPFEKZAURONOG-KRWDZBQOSA-N 1 1 356.470 3.446 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)c1 ZINC000123858860 495197867 /nfs/dbraw/zinc/19/78/67/495197867.db2.gz HXPFEKZAURONOG-KRWDZBQOSA-N 1 1 356.470 3.446 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124105473 495234508 /nfs/dbraw/zinc/23/45/08/495234508.db2.gz TYVCRDAIBGDCQZ-GOSISDBHSA-N 1 1 353.514 3.450 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000120547350 495402619 /nfs/dbraw/zinc/40/26/19/495402619.db2.gz UUADOMZFMSWTOP-GHTZIAJQSA-N 1 1 372.557 3.405 20 10 FGCDMO CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCN(CC)CC3)c(F)c2)cn1 ZINC000155290588 495906035 /nfs/dbraw/zinc/90/60/35/495906035.db2.gz TYUANKRGZNFXQA-INIZCTEOSA-N 1 1 359.493 3.035 20 10 FGCDMO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc(N4CCOCC4)c(F)c3)cn21 ZINC000178062256 496311165 /nfs/dbraw/zinc/31/11/65/496311165.db2.gz RTUJBGHUINYWHD-INIZCTEOSA-N 1 1 368.456 3.469 20 10 FGCDMO COc1cc(Cl)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278536156 497146651 /nfs/dbraw/zinc/14/66/51/497146651.db2.gz WGWYSYRBOWIKSK-UHFFFAOYSA-N 1 1 352.774 3.261 20 10 FGCDMO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)[nH]1 ZINC000271581094 497389699 /nfs/dbraw/zinc/38/96/99/497389699.db2.gz WZRGIOHHUCCDKW-ZIAGYGMSSA-N 1 1 361.465 3.316 20 10 FGCDMO CN(C)c1ccc(CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C2CC2)cc1 ZINC000266781467 497418519 /nfs/dbraw/zinc/41/85/19/497418519.db2.gz KJUOELAFHIATEU-PRJVBOEPSA-N 1 1 370.541 3.442 20 10 FGCDMO COc1cc(O)c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1OC ZINC000271717690 497427863 /nfs/dbraw/zinc/42/78/63/497427863.db2.gz CLSUGRPLUKGAGO-KRWDZBQOSA-N 1 1 373.449 3.296 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000275795935 497433894 /nfs/dbraw/zinc/43/38/94/497433894.db2.gz XSJKJOOOBOTKND-GFCCVEGCSA-N 1 1 374.403 3.104 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+][C@H](c3nccn3C)C3CC3)cc2F)C[C@@H](C)O1 ZINC000271774476 497445699 /nfs/dbraw/zinc/44/56/99/497445699.db2.gz FXGIVFYLQYTJPT-SXGZJXTBSA-N 1 1 372.488 3.414 20 10 FGCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000272949505 497769206 /nfs/dbraw/zinc/76/92/06/497769206.db2.gz MPDNCHUWWXDVKX-QGZVFWFLSA-N 1 1 358.530 3.323 20 10 FGCDMO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)c1O ZINC000296329331 498001202 /nfs/dbraw/zinc/00/12/02/498001202.db2.gz HEMDTLZMIWVSGG-VIFPVBQESA-N 1 1 351.248 3.309 20 10 FGCDMO CC[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(F)cc1O ZINC000285512065 498113314 /nfs/dbraw/zinc/11/33/14/498113314.db2.gz ATCZWLSXRVXMLM-SJCJKPOMSA-N 1 1 366.458 3.241 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCS[C@H]4COCC[C@H]43)cc2)CC1 ZINC000296685546 498152760 /nfs/dbraw/zinc/15/27/60/498152760.db2.gz CAXRCMZOZUCFNJ-UXHICEINSA-N 1 1 362.539 3.008 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)cc2)CC1 ZINC000296685548 498152868 /nfs/dbraw/zinc/15/28/68/498152868.db2.gz CAXRCMZOZUCFNJ-VQTJNVASSA-N 1 1 362.539 3.008 20 10 FGCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)c1O ZINC000364903756 498201525 /nfs/dbraw/zinc/20/15/25/498201525.db2.gz GCVIAKJGKBIRAR-OAHLLOKOSA-N 1 1 351.410 3.268 20 10 FGCDMO CC(C)(C)c1cc(C[NH2+]Cc2nnc3n2CCOC3)c(O)c(C(C)(C)C)c1 ZINC000365158927 498327609 /nfs/dbraw/zinc/32/76/09/498327609.db2.gz DOEXOFUMBDGKRF-UHFFFAOYSA-N 1 1 372.513 3.399 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)ccc21 ZINC000362948716 498586910 /nfs/dbraw/zinc/58/69/10/498586910.db2.gz UVOBZUXIPUQENX-LJQANCHMSA-N 1 1 369.509 3.215 20 10 FGCDMO CN(C)c1ccc(CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C2CC2)cc1 ZINC000294282607 498644312 /nfs/dbraw/zinc/64/43/12/498644312.db2.gz HVCMFXRXDQSYII-UHFFFAOYSA-N 1 1 361.449 3.138 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC(c3ccc(C)nc3)CC2)ccc1[N+](=O)[O-] ZINC000365798071 498646322 /nfs/dbraw/zinc/64/63/22/498646322.db2.gz UAFKNNHXXRZSEH-UHFFFAOYSA-N 1 1 357.410 3.392 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1O ZINC000372522041 499138679 /nfs/dbraw/zinc/13/86/79/499138679.db2.gz MJPVFWAYLCYAGE-JXFKEZNVSA-N 1 1 371.456 3.254 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1O ZINC000372522041 499138680 /nfs/dbraw/zinc/13/86/80/499138680.db2.gz MJPVFWAYLCYAGE-JXFKEZNVSA-N 1 1 371.456 3.254 20 10 FGCDMO CC[C@@H](c1cccc(Cl)c1[O-])[N@H+]1CCO[C@H](c2nncn2CC)C1 ZINC000367897380 499242867 /nfs/dbraw/zinc/24/28/67/499242867.db2.gz SQULMGVCXLUYKE-GJZGRUSLSA-N 1 1 350.850 3.182 20 10 FGCDMO CN1CCCc2cc(C[NH2+][C@@H]3CCS(=O)(=O)c4c(F)cccc43)ccc21 ZINC000368376806 499290241 /nfs/dbraw/zinc/29/02/41/499290241.db2.gz JGINCFGOILIJQQ-GOSISDBHSA-N 1 1 374.481 3.216 20 10 FGCDMO COc1ccc([C@@H](O)[C@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2O)cc1 ZINC000371422276 499324672 /nfs/dbraw/zinc/32/46/72/499324672.db2.gz DZYQMOHWGNSAEF-DYESRHJHSA-N 1 1 373.449 3.116 20 10 FGCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(N2CCCCC2)cc1 ZINC000371471001 499331470 /nfs/dbraw/zinc/33/14/70/499331470.db2.gz QCJNTCUAOUQWOW-YPAWHYETSA-N 1 1 357.542 3.360 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000369104979 499365969 /nfs/dbraw/zinc/36/59/69/499365969.db2.gz OEPDQBLQVCZVFG-TZIWHRDSSA-N 1 1 370.541 3.349 20 10 FGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2nnc(C)n2C)c2ccccc2)c1 ZINC000371876640 499374419 /nfs/dbraw/zinc/37/44/19/499374419.db2.gz OAEUITTYCXQZPT-DJJJIMSYSA-N 1 1 352.438 3.278 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369519607 499412131 /nfs/dbraw/zinc/41/21/31/499412131.db2.gz BYLZMFWPJSXIML-KDOFPFPSSA-N 1 1 359.495 3.288 20 10 FGCDMO CCc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000372442839 499435365 /nfs/dbraw/zinc/43/53/65/499435365.db2.gz ZYEBTBLDDWSJNV-LJQANCHMSA-N 1 1 366.509 3.255 20 10 FGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)c1 ZINC000378344554 499504354 /nfs/dbraw/zinc/50/43/54/499504354.db2.gz ALYJIDDOLDISNX-HNNXBMFYSA-N 1 1 351.410 3.268 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000378346132 499504683 /nfs/dbraw/zinc/50/46/83/499504683.db2.gz PACFUDYSLWGZDB-QGZVFWFLSA-N 1 1 364.453 3.320 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000378346132 499504684 /nfs/dbraw/zinc/50/46/84/499504684.db2.gz PACFUDYSLWGZDB-QGZVFWFLSA-N 1 1 364.453 3.320 20 10 FGCDMO COc1cc(O)c(C[NH2+]C[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1OC ZINC000378522542 499527712 /nfs/dbraw/zinc/52/77/12/499527712.db2.gz SPCNDYZGNYJRSP-IIBYNOLFSA-N 1 1 356.466 3.192 20 10 FGCDMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(O)c1O ZINC000378573202 499533074 /nfs/dbraw/zinc/53/30/74/499533074.db2.gz RAMUQPFRXAZIMP-QFBILLFUSA-N 1 1 368.477 3.389 20 10 FGCDMO COc1cc(O)c(CN[C@@H]2c3ccccc3CC[C@@H]2[NH+](C)C)cc1OC ZINC000376484360 499611822 /nfs/dbraw/zinc/61/18/22/499611822.db2.gz MFBGOQPPUXZOND-LAUBAEHRSA-N 1 1 356.466 3.117 20 10 FGCDMO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)c1O ZINC000377803574 499736572 /nfs/dbraw/zinc/73/65/72/499736572.db2.gz YAUUTHMJZYMGMV-JQWIXIFHSA-N 1 1 350.260 3.394 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3cocn3)no2)C1 ZINC000582386444 506200219 /nfs/dbraw/zinc/20/02/19/506200219.db2.gz APXWVTFLHUXGGZ-UHFFFAOYSA-N 1 1 363.421 3.494 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(F)(F)C2)C1 ZINC000444271591 500827224 /nfs/dbraw/zinc/82/72/24/500827224.db2.gz YZFOYDPNLSZXBN-UHFFFAOYSA-N 1 1 361.436 3.275 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCO[C@H](C)C2)C1 ZINC000436036065 501061304 /nfs/dbraw/zinc/06/13/04/501061304.db2.gz WZIJITFBBVNAQS-IAGOWNOFSA-N 1 1 369.509 3.092 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000471478477 502040086 /nfs/dbraw/zinc/04/00/86/502040086.db2.gz AVNQTRKWQQJDHL-SFHVURJKSA-N 1 1 354.454 3.182 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000471585359 502074286 /nfs/dbraw/zinc/07/42/86/502074286.db2.gz KNASGVZEDYNODD-HZPDHXFCSA-N 1 1 356.514 3.406 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[N@H+](C(C)C)CC3)ccc21 ZINC000486494458 502170245 /nfs/dbraw/zinc/17/02/45/502170245.db2.gz CYIYGSRLRHTMNR-UHFFFAOYSA-N 1 1 371.525 3.461 20 10 FGCDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)[C@H](C)C1 ZINC000472226190 502276974 /nfs/dbraw/zinc/27/69/74/502276974.db2.gz VGYGCEYLAOPHTI-CRAIPNDOSA-N 1 1 356.514 3.358 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000472239899 502281738 /nfs/dbraw/zinc/28/17/38/502281738.db2.gz MSCBRFXZTZRBNV-AEFFLSMTSA-N 1 1 354.498 3.112 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3[C@@H]4CC[C@H]3CC[N@H+](C)C4)ccc21 ZINC000552421921 505488572 /nfs/dbraw/zinc/48/85/72/505488572.db2.gz SWHICZMAVNGLCY-RBUKOAKNSA-N 1 1 369.509 3.213 20 10 FGCDMO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000076118563 700224592 /nfs/dbraw/zinc/22/45/92/700224592.db2.gz HJLZAOAAYBCVNF-NWDGAFQWSA-N 1 1 357.292 3.280 20 10 FGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1ccccc1Cl ZINC000076192251 700227059 /nfs/dbraw/zinc/22/70/59/700227059.db2.gz HBOYPRJSKJGQDW-FQEVSTJZSA-N 1 1 360.885 3.342 20 10 FGCDMO Oc1c(Br)cccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000092482772 700436446 /nfs/dbraw/zinc/43/64/46/700436446.db2.gz RKPMCPRNOLWVHH-UHFFFAOYSA-N 1 1 368.300 3.324 20 10 FGCDMO Oc1c(Br)cccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000092482772 700436449 /nfs/dbraw/zinc/43/64/49/700436449.db2.gz RKPMCPRNOLWVHH-UHFFFAOYSA-N 1 1 368.300 3.324 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1O ZINC000093643860 700453007 /nfs/dbraw/zinc/45/30/07/700453007.db2.gz HCWBTVIFXKWHAS-FZMZJTMJSA-N 1 1 357.292 3.078 20 10 FGCDMO CCN(C(=O)C[N@H+](C)Cc1ccccc1O)c1nc2ccccc2s1 ZINC000109771763 700536381 /nfs/dbraw/zinc/53/63/81/700536381.db2.gz IQHZBCRZGCSFHB-UHFFFAOYSA-N 1 1 355.463 3.487 20 10 FGCDMO CCN(C(=O)C[N@@H+](C)Cc1ccccc1O)c1nc2ccccc2s1 ZINC000109771763 700536384 /nfs/dbraw/zinc/53/63/84/700536384.db2.gz IQHZBCRZGCSFHB-UHFFFAOYSA-N 1 1 355.463 3.487 20 10 FGCDMO C[C@](O)(C[NH2+]Cc1cccc(Br)c1O)c1ccc(F)cc1F ZINC000114509101 700578523 /nfs/dbraw/zinc/57/85/23/700578523.db2.gz FSIGDDRODNQYBQ-INIZCTEOSA-N 1 1 372.209 3.430 20 10 FGCDMO Cc1cc(O)c(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cc1C ZINC000129130513 700783987 /nfs/dbraw/zinc/78/39/87/700783987.db2.gz XCXRHYNXNLSQDE-UHFFFAOYSA-N 1 1 360.420 3.096 20 10 FGCDMO COCCN(C)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153733406 705009901 /nfs/dbraw/zinc/00/99/01/705009901.db2.gz PHOPYCZWIQFQKO-QGZVFWFLSA-N 1 1 351.510 3.435 20 10 FGCDMO CCN(C[C@@H]1CC[N@@H+](Cc2cc(OC)c(C)cc2O)C1)CC(F)(F)F ZINC000160350965 705250579 /nfs/dbraw/zinc/25/05/79/705250579.db2.gz MRBJBSYLYYRDJO-AWEZNQCLSA-N 1 1 360.420 3.415 20 10 FGCDMO CCCC[N@@H+](Cc1ccc(N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160790655 705261394 /nfs/dbraw/zinc/26/13/94/705261394.db2.gz RRCQPNUHIPEFNB-LJQANCHMSA-N 1 1 352.544 3.322 20 10 FGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2cc(Br)cn2C)c1O ZINC000164491231 705330299 /nfs/dbraw/zinc/33/02/99/705330299.db2.gz MDNSARFLSHLYQP-UHFFFAOYSA-N 1 1 353.260 3.442 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000781911596 724611204 /nfs/dbraw/zinc/61/12/04/724611204.db2.gz MGEYCZYFOZIVKG-DGCLKSJQSA-N 1 1 368.193 3.351 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000781911596 724611207 /nfs/dbraw/zinc/61/12/07/724611207.db2.gz MGEYCZYFOZIVKG-DGCLKSJQSA-N 1 1 368.193 3.351 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000783596629 724769880 /nfs/dbraw/zinc/76/98/80/724769880.db2.gz ZIDXZYPUHYDOIW-LBPRGKRZSA-N 1 1 355.360 3.453 20 10 FGCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000731843417 722478482 /nfs/dbraw/zinc/47/84/82/722478482.db2.gz DIDSZTSDDMUHMZ-OAHLLOKOSA-N 1 1 355.356 3.283 20 10 FGCDMO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000732203136 722482322 /nfs/dbraw/zinc/48/23/22/722482322.db2.gz PYYHIMXVRGVHEY-UHFFFAOYSA-N 1 1 362.857 3.015 20 10 FGCDMO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cc(Br)ccc1O ZINC000743870801 722572180 /nfs/dbraw/zinc/57/21/80/722572180.db2.gz BNFFMJAUJNOGJM-UHFFFAOYSA-N 1 1 369.303 3.379 20 10 FGCDMO CCc1cc(C[NH+]2CCC(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000760398693 723053687 /nfs/dbraw/zinc/05/36/87/723053687.db2.gz BDUAKEGVNFHLSI-UHFFFAOYSA-N 1 1 353.528 3.261 20 10 FGCDMO O=C1OCCN1c1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000790953778 723198463 /nfs/dbraw/zinc/19/84/63/723198463.db2.gz CAKSYNYXQXGMKU-UHFFFAOYSA-N 1 1 350.777 3.431 20 10 FGCDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792840307 723373344 /nfs/dbraw/zinc/37/33/44/723373344.db2.gz GCWMRLPGIAUUDK-INIZCTEOSA-N 1 1 360.420 3.399 20 10 FGCDMO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(F)cc1O ZINC000796766120 723653903 /nfs/dbraw/zinc/65/39/03/723653903.db2.gz SVHPOEHAIOYAIN-PXAZEXFGSA-N 1 1 355.356 3.290 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC000768353504 723655134 /nfs/dbraw/zinc/65/51/34/723655134.db2.gz VMLYRHMRYIFZGO-OAHLLOKOSA-N 1 1 351.466 3.381 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC000768353504 723655135 /nfs/dbraw/zinc/65/51/35/723655135.db2.gz VMLYRHMRYIFZGO-OAHLLOKOSA-N 1 1 351.466 3.381 20 10 FGCDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)o1 ZINC000769236934 723680269 /nfs/dbraw/zinc/68/02/69/723680269.db2.gz JEJOTTFYJPHVGZ-LLVKDONJSA-N 1 1 352.232 3.226 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1O ZINC000769314255 723682092 /nfs/dbraw/zinc/68/20/92/723682092.db2.gz WVODGTYUPQXUAG-CQSZACIVSA-N 1 1 366.259 3.197 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769424056 723685338 /nfs/dbraw/zinc/68/53/38/723685338.db2.gz QOUKIMDLUWZQEA-ZFWWWQNUSA-N 1 1 350.459 3.136 20 10 FGCDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000769548193 723689450 /nfs/dbraw/zinc/68/94/50/723689450.db2.gz HVTCYFDJRDCCFR-UYAOXDASSA-N 1 1 350.478 3.298 20 10 FGCDMO Cc1ncc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000771060133 723727004 /nfs/dbraw/zinc/72/70/04/723727004.db2.gz VSYWCQVOEMUAGX-CQSZACIVSA-N 1 1 365.886 3.205 20 10 FGCDMO Cc1ncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000771060133 723727005 /nfs/dbraw/zinc/72/70/05/723727005.db2.gz VSYWCQVOEMUAGX-CQSZACIVSA-N 1 1 365.886 3.205 20 10 FGCDMO CCO[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCCC1 ZINC000775033140 723954604 /nfs/dbraw/zinc/95/46/04/723954604.db2.gz LFPPMUIMVLKJFZ-INIZCTEOSA-N 1 1 352.431 3.384 20 10 FGCDMO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(C)cc(Br)c2O)c1 ZINC000786162953 724964468 /nfs/dbraw/zinc/96/44/68/724964468.db2.gz MOZWLGYGVFOKOP-INIZCTEOSA-N 1 1 364.283 3.465 20 10 FGCDMO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)n1 ZINC000786947680 725009597 /nfs/dbraw/zinc/00/95/97/725009597.db2.gz AASZNIPEGBDSHM-VIFPVBQESA-N 1 1 356.394 3.197 20 10 FGCDMO NC(=O)C[C@@H]1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000808226608 725188673 /nfs/dbraw/zinc/18/86/73/725188673.db2.gz GJXBPLPGABGBQM-NSHDSACASA-N 1 1 363.255 3.005 20 10 FGCDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000809696304 725259405 /nfs/dbraw/zinc/25/94/05/725259405.db2.gz GTNSLEVLXMIYGF-AWEZNQCLSA-N 1 1 351.752 3.281 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)c1 ZINC000810253180 725300092 /nfs/dbraw/zinc/30/00/92/725300092.db2.gz NNSYHNBWXCWZOC-HXPMCKFVSA-N 1 1 361.463 3.379 20 10 FGCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1(CCF)CC1 ZINC000810631661 725318726 /nfs/dbraw/zinc/31/87/26/725318726.db2.gz MXNYKXGPHNZEHJ-HNNXBMFYSA-N 1 1 354.853 3.266 20 10 FGCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCSC1 ZINC000810631466 725318788 /nfs/dbraw/zinc/31/87/88/725318788.db2.gz UYLNTVLRPPOMTQ-BBRMVZONSA-N 1 1 368.930 3.269 20 10 FGCDMO C[NH+](C)CC(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816527145 727171940 /nfs/dbraw/zinc/17/19/40/727171940.db2.gz YRLPVGCGAVCPKP-UHFFFAOYSA-N 1 1 351.809 3.297 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCCN1 ZINC000817899402 727287371 /nfs/dbraw/zinc/28/73/71/727287371.db2.gz LMLVUBMZWHOHQS-VKJFTORMSA-N 1 1 353.457 3.377 20 10 FGCDMO Fc1cnc(Cl)c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000824537847 729346013 /nfs/dbraw/zinc/34/60/13/729346013.db2.gz IKWZAXQKISRZOO-UHFFFAOYSA-N 1 1 353.800 3.140 20 10 FGCDMO COc1cc(Br)cc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c1O ZINC000825332508 729379138 /nfs/dbraw/zinc/37/91/38/729379138.db2.gz ZHEWKTMCQCPWEL-CQSZACIVSA-N 1 1 357.292 3.078 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1 ZINC000827678375 729433191 /nfs/dbraw/zinc/43/31/91/729433191.db2.gz CGXFTKCTTOMDMX-CYBMUJFWSA-N 1 1 369.303 3.200 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1 ZINC000827678375 729433192 /nfs/dbraw/zinc/43/31/92/729433192.db2.gz CGXFTKCTTOMDMX-CYBMUJFWSA-N 1 1 369.303 3.200 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)C2(C)C)c(C)n1-c1ccc(Cl)cn1 ZINC000829973744 729526747 /nfs/dbraw/zinc/52/67/47/729526747.db2.gz KSLIOUPTNUWZHO-KRWDZBQOSA-N 1 1 361.873 3.170 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)C2(C)C)c(C)n1-c1ccc(Cl)cn1 ZINC000829973744 729526749 /nfs/dbraw/zinc/52/67/49/729526749.db2.gz KSLIOUPTNUWZHO-KRWDZBQOSA-N 1 1 361.873 3.170 20 10 FGCDMO CCOC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000830544977 729570235 /nfs/dbraw/zinc/57/02/35/729570235.db2.gz VBFLZVMLYSACSL-INIZCTEOSA-N 1 1 366.889 3.085 20 10 FGCDMO CCC(C)(C)OCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000837484470 730034345 /nfs/dbraw/zinc/03/43/45/730034345.db2.gz GJBAZYUEPXMVGM-MRXNPFEDSA-N 1 1 368.905 3.331 20 10 FGCDMO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cccc(C(F)(F)F)c1O ZINC000840888926 730188481 /nfs/dbraw/zinc/18/84/81/730188481.db2.gz BDNYGMVDCNPLAY-LLVKDONJSA-N 1 1 365.417 3.277 20 10 FGCDMO Brc1cc(CNC2CC[NH2+]CC2)ccc1N1CCCCC1 ZINC000841030520 730204722 /nfs/dbraw/zinc/20/47/22/730204722.db2.gz SOSVIOFFAHJQGY-UHFFFAOYSA-N 1 1 352.320 3.281 20 10 FGCDMO COc1cc(Br)cc(CNCC2([NH3+])CCCCCC2)c1O ZINC000841042970 730205671 /nfs/dbraw/zinc/20/56/71/730205671.db2.gz MJDPRBSIVWXITK-UHFFFAOYSA-N 1 1 357.292 3.305 20 10 FGCDMO Nc1ccc(NC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000841297466 730231107 /nfs/dbraw/zinc/23/11/07/730231107.db2.gz QPUATQDZXXCQLB-GOSISDBHSA-N 1 1 356.495 3.008 20 10 FGCDMO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841752775 730270755 /nfs/dbraw/zinc/27/07/55/730270755.db2.gz IADVUARRXBSLDX-CYBMUJFWSA-N 1 1 374.934 3.146 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1O ZINC000848518692 731174151 /nfs/dbraw/zinc/17/41/51/731174151.db2.gz MQRQJJCGPFYUKC-TUKIKUTGSA-N 1 1 369.303 3.441 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1O ZINC000848518692 731174153 /nfs/dbraw/zinc/17/41/53/731174153.db2.gz MQRQJJCGPFYUKC-TUKIKUTGSA-N 1 1 369.303 3.441 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)c1O ZINC000848551321 731180188 /nfs/dbraw/zinc/18/01/88/731180188.db2.gz JPKAYTQVFHVRCO-ONGXEEELSA-N 1 1 366.259 3.095 20 10 FGCDMO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)c1O ZINC000848553285 731180480 /nfs/dbraw/zinc/18/04/80/731180480.db2.gz JLVWKBYTTGGVIS-SECBINFHSA-N 1 1 369.263 3.256 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)ccc1[O-] ZINC000850506869 731366502 /nfs/dbraw/zinc/36/65/02/731366502.db2.gz CJRHDBIKYFNIDE-KSSFIOAISA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)ccc1[O-] ZINC000850506869 731366504 /nfs/dbraw/zinc/36/65/04/731366504.db2.gz CJRHDBIKYFNIDE-KSSFIOAISA-N 1 1 360.885 3.463 20 10 FGCDMO CCC[N@H+]1CC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000850557116 731372627 /nfs/dbraw/zinc/37/26/27/731372627.db2.gz UOWXDJJBHJCMKM-HZPDHXFCSA-N 1 1 351.922 3.312 20 10 FGCDMO CCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000850557116 731372629 /nfs/dbraw/zinc/37/26/29/731372629.db2.gz UOWXDJJBHJCMKM-HZPDHXFCSA-N 1 1 351.922 3.312 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2[C@H](C)O)c(C)n1-c1ccc(Cl)cn1 ZINC000852559009 731601138 /nfs/dbraw/zinc/60/11/38/731601138.db2.gz NGKCDUYUGJFXNX-WMLDXEAASA-N 1 1 361.873 3.170 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](C)O)c(C)n1-c1ccc(Cl)cn1 ZINC000852559009 731601143 /nfs/dbraw/zinc/60/11/43/731601143.db2.gz NGKCDUYUGJFXNX-WMLDXEAASA-N 1 1 361.873 3.170 20 10 FGCDMO C[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(S(C)(=O)=O)cc1 ZINC000865783619 733269213 /nfs/dbraw/zinc/26/92/13/733269213.db2.gz SCZMGUUZYXFCGW-NSHDSACASA-N 1 1 371.861 3.482 20 10 FGCDMO COC(=O)c1csc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000876551759 736113112 /nfs/dbraw/zinc/11/31/12/736113112.db2.gz VXKUTACABIBDFU-UHFFFAOYSA-N 1 1 360.479 3.003 20 10 FGCDMO OC1CCN(c2ccc(C[N@@H+]3CCO[C@H](c4cccs4)C3)cc2)CC1 ZINC000876643293 736125523 /nfs/dbraw/zinc/12/55/23/736125523.db2.gz CBISLQLLZHKKDF-IBGZPJMESA-N 1 1 358.507 3.283 20 10 FGCDMO OC1CCN(c2ccc(C[N@H+]3CCO[C@H](c4cccs4)C3)cc2)CC1 ZINC000876643293 736125528 /nfs/dbraw/zinc/12/55/28/736125528.db2.gz CBISLQLLZHKKDF-IBGZPJMESA-N 1 1 358.507 3.283 20 10 FGCDMO Cc1cccc(O)c1C[N@@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000876642083 736125640 /nfs/dbraw/zinc/12/56/40/736125640.db2.gz RNVYYCUGBIXDMQ-UHFFFAOYSA-N 1 1 363.479 3.005 20 10 FGCDMO COc1nsc(C[NH2+]Cc2ccc3c(c2)CCO3)c1Br ZINC000876996390 736172701 /nfs/dbraw/zinc/17/27/01/736172701.db2.gz SFRWYUWSIVVAJI-UHFFFAOYSA-N 1 1 355.257 3.139 20 10 FGCDMO Cc1ccc(S(=O)(=O)C2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC000877779431 736718511 /nfs/dbraw/zinc/71/85/11/736718511.db2.gz IPPWJXOSEJQETD-UHFFFAOYSA-N 1 1 359.491 3.447 20 10 FGCDMO COc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)c(O)c1OC ZINC000893700081 742187191 /nfs/dbraw/zinc/18/71/91/742187191.db2.gz AVENURSJAKRMHP-UHFFFAOYSA-N 1 1 350.415 3.002 20 10 FGCDMO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c(O)c1OC ZINC000895017898 742364936 /nfs/dbraw/zinc/36/49/36/742364936.db2.gz JTFREPMRHVTWIO-NVXWUHKLSA-N 1 1 363.841 3.371 20 10 FGCDMO COc1cccc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)c1O ZINC000922999145 759045727 /nfs/dbraw/zinc/04/57/27/759045727.db2.gz AJEIPYKJTJQBKF-UHFFFAOYSA-N 1 1 364.243 3.122 20 10 FGCDMO C[C@@H]([NH2+]CCOC1CCOCC1)c1cc(Br)c(F)cc1O ZINC000927080160 759887230 /nfs/dbraw/zinc/88/72/30/759887230.db2.gz QJTGVMIUDKNNEV-SNVBAGLBSA-N 1 1 362.239 3.140 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000092645071 494692838 /nfs/dbraw/zinc/69/28/38/494692838.db2.gz OAHXWHGIFKSUAW-UHFFFAOYSA-N 1 1 370.497 3.299 20 10 FGCDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000126850258 494849753 /nfs/dbraw/zinc/84/97/53/494849753.db2.gz WSUGUHRWOXUDGT-OAHLLOKOSA-N 1 1 362.493 3.050 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc(CO)c3)cc2F)CC1 ZINC000121740488 494849955 /nfs/dbraw/zinc/84/99/55/494849955.db2.gz XMNKNNDUKRHLJY-KRWDZBQOSA-N 1 1 371.500 3.311 20 10 FGCDMO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000093391862 494884268 /nfs/dbraw/zinc/88/42/68/494884268.db2.gz OJDDVHBRJCPMGZ-INIZCTEOSA-N 1 1 350.528 3.074 20 10 FGCDMO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000093391862 494884271 /nfs/dbraw/zinc/88/42/71/494884271.db2.gz OJDDVHBRJCPMGZ-INIZCTEOSA-N 1 1 350.528 3.074 20 10 FGCDMO C[N@@H+](CCCO)C1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000093394878 494886106 /nfs/dbraw/zinc/88/61/06/494886106.db2.gz FAHVTDWPHRCINF-UHFFFAOYSA-N 1 1 354.494 3.338 20 10 FGCDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000093685091 494912293 /nfs/dbraw/zinc/91/22/93/494912293.db2.gz YXECJYMFGWZTQE-CQSZACIVSA-N 1 1 374.403 3.024 20 10 FGCDMO CCOc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000109773209 494916968 /nfs/dbraw/zinc/91/69/68/494916968.db2.gz LINHFRKLPZPKBI-HNNXBMFYSA-N 1 1 372.465 3.109 20 10 FGCDMO Cc1nn(C)c2ncc(C[N@H+](Cc3ccccc3O)C[C@@H]3CCCO3)cc12 ZINC000111233038 495051254 /nfs/dbraw/zinc/05/12/54/495051254.db2.gz CORWTHBVXVNRNJ-SFHVURJKSA-N 1 1 366.465 3.164 20 10 FGCDMO Cc1nc(C)c(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000134266506 495128122 /nfs/dbraw/zinc/12/81/22/495128122.db2.gz FOMHQCZNIOCHCJ-HNNXBMFYSA-N 1 1 363.845 3.045 20 10 FGCDMO Cc1nc(C)c(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000134266506 495128124 /nfs/dbraw/zinc/12/81/24/495128124.db2.gz FOMHQCZNIOCHCJ-HNNXBMFYSA-N 1 1 363.845 3.045 20 10 FGCDMO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185492244 495598074 /nfs/dbraw/zinc/59/80/74/495598074.db2.gz WLKUIZHJGFHLMD-DLBZAZTESA-N 1 1 358.526 3.423 20 10 FGCDMO Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)n1-c1ccccn1 ZINC000154795799 495731030 /nfs/dbraw/zinc/73/10/30/495731030.db2.gz NXTTVFGTAKRXJU-HKUYNNGSSA-N 1 1 352.482 3.045 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)Cc2cc(Br)cn2C)cc1OC ZINC000160402429 495954898 /nfs/dbraw/zinc/95/48/98/495954898.db2.gz SVWIWPRWDMZSBM-UHFFFAOYSA-N 1 1 369.259 3.142 20 10 FGCDMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000186587721 496058482 /nfs/dbraw/zinc/05/84/82/496058482.db2.gz QSDSJWDAMNNVKP-UXHICEINSA-N 1 1 358.574 3.354 20 10 FGCDMO COc1cc(N2CCN(c3cc[nH+]cc3Cl)CC2)cc(OC)c1OC ZINC000183997407 496193662 /nfs/dbraw/zinc/19/36/62/496193662.db2.gz WORWFHQXYFFGHY-UHFFFAOYSA-N 1 1 363.845 3.087 20 10 FGCDMO C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000162491058 496360285 /nfs/dbraw/zinc/36/02/85/496360285.db2.gz SNELSLKOVIMOCW-GOSISDBHSA-N 1 1 362.537 3.104 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnccn1 ZINC000163401386 496510515 /nfs/dbraw/zinc/51/05/15/496510515.db2.gz BGWLEIRIEZJWQI-CYBMUJFWSA-N 1 1 366.387 3.183 20 10 FGCDMO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cc(OC)ccc3O)n2)c1 ZINC000191566170 496814947 /nfs/dbraw/zinc/81/49/47/496814947.db2.gz FLOOTAQLHIFCPF-LBPRGKRZSA-N 1 1 355.394 3.310 20 10 FGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)c1nnc2n1CCCCC2 ZINC000273610957 496853042 /nfs/dbraw/zinc/85/30/42/496853042.db2.gz VUDTZHHJHJUMEJ-BBRMVZONSA-N 1 1 372.469 3.299 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278104340 497005175 /nfs/dbraw/zinc/00/51/75/497005175.db2.gz ANARXLSHNNWJLM-BDJLRTHQSA-N 1 1 364.373 3.050 20 10 FGCDMO COc1cccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000271179123 497282411 /nfs/dbraw/zinc/28/24/11/497282411.db2.gz LDXBHMAVQHZSSK-ZFWWWQNUSA-N 1 1 350.459 3.136 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000271754745 497440075 /nfs/dbraw/zinc/44/00/75/497440075.db2.gz CPBOMBPOULOZPQ-BBRMVZONSA-N 1 1 350.459 3.136 20 10 FGCDMO CN(C)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000279911603 497585887 /nfs/dbraw/zinc/58/58/87/497585887.db2.gz LXEQBUTXYMFAJJ-MRXNPFEDSA-N 1 1 351.372 3.088 20 10 FGCDMO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272521916 497650334 /nfs/dbraw/zinc/65/03/34/497650334.db2.gz NSSYCBXLNKIFPB-PKOBYXMFSA-N 1 1 367.493 3.444 20 10 FGCDMO CCCCN(Cc1ccccc1O)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295917152 497852383 /nfs/dbraw/zinc/85/23/83/497852383.db2.gz HSURMLCZWRFRMY-UHFFFAOYSA-N 1 1 350.422 3.415 20 10 FGCDMO CCOC(=O)[C@@H](C)[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CC1 ZINC000295920571 497853991 /nfs/dbraw/zinc/85/39/91/497853991.db2.gz GJNKBOCFVKIWAX-MRXNPFEDSA-N 1 1 360.498 3.218 20 10 FGCDMO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CC1 ZINC000295920571 497853995 /nfs/dbraw/zinc/85/39/95/497853995.db2.gz GJNKBOCFVKIWAX-MRXNPFEDSA-N 1 1 360.498 3.218 20 10 FGCDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC000301155765 497975113 /nfs/dbraw/zinc/97/51/13/497975113.db2.gz AALWTHSYWGJJPI-CQSZACIVSA-N 1 1 362.817 3.425 20 10 FGCDMO CC[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1O ZINC000286121342 498298485 /nfs/dbraw/zinc/29/84/85/498298485.db2.gz OCPJMJPPHGEYSH-INIZCTEOSA-N 1 1 352.431 3.144 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000360777381 498307214 /nfs/dbraw/zinc/30/72/14/498307214.db2.gz YJSLITNSMZHRCQ-MJGOQNOKSA-N 1 1 357.429 3.118 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000360777381 498307221 /nfs/dbraw/zinc/30/72/21/498307221.db2.gz YJSLITNSMZHRCQ-MJGOQNOKSA-N 1 1 357.429 3.118 20 10 FGCDMO COc1c(O)c(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)ccc1[N+](=O)[O-] ZINC000365123302 498308004 /nfs/dbraw/zinc/30/80/04/498308004.db2.gz UTLCDNZQAAQITJ-HNNXBMFYSA-N 1 1 368.393 3.106 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289857894 498324601 /nfs/dbraw/zinc/32/46/01/498324601.db2.gz VIEPGHQXWQQLCP-ZYHUDNBSSA-N 1 1 353.768 3.047 20 10 FGCDMO CCn1cnnc1[C@H]1C[N@H+]([C@H](C)c2ccc3ccccc3c2O)CCO1 ZINC000365525685 498513452 /nfs/dbraw/zinc/51/34/52/498513452.db2.gz CWPKKLMKOUOQTH-RDTXWAMCSA-N 1 1 352.438 3.291 20 10 FGCDMO CCOC(=O)c1csc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000294579406 498737004 /nfs/dbraw/zinc/73/70/04/498737004.db2.gz GUVMMFBQEKAYAJ-UHFFFAOYSA-N 1 1 358.822 3.150 20 10 FGCDMO Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1O ZINC000366305160 498866178 /nfs/dbraw/zinc/86/61/78/498866178.db2.gz PVLSRQZQIRHDAC-QZTJIDSGSA-N 1 1 366.461 3.000 20 10 FGCDMO O=C(C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000366416548 498917161 /nfs/dbraw/zinc/91/71/61/498917161.db2.gz KKLIGZDZVXVMRZ-GSLBUJJMSA-N 1 1 350.422 3.211 20 10 FGCDMO O=C(C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000366416548 498917168 /nfs/dbraw/zinc/91/71/68/498917168.db2.gz KKLIGZDZVXVMRZ-GSLBUJJMSA-N 1 1 350.422 3.211 20 10 FGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)[S@]1=O ZINC000295163484 498929901 /nfs/dbraw/zinc/92/99/01/498929901.db2.gz HHWSSXYDWVEYGU-KQUPGTECSA-N 1 1 364.555 3.033 20 10 FGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)[S@]1=O ZINC000295163484 498929905 /nfs/dbraw/zinc/92/99/05/498929905.db2.gz HHWSSXYDWVEYGU-KQUPGTECSA-N 1 1 364.555 3.033 20 10 FGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363913190 499051341 /nfs/dbraw/zinc/05/13/41/499051341.db2.gz GYYJNLQLPUBKJL-PZJWPPBQSA-N 1 1 370.541 3.445 20 10 FGCDMO CC[C@H](c1ccccc1O)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000367376686 499190891 /nfs/dbraw/zinc/19/08/91/499190891.db2.gz CULIUUYUHIDWBG-XYJFISCASA-N 1 1 358.461 3.178 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3cnn4ccccc34)CC2)cc1 ZINC000367428273 499197676 /nfs/dbraw/zinc/19/76/76/499197676.db2.gz GVCDTQLWMKKTQN-UHFFFAOYSA-N 1 1 350.466 3.444 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3cnc([C@H](C)O)s3)CC2)cc1 ZINC000368016728 499255407 /nfs/dbraw/zinc/25/54/07/499255407.db2.gz LDDLMHLUZICLEL-AWEZNQCLSA-N 1 1 361.511 3.306 20 10 FGCDMO Cc1c[nH]nc1C[NH2+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000368074096 499261881 /nfs/dbraw/zinc/26/18/81/499261881.db2.gz UCKXODINOJHZCI-CYBMUJFWSA-N 1 1 354.376 3.233 20 10 FGCDMO CCc1nccc([C@@H]2CCC[N@@H+](Cc3cc(OC)c(OC)cc3O)C2)n1 ZINC000378436877 499516747 /nfs/dbraw/zinc/51/67/47/499516747.db2.gz DQOPYAQCGSZPKB-CQSZACIVSA-N 1 1 357.454 3.141 20 10 FGCDMO CC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1[O-] ZINC000375800910 499556775 /nfs/dbraw/zinc/55/67/75/499556775.db2.gz FTQRCWBEYZUVIF-OYSPMZIOSA-N 1 1 350.478 3.461 20 10 FGCDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1[O-] ZINC000375800910 499556776 /nfs/dbraw/zinc/55/67/76/499556776.db2.gz FTQRCWBEYZUVIF-OYSPMZIOSA-N 1 1 350.478 3.461 20 10 FGCDMO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O 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/nfs/dbraw/zinc/38/30/53/723383053.db2.gz NUOPMLHPIDWGBP-OAHLLOKOSA-N 1 1 352.862 3.129 20 10 FGCDMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000793605068 723453934 /nfs/dbraw/zinc/45/39/34/723453934.db2.gz NGFKSWPSIVTCEV-IBGZPJMESA-N 1 1 350.434 3.364 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1C ZINC000795654872 723604504 /nfs/dbraw/zinc/60/45/04/723604504.db2.gz FOVGBHVVACVNJQ-CQSZACIVSA-N 1 1 358.404 3.290 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000796037860 723618419 /nfs/dbraw/zinc/61/84/19/723618419.db2.gz VSLYUQKRIXVNOS-CXAGYDPISA-N 1 1 370.287 3.233 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000796037860 723618421 /nfs/dbraw/zinc/61/84/21/723618421.db2.gz VSLYUQKRIXVNOS-CXAGYDPISA-N 1 1 370.287 3.233 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](c2nncn2C)C(C)C)c1 ZINC000796453855 723638406 /nfs/dbraw/zinc/63/84/06/723638406.db2.gz NERIXEVTIAGMDY-CYBMUJFWSA-N 1 1 353.264 3.079 20 10 FGCDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCS1 ZINC000768912056 723672025 /nfs/dbraw/zinc/67/20/25/723672025.db2.gz LYBXLNJGZOKBDJ-GDBMZVCRSA-N 1 1 354.903 3.022 20 10 FGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCS1 ZINC000768912056 723672026 /nfs/dbraw/zinc/67/20/26/723672026.db2.gz LYBXLNJGZOKBDJ-GDBMZVCRSA-N 1 1 354.903 3.022 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c(O)c1 ZINC000768919333 723672200 /nfs/dbraw/zinc/67/22/00/723672200.db2.gz BNIOQRYRPOBPKG-UHFFFAOYSA-N 1 1 360.479 3.201 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000769148785 723678076 /nfs/dbraw/zinc/67/80/76/723678076.db2.gz RXZQEZFONOCTRQ-CQSZACIVSA-N 1 1 350.459 3.232 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000769148785 723678077 /nfs/dbraw/zinc/67/80/77/723678077.db2.gz RXZQEZFONOCTRQ-CQSZACIVSA-N 1 1 350.459 3.232 20 10 FGCDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000769513595 723688282 /nfs/dbraw/zinc/68/82/82/723688282.db2.gz CNNQLDFCBLRKFO-AWEZNQCLSA-N 1 1 353.304 3.318 20 10 FGCDMO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000769513595 723688284 /nfs/dbraw/zinc/68/82/84/723688284.db2.gz CNNQLDFCBLRKFO-AWEZNQCLSA-N 1 1 353.304 3.318 20 10 FGCDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000769513595 723688285 /nfs/dbraw/zinc/68/82/85/723688285.db2.gz CNNQLDFCBLRKFO-AWEZNQCLSA-N 1 1 353.304 3.318 20 10 FGCDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cs1 ZINC000772856781 723770030 /nfs/dbraw/zinc/77/00/30/723770030.db2.gz IDWFDHFVXQFVAI-XJKSGUPXSA-N 1 1 358.511 3.004 20 10 FGCDMO Oc1cc2c(cc1C[N@@H+]1CC=C(c3ccc(Cl)nc3)CC1)[C@H](O)CO2 ZINC000773252905 723780185 /nfs/dbraw/zinc/78/01/85/723780185.db2.gz SINIUJIRAQNEMH-QGZVFWFLSA-N 1 1 358.825 3.156 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H](C)Oc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000775022115 723953156 /nfs/dbraw/zinc/95/31/56/723953156.db2.gz DPCSHGSDAHFDIO-LLVKDONJSA-N 1 1 350.346 3.005 20 10 FGCDMO COc1c(O)c(C[NH2+]CCOc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000775033214 723954505 /nfs/dbraw/zinc/95/45/05/723954505.db2.gz KUKFZMQVMBQRAU-UHFFFAOYSA-N 1 1 352.774 3.131 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H](OC)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000775037447 723954930 /nfs/dbraw/zinc/95/49/30/723954930.db2.gz MGBJMDJMKMEGBN-OAHLLOKOSA-N 1 1 366.801 3.440 20 10 FGCDMO CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775503679 723996684 /nfs/dbraw/zinc/99/66/84/723996684.db2.gz MEUPFWKNRAQZCI-MAUKXSAKSA-N 1 1 351.922 3.255 20 10 FGCDMO Cc1cc(Cl)cc(C[NH+]2CCC(CCN3CCOCC3)CC2)c1O ZINC000775668397 724020415 /nfs/dbraw/zinc/02/04/15/724020415.db2.gz YQQXHSUXSGYOBV-UHFFFAOYSA-N 1 1 352.906 3.288 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000784680362 724872145 /nfs/dbraw/zinc/87/21/45/724872145.db2.gz PENSAIQVUMHTJA-HNNXBMFYSA-N 1 1 350.256 3.238 20 10 FGCDMO CC[NH+]1CCC(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805184204 725055194 /nfs/dbraw/zinc/05/51/94/725055194.db2.gz KNSMUPFTADSAGL-UHFFFAOYSA-N 1 1 360.285 3.230 20 10 FGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c1O ZINC000808675083 725212995 /nfs/dbraw/zinc/21/29/95/725212995.db2.gz VXWHSDRTWMTYLK-MAUKXSAKSA-N 1 1 353.938 3.277 20 10 FGCDMO OC[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CC[C@H]1C(F)(F)F ZINC000809697341 725259936 /nfs/dbraw/zinc/25/99/36/725259936.db2.gz FDASZJBPMYZLOY-WDEREUQCSA-N 1 1 368.193 3.147 20 10 FGCDMO OC[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CC[C@H]1C(F)(F)F ZINC000809697341 725259939 /nfs/dbraw/zinc/25/99/39/725259939.db2.gz FDASZJBPMYZLOY-WDEREUQCSA-N 1 1 368.193 3.147 20 10 FGCDMO CCCC[N@H+](C)C[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810245009 725299447 /nfs/dbraw/zinc/29/94/47/725299447.db2.gz MYNLNFBXWAUHIP-IAGOWNOFSA-N 1 1 351.510 3.433 20 10 FGCDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810245009 725299448 /nfs/dbraw/zinc/29/94/48/725299448.db2.gz MYNLNFBXWAUHIP-IAGOWNOFSA-N 1 1 351.510 3.433 20 10 FGCDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000811971571 725386411 /nfs/dbraw/zinc/38/64/11/725386411.db2.gz CFLLWNQFGCOIEA-GFCCVEGCSA-N 1 1 372.307 3.074 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cnn(C)c3Cl)cc2F)C[C@H](C)O1 ZINC000815114637 727040228 /nfs/dbraw/zinc/04/02/28/727040228.db2.gz AUNUJGFZXDAXOQ-BETUJISGSA-N 1 1 366.868 3.116 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cccc(C(F)(F)F)c1O ZINC000815626603 727087287 /nfs/dbraw/zinc/08/72/87/727087287.db2.gz IFUSEYGJRLVWSM-LLVKDONJSA-N 1 1 352.356 3.290 20 10 FGCDMO O=C1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCN1c1ccccc1F ZINC000816549331 727174331 /nfs/dbraw/zinc/17/43/31/727174331.db2.gz KYZPWPXDJGURTE-CQSZACIVSA-N 1 1 352.768 3.219 20 10 FGCDMO CCc1nocc1C[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000816652180 727185093 /nfs/dbraw/zinc/18/50/93/727185093.db2.gz CDUNPHXWPFQNFW-UHFFFAOYSA-N 1 1 355.232 3.346 20 10 FGCDMO CCc1nocc1C[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000816652180 727185095 /nfs/dbraw/zinc/18/50/95/727185095.db2.gz CDUNPHXWPFQNFW-UHFFFAOYSA-N 1 1 355.232 3.346 20 10 FGCDMO CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000817413961 727248969 /nfs/dbraw/zinc/24/89/69/727248969.db2.gz NPMVAVZKYDTFAK-UHFFFAOYSA-N 1 1 351.922 3.038 20 10 FGCDMO C[N@@H+](Cc1cc(Br)ccc1O)C[C@](C)(O)c1ccccc1 ZINC000822517560 729189720 /nfs/dbraw/zinc/18/97/20/729189720.db2.gz ZQFBFSDTHLTGRU-KRWDZBQOSA-N 1 1 350.256 3.494 20 10 FGCDMO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@](C)(O)c1ccccc1 ZINC000822517561 729189914 /nfs/dbraw/zinc/18/99/14/729189914.db2.gz ZQFBFSDTHLTGRU-QGZVFWFLSA-N 1 1 350.256 3.494 20 10 FGCDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1)C(N)=O ZINC000824608631 729350339 /nfs/dbraw/zinc/35/03/39/729350339.db2.gz KTOLIJAPPQVVGM-LBPRGKRZSA-N 1 1 369.303 3.268 20 10 FGCDMO CC(C)(C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1)C(N)=O ZINC000824608631 729350340 /nfs/dbraw/zinc/35/03/40/729350340.db2.gz KTOLIJAPPQVVGM-LBPRGKRZSA-N 1 1 369.303 3.268 20 10 FGCDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1)C(N)=O ZINC000824608631 729350342 /nfs/dbraw/zinc/35/03/42/729350342.db2.gz KTOLIJAPPQVVGM-LBPRGKRZSA-N 1 1 369.303 3.268 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)c1O ZINC000825041052 729368683 /nfs/dbraw/zinc/36/86/83/729368683.db2.gz ZVCCFWAEVNZYHV-ZDUSSCGKSA-N 1 1 360.292 3.392 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1O ZINC000825124762 729371872 /nfs/dbraw/zinc/37/18/72/729371872.db2.gz XPBUAUSQOVMTDY-NSHDSACASA-N 1 1 366.811 3.370 20 10 FGCDMO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825710454 729392547 /nfs/dbraw/zinc/39/25/47/729392547.db2.gz QCSXPVNOCATTBB-GXFFZTMASA-N 1 1 368.193 3.290 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)c(C)n1-c1ccc(Cl)cn1 ZINC000829121720 729459231 /nfs/dbraw/zinc/45/92/31/729459231.db2.gz VXLFICIMTRDKGH-PXAZEXFGSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c(C)n1-c1ccc(Cl)cn1 ZINC000829121720 729459233 /nfs/dbraw/zinc/45/92/33/729459233.db2.gz VXLFICIMTRDKGH-PXAZEXFGSA-N 1 1 361.873 3.028 20 10 FGCDMO C[C@H]1C[C@H]([NH2+]Cc2nn(C)cc2Br)c2c1c(F)ccc2O ZINC000834884089 729842539 /nfs/dbraw/zinc/84/25/39/729842539.db2.gz JOXXHZIHOCZGCE-KWQFWETISA-N 1 1 354.223 3.365 20 10 FGCDMO Cc1nc(CN2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)CC2)cs1 ZINC000835025533 729850566 /nfs/dbraw/zinc/85/05/66/729850566.db2.gz KQMHZIOCKZXZTG-SNAWJCMRSA-N 1 1 356.539 3.349 20 10 FGCDMO Cc1nsc(N2CCC[N@@H+](Cc3c(O)cc(C)cc3Cl)CC2)n1 ZINC000840917524 730191053 /nfs/dbraw/zinc/19/10/53/730191053.db2.gz RQFSSVVCPHIFGR-UHFFFAOYSA-N 1 1 352.891 3.226 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000840936869 730194094 /nfs/dbraw/zinc/19/40/94/730194094.db2.gz NISZIRFSQZQVOW-KRWDZBQOSA-N 1 1 360.885 3.210 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000840936869 730194096 /nfs/dbraw/zinc/19/40/96/730194096.db2.gz NISZIRFSQZQVOW-KRWDZBQOSA-N 1 1 360.885 3.210 20 10 FGCDMO COc1cc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc(Cl)c1OC ZINC000841040017 730205504 /nfs/dbraw/zinc/20/55/04/730205504.db2.gz GSNKLCXKFWARBV-KRWDZBQOSA-N 1 1 363.889 3.213 20 10 FGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000841042475 730205618 /nfs/dbraw/zinc/20/56/18/730205618.db2.gz KECUOPRJBFYVCL-KRWDZBQOSA-N 1 1 353.388 3.441 20 10 FGCDMO C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccc(Cl)cc1O ZINC000841758862 730271252 /nfs/dbraw/zinc/27/12/52/730271252.db2.gz VMFMFSGALOYVCS-WBMJQRKESA-N 1 1 355.862 3.112 20 10 FGCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000847695754 731080569 /nfs/dbraw/zinc/08/05/69/731080569.db2.gz HOXTULASSRRWQM-KPZWWZAWSA-N 1 1 362.857 3.101 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000848563107 731182365 /nfs/dbraw/zinc/18/23/65/731182365.db2.gz OPHMNMQVAYZUIE-MCIONIFRSA-N 1 1 371.319 3.050 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[O-] ZINC000849349716 731251005 /nfs/dbraw/zinc/25/10/05/731251005.db2.gz FVHSWHNOKRKSMP-CYBMUJFWSA-N 1 1 353.850 3.165 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(Cl)c1 ZINC000850357693 731348069 /nfs/dbraw/zinc/34/80/69/731348069.db2.gz RVZGQVFFZFQSLC-QGZVFWFLSA-N 1 1 360.885 3.210 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(Cl)c1 ZINC000850357693 731348071 /nfs/dbraw/zinc/34/80/71/731348071.db2.gz RVZGQVFFZFQSLC-QGZVFWFLSA-N 1 1 360.885 3.210 20 10 FGCDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000852335367 731571321 /nfs/dbraw/zinc/57/13/21/731571321.db2.gz GHGJPNPINUUEBS-CABCVRRESA-N 1 1 358.404 3.234 20 10 FGCDMO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000852412966 731580967 /nfs/dbraw/zinc/58/09/67/731580967.db2.gz MNHROJKOLGSHSY-LBPRGKRZSA-N 1 1 360.285 3.371 20 10 FGCDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000852412966 731580969 /nfs/dbraw/zinc/58/09/69/731580969.db2.gz MNHROJKOLGSHSY-LBPRGKRZSA-N 1 1 360.285 3.371 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1[O-] ZINC000853093960 731664370 /nfs/dbraw/zinc/66/43/70/731664370.db2.gz VHAWSDJWJXUGPV-CYBMUJFWSA-N 1 1 353.850 3.165 20 10 FGCDMO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 ZINC000857057938 732098440 /nfs/dbraw/zinc/09/84/40/732098440.db2.gz HFJXNMRBYMWKPY-RRFGBZISSA-N 1 1 356.491 3.025 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)c1O ZINC000877774546 736718652 /nfs/dbraw/zinc/71/86/52/736718652.db2.gz MUSUTSMFHFONOY-UHFFFAOYSA-N 1 1 354.878 3.135 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)c1O ZINC000877774546 736718656 /nfs/dbraw/zinc/71/86/56/736718656.db2.gz MUSUTSMFHFONOY-UHFFFAOYSA-N 1 1 354.878 3.135 20 10 FGCDMO Oc1c(F)cc(F)cc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000883106673 737523912 /nfs/dbraw/zinc/52/39/12/737523912.db2.gz ASLPCLBARDYVHO-UHFFFAOYSA-N 1 1 360.202 3.199 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883255748 737542058 /nfs/dbraw/zinc/54/20/58/737542058.db2.gz CXTIOZUOPCCKEX-AWEZNQCLSA-N 1 1 370.287 3.220 20 10 FGCDMO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)c(O)c1OC ZINC000891611894 739920615 /nfs/dbraw/zinc/92/06/15/739920615.db2.gz XRGXNACWHLFJDH-UHFFFAOYSA-N 1 1 364.829 3.133 20 10 FGCDMO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)c(O)c1OC ZINC000891611894 739920618 /nfs/dbraw/zinc/92/06/18/739920618.db2.gz XRGXNACWHLFJDH-UHFFFAOYSA-N 1 1 364.829 3.133 20 10 FGCDMO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000895607103 742432641 /nfs/dbraw/zinc/43/26/41/742432641.db2.gz LCCDSJGZUZWAEK-SSOJOUAXSA-N 1 1 367.474 3.251 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)ccc1[N+](=O)[O-] ZINC000896535443 742563004 /nfs/dbraw/zinc/56/30/04/742563004.db2.gz MBAYQMJEGTWROU-LBPRGKRZSA-N 1 1 363.439 3.220 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)ccc1[N+](=O)[O-] ZINC000896535443 742563009 /nfs/dbraw/zinc/56/30/09/742563009.db2.gz MBAYQMJEGTWROU-LBPRGKRZSA-N 1 1 363.439 3.220 20 10 FGCDMO CCOC(=O)C1([C@H](C)[NH2+]Cc2c(O)ccc(Cl)c2F)CCOCC1 ZINC000897742499 742709513 /nfs/dbraw/zinc/70/95/13/742709513.db2.gz MYXDINSACRUHFZ-NSHDSACASA-N 1 1 359.825 3.023 20 10 FGCDMO CCOCc1cc(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)ccc1OC ZINC000898023257 742735031 /nfs/dbraw/zinc/73/50/31/742735031.db2.gz SRCCNINAWAAXJB-UHFFFAOYSA-N 1 1 357.376 3.274 20 10 FGCDMO C[C@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)c1c(O)cccc1F ZINC000903265271 743832095 /nfs/dbraw/zinc/83/20/95/743832095.db2.gz VIACXPPNIWYNKR-ZVLZOBCMSA-N 1 1 361.404 3.385 20 10 FGCDMO Cc1cc(-c2nc(C3([NH3+])CC3)no2)c(C)n1-c1ccc(Br)cn1 ZINC000905328150 744013758 /nfs/dbraw/zinc/01/37/58/744013758.db2.gz XVDJDYNHQUPAHF-UHFFFAOYSA-N 1 1 374.242 3.249 20 10 FGCDMO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000926956663 759859988 /nfs/dbraw/zinc/85/99/88/759859988.db2.gz YGEBJXYLDUTQFP-JTQLQIEISA-N 1 1 353.406 3.132 20 10 FGCDMO Oc1ccccc1C[N@@H+](Cc1nnc(-c2ccco2)o1)C[C@@H]1CCCO1 ZINC000078680593 494343175 /nfs/dbraw/zinc/34/31/75/494343175.db2.gz DNBAQHRCZZNSSE-HNNXBMFYSA-N 1 1 355.394 3.216 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1nnc(-c2ccco2)o1)C[C@@H]1CCCO1 ZINC000078680593 494343182 /nfs/dbraw/zinc/34/31/82/494343182.db2.gz DNBAQHRCZZNSSE-HNNXBMFYSA-N 1 1 355.394 3.216 20 10 FGCDMO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121329219 494704463 /nfs/dbraw/zinc/70/44/63/494704463.db2.gz SQWVCHDKCRNZOB-UHFFFAOYSA-N 1 1 356.514 3.014 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000093134492 494832610 /nfs/dbraw/zinc/83/26/10/494832610.db2.gz NKNDLSXBVWRQBH-SFHVURJKSA-N 1 1 353.514 3.450 20 10 FGCDMO COc1cccc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)c1O ZINC000093815593 494924287 /nfs/dbraw/zinc/92/42/87/494924287.db2.gz VDLKGNKPIZCPEX-HNNXBMFYSA-N 1 1 366.255 3.329 20 10 FGCDMO C[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccccc1O ZINC000111235494 495052700 /nfs/dbraw/zinc/05/27/00/495052700.db2.gz XGABUXYPBWXGEW-UHFFFAOYSA-N 1 1 356.344 3.008 20 10 FGCDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(OC)c(OC)cc1O ZINC000160128515 495891419 /nfs/dbraw/zinc/89/14/19/495891419.db2.gz HQEDEXYMICZPAL-UHFFFAOYSA-N 1 1 372.465 3.133 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(N3CCCCC3)c2)c1 ZINC000273375793 496787359 /nfs/dbraw/zinc/78/73/59/496787359.db2.gz HDQDNWFSDCKDBU-HNNXBMFYSA-N 1 1 369.465 3.415 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)c1 ZINC000273624170 496855724 /nfs/dbraw/zinc/85/57/24/496855724.db2.gz ZZAXZCQKRSUUDF-ZDUSSCGKSA-N 1 1 356.422 3.031 20 10 FGCDMO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+](C)Cc1ccccc1O ZINC000264753258 496977539 /nfs/dbraw/zinc/97/75/39/496977539.db2.gz WXMOOTWUGFITIQ-HNNXBMFYSA-N 1 1 351.450 3.053 20 10 FGCDMO CCOC(=O)c1ccc(C[NH2+]Cc2cccc(Br)c2O)o1 ZINC000278292464 497064534 /nfs/dbraw/zinc/06/45/34/497064534.db2.gz CSOVOYOTWMYPPQ-UHFFFAOYSA-N 1 1 354.200 3.214 20 10 FGCDMO COC[C@H](C)OC[C@@H](O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000278430994 497112016 /nfs/dbraw/zinc/11/20/16/497112016.db2.gz UWQVSBCALNSACF-WFXMLNOXSA-N 1 1 373.493 3.368 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1[N+](=O)[O-] ZINC000278857149 497245189 /nfs/dbraw/zinc/24/51/89/497245189.db2.gz LNYQSRGYSHXQTP-NSHDSACASA-N 1 1 371.393 3.045 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000271754749 497439223 /nfs/dbraw/zinc/43/92/23/497439223.db2.gz CPBOMBPOULOZPQ-CZUORRHYSA-N 1 1 350.459 3.136 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1O ZINC000267298850 497519384 /nfs/dbraw/zinc/51/93/84/497519384.db2.gz FFYCUUUYXPLCGF-VQIMIIECSA-N 1 1 353.466 3.102 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1O ZINC000245749818 497528255 /nfs/dbraw/zinc/52/82/55/497528255.db2.gz NNFINZFPVUGZKE-SMDDNHRTSA-N 1 1 356.260 3.164 20 10 FGCDMO COCC[N@@H+](Cc1cccnc1)Cc1cc(Br)ccc1O ZINC000289468967 498157269 /nfs/dbraw/zinc/15/72/69/498157269.db2.gz PENDEBBBPPJVHR-UHFFFAOYSA-N 1 1 351.244 3.198 20 10 FGCDMO CC[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(F)cc1O ZINC000286207702 498324711 /nfs/dbraw/zinc/32/47/11/498324711.db2.gz RXAYTPAJVFCWCC-LJQANCHMSA-N 1 1 372.440 3.245 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289857889 498325263 /nfs/dbraw/zinc/32/52/63/498325263.db2.gz VIEPGHQXWQQLCP-JQWIXIFHSA-N 1 1 353.768 3.047 20 10 FGCDMO Cc1cc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c(C)n1-c1ccccn1 ZINC000361364595 498380226 /nfs/dbraw/zinc/38/02/26/498380226.db2.gz BUAKSULRNIBAMS-SXLOBPIMSA-N 1 1 364.493 3.045 20 10 FGCDMO C[C@@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)N1CCN(C)CC1 ZINC000293887376 498523625 /nfs/dbraw/zinc/52/36/25/498523625.db2.gz VTQDSUBLZDRMSD-SIKLNZKXSA-N 1 1 367.537 3.292 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)ccc21 ZINC000362948715 498587640 /nfs/dbraw/zinc/58/76/40/498587640.db2.gz UVOBZUXIPUQENX-IBGZPJMESA-N 1 1 369.509 3.215 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)ccc21 ZINC000362957902 498589445 /nfs/dbraw/zinc/58/94/45/498589445.db2.gz KWMBCUNEXGOIRR-MOPGFXCFSA-N 1 1 369.509 3.261 20 10 FGCDMO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294571798 498733678 /nfs/dbraw/zinc/73/36/78/498733678.db2.gz GKWRFNJWXKDKRX-HOCLYGCPSA-N 1 1 353.825 3.411 20 10 FGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCSCC1 ZINC000363709673 498953795 /nfs/dbraw/zinc/95/37/95/498953795.db2.gz MOGHRMMEKQGFDT-MRXNPFEDSA-N 1 1 368.930 3.269 20 10 FGCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCSCC1 ZINC000363709672 498954218 /nfs/dbraw/zinc/95/42/18/498954218.db2.gz MOGHRMMEKQGFDT-INIZCTEOSA-N 1 1 368.930 3.269 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(Br)cc(F)c1[O-] ZINC000366732095 499052759 /nfs/dbraw/zinc/05/27/59/499052759.db2.gz WBZGVFMCSCSBIY-MNOVXSKESA-N 1 1 368.250 3.404 20 10 FGCDMO C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(Br)cc(F)c1[O-] ZINC000366732094 499053075 /nfs/dbraw/zinc/05/30/75/499053075.db2.gz WBZGVFMCSCSBIY-GHMZBOCLSA-N 1 1 368.250 3.404 20 10 FGCDMO Cc1cc(O)c(C[N@@H+]2CCCN(Cc3ncc(Cl)n3C)CC2)cc1C ZINC000371415169 499323485 /nfs/dbraw/zinc/32/34/85/499323485.db2.gz OQCVGUWFUKTTHS-UHFFFAOYSA-N 1 1 362.905 3.104 20 10 FGCDMO COC(=O)c1ccnc(N2CCC([NH2+][C@H](C)c3ccc(F)cc3O)CC2)c1 ZINC000371864445 499373032 /nfs/dbraw/zinc/37/30/32/499373032.db2.gz LNCUCSVZAHGALZ-CYBMUJFWSA-N 1 1 373.428 3.033 20 10 FGCDMO CC[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(Br)ccc1[O-] ZINC000372344511 499423195 /nfs/dbraw/zinc/42/31/95/499423195.db2.gz GCRSTHOVNYTPCE-GXTWGEPZSA-N 1 1 350.260 3.476 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1O ZINC000372398633 499428879 /nfs/dbraw/zinc/42/88/79/499428879.db2.gz RHYKGISQSYENPQ-UHFFFAOYSA-N 1 1 360.498 3.406 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc1OC ZINC000377706094 499723203 /nfs/dbraw/zinc/72/32/03/499723203.db2.gz UMVFGTLLWWORLY-MSOLQXFVSA-N 1 1 357.450 3.007 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000425161635 500033888 /nfs/dbraw/zinc/03/38/88/500033888.db2.gz UGFYHUYGHSDZIL-BJWYYQGGSA-N 1 1 351.494 3.323 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@]2(C)CCCOC2)C1 ZINC000444338328 500836394 /nfs/dbraw/zinc/83/63/94/500836394.db2.gz FMSYDKSVDYWBIE-QFIPXVFZSA-N 1 1 369.509 3.093 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCOCC2)C1 ZINC000436028049 501059126 /nfs/dbraw/zinc/05/91/26/501059126.db2.gz TUUAVAHQBZTCFG-QGZVFWFLSA-N 1 1 369.509 3.093 20 10 FGCDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000486106916 502047911 /nfs/dbraw/zinc/04/79/11/502047911.db2.gz PNRMAUBBEQQRBQ-GOSISDBHSA-N 1 1 371.525 3.366 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000471585360 502074825 /nfs/dbraw/zinc/07/48/25/502074825.db2.gz KNASGVZEDYNODD-JKSUJKDBSA-N 1 1 356.514 3.406 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)ccc21 ZINC000467030158 502763748 /nfs/dbraw/zinc/76/37/48/502763748.db2.gz DFGFQUNFQVCQMN-JLTOFOAXSA-N 1 1 369.509 3.117 20 10 FGCDMO COCC(C)(C)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000517192627 503667428 /nfs/dbraw/zinc/66/74/28/503667428.db2.gz PZMWOAQZBHMFRI-UHFFFAOYSA-N 1 1 371.525 3.197 20 10 FGCDMO COCC(C)(C)N(C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000561647251 505398718 /nfs/dbraw/zinc/39/87/18/505398718.db2.gz RKTRXEJXHPYQFS-UHFFFAOYSA-N 1 1 371.525 3.291 20 10 FGCDMO C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927697 604764134 /nfs/dbraw/zinc/76/41/34/604764134.db2.gz BNIQBXMZLBNFDT-DNVCBOLYSA-N 1 1 354.450 3.160 20 10 FGCDMO C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927697 604764139 /nfs/dbraw/zinc/76/41/39/604764139.db2.gz BNIQBXMZLBNFDT-DNVCBOLYSA-N 1 1 354.450 3.160 20 10 FGCDMO C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927697 604764140 /nfs/dbraw/zinc/76/41/40/604764140.db2.gz BNIQBXMZLBNFDT-DNVCBOLYSA-N 1 1 354.450 3.160 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](Cc2cc(-c3nn[nH]n3)cs2)C2CC2)cc1 ZINC000825878696 608520823 /nfs/dbraw/zinc/52/08/23/608520823.db2.gz BMLXCWTZPBAOBX-UHFFFAOYSA-N 1 1 354.483 3.159 20 10 FGCDMO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(OCC)cc1O ZINC000825318990 608547467 /nfs/dbraw/zinc/54/74/67/608547467.db2.gz VOCFQJOYEYAJLZ-UHFFFAOYSA-N 1 1 367.453 3.383 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000069386412 695949434 /nfs/dbraw/zinc/94/94/34/695949434.db2.gz LKSYTMMGYYWUNQ-IBGZPJMESA-N 1 1 356.491 3.141 20 10 FGCDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccccc1O ZINC000109773329 700536392 /nfs/dbraw/zinc/53/63/92/700536392.db2.gz NQTMIKGKBYDZFV-LLVKDONJSA-N 1 1 363.801 3.413 20 10 FGCDMO C[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[NH+]1CCSCC1 ZINC000130784383 700806321 /nfs/dbraw/zinc/80/63/21/700806321.db2.gz FYVBEJXWDNXJGD-KRWDZBQOSA-N 1 1 361.555 3.073 20 10 FGCDMO Cc1ccc(O)c(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000136964554 704866453 /nfs/dbraw/zinc/86/64/53/704866453.db2.gz KGQNOOPPOARBSB-INIZCTEOSA-N 1 1 363.255 3.122 20 10 FGCDMO Cc1ccc(O)c(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000136964554 704866459 /nfs/dbraw/zinc/86/64/59/704866459.db2.gz KGQNOOPPOARBSB-INIZCTEOSA-N 1 1 363.255 3.122 20 10 FGCDMO CS(=O)(=O)CC[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C1CC1 ZINC000157103157 705143900 /nfs/dbraw/zinc/14/39/00/705143900.db2.gz IEVHAYWXJGVDRV-UHFFFAOYSA-N 1 1 363.479 3.026 20 10 FGCDMO CS(=O)(=O)CC[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C1CC1 ZINC000157103157 705143903 /nfs/dbraw/zinc/14/39/03/705143903.db2.gz IEVHAYWXJGVDRV-UHFFFAOYSA-N 1 1 363.479 3.026 20 10 FGCDMO CC[N@@H+](CC(=O)NC1CCCC1)Cc1cc(Br)ccc1O ZINC000174425036 705503929 /nfs/dbraw/zinc/50/39/29/705503929.db2.gz PSTJNWKANRAQTH-UHFFFAOYSA-N 1 1 355.276 3.035 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000179883067 705719760 /nfs/dbraw/zinc/71/97/60/705719760.db2.gz CJGULJDAEMFEMW-OAHLLOKOSA-N 1 1 350.459 3.280 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109266 712684456 /nfs/dbraw/zinc/68/44/56/712684456.db2.gz CSOWNXPZUSAFJO-OLZOCXBDSA-N 1 1 366.458 3.193 20 10 FGCDMO CN(c1ccc(CNC(=O)c2csc(C[NH3+])n2)cc1)C1CCCCC1 ZINC000237055655 713587381 /nfs/dbraw/zinc/58/73/81/713587381.db2.gz IRJHUPIJYYZTPU-UHFFFAOYSA-N 1 1 358.511 3.301 20 10 FGCDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000769381130 723683805 /nfs/dbraw/zinc/68/38/05/723683805.db2.gz MAEBLNFXDZFGFK-CMPLNLGQSA-N 1 1 354.166 3.042 20 10 FGCDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCCS1 ZINC000783587122 724768520 /nfs/dbraw/zinc/76/85/20/724768520.db2.gz BFXSFIHTHFNTDR-NVXWUHKLSA-N 1 1 368.930 3.412 20 10 FGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCCS1 ZINC000783587122 724768524 /nfs/dbraw/zinc/76/85/24/724768524.db2.gz BFXSFIHTHFNTDR-NVXWUHKLSA-N 1 1 368.930 3.412 20 10 FGCDMO O=C(C[NH2+]Cc1cccc(Br)c1O)Nc1ccc(F)c(F)c1 ZINC000725841449 722424576 /nfs/dbraw/zinc/42/45/76/722424576.db2.gz DXHDVJNBMCGRFY-UHFFFAOYSA-N 1 1 371.181 3.161 20 10 FGCDMO CCC[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1O ZINC000727830909 722447872 /nfs/dbraw/zinc/44/78/72/722447872.db2.gz VDPCPAHUTVAJAY-HNNXBMFYSA-N 1 1 358.404 3.405 20 10 FGCDMO O=[S@@](CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000732203214 722482330 /nfs/dbraw/zinc/48/23/30/722482330.db2.gz PZPBUWBOCDPSGS-CJAUYULYSA-N 1 1 359.491 3.181 20 10 FGCDMO C[N@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000740866797 722538741 /nfs/dbraw/zinc/53/87/41/722538741.db2.gz HHLCRNMVPATDSG-ZDUSSCGKSA-N 1 1 359.447 3.158 20 10 FGCDMO CCSCC[C@@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749366965 722726226 /nfs/dbraw/zinc/72/62/26/722726226.db2.gz XRXACWHSUIDIQJ-MRXNPFEDSA-N 1 1 351.560 3.175 20 10 FGCDMO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(C(C)=O)c1O)CC2 ZINC000750047478 722752883 /nfs/dbraw/zinc/75/28/83/722752883.db2.gz QVXUFCUUJIHLAZ-OAHLLOKOSA-N 1 1 351.830 3.023 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)c(F)cc1O ZINC000756736159 722969261 /nfs/dbraw/zinc/96/92/61/722969261.db2.gz LCTPFBMZJRVACS-VHSXEESVSA-N 1 1 373.266 3.344 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000756778642 722969887 /nfs/dbraw/zinc/96/98/87/722969887.db2.gz OFWORULKWQUQOI-UXVLEFJLSA-N 1 1 353.509 3.209 20 10 FGCDMO COCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[C@H](C)C1 ZINC000792193464 723320283 /nfs/dbraw/zinc/32/02/83/723320283.db2.gz WUQMMHPAJMHFEV-FUHWJXTLSA-N 1 1 350.478 3.299 20 10 FGCDMO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792832974 723372911 /nfs/dbraw/zinc/37/29/11/723372911.db2.gz OGUUDGMQUPABME-UHFFFAOYSA-N 1 1 366.449 3.026 20 10 FGCDMO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792832974 723372915 /nfs/dbraw/zinc/37/29/15/723372915.db2.gz OGUUDGMQUPABME-UHFFFAOYSA-N 1 1 366.449 3.026 20 10 FGCDMO CC[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(F)cc1O ZINC000796770632 723654223 /nfs/dbraw/zinc/65/42/23/723654223.db2.gz FKKDSCQVLDHSIR-LBPRGKRZSA-N 1 1 358.339 3.493 20 10 FGCDMO C[C@@H]1CN=C(N2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)S1 ZINC000769488872 723687184 /nfs/dbraw/zinc/68/71/84/723687184.db2.gz SEBLGCRJQLUTBL-QGZVFWFLSA-N 1 1 358.555 3.286 20 10 FGCDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000769548192 723689517 /nfs/dbraw/zinc/68/95/17/723689517.db2.gz HVTCYFDJRDCCFR-QUCCMNQESA-N 1 1 350.478 3.298 20 10 FGCDMO CC(C)CO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771060782 723726967 /nfs/dbraw/zinc/72/69/67/723726967.db2.gz YVCMMNUSCCRTAN-YOEHRIQHSA-N 1 1 368.905 3.187 20 10 FGCDMO CCc1nsc(N2CCC[N@H+](Cc3ccc(N(C)CC)cc3)CC2)n1 ZINC000773757406 723820692 /nfs/dbraw/zinc/82/06/92/723820692.db2.gz YZOQDTFEIIOWDI-UHFFFAOYSA-N 1 1 359.543 3.269 20 10 FGCDMO C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cccc(C(F)(F)F)c1O ZINC000798182088 723911176 /nfs/dbraw/zinc/91/11/76/723911176.db2.gz QCZPNQKASYDKHJ-LLVKDONJSA-N 1 1 352.356 3.403 20 10 FGCDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCC2 ZINC000774910412 723941491 /nfs/dbraw/zinc/94/14/91/723941491.db2.gz ABZDWNMKZLCJEX-HUUCEWRRSA-N 1 1 350.415 3.089 20 10 FGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCC2 ZINC000774910412 723941492 /nfs/dbraw/zinc/94/14/92/723941492.db2.gz ABZDWNMKZLCJEX-HUUCEWRRSA-N 1 1 350.415 3.089 20 10 FGCDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCC2 ZINC000774910415 723941500 /nfs/dbraw/zinc/94/15/00/723941500.db2.gz ABZDWNMKZLCJEX-LSDHHAIUSA-N 1 1 350.415 3.089 20 10 FGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCC2 ZINC000774910415 723941504 /nfs/dbraw/zinc/94/15/04/723941504.db2.gz ABZDWNMKZLCJEX-LSDHHAIUSA-N 1 1 350.415 3.089 20 10 FGCDMO COc1c(O)c(C[NH2+]CCCOc2ccccc2F)ccc1[N+](=O)[O-] ZINC000774953446 723945126 /nfs/dbraw/zinc/94/51/26/723945126.db2.gz IVXVPTFWCBAZRW-UHFFFAOYSA-N 1 1 350.346 3.007 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000775014710 723951877 /nfs/dbraw/zinc/95/18/77/723951877.db2.gz ALCMDHBUYYZSET-DYVFJYSZSA-N 1 1 352.431 3.240 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)ccc1[N+](=O)[O-] ZINC000775115191 723962320 /nfs/dbraw/zinc/96/23/20/723962320.db2.gz HRUFEGQFEIAKPP-AWEZNQCLSA-N 1 1 350.415 3.281 20 10 FGCDMO C[C@@H](Nc1cc[nH+]cc1Br)c1ccc(N2CCOCC2)cc1 ZINC000775457881 723992787 /nfs/dbraw/zinc/99/27/87/723992787.db2.gz MNFVFRKTBRRQQD-CYBMUJFWSA-N 1 1 362.271 3.276 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000784680363 724872226 /nfs/dbraw/zinc/87/22/26/724872226.db2.gz PENSAIQVUMHTJA-OAHLLOKOSA-N 1 1 350.256 3.238 20 10 FGCDMO COC[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)[C@@H]1CCCO1 ZINC000788619509 725076496 /nfs/dbraw/zinc/07/64/96/725076496.db2.gz OUDNTKQDOYLDBX-FGEZKYSXSA-N 1 1 362.239 3.138 20 10 FGCDMO C[C@@](CO)([NH2+]Cc1cccc(F)c1O)c1ccc(Br)cc1 ZINC000809695177 725259377 /nfs/dbraw/zinc/25/93/77/725259377.db2.gz CCNLQMFMBDIADW-INIZCTEOSA-N 1 1 354.219 3.291 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)CC)c(O)c1 ZINC000809722597 725262569 /nfs/dbraw/zinc/26/25/69/725262569.db2.gz CWMPMJKLVYDNDA-MRXNPFEDSA-N 1 1 350.459 3.234 20 10 FGCDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809772276 725267496 /nfs/dbraw/zinc/26/74/96/725267496.db2.gz SMNVIIWGOPEYKO-BBRMVZONSA-N 1 1 351.466 3.379 20 10 FGCDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000811972738 725386335 /nfs/dbraw/zinc/38/63/35/725386335.db2.gz RWQUHZKTRRUXKF-GFCCVEGCSA-N 1 1 372.307 3.074 20 10 FGCDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000811976468 725386363 /nfs/dbraw/zinc/38/63/63/725386363.db2.gz CFLLWNQFGCOIEA-LBPRGKRZSA-N 1 1 372.307 3.074 20 10 FGCDMO C[C@H]1CN(c2ccc(C[NH2+]Cc3cnn(C)c3Cl)cc2F)C[C@H](C)O1 ZINC000815114646 727040061 /nfs/dbraw/zinc/04/00/61/727040061.db2.gz AUNUJGFZXDAXOQ-STQMWFEESA-N 1 1 366.868 3.116 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000815594504 727085646 /nfs/dbraw/zinc/08/56/46/727085646.db2.gz QLXIYYQJPWINIG-QJPTWQEYSA-N 1 1 365.417 3.417 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000816646097 727184852 /nfs/dbraw/zinc/18/48/52/727184852.db2.gz WRBJAXDCKVEWEY-UHFFFAOYSA-N 1 1 356.260 3.192 20 10 FGCDMO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817890461 727287106 /nfs/dbraw/zinc/28/71/06/727287106.db2.gz YGZLMQDRDIYJLE-DYESRHJHSA-N 1 1 355.551 3.288 20 10 FGCDMO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(N2CCSCC2)cc1 ZINC000817890461 727287109 /nfs/dbraw/zinc/28/71/09/727287109.db2.gz YGZLMQDRDIYJLE-DYESRHJHSA-N 1 1 355.551 3.288 20 10 FGCDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823404089 729276604 /nfs/dbraw/zinc/27/66/04/729276604.db2.gz LNLCGLMERSORKP-DOTOQJQBSA-N 1 1 357.523 3.470 20 10 FGCDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823404090 729276628 /nfs/dbraw/zinc/27/66/28/729276628.db2.gz LNLCGLMERSORKP-NVXWUHKLSA-N 1 1 357.523 3.470 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000823465587 729283148 /nfs/dbraw/zinc/28/31/48/729283148.db2.gz ZTTBMSPETOGBHQ-QGZVFWFLSA-N 1 1 357.479 3.021 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000823465587 729283151 /nfs/dbraw/zinc/28/31/51/729283151.db2.gz ZTTBMSPETOGBHQ-QGZVFWFLSA-N 1 1 357.479 3.021 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000823465586 729283254 /nfs/dbraw/zinc/28/32/54/729283254.db2.gz ZTTBMSPETOGBHQ-KRWDZBQOSA-N 1 1 357.479 3.021 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000823465586 729283256 /nfs/dbraw/zinc/28/32/56/729283256.db2.gz ZTTBMSPETOGBHQ-KRWDZBQOSA-N 1 1 357.479 3.021 20 10 FGCDMO OC1CCN(c2ccc(C[NH2+]Cc3ccnc(Cl)c3F)cc2F)CC1 ZINC000823701466 729299783 /nfs/dbraw/zinc/29/97/83/729299783.db2.gz BDDUXUZUJBFWEL-UHFFFAOYSA-N 1 1 367.827 3.264 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cc1 ZINC000824339031 729331542 /nfs/dbraw/zinc/33/15/42/729331542.db2.gz MERDIWOOZJEHSK-HXUWFJFHSA-N 1 1 358.507 3.376 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCOC[C@]23CCOC3)cc1 ZINC000824339031 729331545 /nfs/dbraw/zinc/33/15/45/729331545.db2.gz MERDIWOOZJEHSK-HXUWFJFHSA-N 1 1 358.507 3.376 20 10 FGCDMO COc1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000825773580 729394739 /nfs/dbraw/zinc/39/47/39/729394739.db2.gz KNJNFXYXBPEVJZ-INIZCTEOSA-N 1 1 369.527 3.097 20 10 FGCDMO COc1cc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000826096789 729405087 /nfs/dbraw/zinc/40/50/87/729405087.db2.gz DDPHCQKDAQCFAP-MEDUHNTESA-N 1 1 361.404 3.443 20 10 FGCDMO O[C@]12C[C@H]1C[N@H+](Cc1ccc(N3CCCCC3)c(Br)c1)CC2 ZINC000827290251 729428157 /nfs/dbraw/zinc/42/81/57/729428157.db2.gz FGTLZBREXODGCZ-MAUKXSAKSA-N 1 1 365.315 3.396 20 10 FGCDMO O[C@]12C[C@H]1C[N@@H+](Cc1ccc(N3CCCCC3)c(Br)c1)CC2 ZINC000827290251 729428158 /nfs/dbraw/zinc/42/81/58/729428158.db2.gz FGTLZBREXODGCZ-MAUKXSAKSA-N 1 1 365.315 3.396 20 10 FGCDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3c(O)cccc3OC)C2)s1 ZINC000827941820 729437576 /nfs/dbraw/zinc/43/75/76/729437576.db2.gz ISBMLAJMOIGYHA-GFCCVEGCSA-N 1 1 362.451 3.024 20 10 FGCDMO C[C@H]1C[C@@H]([NH2+]Cc2nn(C)cc2Br)c2c1c(F)ccc2O ZINC000834884087 729842373 /nfs/dbraw/zinc/84/23/73/729842373.db2.gz JOXXHZIHOCZGCE-GZMMTYOYSA-N 1 1 354.223 3.365 20 10 FGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000841042477 730205829 /nfs/dbraw/zinc/20/58/29/730205829.db2.gz KECUOPRJBFYVCL-QGZVFWFLSA-N 1 1 353.388 3.441 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2NCCc3ccccc32)c1 ZINC000841067339 730207564 /nfs/dbraw/zinc/20/75/64/730207564.db2.gz AZGMHCQKMWMXPX-QGZVFWFLSA-N 1 1 361.283 3.440 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2NCCc3ccccc32)c1 ZINC000841067338 730207617 /nfs/dbraw/zinc/20/76/17/730207617.db2.gz AZGMHCQKMWMXPX-KRWDZBQOSA-N 1 1 361.283 3.440 20 10 FGCDMO Cc1cc(Br)cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1O ZINC000841087147 730209092 /nfs/dbraw/zinc/20/90/92/730209092.db2.gz NFKQOUOOBHODND-BBRMVZONSA-N 1 1 353.304 3.427 20 10 FGCDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000842644735 730523959 /nfs/dbraw/zinc/52/39/59/730523959.db2.gz UNVDAINHQOFLRW-KRWDZBQOSA-N 1 1 358.404 3.324 20 10 FGCDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1cccc(Br)c1O ZINC000843865976 730661740 /nfs/dbraw/zinc/66/17/40/730661740.db2.gz BHFURIWQPIEESL-LLVKDONJSA-N 1 1 366.259 3.181 20 10 FGCDMO COc1ccc(N(C)CC[N@H+](C)CC(=O)N[C@H](C)c2cccs2)cc1 ZINC000844398877 730713126 /nfs/dbraw/zinc/71/31/26/730713126.db2.gz DIRFKERLLQPWBY-OAHLLOKOSA-N 1 1 361.511 3.002 20 10 FGCDMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)N[C@H](C)c2cccs2)cc1 ZINC000844398877 730713127 /nfs/dbraw/zinc/71/31/27/730713127.db2.gz DIRFKERLLQPWBY-OAHLLOKOSA-N 1 1 361.511 3.002 20 10 FGCDMO COc1ccc(Cl)c(N2CC[NH+](Cc3cccc(OC)c3O)CC2)c1 ZINC000845995228 730916708 /nfs/dbraw/zinc/91/67/08/730916708.db2.gz APGWRYSFDVEIQN-UHFFFAOYSA-N 1 1 362.857 3.385 20 10 FGCDMO Cc1ccc(N2CCC(C(=O)NCc3cc(Cl)ccc3O)CC2)[nH+]c1 ZINC000846472357 730958195 /nfs/dbraw/zinc/95/81/95/730958195.db2.gz IQVMGVBLDREWPZ-UHFFFAOYSA-N 1 1 359.857 3.282 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000848519346 731174079 /nfs/dbraw/zinc/17/40/79/731174079.db2.gz RKMXCCCYIPXADO-FPMFFAJLSA-N 1 1 369.303 3.441 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000848519346 731174084 /nfs/dbraw/zinc/17/40/84/731174084.db2.gz RKMXCCCYIPXADO-FPMFFAJLSA-N 1 1 369.303 3.441 20 10 FGCDMO Fc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(F)c1F ZINC000850033999 731311674 /nfs/dbraw/zinc/31/16/74/731311674.db2.gz FTHCTAHLONBEAK-UHFFFAOYSA-N 1 1 354.347 3.369 20 10 FGCDMO CCCOCCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000859008052 732267988 /nfs/dbraw/zinc/26/79/88/732267988.db2.gz QFWNBHMRGAAMLD-INIZCTEOSA-N 1 1 370.877 3.163 20 10 FGCDMO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)cc(C(C)=O)c1O ZINC000859530074 732344913 /nfs/dbraw/zinc/34/49/13/732344913.db2.gz FYDPIFQMHHGZAN-UHFFFAOYSA-N 1 1 354.422 3.081 20 10 FGCDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)cc(C(C)=O)c1O ZINC000859530074 732344914 /nfs/dbraw/zinc/34/49/14/732344914.db2.gz FYDPIFQMHHGZAN-UHFFFAOYSA-N 1 1 354.422 3.081 20 10 FGCDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862229702 732790500 /nfs/dbraw/zinc/79/05/00/732790500.db2.gz JKTORTUMZOYOLR-LBPRGKRZSA-N 1 1 350.260 3.268 20 10 FGCDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862237950 732794417 /nfs/dbraw/zinc/79/44/17/732794417.db2.gz ZEAYIPBLSIENRZ-AWEZNQCLSA-N 1 1 353.457 3.159 20 10 FGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862237950 732794422 /nfs/dbraw/zinc/79/44/22/732794422.db2.gz ZEAYIPBLSIENRZ-AWEZNQCLSA-N 1 1 353.457 3.159 20 10 FGCDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862394891 732824077 /nfs/dbraw/zinc/82/40/77/732824077.db2.gz SHRXAAKJMQVMII-ZDUSSCGKSA-N 1 1 367.287 3.132 20 10 FGCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1c1ccc(O)cc1 ZINC000862497446 732841881 /nfs/dbraw/zinc/84/18/81/732841881.db2.gz VJOCSCZYFUZZKZ-LSDHHAIUSA-N 1 1 361.825 3.140 20 10 FGCDMO COc1cc(C)cc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000893919910 742213309 /nfs/dbraw/zinc/21/33/09/742213309.db2.gz MCZSCVQTVAWPCD-CQSZACIVSA-N 1 1 363.479 3.306 20 10 FGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000893919910 742213312 /nfs/dbraw/zinc/21/33/12/742213312.db2.gz MCZSCVQTVAWPCD-CQSZACIVSA-N 1 1 363.479 3.306 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897616657 742695996 /nfs/dbraw/zinc/69/59/96/742695996.db2.gz VTBRIZWFDYZHAQ-LLVKDONJSA-N 1 1 353.344 3.199 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1cc(Br)c(F)cc1O ZINC000903391455 743844311 /nfs/dbraw/zinc/84/43/11/743844311.db2.gz YPOQUYASIUKJDQ-BONVTDFDSA-N 1 1 374.250 3.283 20 10 FGCDMO Brc1c[nH]c(C[NH2+]Cc2ccc(N3CCSCC3)cc2)n1 ZINC000921552188 758742212 /nfs/dbraw/zinc/74/22/12/758742212.db2.gz TWHXNUIAPZIFHV-UHFFFAOYSA-N 1 1 367.316 3.015 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)CCC1(O)CCC1 ZINC000929755429 760450230 /nfs/dbraw/zinc/45/02/30/760450230.db2.gz OFFXUJHFWLLNIA-OAHLLOKOSA-N 1 1 372.303 3.033 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000121304196 494691315 /nfs/dbraw/zinc/69/13/15/494691315.db2.gz XBXUNWMXELSNGS-UHFFFAOYSA-N 1 1 366.509 3.150 20 10 FGCDMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000091958273 494735395 /nfs/dbraw/zinc/73/53/95/494735395.db2.gz UPJGRWATDWYCHT-UXHICEINSA-N 1 1 356.466 3.204 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1O ZINC000093740594 494916594 /nfs/dbraw/zinc/91/65/94/494916594.db2.gz VLTXMVKQZQAKGY-UHFFFAOYSA-N 1 1 368.433 3.306 20 10 FGCDMO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000185476102 495592071 /nfs/dbraw/zinc/59/20/71/495592071.db2.gz BZWWOMRJMNOOGV-GFCCVEGCSA-N 1 1 354.385 3.165 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000179657145 495680226 /nfs/dbraw/zinc/68/02/26/495680226.db2.gz QZNYBZHUEWWNTR-HNNXBMFYSA-N 1 1 356.470 3.098 20 10 FGCDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)cc(C(C)=O)c1O)CC2 ZINC000177290527 496007871 /nfs/dbraw/zinc/00/78/71/496007871.db2.gz XPMKZJRRGOHQEY-IAGOWNOFSA-N 1 1 367.873 3.000 20 10 FGCDMO Cc1csc(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)n1 ZINC000156723602 496319650 /nfs/dbraw/zinc/31/96/50/496319650.db2.gz YGWHJZXMZCMSLI-UHFFFAOYSA-N 1 1 372.538 3.013 20 10 FGCDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CCN1C ZINC000163393127 496508859 /nfs/dbraw/zinc/50/88/59/496508859.db2.gz JEYQGULNQZNRRK-GDBMZVCRSA-N 1 1 371.447 3.114 20 10 FGCDMO C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@@H+]1C ZINC000163393127 496508866 /nfs/dbraw/zinc/50/88/66/496508866.db2.gz JEYQGULNQZNRRK-GDBMZVCRSA-N 1 1 371.447 3.114 20 10 FGCDMO C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@H+]1C ZINC000163393127 496508869 /nfs/dbraw/zinc/50/88/69/496508869.db2.gz JEYQGULNQZNRRK-GDBMZVCRSA-N 1 1 371.447 3.114 20 10 FGCDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCN(C)CC2)cc1 ZINC000158449887 496704800 /nfs/dbraw/zinc/70/48/00/496704800.db2.gz GZPNQYAJPDVNLC-SFHVURJKSA-N 1 1 367.541 3.140 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000278504226 497137433 /nfs/dbraw/zinc/13/74/33/497137433.db2.gz OOJIHXXXXUUUFZ-APPDUMDISA-N 1 1 364.373 3.314 20 10 FGCDMO COc1c(O)c(C[NH2+]Cc2ccccc2OCC2CC2)ccc1[N+](=O)[O-] ZINC000278514868 497139752 /nfs/dbraw/zinc/13/97/52/497139752.db2.gz QNIWOBGOOZCFAV-UHFFFAOYSA-N 1 1 358.394 3.388 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000278573492 497155728 /nfs/dbraw/zinc/15/57/28/497155728.db2.gz DBCVXCDIDNMLLD-LLVKDONJSA-N 1 1 359.382 3.118 20 10 FGCDMO COc1c(O)c(C[NH2+]Cc2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000278865902 497247640 /nfs/dbraw/zinc/24/76/40/497247640.db2.gz MJWKHGSYEACJKP-UHFFFAOYSA-N 1 1 354.309 3.200 20 10 FGCDMO O=C1OCC[C@]12CCC[N@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000190031138 497332187 /nfs/dbraw/zinc/33/21/87/497332187.db2.gz NWSKHJDZMZZEHN-OAQYLSRUSA-N 1 1 353.418 3.253 20 10 FGCDMO O=C1OCC[C@]12CCC[N@@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000190031138 497332191 /nfs/dbraw/zinc/33/21/91/497332191.db2.gz NWSKHJDZMZZEHN-OAQYLSRUSA-N 1 1 353.418 3.253 20 10 FGCDMO CN(C)c1ccc(C[NH2+][C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000193434722 497379494 /nfs/dbraw/zinc/37/94/94/497379494.db2.gz KXWWJHGBFNVEGU-GOSISDBHSA-N 1 1 365.399 3.262 20 10 FGCDMO Cc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H](C)S(C)(=O)=O)cc1 ZINC000280801293 497902925 /nfs/dbraw/zinc/90/29/25/497902925.db2.gz SHNWREKJZVZZLQ-YWZLYKJASA-N 1 1 359.491 3.194 20 10 FGCDMO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000364842469 498168828 /nfs/dbraw/zinc/16/88/28/498168828.db2.gz GBOAGUANDLFWPW-UHFFFAOYSA-N 1 1 350.825 3.102 20 10 FGCDMO CC[C@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1ccc(F)cc1O ZINC000286200446 498322059 /nfs/dbraw/zinc/32/20/59/498322059.db2.gz RPYOSIDJFNGIDC-HKUYNNGSSA-N 1 1 369.440 3.411 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+](C)[C@H](CO)c3ccccc3)cc2)CC1 ZINC000297138446 498330108 /nfs/dbraw/zinc/33/01/08/498330108.db2.gz NKRBXRQCAYISHN-JOCHJYFZSA-N 1 1 354.494 3.467 20 10 FGCDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293779606 498487148 /nfs/dbraw/zinc/48/71/48/498487148.db2.gz QBKWYCZZYGFGTB-KNQAVFIVSA-N 1 1 367.537 3.292 20 10 FGCDMO COc1ccccc1C1CC([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000365804603 498648740 /nfs/dbraw/zinc/64/87/40/498648740.db2.gz GLKBQQCLGWJJGF-UHFFFAOYSA-N 1 1 358.394 3.353 20 10 FGCDMO COCCCOc1ccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)cc1 ZINC000287537386 498790711 /nfs/dbraw/zinc/79/07/11/498790711.db2.gz PEDNYJQTIUNVJA-OAHLLOKOSA-N 1 1 373.449 3.445 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](C4(C)OCCO4)C3)cc2)CC1 ZINC000294865267 498831642 /nfs/dbraw/zinc/83/16/42/498831642.db2.gz AOVOUGRMSYGUHJ-IBGZPJMESA-N 1 1 374.525 3.277 20 10 FGCDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295387278 499001392 /nfs/dbraw/zinc/00/13/92/499001392.db2.gz QONBYTNSGIYTQH-HXUWFJFHSA-N 1 1 373.541 3.183 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2Cn2nc(C)nc2C)c1O ZINC000363911560 499050199 /nfs/dbraw/zinc/05/01/99/499050199.db2.gz UQHDBDNGMXLQNM-INIZCTEOSA-N 1 1 364.877 3.317 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000284239013 499073850 /nfs/dbraw/zinc/07/38/50/499073850.db2.gz DYDCQIZJZMCCNE-KUHUBIRLSA-N 1 1 372.465 3.141 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372589108 499149993 /nfs/dbraw/zinc/14/99/93/499149993.db2.gz CGPAUWVGGLODPG-HUUCEWRRSA-N 1 1 374.485 3.175 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000372617035 499154507 /nfs/dbraw/zinc/15/45/07/499154507.db2.gz HIEMQPFARZROAY-XJIUQZFPSA-N 1 1 354.441 3.210 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1F ZINC000367349289 499186132 /nfs/dbraw/zinc/18/61/32/499186132.db2.gz NQYDXXTUWJBJLM-INIZCTEOSA-N 1 1 359.445 3.127 20 10 FGCDMO C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(F)cc1O ZINC000376119934 499584424 /nfs/dbraw/zinc/58/44/24/499584424.db2.gz XINXCGQDCYMIPP-NSHDSACASA-N 1 1 365.836 3.468 20 10 FGCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000377246549 499673730 /nfs/dbraw/zinc/67/37/30/499673730.db2.gz UYBQYJJPJDBMSP-NFBKMPQASA-N 1 1 370.585 3.135 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000377246549 499673731 /nfs/dbraw/zinc/67/37/31/499673731.db2.gz UYBQYJJPJDBMSP-NFBKMPQASA-N 1 1 370.585 3.135 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC(F)(F)C2)C1 ZINC000444373949 500841344 /nfs/dbraw/zinc/84/13/44/500841344.db2.gz XFQLMVMWDXOQNC-UHFFFAOYSA-N 1 1 361.436 3.322 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472231865 502277712 /nfs/dbraw/zinc/27/77/12/502277712.db2.gz 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FGCDMO CCCC[N@H+](Cc1ccc(N(CC)CC)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179612635 705707275 /nfs/dbraw/zinc/70/72/75/705707275.db2.gz WBHCDXLJFBFWHJ-KRWDZBQOSA-N 1 1 370.534 3.461 20 10 FGCDMO CCCC[N@@H+](Cc1ccc(N(CC)CC)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179612635 705707278 /nfs/dbraw/zinc/70/72/78/705707278.db2.gz WBHCDXLJFBFWHJ-KRWDZBQOSA-N 1 1 370.534 3.461 20 10 FGCDMO COCCO[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000802652041 724397546 /nfs/dbraw/zinc/39/75/46/724397546.db2.gz IUTQMERVILXUNU-AWEZNQCLSA-N 1 1 358.276 3.091 20 10 FGCDMO COCCO[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000802652041 724397548 /nfs/dbraw/zinc/39/75/48/724397548.db2.gz IUTQMERVILXUNU-AWEZNQCLSA-N 1 1 358.276 3.091 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000781638569 724581876 /nfs/dbraw/zinc/58/18/76/724581876.db2.gz LQDSDDQTPDDKBC-ZDUSSCGKSA-N 1 1 356.260 3.238 20 10 FGCDMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781905863 724610458 /nfs/dbraw/zinc/61/04/58/724610458.db2.gz 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FGCDMO COc1cc(Cl)cc(C[N@@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)c1O ZINC000793621487 723456195 /nfs/dbraw/zinc/45/61/95/723456195.db2.gz XCQKPWMQCSYASG-SFHVURJKSA-N 1 1 360.885 3.413 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCN(C)[C@@H](Cc3ccccc3)C2)c1O ZINC000793621487 723456201 /nfs/dbraw/zinc/45/62/01/723456201.db2.gz XCQKPWMQCSYASG-SFHVURJKSA-N 1 1 360.885 3.413 20 10 FGCDMO CCc1cc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793701447 723461769 /nfs/dbraw/zinc/46/17/69/723461769.db2.gz UIDACNXGNPTRKE-HNNXBMFYSA-N 1 1 353.528 3.119 20 10 FGCDMO CCn1cc(CC[N@@H+](CC)Cc2cc(Br)ccc2O)cn1 ZINC000794561440 723531050 /nfs/dbraw/zinc/53/10/50/723531050.db2.gz VGJORCXQWFDASR-UHFFFAOYSA-N 1 1 352.276 3.436 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766584487 723582429 /nfs/dbraw/zinc/58/24/29/723582429.db2.gz UIIWHLSEZWYBAL-HIFRSBDPSA-N 1 1 360.889 3.108 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1F ZINC000796035254 723618345 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COC1([C@@H](C)[NH2+]Cc2cc(C)cc(Br)c2O)CCOCC1 ZINC000817419128 727249913 /nfs/dbraw/zinc/24/99/13/727249913.db2.gz BRPDDSGJLUSCRD-GFCCVEGCSA-N 1 1 358.276 3.137 20 10 FGCDMO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817941368 727289019 /nfs/dbraw/zinc/28/90/19/727289019.db2.gz JPDQBNGDFHYXLP-CXAGYDPISA-N 1 1 362.543 3.057 20 10 FGCDMO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823447435 729281461 /nfs/dbraw/zinc/28/14/61/729281461.db2.gz IDPNMIHHIPJNBO-OAHLLOKOSA-N 1 1 366.552 3.249 20 10 FGCDMO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823447435 729281463 /nfs/dbraw/zinc/28/14/63/729281463.db2.gz IDPNMIHHIPJNBO-OAHLLOKOSA-N 1 1 366.552 3.249 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c1O ZINC000824821302 729360111 /nfs/dbraw/zinc/36/01/11/729360111.db2.gz XWKJJNDZXMBEMF-AWEZNQCLSA-N 1 1 358.276 3.410 20 10 FGCDMO COc1ccc(O)c(C[N@@H+](C)C2(CNC(=O)OC(C)(C)C)CCC2)c1 ZINC000824932483 729365612 /nfs/dbraw/zinc/36/56/12/729365612.db2.gz QKDUIXXTRULRSI-UHFFFAOYSA-N 1 1 350.459 3.280 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)c1O ZINC000825041051 729368651 /nfs/dbraw/zinc/36/86/51/729368651.db2.gz ZVCCFWAEVNZYHV-CYBMUJFWSA-N 1 1 360.292 3.392 20 10 FGCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)NCCc1ccccc1 ZINC000825039960 729368769 /nfs/dbraw/zinc/36/87/69/729368769.db2.gz CYIXKHXFEISBAQ-LBPRGKRZSA-N 1 1 350.821 3.022 20 10 FGCDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825129944 729372123 /nfs/dbraw/zinc/37/21/23/729372123.db2.gz IOBNMMSSNPPMDL-OXQOHEQNSA-N 1 1 360.523 3.356 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+](CCO)C2CCSCC2)c1O ZINC000825133507 729372323 /nfs/dbraw/zinc/37/23/23/729372323.db2.gz HZVKSQUPLFWGKY-UHFFFAOYSA-N 1 1 360.317 3.153 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000825173166 729373554 /nfs/dbraw/zinc/37/35/54/729373554.db2.gz JGVYWWCNRMLJGV-UHFFFAOYSA-N 1 1 351.922 3.002 20 10 FGCDMO [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000826940638 729419594 /nfs/dbraw/zinc/41/95/94/729419594.db2.gz DOQVMUNFAXOJTP-INIZCTEOSA-N 1 1 364.848 3.041 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1O ZINC000827679142 729433229 /nfs/dbraw/zinc/43/32/29/729433229.db2.gz ICCUHJDDFLIYFL-CYBMUJFWSA-N 1 1 369.303 3.200 20 10 FGCDMO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cc(Br)ccc1O)C2 ZINC000828019265 729438608 /nfs/dbraw/zinc/43/86/08/729438608.db2.gz SLTFAFPHTRDOAF-UHFFFAOYSA-N 1 1 364.287 3.473 20 10 FGCDMO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC000828019265 729438609 /nfs/dbraw/zinc/43/86/09/729438609.db2.gz SLTFAFPHTRDOAF-UHFFFAOYSA-N 1 1 364.287 3.473 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828754632 729447591 /nfs/dbraw/zinc/44/75/91/729447591.db2.gz BMTPKFXVHUVXKD-LSDHHAIUSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828754632 729447592 /nfs/dbraw/zinc/44/75/92/729447592.db2.gz BMTPKFXVHUVXKD-LSDHHAIUSA-N 1 1 361.873 3.028 20 10 FGCDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C1=CC(=O)CS1 ZINC000831221433 729626359 /nfs/dbraw/zinc/62/63/59/729626359.db2.gz YVALLZLSFPJWBV-HNNXBMFYSA-N 1 1 360.479 3.286 20 10 FGCDMO C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cc(Br)c(F)cc1O ZINC000834912313 729845769 /nfs/dbraw/zinc/84/57/69/729845769.db2.gz CKPFVCLHKGCQFY-BHDSKKPTSA-N 1 1 371.250 3.098 20 10 FGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cnc(-c3ccccn3)s2)cc1 ZINC000841045576 730205564 /nfs/dbraw/zinc/20/55/64/730205564.db2.gz NAIVTEXVIBZLDB-KRWDZBQOSA-N 1 1 353.495 3.061 20 10 FGCDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000843433338 730620833 /nfs/dbraw/zinc/62/08/33/730620833.db2.gz XSMIYQCGFFOREF-QGZVFWFLSA-N 1 1 352.356 3.046 20 10 FGCDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1cc(Br)ccc1O ZINC000843884445 730663009 /nfs/dbraw/zinc/66/30/09/730663009.db2.gz CMHZRRDXEQKNOU-LLVKDONJSA-N 1 1 366.259 3.181 20 10 FGCDMO C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000845100586 730810264 /nfs/dbraw/zinc/81/02/64/730810264.db2.gz BJRBDEHRXGHWFU-KGLIPLIRSA-N 1 1 365.905 3.498 20 10 FGCDMO [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350839 731251543 /nfs/dbraw/zinc/25/15/43/731251543.db2.gz YNHOGRQKONFKHB-CQSZACIVSA-N 1 1 353.304 3.366 20 10 FGCDMO C[N@H+](Cc1c(O)ccc2cc(Br)ccc21)C[C@@H]1COCCO1 ZINC000853558285 731722615 /nfs/dbraw/zinc/72/26/15/731722615.db2.gz GNBHNLCVTCEOOT-CQSZACIVSA-N 1 1 366.255 3.155 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C(F)(F)F)c1 ZINC000862526340 732843323 /nfs/dbraw/zinc/84/33/23/732843323.db2.gz ACBWRJLPTAETEV-JPMUSVJPSA-N 1 1 360.445 3.257 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C(F)(F)F)c1 ZINC000862526340 732843324 /nfs/dbraw/zinc/84/33/24/732843324.db2.gz ACBWRJLPTAETEV-JPMUSVJPSA-N 1 1 360.445 3.257 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCO[C@H](C(F)F)CC3)cc2)CC1 ZINC000872272692 735611222 /nfs/dbraw/zinc/61/12/22/735611222.db2.gz QLVXOPWLUVXNFW-SFHVURJKSA-N 1 1 354.441 3.158 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2F)C[C@@H](C)O1 ZINC000876946999 736166476 /nfs/dbraw/zinc/16/64/76/736166476.db2.gz YQCVJHREBJKMLO-CHWSQXEVSA-N 1 1 364.852 3.173 20 10 FGCDMO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000877075026 736184474 /nfs/dbraw/zinc/18/44/74/736184474.db2.gz YQIUTSPPLNXHKO-AWEZNQCLSA-N 1 1 361.511 3.101 20 10 FGCDMO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000877075027 736184583 /nfs/dbraw/zinc/18/45/83/736184583.db2.gz YQIUTSPPLNXHKO-CQSZACIVSA-N 1 1 361.511 3.101 20 10 FGCDMO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000877612105 736693100 /nfs/dbraw/zinc/69/31/00/736693100.db2.gz CQEYVEIIVVFCQT-UHFFFAOYSA-N 1 1 351.834 3.024 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000877693095 736706548 /nfs/dbraw/zinc/70/65/48/736706548.db2.gz ATQCSJDTYXDDBH-WDEREUQCSA-N 1 1 368.193 3.066 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000877693095 736706554 /nfs/dbraw/zinc/70/65/54/736706554.db2.gz ATQCSJDTYXDDBH-WDEREUQCSA-N 1 1 368.193 3.066 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822733 736730414 /nfs/dbraw/zinc/73/04/14/736730414.db2.gz HTOJZRMEPANIOQ-RHSMWYFYSA-N 1 1 358.404 3.065 20 10 FGCDMO C[NH+]1CCN(c2ccc(CN[C@H]3CCc4ccc(Cl)nc43)cc2)CC1 ZINC000883289839 737547996 /nfs/dbraw/zinc/54/79/96/737547996.db2.gz BJOZPXUMRQIXGY-SFHVURJKSA-N 1 1 356.901 3.264 20 10 FGCDMO CC1CCN(C(=O)C2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)CC1 ZINC000893967640 742220393 /nfs/dbraw/zinc/22/03/93/742220393.db2.gz QOGMBVKETFBRLR-UHFFFAOYSA-N 1 1 352.425 3.141 20 10 FGCDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)s1 ZINC000895359320 742402270 /nfs/dbraw/zinc/40/22/70/742402270.db2.gz QVQLQICPXFUWFX-JTQLQIEISA-N 1 1 368.405 3.293 20 10 FGCDMO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3O)C2)s1 ZINC000895359320 742402273 /nfs/dbraw/zinc/40/22/73/742402273.db2.gz QVQLQICPXFUWFX-JTQLQIEISA-N 1 1 368.405 3.293 20 10 FGCDMO Cn1ccc([C@H]2CCC[N@H+](Cc3cccc(Br)c3O)C2)n1 ZINC000896492888 742558377 /nfs/dbraw/zinc/55/83/77/742558377.db2.gz XILWFINOHDZVMJ-LBPRGKRZSA-N 1 1 350.260 3.268 20 10 FGCDMO Cn1ccc([C@H]2CCC[N@@H+](Cc3cccc(Br)c3O)C2)n1 ZINC000896492888 742558380 /nfs/dbraw/zinc/55/83/80/742558380.db2.gz XILWFINOHDZVMJ-LBPRGKRZSA-N 1 1 350.260 3.268 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cc3nc(C)no3)C2)c1O ZINC000897576837 742691370 /nfs/dbraw/zinc/69/13/70/742691370.db2.gz KPHQTNNCEUBACQ-LBPRGKRZSA-N 1 1 351.834 3.200 20 10 FGCDMO CCO[C@]12CCC[C@@]1([NH2+]Cc1cccc(Br)c1O)CCO2 ZINC000897978089 742730086 /nfs/dbraw/zinc/73/00/86/742730086.db2.gz LTPKZIHMAGISJE-CVEARBPZSA-N 1 1 356.260 3.320 20 10 FGCDMO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000921587379 758750664 /nfs/dbraw/zinc/75/06/64/758750664.db2.gz RRYIMLLKUACVJT-UHFFFAOYSA-N 1 1 366.868 3.016 20 10 FGCDMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000070758231 494053482 /nfs/dbraw/zinc/05/34/82/494053482.db2.gz ZURGODWCULSSAD-UHFFFAOYSA-N 1 1 367.493 3.211 20 10 FGCDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000070758231 494053486 /nfs/dbraw/zinc/05/34/86/494053486.db2.gz ZURGODWCULSSAD-UHFFFAOYSA-N 1 1 367.493 3.211 20 10 FGCDMO CCN1CCN([C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)CC1 ZINC000093132882 494830968 /nfs/dbraw/zinc/83/09/68/494830968.db2.gz UFCNTTXDWDDUKK-JOCHJYFZSA-N 1 1 365.521 3.271 20 10 FGCDMO CCN1CCN([C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)CC1 ZINC000093132882 494830970 /nfs/dbraw/zinc/83/09/70/494830970.db2.gz UFCNTTXDWDDUKK-JOCHJYFZSA-N 1 1 365.521 3.271 20 10 FGCDMO O=C(c1cccs1)N1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000093385798 494883235 /nfs/dbraw/zinc/88/32/35/494883235.db2.gz QRTNIUZOFZSLCJ-UHFFFAOYSA-N 1 1 350.871 3.455 20 10 FGCDMO O=C(c1cccs1)N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000093385798 494883240 /nfs/dbraw/zinc/88/32/40/494883240.db2.gz QRTNIUZOFZSLCJ-UHFFFAOYSA-N 1 1 350.871 3.455 20 10 FGCDMO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000111235863 495052476 /nfs/dbraw/zinc/05/24/76/495052476.db2.gz WEIGATTYFRGCCG-HUUCEWRRSA-N 1 1 372.465 3.107 20 10 FGCDMO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000134265577 495128531 /nfs/dbraw/zinc/12/85/31/495128531.db2.gz JOXKNQDQQLNASC-KBXCAEBGSA-N 1 1 373.884 3.325 20 10 FGCDMO C[C@H]1C[C@H](CNC(=O)N(C)Cc2ccccc2O)C[N@H+]1Cc1ccccc1 ZINC000119324360 495141908 /nfs/dbraw/zinc/14/19/08/495141908.db2.gz LVZBSOFJAIQNOY-PKOBYXMFSA-N 1 1 367.493 3.444 20 10 FGCDMO C[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000120783428 495456635 /nfs/dbraw/zinc/45/66/35/495456635.db2.gz WHQWEMFQEHENII-VQTJNVASSA-N 1 1 358.574 3.211 20 10 FGCDMO Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000183110124 495839350 /nfs/dbraw/zinc/83/93/50/495839350.db2.gz ZWMLGTHFPYUPFZ-LJQANCHMSA-N 1 1 364.449 3.437 20 10 FGCDMO Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000183110124 495839355 /nfs/dbraw/zinc/83/93/55/495839355.db2.gz ZWMLGTHFPYUPFZ-LJQANCHMSA-N 1 1 364.449 3.437 20 10 FGCDMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)cc1O ZINC000186349816 495958794 /nfs/dbraw/zinc/95/87/94/495958794.db2.gz MBWDZYMHPAZYAR-FZKQIMNGSA-N 1 1 357.429 3.154 20 10 FGCDMO Cc1cc(C(=O)N(C)CCCn2cc[nH+]c2C)c(C)n1-c1ccccn1 ZINC000153682429 496544342 /nfs/dbraw/zinc/54/43/42/496544342.db2.gz KPHQZEXWYOJCEB-UHFFFAOYSA-N 1 1 351.454 3.156 20 10 FGCDMO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(Br)ccc1O ZINC000184877449 496568895 /nfs/dbraw/zinc/56/88/95/496568895.db2.gz RTPUHNFOAYUGQY-NSHDSACASA-N 1 1 365.275 3.323 20 10 FGCDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cc1ccc(N)cc1 ZINC000169121146 496714826 /nfs/dbraw/zinc/71/48/26/496714826.db2.gz LEXYPSPQBTZMSW-AQKKSAQBSA-N 1 1 351.494 3.084 20 10 FGCDMO CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1 ZINC000273591930 496847916 /nfs/dbraw/zinc/84/79/16/496847916.db2.gz PNCUFEDXIILKSY-DAYGRLMNSA-N 1 1 365.474 3.088 20 10 FGCDMO CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)C1 ZINC000273591934 496848207 /nfs/dbraw/zinc/84/82/07/496848207.db2.gz PNCUFEDXIILKSY-VKJFTORMSA-N 1 1 365.474 3.088 20 10 FGCDMO Cc1cccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1O ZINC000191684876 496854291 /nfs/dbraw/zinc/85/42/91/496854291.db2.gz KDKZRXTZOKMOCZ-UHFFFAOYSA-N 1 1 372.416 3.283 20 10 FGCDMO C[C@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000274418363 497093467 /nfs/dbraw/zinc/09/34/67/497093467.db2.gz GLUNJBSTSYTNLV-GOSISDBHSA-N 1 1 353.510 3.175 20 10 FGCDMO O=C(c1cccc(O)c1O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000193137606 497311235 /nfs/dbraw/zinc/31/12/35/497311235.db2.gz DHZNQJXGUNIKLC-HKUYNNGSSA-N 1 1 366.461 3.225 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194426326 497662453 /nfs/dbraw/zinc/66/24/53/497662453.db2.gz SZUWYYMPCDKVOL-SFHVURJKSA-N 1 1 353.466 3.056 20 10 FGCDMO Cc1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280801287 497903422 /nfs/dbraw/zinc/90/34/22/497903422.db2.gz SHNWREKJZVZZLQ-FOIQADDNSA-N 1 1 359.491 3.194 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000296241973 497969166 /nfs/dbraw/zinc/96/91/66/497969166.db2.gz COOMRDWCMQWVOR-URKNILKWSA-N 1 1 356.422 3.145 20 10 FGCDMO COc1cc(O)c(C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)cc1OC ZINC000285024227 497972119 /nfs/dbraw/zinc/97/21/19/497972119.db2.gz FPFISSXEEMTQKI-UHFFFAOYSA-N 1 1 364.486 3.022 20 10 FGCDMO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000364511904 497993978 /nfs/dbraw/zinc/99/39/78/497993978.db2.gz QYMIFMCZQCNVCR-GOSISDBHSA-N 1 1 350.422 3.010 20 10 FGCDMO CCNC(=O)COc1cccc(C[NH2+][C@H](CC)c2ccc(F)cc2O)c1 ZINC000285515961 498115021 /nfs/dbraw/zinc/11/50/21/498115021.db2.gz AXGWLYIEIMQWBR-GOSISDBHSA-N 1 1 360.429 3.287 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4nnc(C)[nH]4)C3)cc2)CC1 ZINC000296679848 498149294 /nfs/dbraw/zinc/14/92/94/498149294.db2.gz BARLCDSAJWLPJZ-GOSISDBHSA-N 1 1 369.513 3.108 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4nc(C)n[nH]4)C3)cc2)CC1 ZINC000296679848 498149300 /nfs/dbraw/zinc/14/93/00/498149300.db2.gz BARLCDSAJWLPJZ-GOSISDBHSA-N 1 1 369.513 3.108 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4nc(C)n[nH]4)C3)cc2)CC1 ZINC000296679848 498149307 /nfs/dbraw/zinc/14/93/07/498149307.db2.gz BARLCDSAJWLPJZ-GOSISDBHSA-N 1 1 369.513 3.108 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4n[nH]c(C)n4)C3)cc2)CC1 ZINC000296679848 498149312 /nfs/dbraw/zinc/14/93/12/498149312.db2.gz BARLCDSAJWLPJZ-GOSISDBHSA-N 1 1 369.513 3.108 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4n[nH]c(C)n4)C3)cc2)CC1 ZINC000296679848 498149319 /nfs/dbraw/zinc/14/93/19/498149319.db2.gz BARLCDSAJWLPJZ-GOSISDBHSA-N 1 1 369.513 3.108 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1O ZINC000360345163 498268187 /nfs/dbraw/zinc/26/81/87/498268187.db2.gz PSAUNFGKSUZTNI-OAHLLOKOSA-N 1 1 352.862 3.031 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+](CCO)Cc3ccccc3)cc2)CC1 ZINC000297136025 498328710 /nfs/dbraw/zinc/32/87/10/498328710.db2.gz NHYMDZIPAVMGIO-UHFFFAOYSA-N 1 1 354.494 3.296 20 10 FGCDMO Cc1cc(C)c([C@H](C)[NH2+]Cc2cccnc2N2CCN(C)CC2)c(O)c1 ZINC000293592412 498423471 /nfs/dbraw/zinc/42/34/71/498423471.db2.gz FOBNSKLAJYHBBC-KRWDZBQOSA-N 1 1 354.498 3.007 20 10 FGCDMO Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccnc2N2CCN(C)CC2)c(O)c1 ZINC000293592418 498423617 /nfs/dbraw/zinc/42/36/17/498423617.db2.gz FOBNSKLAJYHBBC-QGZVFWFLSA-N 1 1 354.498 3.007 20 10 FGCDMO Cc1cc(Br)cc(C[NH2+]Cc2ncnn2C(C)(C)C)c1O ZINC000282403285 498497320 /nfs/dbraw/zinc/49/73/20/498497320.db2.gz CUWIUFVYEJJYAE-UHFFFAOYSA-N 1 1 353.264 3.099 20 10 FGCDMO C[C@@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)N1CCN(C)CC1 ZINC000293887379 498523559 /nfs/dbraw/zinc/52/35/59/498523559.db2.gz VTQDSUBLZDRMSD-UGKGYDQZSA-N 1 1 367.537 3.292 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000365807734 498650548 /nfs/dbraw/zinc/65/05/48/498650548.db2.gz WKKVYTCQVFWBQS-UHFFFAOYSA-N 1 1 357.410 3.159 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(F)cc1O ZINC000363858861 499028394 /nfs/dbraw/zinc/02/83/94/499028394.db2.gz RNHKJOFLPYLTCR-RHSMWYFYSA-N 1 1 366.440 3.379 20 10 FGCDMO C[C@@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1cc(F)ccc1O ZINC000369902570 499149138 /nfs/dbraw/zinc/14/91/38/499149138.db2.gz OJQJEKMEJPAYBF-NXEZZACHSA-N 1 1 358.339 3.098 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372589109 499149752 /nfs/dbraw/zinc/14/97/52/499149752.db2.gz CGPAUWVGGLODPG-LSDHHAIUSA-N 1 1 374.485 3.175 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@@H+](C)[C@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323144 499181554 /nfs/dbraw/zinc/18/15/54/499181554.db2.gz ZNWYBBAAVXRTIO-HOTGVXAUSA-N 1 1 356.470 3.161 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+][C@H](c2nc(C)no2)C2CCOCC2)cc1 ZINC000370159101 499189727 /nfs/dbraw/zinc/18/97/27/499189727.db2.gz FKUAARWZVFRSFC-IBGZPJMESA-N 1 1 358.486 3.482 20 10 FGCDMO CC[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccc(F)cc1O ZINC000367614353 499217938 /nfs/dbraw/zinc/21/79/38/499217938.db2.gz GTTQBTNHCDSIIY-ADLFWFRXSA-N 1 1 360.477 3.389 20 10 FGCDMO CC[C@@H](c1cccc(Cl)c1[O-])[N@H+]1CCO[C@@H](c2nncn2CC)C1 ZINC000367897382 499242982 /nfs/dbraw/zinc/24/29/82/499242982.db2.gz SQULMGVCXLUYKE-LSDHHAIUSA-N 1 1 350.850 3.182 20 10 FGCDMO CC[C@H](c1ccccc1O)[N@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000368021593 499256190 /nfs/dbraw/zinc/25/61/90/499256190.db2.gz ZHIDNZLMEUWFSC-MRXNPFEDSA-N 1 1 359.495 3.456 20 10 FGCDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000371753685 499361741 /nfs/dbraw/zinc/36/17/41/499361741.db2.gz PSMNTFLZGWOCAM-UHFFFAOYSA-N 1 1 371.437 3.042 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000378346131 499504441 /nfs/dbraw/zinc/50/44/41/499504441.db2.gz PACFUDYSLWGZDB-KRWDZBQOSA-N 1 1 364.453 3.320 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)cc1 ZINC000378346131 499504442 /nfs/dbraw/zinc/50/44/42/499504442.db2.gz PACFUDYSLWGZDB-KRWDZBQOSA-N 1 1 364.453 3.320 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC000375301715 499504832 /nfs/dbraw/zinc/50/48/32/499504832.db2.gz HLZMPIYXEZPRAW-INIZCTEOSA-N 1 1 356.260 3.166 20 10 FGCDMO CC[C@H](c1ccccc1O)[N@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000377668958 499717526 /nfs/dbraw/zinc/71/75/26/499717526.db2.gz GIWNCNRWACICMP-SJORKVTESA-N 1 1 365.433 3.028 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCO[C@@H](C)C2)C1 ZINC000436036066 501061217 /nfs/dbraw/zinc/06/12/17/501061217.db2.gz WZIJITFBBVNAQS-IRXDYDNUSA-N 1 1 369.509 3.092 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCSC2)C1 ZINC000471431830 502027271 /nfs/dbraw/zinc/02/72/71/502027271.db2.gz GMCBKIZVLLQKIH-HNNXBMFYSA-N 1 1 357.523 3.030 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccncc2)C1 ZINC000515031659 503254199 /nfs/dbraw/zinc/25/41/99/503254199.db2.gz YGWXWZYBBVFLJC-UHFFFAOYSA-N 1 1 362.477 3.119 20 10 FGCDMO COc1cccc([C@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2(C)C)c1 ZINC000530101546 503837246 /nfs/dbraw/zinc/83/72/46/503837246.db2.gz IQGHGJXXWOAIPH-QUCCMNQESA-N 1 1 369.461 3.452 20 10 FGCDMO CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829671863 600717977 /nfs/dbraw/zinc/71/79/77/600717977.db2.gz QAJFDFLFOLXJSW-HNNXBMFYSA-N 1 1 356.466 3.407 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821197149 607111315 /nfs/dbraw/zinc/11/13/15/607111315.db2.gz GUNATHIJIPHUBB-UHFFFAOYSA-N 1 1 350.470 3.345 20 10 FGCDMO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000007255635 695566029 /nfs/dbraw/zinc/56/60/29/695566029.db2.gz DJWWBUFKUORTGO-HNNXBMFYSA-N 1 1 357.523 3.392 20 10 FGCDMO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000007255635 695566032 /nfs/dbraw/zinc/56/60/32/695566032.db2.gz DJWWBUFKUORTGO-HNNXBMFYSA-N 1 1 357.523 3.392 20 10 FGCDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccccc1O ZINC000109773326 700536580 /nfs/dbraw/zinc/53/65/80/700536580.db2.gz NQTMIKGKBYDZFV-NSHDSACASA-N 1 1 363.801 3.413 20 10 FGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000153731773 705010167 /nfs/dbraw/zinc/01/01/67/705010167.db2.gz KBYIMBFMAKMZPW-IBGZPJMESA-N 1 1 361.555 3.073 20 10 FGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2ncnc3[nH]ccc32)C1 ZINC000732049033 722481037 /nfs/dbraw/zinc/48/10/37/722481037.db2.gz LUOLGICTBLZHLI-CQSZACIVSA-N 1 1 357.845 3.393 20 10 FGCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)OCC(F)(F)F ZINC000732233089 722482879 /nfs/dbraw/zinc/48/28/79/722482879.db2.gz NYCXALGVWQVSAN-LBPRGKRZSA-N 1 1 366.767 3.299 20 10 FGCDMO Oc1c(Br)cccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000753567783 722904668 /nfs/dbraw/zinc/90/46/68/722904668.db2.gz ASLQOMCSJBVVIR-ZDUSSCGKSA-N 1 1 370.287 3.172 20 10 FGCDMO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)c1ccc(F)cc1O ZINC000756341198 722963071 /nfs/dbraw/zinc/96/30/71/722963071.db2.gz ICEZVLLLOLKFTO-WMLDXEAASA-N 1 1 363.502 3.232 20 10 FGCDMO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Br)c(F)cc1O ZINC000756704603 722968859 /nfs/dbraw/zinc/96/88/59/722968859.db2.gz IDSDCTIIFNOVCH-SECBINFHSA-N 1 1 359.239 3.003 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000756778643 722969932 /nfs/dbraw/zinc/96/99/32/722969932.db2.gz OFWORULKWQUQOI-YWSWHFDRSA-N 1 1 353.509 3.209 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)c1O ZINC000761195733 723132072 /nfs/dbraw/zinc/13/20/72/723132072.db2.gz MYFOIBGLTWUAKG-UHFFFAOYSA-N 1 1 370.877 3.355 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)c1O ZINC000761195733 723132075 /nfs/dbraw/zinc/13/20/75/723132075.db2.gz MYFOIBGLTWUAKG-UHFFFAOYSA-N 1 1 370.877 3.355 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1F ZINC000793366097 723430720 /nfs/dbraw/zinc/43/07/20/723430720.db2.gz QKSSDBWQFZRLGA-HXUWFJFHSA-N 1 1 350.478 3.442 20 10 FGCDMO CC[N@H+]1C[C@@H](C)N(Cc2cc(Br)cc(OC)c2O)C[C@@H]1C ZINC000769466637 723686446 /nfs/dbraw/zinc/68/64/46/723686446.db2.gz OQCGKUYQRHIKLR-NWDGAFQWSA-N 1 1 357.292 3.078 20 10 FGCDMO O=C(C[C@H]1CCCCO1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771057409 723726804 /nfs/dbraw/zinc/72/68/04/723726804.db2.gz JCAIDQVUEAVHOD-DLBZAZTESA-N 1 1 366.889 3.085 20 10 FGCDMO COc1c(O)c(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000774907980 723941469 /nfs/dbraw/zinc/94/14/69/723941469.db2.gz JGZODXUJBJCCDL-HNNXBMFYSA-N 1 1 350.415 3.233 20 10 FGCDMO COc1c(O)c(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000774907980 723941473 /nfs/dbraw/zinc/94/14/73/723941473.db2.gz JGZODXUJBJCCDL-HNNXBMFYSA-N 1 1 350.415 3.233 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000775014707 723951837 /nfs/dbraw/zinc/95/18/37/723951837.db2.gz ALCMDHBUYYZSET-CXAGYDPISA-N 1 1 352.431 3.240 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000775014712 723951983 /nfs/dbraw/zinc/95/19/83/723951983.db2.gz ALCMDHBUYYZSET-GUYCJALGSA-N 1 1 352.431 3.240 20 10 FGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000775633754 724012877 /nfs/dbraw/zinc/01/28/77/724012877.db2.gz LVIKIMLHPKERKC-GOSISDBHSA-N 1 1 362.470 3.208 20 10 FGCDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000775664730 724019234 /nfs/dbraw/zinc/01/92/34/724019234.db2.gz UVBWZECXVHJPFK-OAHLLOKOSA-N 1 1 369.303 3.296 20 10 FGCDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000799937145 724115540 /nfs/dbraw/zinc/11/55/40/724115540.db2.gz KBPAMKHLLDKPKQ-GFCCVEGCSA-N 1 1 368.846 3.487 20 10 FGCDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000799937145 724115543 /nfs/dbraw/zinc/11/55/43/724115543.db2.gz KBPAMKHLLDKPKQ-GFCCVEGCSA-N 1 1 368.846 3.487 20 10 FGCDMO Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000776775915 724181791 /nfs/dbraw/zinc/18/17/91/724181791.db2.gz QJXMULBIMFIOLK-CQSZACIVSA-N 1 1 373.254 3.346 20 10 FGCDMO O=C(Nc1ccccc1)C1([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000778219105 724312410 /nfs/dbraw/zinc/31/24/10/724312410.db2.gz YWRTWTRLBCMZSP-UHFFFAOYSA-N 1 1 361.239 3.416 20 10 FGCDMO C[C@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C[N@@H+]1C1CC1 ZINC000805191114 725055702 /nfs/dbraw/zinc/05/57/02/725055702.db2.gz ROKNPPPJSXUEOV-CABZTGNLSA-N 1 1 358.269 3.123 20 10 FGCDMO C[C@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C[N@H+]1C1CC1 ZINC000805191114 725055704 /nfs/dbraw/zinc/05/57/04/725055704.db2.gz ROKNPPPJSXUEOV-CABZTGNLSA-N 1 1 358.269 3.123 20 10 FGCDMO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000806663323 725139953 /nfs/dbraw/zinc/13/99/53/725139953.db2.gz OUKCAGLBJMTSSM-PELKAZGASA-N 1 1 351.299 3.217 20 10 FGCDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639630 725255032 /nfs/dbraw/zinc/25/50/32/725255032.db2.gz MOGNNCPAKBKYID-GKVSMKOHSA-N 1 1 356.535 3.448 20 10 FGCDMO CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC000809738138 725263966 /nfs/dbraw/zinc/26/39/66/725263966.db2.gz QTRSKYSTNBTQPT-MRXNPFEDSA-N 1 1 357.901 3.033 20 10 FGCDMO C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(Br)c3[O-])C2)CC1 ZINC000809756604 725265778 /nfs/dbraw/zinc/26/57/78/725265778.db2.gz TWGQUVOGRHMVFO-CQSZACIVSA-N 1 1 353.304 3.318 20 10 FGCDMO Brc1ccn2cc(C[NH2+]Cc3ccc4c(c3)CCO4)nc2c1 ZINC000810141067 725292396 /nfs/dbraw/zinc/29/23/96/725292396.db2.gz JRRMRRRYXTZVMX-UHFFFAOYSA-N 1 1 358.239 3.322 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000810252227 725300060 /nfs/dbraw/zinc/30/00/60/725300060.db2.gz AMPBKARKTIRIGT-UONOGXRCSA-N 1 1 360.889 3.108 20 10 FGCDMO OC[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000812782213 726811040 /nfs/dbraw/zinc/81/10/40/726811040.db2.gz RAJRUNNWBGVHQC-SFHVURJKSA-N 1 1 362.267 3.291 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1F ZINC000814171304 726944376 /nfs/dbraw/zinc/94/43/76/726944376.db2.gz OASWHGLWJGQSPS-QGZVFWFLSA-N 1 1 370.534 3.461 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1F ZINC000814171304 726944378 /nfs/dbraw/zinc/94/43/78/726944378.db2.gz OASWHGLWJGQSPS-QGZVFWFLSA-N 1 1 370.534 3.461 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000814298625 726954235 /nfs/dbraw/zinc/95/42/35/726954235.db2.gz YPUBLMCARCTDIU-UHFFFAOYSA-N 1 1 359.227 3.025 20 10 FGCDMO CC(C)CN1CCO[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815553810 727083568 /nfs/dbraw/zinc/08/35/68/727083568.db2.gz KSUWHJYJBMVFTP-KGLIPLIRSA-N 1 1 360.420 3.418 20 10 FGCDMO Cc1cccc(C)c1OC[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816540287 727173271 /nfs/dbraw/zinc/17/32/71/727173271.db2.gz HLMPJZNIKUIFCH-CQSZACIVSA-N 1 1 353.821 3.331 20 10 FGCDMO CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000816549014 727174272 /nfs/dbraw/zinc/17/42/72/727174272.db2.gz AGMYOWGENFFYLI-DYVFJYSZSA-N 1 1 358.885 3.411 20 10 FGCDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816574925 727177057 /nfs/dbraw/zinc/17/70/57/727177057.db2.gz WVYYRDZLEFCLQA-AWEZNQCLSA-N 1 1 352.356 3.046 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](O)C23CCCC3)c1O ZINC000816630750 727182303 /nfs/dbraw/zinc/18/23/03/727182303.db2.gz QIESOFMLPQXQHI-CQSZACIVSA-N 1 1 356.260 3.043 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCCN1 ZINC000817899387 727287493 /nfs/dbraw/zinc/28/74/93/727287493.db2.gz LMLVUBMZWHOHQS-HDMKZQKVSA-N 1 1 353.457 3.377 20 10 FGCDMO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2O)s1 ZINC000822497937 729182542 /nfs/dbraw/zinc/18/25/42/729182542.db2.gz OVFLZCPYQGQAHI-QMMMGPOBSA-N 1 1 356.831 3.148 20 10 FGCDMO Fc1cc(C[NH2+]Cc2ccnc(Cl)c2F)ccc1N1CCOCC1 ZINC000823670598 729297691 /nfs/dbraw/zinc/29/76/91/729297691.db2.gz BCAXOCIAPLLFBN-UHFFFAOYSA-N 1 1 353.800 3.140 20 10 FGCDMO COc1ccc(C[N@@H+](CCO)Cc2cc(Cl)c(C)cc2O)c(OC)c1 ZINC000824801920 729359421 /nfs/dbraw/zinc/35/94/21/729359421.db2.gz GRKQMLPBAKKPLY-UHFFFAOYSA-N 1 1 365.857 3.366 20 10 FGCDMO CC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H](C)CS(=O)(=O)CC ZINC000824813258 729359817 /nfs/dbraw/zinc/35/98/17/729359817.db2.gz CLXKKRFUOAXPMP-CQSZACIVSA-N 1 1 371.543 3.343 20 10 FGCDMO CC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H](C)CS(=O)(=O)CC ZINC000824813258 729359819 /nfs/dbraw/zinc/35/98/19/729359819.db2.gz CLXKKRFUOAXPMP-CQSZACIVSA-N 1 1 371.543 3.343 20 10 FGCDMO CC[N@@H+](Cc1cnn2c1CCC2)Cc1cc(Br)ccc1O ZINC000824913502 729364734 /nfs/dbraw/zinc/36/47/34/729364734.db2.gz UUTUTLYLFHOCBV-UHFFFAOYSA-N 1 1 350.260 3.320 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(Br)cc1O)c1nnc2n1CCCCC2 ZINC000825097606 729370693 /nfs/dbraw/zinc/37/06/93/729370693.db2.gz WRNOCHNFUYCXJZ-NSHDSACASA-N 1 1 365.275 3.323 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)c1nnc2n1CCCCC2 ZINC000825097605 729370760 /nfs/dbraw/zinc/37/07/60/729370760.db2.gz WRNOCHNFUYCXJZ-LLVKDONJSA-N 1 1 365.275 3.323 20 10 FGCDMO COc1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000825773581 729394832 /nfs/dbraw/zinc/39/48/32/729394832.db2.gz KNJNFXYXBPEVJZ-MRXNPFEDSA-N 1 1 369.527 3.097 20 10 FGCDMO O=C(CSC(F)F)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095525 729424073 /nfs/dbraw/zinc/42/40/73/729424073.db2.gz IMRLWWHTXKXBDY-LBPRGKRZSA-N 1 1 364.845 3.082 20 10 FGCDMO O=C(CSC(F)F)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095525 729424074 /nfs/dbraw/zinc/42/40/74/729424074.db2.gz IMRLWWHTXKXBDY-LBPRGKRZSA-N 1 1 364.845 3.082 20 10 FGCDMO Cc1cc(C(=O)C[N@H+](C)C[C@@H]2CCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827990753 729438119 /nfs/dbraw/zinc/43/81/19/729438119.db2.gz KAWMQPLXJJITHI-HNNXBMFYSA-N 1 1 361.873 3.294 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+](C)C[C@@H]2CCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827990753 729438120 /nfs/dbraw/zinc/43/81/20/729438120.db2.gz KAWMQPLXJJITHI-HNNXBMFYSA-N 1 1 361.873 3.294 20 10 FGCDMO Cc1cc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000830018869 729530645 /nfs/dbraw/zinc/53/06/45/729530645.db2.gz ZAGOHRAPZCRXDO-IBGZPJMESA-N 1 1 364.555 3.242 20 10 FGCDMO Cc1cc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000830018869 729530648 /nfs/dbraw/zinc/53/06/48/729530648.db2.gz ZAGOHRAPZCRXDO-IBGZPJMESA-N 1 1 364.555 3.242 20 10 FGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1 ZINC000835055627 729853599 /nfs/dbraw/zinc/85/35/99/729853599.db2.gz LXWBLRFHXRWQKH-LIXSYLKWSA-N 1 1 350.528 3.055 20 10 FGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1 ZINC000835055627 729853600 /nfs/dbraw/zinc/85/36/00/729853600.db2.gz LXWBLRFHXRWQKH-LIXSYLKWSA-N 1 1 350.528 3.055 20 10 FGCDMO [NH3+][C@@H]1CN(Cc2cccc(Br)c2O)C[C@H]1c1cccc(F)c1 ZINC000841104498 730211755 /nfs/dbraw/zinc/21/17/55/730211755.db2.gz SNMSKPLLVRWPOT-GOEBONIOSA-N 1 1 365.246 3.221 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1 ZINC000842751693 730539453 /nfs/dbraw/zinc/53/94/53/730539453.db2.gz JZNUKKOEJXXZKR-HNNXBMFYSA-N 1 1 369.303 3.200 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)c(F)cc1O ZINC000842884231 730553519 /nfs/dbraw/zinc/55/35/19/730553519.db2.gz HHVQGRBNAKRHED-RNCFNFMXSA-N 1 1 373.266 3.344 20 10 FGCDMO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000844858674 730781539 /nfs/dbraw/zinc/78/15/39/730781539.db2.gz MHKUYSJTEIIDFM-QGZVFWFLSA-N 1 1 359.857 3.119 20 10 FGCDMO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000844902221 730787066 /nfs/dbraw/zinc/78/70/66/730787066.db2.gz LYXUGKXPORDMOG-PEYYIBSZSA-N 1 1 359.297 3.417 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC000853240059 731686702 /nfs/dbraw/zinc/68/67/02/731686702.db2.gz FUJARYJHBLIZJC-SNVBAGLBSA-N 1 1 354.328 3.443 20 10 FGCDMO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1 ZINC000857057937 732098222 /nfs/dbraw/zinc/09/82/22/732098222.db2.gz HFJXNMRBYMWKPY-PRPIBZDOSA-N 1 1 356.491 3.025 20 10 FGCDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862233006 732791586 /nfs/dbraw/zinc/79/15/86/732791586.db2.gz OZOUQBXNURTXET-NSHDSACASA-N 1 1 371.275 3.254 20 10 FGCDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862233006 732791588 /nfs/dbraw/zinc/79/15/88/732791588.db2.gz OZOUQBXNURTXET-NSHDSACASA-N 1 1 371.275 3.254 20 10 FGCDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862237952 732794166 /nfs/dbraw/zinc/79/41/66/732794166.db2.gz ZEAYIPBLSIENRZ-CQSZACIVSA-N 1 1 353.457 3.159 20 10 FGCDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862237952 732794167 /nfs/dbraw/zinc/79/41/67/732794167.db2.gz ZEAYIPBLSIENRZ-CQSZACIVSA-N 1 1 353.457 3.159 20 10 FGCDMO CN(C)c1cc(F)c(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1F ZINC000862249131 732797969 /nfs/dbraw/zinc/79/79/69/732797969.db2.gz HFAIRXHZGPBRGB-UHFFFAOYSA-N 1 1 351.441 3.008 20 10 FGCDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862249466 732798336 /nfs/dbraw/zinc/79/83/36/732798336.db2.gz PXLQKSJRQOBWQL-NSHDSACASA-N 1 1 356.260 3.318 20 10 FGCDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1c(O)cccc1Br)C[C@H](C)O2 ZINC000862353319 732813855 /nfs/dbraw/zinc/81/38/55/732813855.db2.gz KNVZJZIELZMHFK-IGCXYCKISA-N 1 1 370.287 3.313 20 10 FGCDMO CC(C)OCCOC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862387872 732821859 /nfs/dbraw/zinc/82/18/59/732821859.db2.gz SNGWTVNRSKYTAG-UHFFFAOYSA-N 1 1 356.457 3.437 20 10 FGCDMO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(C)cc(Br)c2O)C1 ZINC000862488486 732841080 /nfs/dbraw/zinc/84/10/80/732841080.db2.gz KVAOILBQDCRRLG-ZDUSSCGKSA-N 1 1 354.244 3.205 20 10 FGCDMO FC(F)(F)c1nc(C[NH2+]Cc2ccc3c(c2)CCO3)c2n1CCCC2 ZINC000865804514 733272690 /nfs/dbraw/zinc/27/26/90/733272690.db2.gz YTKQTTJUNUANGD-UHFFFAOYSA-N 1 1 351.372 3.463 20 10 FGCDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000866536922 733363224 /nfs/dbraw/zinc/36/32/24/733363224.db2.gz XQQUTRFSYWVTJB-STQMWFEESA-N 1 1 351.443 3.389 20 10 FGCDMO COC(=O)c1c(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c2cc(F)ccc2n1C ZINC000895149490 742381389 /nfs/dbraw/zinc/38/13/89/742381389.db2.gz ISEURZBSOLIUMR-QGZVFWFLSA-N 1 1 352.356 3.335 20 10 FGCDMO CO[C@]12CCC[C@@]1([NH2+]Cc1cc(Br)cc(F)c1O)CCO2 ZINC000896411730 742546955 /nfs/dbraw/zinc/54/69/55/742546955.db2.gz SQONVIUVGZBJAD-CABCVRRESA-N 1 1 360.223 3.069 20 10 FGCDMO Oc1ccc(F)cc1C[NH2+]C1(c2ncc(Br)cn2)CCC1 ZINC000897352014 742671309 /nfs/dbraw/zinc/67/13/09/742671309.db2.gz UUZVNLCMNMOGSM-UHFFFAOYSA-N 1 1 352.207 3.253 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+]Cc2nc(CN(C)C)cs2)cc1F ZINC000922488953 758935530 /nfs/dbraw/zinc/93/55/30/758935530.db2.gz UUQVYLQKXWJHLI-UHFFFAOYSA-N 1 1 350.507 3.480 20 10 FGCDMO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000359978478 210202642 /nfs/dbraw/zinc/20/26/42/210202642.db2.gz ZZZZRNXBYJFVRZ-GOSISDBHSA-N 1 1 364.449 3.469 20 10 FGCDMO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386968 494389036 /nfs/dbraw/zinc/38/90/36/494389036.db2.gz NXPVPKBPBLBZOZ-GOSISDBHSA-N 1 1 367.493 3.291 20 10 FGCDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)n1 ZINC000091832133 494697670 /nfs/dbraw/zinc/69/76/70/494697670.db2.gz SPHDCDCBOIZTIU-NSHDSACASA-N 1 1 352.232 3.226 20 10 FGCDMO COc1cccc([C@@H]2CCCN2C(=O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000109772011 494916758 /nfs/dbraw/zinc/91/67/58/494916758.db2.gz NXJVZASXAAULNA-IBGZPJMESA-N 1 1 354.450 3.196 20 10 FGCDMO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+](C)Cc1ccccc1O ZINC000111235873 495052359 /nfs/dbraw/zinc/05/23/59/495052359.db2.gz LKJZSZXZHLPZPT-INIZCTEOSA-N 1 1 353.466 3.451 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1O ZINC000128934578 495171051 /nfs/dbraw/zinc/17/10/51/495171051.db2.gz DKQLTIYKUYLROP-UHFFFAOYSA-N 1 1 372.440 3.278 20 10 FGCDMO c1ccc2c(c1)CO[C@]21CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000186444834 496000424 /nfs/dbraw/zinc/00/04/24/496000424.db2.gz GPRSJCBRNHLAGT-QFIPXVFZSA-N 1 1 350.462 3.155 20 10 FGCDMO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc(N4CCOCC4)c(F)c3)cn21 ZINC000178062274 496310831 /nfs/dbraw/zinc/31/08/31/496310831.db2.gz RTUJBGHUINYWHD-MRXNPFEDSA-N 1 1 368.456 3.469 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000278493248 497134311 /nfs/dbraw/zinc/13/43/11/497134311.db2.gz LVHDVWATQYXJGX-INIZCTEOSA-N 1 1 374.437 3.201 20 10 FGCDMO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000278510734 497138895 /nfs/dbraw/zinc/13/88/95/497138895.db2.gz PTLUDGOKGHRVIT-GDBMZVCRSA-N 1 1 352.431 3.382 20 10 FGCDMO CN(C)c1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000279911593 497586287 /nfs/dbraw/zinc/58/62/87/497586287.db2.gz LXEQBUTXYMFAJJ-INIZCTEOSA-N 1 1 351.372 3.088 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000246410499 497724022 /nfs/dbraw/zinc/72/40/22/497724022.db2.gz UUADOMZFMSWTOP-NQIIRXRSSA-N 1 1 372.557 3.405 20 10 FGCDMO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1nncn1C ZINC000289380768 498126096 /nfs/dbraw/zinc/12/60/96/498126096.db2.gz MMRZDINFWBREDB-OAHLLOKOSA-N 1 1 355.408 3.387 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)cc2)CC1 ZINC000296685549 498152086 /nfs/dbraw/zinc/15/20/86/498152086.db2.gz CAXRCMZOZUCFNJ-WOJBJXKFSA-N 1 1 362.539 3.008 20 10 FGCDMO C[C@H]1CN(c2ccc(C[NH2+]Cc3cc(Cl)c(F)cc3O)cn2)CCO1 ZINC000294127596 498597366 /nfs/dbraw/zinc/59/73/66/498597366.db2.gz GUYRJCPLCKWHEV-LBPRGKRZSA-N 1 1 365.836 3.095 20 10 FGCDMO CCCC[N@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccccc1O ZINC000283115770 498785311 /nfs/dbraw/zinc/78/53/11/498785311.db2.gz UXFNSQMFZAFHON-UHFFFAOYSA-N 1 1 351.454 3.229 20 10 FGCDMO CCCC[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccccc1O ZINC000283115770 498785316 /nfs/dbraw/zinc/78/53/16/498785316.db2.gz UXFNSQMFZAFHON-UHFFFAOYSA-N 1 1 351.454 3.229 20 10 FGCDMO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)s1 ZINC000294729385 498785869 /nfs/dbraw/zinc/78/58/69/498785869.db2.gz PXJZPCKZQWUACV-UHFFFAOYSA-N 1 1 363.863 3.330 20 10 FGCDMO Oc1cc(OCc2ccccc2)ccc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294757776 498795783 /nfs/dbraw/zinc/79/57/83/498795783.db2.gz IUBWDFZCUJZLHQ-UHFFFAOYSA-N 1 1 350.422 3.257 20 10 FGCDMO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)c1ccccc1Cl)cc2=O ZINC000298703098 498853620 /nfs/dbraw/zinc/85/36/20/498853620.db2.gz IFUIHPJARHYNTD-LLVKDONJSA-N 1 1 374.828 3.116 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](c4nc(C)no4)C3)cc2)CC1 ZINC000295471462 499027641 /nfs/dbraw/zinc/02/76/41/499027641.db2.gz IRQNBZQNECTYNX-SFHVURJKSA-N 1 1 370.497 3.373 20 10 FGCDMO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(C(C)=O)c2O)o1 ZINC000364079118 499109969 /nfs/dbraw/zinc/10/99/69/499109969.db2.gz JWRWGGVVWCSCHK-GOSISDBHSA-N 1 1 374.412 3.300 20 10 FGCDMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(C(C)=O)c2O)o1 ZINC000364079118 499109974 /nfs/dbraw/zinc/10/99/74/499109974.db2.gz JWRWGGVVWCSCHK-GOSISDBHSA-N 1 1 374.412 3.300 20 10 FGCDMO CCCN(Cc1ccccc1O)C(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000367657327 499221968 /nfs/dbraw/zinc/22/19/68/499221968.db2.gz HOVRWHSOUIZBPE-UHFFFAOYSA-N 1 1 356.470 3.355 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000370649888 499239926 /nfs/dbraw/zinc/23/99/26/499239926.db2.gz IGQFXNXOHCPSOX-HNNXBMFYSA-N 1 1 371.437 3.315 20 10 FGCDMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000368036064 499258136 /nfs/dbraw/zinc/25/81/36/499258136.db2.gz QHTXHOSZOFREJV-ZDUSSCGKSA-N 1 1 362.861 3.415 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000369104976 499365960 /nfs/dbraw/zinc/36/59/60/499365960.db2.gz OEPDQBLQVCZVFG-CTNGQTDRSA-N 1 1 370.541 3.349 20 10 FGCDMO Cc1[nH+]ccn1CCCCNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000371982887 499386768 /nfs/dbraw/zinc/38/67/68/499386768.db2.gz DDKBKQJPPVQUMH-UHFFFAOYSA-N 1 1 367.497 3.147 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000369519602 499412159 /nfs/dbraw/zinc/41/21/59/499412159.db2.gz BYLZMFWPJSXIML-KBXCAEBGSA-N 1 1 359.495 3.288 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000369519612 499412172 /nfs/dbraw/zinc/41/21/72/499412172.db2.gz BYLZMFWPJSXIML-RDTXWAMCSA-N 1 1 359.495 3.288 20 10 FGCDMO COc1c(O)c(C[NH2+]C2CCN(c3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000373208004 499457556 /nfs/dbraw/zinc/45/75/56/499457556.db2.gz YHWNDRHJQMAIBG-UHFFFAOYSA-N 1 1 363.439 3.129 20 10 FGCDMO CC[C@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(F)cc1O ZINC000375836503 499560638 /nfs/dbraw/zinc/56/06/38/499560638.db2.gz CSAAAAYOPFXIFX-GWCFXTLKSA-N 1 1 372.366 3.488 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376575471 499619991 /nfs/dbraw/zinc/61/99/91/499619991.db2.gz VCOGXCQYVATWNJ-OLZOCXBDSA-N 1 1 358.269 3.125 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376575471 499619993 /nfs/dbraw/zinc/61/99/93/499619993.db2.gz VCOGXCQYVATWNJ-OLZOCXBDSA-N 1 1 358.269 3.125 20 10 FGCDMO CO[C@@H]1CC[C@@H](NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000435993563 501055255 /nfs/dbraw/zinc/05/52/55/501055255.db2.gz VOZYCRWORDNKOX-IAGOWNOFSA-N 1 1 369.509 3.092 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000471733898 502122948 /nfs/dbraw/zinc/12/29/48/502122948.db2.gz DCXJKWDSMRRGAF-HZPDHXFCSA-N 1 1 356.514 3.406 20 10 FGCDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)[C@@H](C)C1 ZINC000472226191 502277236 /nfs/dbraw/zinc/27/72/36/502277236.db2.gz VGYGCEYLAOPHTI-MAUKXSAKSA-N 1 1 356.514 3.358 20 10 FGCDMO Cc1[nH+]ccn1CCCN(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472244764 502283068 /nfs/dbraw/zinc/28/30/68/502283068.db2.gz ZMPOAVNERJQGDD-UHFFFAOYSA-N 1 1 353.470 3.223 20 10 FGCDMO Cc1[nH]nc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1C ZINC000584225377 507223142 /nfs/dbraw/zinc/22/31/42/507223142.db2.gz BHBPSJNYOALCGV-UHFFFAOYSA-N 1 1 365.481 3.386 20 10 FGCDMO C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830714582 600986434 /nfs/dbraw/zinc/98/64/34/600986434.db2.gz VDVSOEXXTJWCOP-MRXNPFEDSA-N 1 1 368.477 3.407 20 10 FGCDMO C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830714582 600986437 /nfs/dbraw/zinc/98/64/37/600986437.db2.gz VDVSOEXXTJWCOP-MRXNPFEDSA-N 1 1 368.477 3.407 20 10 FGCDMO C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830714582 600986440 /nfs/dbraw/zinc/98/64/40/600986440.db2.gz VDVSOEXXTJWCOP-MRXNPFEDSA-N 1 1 368.477 3.407 20 10 FGCDMO CC[N@@H+](Cc1c(O)cccc1OC)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428283 608549721 /nfs/dbraw/zinc/54/97/21/608549721.db2.gz HZUAWEKMBHHSJK-ZDUSSCGKSA-N 1 1 353.426 3.164 20 10 FGCDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000092706338 700440313 /nfs/dbraw/zinc/44/03/13/700440313.db2.gz UMCAHZSLIJELAY-CYBMUJFWSA-N 1 1 369.303 3.139 20 10 FGCDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000092706338 700440315 /nfs/dbraw/zinc/44/03/15/700440315.db2.gz UMCAHZSLIJELAY-CYBMUJFWSA-N 1 1 369.303 3.139 20 10 FGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000093317183 700450286 /nfs/dbraw/zinc/45/02/86/700450286.db2.gz FTYMURHQNUSVMP-GOSISDBHSA-N 1 1 350.478 3.443 20 10 FGCDMO COc1ccc([C@H](CO)[N@H+](C)Cc2cccc(Br)c2O)cc1 ZINC000093415603 700451680 /nfs/dbraw/zinc/45/16/80/700451680.db2.gz KOJSIJFAOPYGBT-INIZCTEOSA-N 1 1 366.255 3.329 20 10 FGCDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cccc(Br)c2O)cc1 ZINC000093415603 700451682 /nfs/dbraw/zinc/45/16/82/700451682.db2.gz KOJSIJFAOPYGBT-INIZCTEOSA-N 1 1 366.255 3.329 20 10 FGCDMO C[N@@H+](CCNC(=O)NCCCSc1nccs1)Cc1ccccc1 ZINC000152710347 704971809 /nfs/dbraw/zinc/97/18/09/704971809.db2.gz CWVQMIXNCABYSR-UHFFFAOYSA-N 1 1 364.540 3.057 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)COCC(C)C ZINC000174425481 705503983 /nfs/dbraw/zinc/50/39/83/705503983.db2.gz ULWJMPBUYQZLJL-OAHLLOKOSA-N 1 1 360.292 3.010 20 10 FGCDMO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(O)c1O ZINC000182501186 705846705 /nfs/dbraw/zinc/84/67/05/705846705.db2.gz ZFANGCOWOFJMEA-CJNGLKHVSA-N 1 1 360.479 3.281 20 10 FGCDMO CCS(=O)(=O)C1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000194356090 713519594 /nfs/dbraw/zinc/51/95/94/713519594.db2.gz WQTXZEOUDDYUKA-UHFFFAOYSA-N 1 1 353.528 3.397 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245720453 713610697 /nfs/dbraw/zinc/61/06/97/713610697.db2.gz HVYQCXOOSUUVAN-VQTJNVASSA-N 1 1 364.555 3.465 20 10 FGCDMO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(O)c1O ZINC000248423521 713649648 /nfs/dbraw/zinc/64/96/48/713649648.db2.gz ZFANGCOWOFJMEA-XJKSGUPXSA-N 1 1 360.479 3.281 20 10 FGCDMO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cccc(Br)c1O)C2 ZINC000779191473 724398945 /nfs/dbraw/zinc/39/89/45/724398945.db2.gz AAKLEDIDIXTIIT-GOSISDBHSA-N 1 1 373.250 3.251 20 10 FGCDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cccc(Br)c1O)C2 ZINC000779191473 724398947 /nfs/dbraw/zinc/39/89/47/724398947.db2.gz AAKLEDIDIXTIIT-GOSISDBHSA-N 1 1 373.250 3.251 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(F)cc2F)c1 ZINC000756638820 722968059 /nfs/dbraw/zinc/96/80/59/722968059.db2.gz RVMHJQJIKIDROW-NSHDSACASA-N 1 1 351.349 3.187 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@@H+](C)Cc2cccc(C(N)=O)c2)c1 ZINC000781897146 724608658 /nfs/dbraw/zinc/60/86/58/724608658.db2.gz CRTLFQAJQVPCGG-UHFFFAOYSA-N 1 1 363.255 3.194 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)Cc2cccc(C(N)=O)c2)c1 ZINC000781897146 724608661 /nfs/dbraw/zinc/60/86/61/724608661.db2.gz CRTLFQAJQVPCGG-UHFFFAOYSA-N 1 1 363.255 3.194 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2cccc(C(N)=O)c2)c1 ZINC000781897146 724608663 /nfs/dbraw/zinc/60/86/63/724608663.db2.gz CRTLFQAJQVPCGG-UHFFFAOYSA-N 1 1 363.255 3.194 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000781911588 724611113 /nfs/dbraw/zinc/61/11/13/724611113.db2.gz NEUHRRWNBFDZRN-UHFFFAOYSA-N 1 1 356.260 3.048 20 10 FGCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731364862 722474741 /nfs/dbraw/zinc/47/47/41/722474741.db2.gz PYKMHGPBPKGUEL-OAHLLOKOSA-N 1 1 352.498 3.201 20 10 FGCDMO COc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c(Br)cc1O ZINC000733327276 722495758 /nfs/dbraw/zinc/49/57/58/722495758.db2.gz OZMLGPHZZBPSOF-UHFFFAOYSA-N 1 1 364.239 3.388 20 10 FGCDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000740856907 722538483 /nfs/dbraw/zinc/53/84/83/722538483.db2.gz XNSOIAYVMJGWIV-AWEZNQCLSA-N 1 1 361.463 3.035 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000754729948 722945067 /nfs/dbraw/zinc/94/50/67/722945067.db2.gz HJUOYJAAFRSAKM-CQSZACIVSA-N 1 1 350.459 3.056 20 10 FGCDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754742663 722945195 /nfs/dbraw/zinc/94/51/95/722945195.db2.gz WJBPJCSJBMXOQI-CQSZACIVSA-N 1 1 367.511 3.179 20 10 FGCDMO COC1(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CCOCC1 ZINC000756761972 722969751 /nfs/dbraw/zinc/96/97/51/722969751.db2.gz SBFHQKOOAGCJMZ-SNVBAGLBSA-N 1 1 362.239 3.140 20 10 FGCDMO C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Br)c(F)cc1O ZINC000756775415 722969909 /nfs/dbraw/zinc/96/99/09/722969909.db2.gz HFFFLNVMVWTQFL-RQJHMYQMSA-N 1 1 360.145 3.258 20 10 FGCDMO COc1cccc(O)c1C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000792196659 723320555 /nfs/dbraw/zinc/32/05/55/723320555.db2.gz RYDFZTNEEHWMFN-UHFFFAOYSA-N 1 1 372.284 3.219 20 10 FGCDMO COc1cccc(O)c1C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000792196659 723320556 /nfs/dbraw/zinc/32/05/56/723320556.db2.gz RYDFZTNEEHWMFN-UHFFFAOYSA-N 1 1 372.284 3.219 20 10 FGCDMO C[N@H+](Cc1cc(Br)ccc1O)C[C@H]1COc2ccccc2O1 ZINC000768182205 723649541 /nfs/dbraw/zinc/64/95/41/723649541.db2.gz WOSVGOJOGGXZPH-AWEZNQCLSA-N 1 1 364.239 3.427 20 10 FGCDMO COc1cccc(O)c1C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768862336 723669958 /nfs/dbraw/zinc/66/99/58/723669958.db2.gz ADXJOWHFQXTLHK-UHFFFAOYSA-N 1 1 350.459 3.232 20 10 FGCDMO Cn1nccc1[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000768940441 723672692 /nfs/dbraw/zinc/67/26/92/723672692.db2.gz JRBXPTNQTYRERV-LBPRGKRZSA-N 1 1 350.260 3.268 20 10 FGCDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000768940441 723672693 /nfs/dbraw/zinc/67/26/93/723672693.db2.gz JRBXPTNQTYRERV-LBPRGKRZSA-N 1 1 350.260 3.268 20 10 FGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000769196426 723679293 /nfs/dbraw/zinc/67/92/93/723679293.db2.gz WCHALUJBNQDXOU-AWEZNQCLSA-N 1 1 350.459 3.138 20 10 FGCDMO COc1cccc(O)c1C[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769386521 723683914 /nfs/dbraw/zinc/68/39/14/723683914.db2.gz ASZXUEDNSIIEJD-KBPBESRZSA-N 1 1 350.459 3.231 20 10 FGCDMO COCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCCC1 ZINC000775083552 723959318 /nfs/dbraw/zinc/95/93/18/723959318.db2.gz YMJZIBSGUZMWEP-UHFFFAOYSA-N 1 1 352.431 3.386 20 10 FGCDMO CCC[C@]1(CO)CCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000775175035 723968530 /nfs/dbraw/zinc/96/85/30/723968530.db2.gz FKTHCSFSMYVVQH-MRXNPFEDSA-N 1 1 358.276 3.290 20 10 FGCDMO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc2c(cc1O)CCCC2 ZINC000800850498 724237372 /nfs/dbraw/zinc/23/73/72/724237372.db2.gz VWJVEZVUNADAPZ-UHFFFAOYSA-N 1 1 358.507 3.471 20 10 FGCDMO COC(=O)[C@@H]1[C@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C1(F)F ZINC000787769359 725038045 /nfs/dbraw/zinc/03/80/45/725038045.db2.gz DUTUVNNFWPBBGH-IRXDYDNUSA-N 1 1 352.425 3.163 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)Cc2ccc(C)cn2)c1O ZINC000789595935 725138079 /nfs/dbraw/zinc/13/80/79/725138079.db2.gz ZRIHGGFBDZNOBF-UHFFFAOYSA-N 1 1 351.244 3.499 20 10 FGCDMO CCCC[N@H+](C)C[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000808732655 725215305 /nfs/dbraw/zinc/21/53/05/725215305.db2.gz MYNLNFBXWAUHIP-IRXDYDNUSA-N 1 1 351.510 3.433 20 10 FGCDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000808732655 725215306 /nfs/dbraw/zinc/21/53/06/725215306.db2.gz MYNLNFBXWAUHIP-IRXDYDNUSA-N 1 1 351.510 3.433 20 10 FGCDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741385 725264096 /nfs/dbraw/zinc/26/40/96/725264096.db2.gz OCVYMJYUNRPTDX-INIZCTEOSA-N 1 1 372.340 3.299 20 10 FGCDMO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000814300044 726954619 /nfs/dbraw/zinc/95/46/19/726954619.db2.gz FUISMWGCPGZNLL-LBPRGKRZSA-N 1 1 357.292 3.105 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000816492147 727167729 /nfs/dbraw/zinc/16/77/29/727167729.db2.gz JMDQIKVJKGKVOD-UHFFFAOYSA-N 1 1 350.825 3.102 20 10 FGCDMO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816522038 727171560 /nfs/dbraw/zinc/17/15/60/727171560.db2.gz HUQASZSEDWQBQG-CZUORRHYSA-N 1 1 353.825 3.006 20 10 FGCDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816522038 727171562 /nfs/dbraw/zinc/17/15/62/727171562.db2.gz HUQASZSEDWQBQG-CZUORRHYSA-N 1 1 353.825 3.006 20 10 FGCDMO COc1ccccc1N1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1=O ZINC000816556380 727175283 /nfs/dbraw/zinc/17/52/83/727175283.db2.gz HRPJDAKYLIPDHZ-CQSZACIVSA-N 1 1 364.804 3.088 20 10 FGCDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816574926 727177080 /nfs/dbraw/zinc/17/70/80/727177080.db2.gz WVYYRDZLEFCLQA-CQSZACIVSA-N 1 1 352.356 3.046 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000816574061 727177243 /nfs/dbraw/zinc/17/72/43/727177243.db2.gz VJVLDMJCDOORPY-UHFFFAOYSA-N 1 1 364.852 3.492 20 10 FGCDMO C[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)Cc1ccccc1 ZINC000816624831 727181564 /nfs/dbraw/zinc/18/15/64/727181564.db2.gz IVDSKIFFUNDXST-MRXNPFEDSA-N 1 1 350.256 3.190 20 10 FGCDMO COc1cc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)ccc1Cl ZINC000816664437 727187153 /nfs/dbraw/zinc/18/71/53/727187153.db2.gz MCNGKVDEIBPMKF-UHFFFAOYSA-N 1 1 366.801 3.303 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](CCO)CC2)c1O ZINC000817419230 727250053 /nfs/dbraw/zinc/25/00/53/727250053.db2.gz RCXPZUKFOHLAHI-GFCCVEGCSA-N 1 1 358.276 3.148 20 10 FGCDMO CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817975557 727289997 /nfs/dbraw/zinc/28/99/97/727289997.db2.gz WMYXWOXYBXWHSX-HNNXBMFYSA-N 1 1 360.420 3.468 20 10 FGCDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1)C(N)=O ZINC000824608630 729350194 /nfs/dbraw/zinc/35/01/94/729350194.db2.gz KTOLIJAPPQVVGM-GFCCVEGCSA-N 1 1 369.303 3.268 20 10 FGCDMO CC(C)(C[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1)C(N)=O ZINC000824608630 729350196 /nfs/dbraw/zinc/35/01/96/729350196.db2.gz KTOLIJAPPQVVGM-GFCCVEGCSA-N 1 1 369.303 3.268 20 10 FGCDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1)C(N)=O ZINC000824608630 729350197 /nfs/dbraw/zinc/35/01/97/729350197.db2.gz KTOLIJAPPQVVGM-GFCCVEGCSA-N 1 1 369.303 3.268 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@]3(CCOC3)C2)c1O ZINC000825133480 729372309 /nfs/dbraw/zinc/37/23/09/729372309.db2.gz HGFYIGSMCXRFJM-INIZCTEOSA-N 1 1 356.260 3.166 20 10 FGCDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cccc(OC)c3O)C2)s1 ZINC000827941042 729437444 /nfs/dbraw/zinc/43/74/44/729437444.db2.gz BJKRVYDLSTVZLW-CYBMUJFWSA-N 1 1 362.451 3.024 20 10 FGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)c1O ZINC000828101201 729439838 /nfs/dbraw/zinc/43/98/38/729439838.db2.gz VZYZMMBGIAJUFT-UHFFFAOYSA-N 1 1 358.873 3.303 20 10 FGCDMO Cc1cc(Cl)cc(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)c1O ZINC000828101201 729439839 /nfs/dbraw/zinc/43/98/39/729439839.db2.gz VZYZMMBGIAJUFT-UHFFFAOYSA-N 1 1 358.873 3.303 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCO[C@]4(CCSC4)C3)cc2)CC1 ZINC000829250578 729470130 /nfs/dbraw/zinc/47/01/30/729470130.db2.gz SIHAMYBXHJEYDZ-HXUWFJFHSA-N 1 1 362.539 3.010 20 10 FGCDMO C[NH+](C)[C@H]1CCc2cc(NS(=O)(=O)c3cccc4nsnc43)ccc21 ZINC000830105117 729536685 /nfs/dbraw/zinc/53/66/85/729536685.db2.gz CBUGXWHEBOECMR-HNNXBMFYSA-N 1 1 374.491 3.041 20 10 FGCDMO Cc1ccoc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830544015 729570071 /nfs/dbraw/zinc/57/00/71/729570071.db2.gz IXHWMTSECYGJJQ-MRXNPFEDSA-N 1 1 362.857 3.270 20 10 FGCDMO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000835083127 729857577 /nfs/dbraw/zinc/85/75/77/729857577.db2.gz ZHYYBPHFFJYXOJ-ZDUSSCGKSA-N 1 1 370.877 3.161 20 10 FGCDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C3=CC(=O)CS3)C2)s1 ZINC000846653098 730970764 /nfs/dbraw/zinc/97/07/64/730970764.db2.gz ZUWRLCMYXCSQPC-CYBMUJFWSA-N 1 1 350.509 3.418 20 10 FGCDMO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC000848918951 731220549 /nfs/dbraw/zinc/22/05/49/731220549.db2.gz POYFAVRDEMZJGW-UHFFFAOYSA-N 1 1 350.434 3.364 20 10 FGCDMO COc1cccc(OC)c1C[NH2+]Cc1cccc(Br)c1O ZINC000850356516 731347587 /nfs/dbraw/zinc/34/75/87/731347587.db2.gz WQRDGPANQMMLOQ-UHFFFAOYSA-N 1 1 352.228 3.462 20 10 FGCDMO COc1cc(C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c(O)cc1C ZINC000853520361 731716991 /nfs/dbraw/zinc/71/69/91/731716991.db2.gz NXECVLMTRMLIJN-UHFFFAOYSA-N 1 1 352.475 3.444 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cn(C)nc3Cl)cc2F)C[C@@H](C)O1 ZINC000856766090 732056425 /nfs/dbraw/zinc/05/64/25/732056425.db2.gz QTNMKKJXXWICOJ-CHWSQXEVSA-N 1 1 366.868 3.116 20 10 FGCDMO CC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C(=O)NCc1cccs1 ZINC000858182289 732189981 /nfs/dbraw/zinc/18/99/81/732189981.db2.gz NXBKQFJCILXOJB-INIZCTEOSA-N 1 1 367.465 3.277 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCCN2CC(F)F)c1 ZINC000858230835 732194792 /nfs/dbraw/zinc/19/47/92/732194792.db2.gz FIZRYBKMKMWLTB-GFCCVEGCSA-N 1 1 363.246 3.282 20 10 FGCDMO OCCOC1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCC(F)(F)CC1 ZINC000858239935 732195988 /nfs/dbraw/zinc/19/59/88/732195988.db2.gz ZXQGVCIBBGBHCG-UHFFFAOYSA-N 1 1 367.795 3.231 20 10 FGCDMO C[NH+]1CCC2(CCC[N@H+](Cc3c([O-])cccc3Br)C2)CC1 ZINC000862353171 732814274 /nfs/dbraw/zinc/81/42/74/732814274.db2.gz VJAXMXJAOISJQI-UHFFFAOYSA-N 1 1 353.304 3.463 20 10 FGCDMO C[NH+]1CCC2(CCC[N@@H+](Cc3c([O-])cccc3Br)C2)CC1 ZINC000862353171 732814276 /nfs/dbraw/zinc/81/42/76/732814276.db2.gz VJAXMXJAOISJQI-UHFFFAOYSA-N 1 1 353.304 3.463 20 10 FGCDMO Oc1cccc(Br)c1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000862365215 732816355 /nfs/dbraw/zinc/81/63/55/732816355.db2.gz MQRULKYBQTXRGB-ZDUSSCGKSA-N 1 1 368.193 3.434 20 10 FGCDMO OC[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@H]1C(F)(F)F ZINC000862364616 732816587 /nfs/dbraw/zinc/81/65/87/732816587.db2.gz FLDZITRSSBZHGD-MWLCHTKSSA-N 1 1 368.193 3.147 20 10 FGCDMO CN(C)c1cc(F)c(C[NH2+]Cc2ccc(Br)cn2)cc1F ZINC000865810039 733273769 /nfs/dbraw/zinc/27/37/69/733273769.db2.gz JYIMARQUSKJMGZ-UHFFFAOYSA-N 1 1 356.214 3.478 20 10 FGCDMO C[C@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)c1ccccc1O ZINC000870988202 733905888 /nfs/dbraw/zinc/90/58/88/733905888.db2.gz INLRNDSUWLQAFZ-QMMMGPOBSA-N 1 1 367.268 3.310 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645099 736698435 /nfs/dbraw/zinc/69/84/35/736698435.db2.gz AMVPIBUIHIFLFY-INIZCTEOSA-N 1 1 363.255 3.341 20 10 FGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645431 736699359 /nfs/dbraw/zinc/69/93/59/736699359.db2.gz KWPIRIVQZCNVCK-HNNXBMFYSA-N 1 1 363.255 3.341 20 10 FGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645431 736699362 /nfs/dbraw/zinc/69/93/62/736699362.db2.gz KWPIRIVQZCNVCK-HNNXBMFYSA-N 1 1 363.255 3.341 20 10 FGCDMO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2c(O)cccc2F)c1 ZINC000886509885 739263597 /nfs/dbraw/zinc/26/35/97/739263597.db2.gz IBAOMDHWWSFLJH-CYBMUJFWSA-N 1 1 366.458 3.069 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000897615748 742695490 /nfs/dbraw/zinc/69/54/90/742695490.db2.gz DMYZJTRXZRLNJH-NSHDSACASA-N 1 1 353.344 3.199 20 10 FGCDMO CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](CC)c2ccc(F)cc2O)c1 ZINC000903234383 743826992 /nfs/dbraw/zinc/82/69/92/743826992.db2.gz MOBACXVVJWTMQX-KRWDZBQOSA-N 1 1 366.458 3.070 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1cc(Br)c(F)cc1O ZINC000903391457 743844135 /nfs/dbraw/zinc/84/41/35/743844135.db2.gz YPOQUYASIUKJDQ-ZUZCIYMTSA-N 1 1 374.250 3.283 20 10 FGCDMO C[C@@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1c(O)cccc1F ZINC000903425625 743849273 /nfs/dbraw/zinc/84/92/73/743849273.db2.gz LCRXVOFPSSYYNS-GFCCVEGCSA-N 1 1 364.442 3.286 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)cc2c1OCOC2 ZINC000073021399 494306963 /nfs/dbraw/zinc/30/69/63/494306963.db2.gz RQWUJFJJKOKXSV-UHFFFAOYSA-N 1 1 372.440 3.161 20 10 FGCDMO CCOc1cccc(C[N@@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1O ZINC000092644975 494693952 /nfs/dbraw/zinc/69/39/52/494693952.db2.gz GYWGLWRIBAVTFR-UHFFFAOYSA-N 1 1 370.497 3.299 20 10 FGCDMO Cc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)n1-c1ccccn1 ZINC000119230502 495122471 /nfs/dbraw/zinc/12/24/71/495122471.db2.gz FKQURGCJFYJTGV-HKUYNNGSSA-N 1 1 352.482 3.045 20 10 FGCDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000154916537 495771497 /nfs/dbraw/zinc/77/14/97/495771497.db2.gz XYVRUNINHGYFDM-QZTJIDSGSA-N 1 1 362.537 3.103 20 10 FGCDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000177826094 496212964 /nfs/dbraw/zinc/21/29/64/496212964.db2.gz KUJQZIHKUKRGKK-SFHVURJKSA-N 1 1 367.541 3.140 20 10 FGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2nnc3n2CCCC3)c1O ZINC000187546541 496485455 /nfs/dbraw/zinc/48/54/55/496485455.db2.gz JHNMXYZOXOBKTI-LLVKDONJSA-N 1 1 365.275 3.242 20 10 FGCDMO C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@@]1=O ZINC000277699382 496858026 /nfs/dbraw/zinc/85/80/26/496858026.db2.gz RFJCIDVJCHXSDW-CPJLOUKISA-N 1 1 359.491 3.314 20 10 FGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@@]1=O ZINC000277699382 496858033 /nfs/dbraw/zinc/85/80/33/496858033.db2.gz RFJCIDVJCHXSDW-CPJLOUKISA-N 1 1 359.491 3.314 20 10 FGCDMO COc1ccc([C@@H]2[C@@H](CNC(=O)Cc3ccc(N)cc3)CCC[N@H+]2C)cc1 ZINC000237300427 497216925 /nfs/dbraw/zinc/21/69/25/497216925.db2.gz MVRSLLICLAIDFE-XMSQKQJNSA-N 1 1 367.493 3.019 20 10 FGCDMO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)CC2 ZINC000193019646 497277046 /nfs/dbraw/zinc/27/70/46/497277046.db2.gz COYDRTRDEBXBNF-ZJUUUORDSA-N 1 1 371.268 3.103 20 10 FGCDMO C[C@@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1cccs1 ZINC000255572543 497369633 /nfs/dbraw/zinc/36/96/33/497369633.db2.gz SDSMBTQPYICTDR-NVXWUHKLSA-N 1 1 374.506 3.312 20 10 FGCDMO C[C@@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1cccs1 ZINC000255572543 497369640 /nfs/dbraw/zinc/36/96/40/497369640.db2.gz SDSMBTQPYICTDR-NVXWUHKLSA-N 1 1 374.506 3.312 20 10 FGCDMO C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272633047 497685973 /nfs/dbraw/zinc/68/59/73/497685973.db2.gz KQLCTRAXMRCPND-OJYYBLKUSA-N 1 1 366.461 3.138 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[NH2+]Cc2nnc3n2CCC3)cc1 ZINC000296374505 498017758 /nfs/dbraw/zinc/01/77/58/498017758.db2.gz KDQVSLLBQNLZHY-UHFFFAOYSA-N 1 1 353.495 3.212 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000296456486 498051271 /nfs/dbraw/zinc/05/12/71/498051271.db2.gz NAVWUPGZGZFMKH-JTQLQIEISA-N 1 1 354.328 3.443 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](c4nnc(C)[nH]4)C3)cc2)CC1 ZINC000296679849 498150252 /nfs/dbraw/zinc/15/02/52/498150252.db2.gz BARLCDSAJWLPJZ-SFHVURJKSA-N 1 1 369.513 3.108 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4nc(C)n[nH]4)C3)cc2)CC1 ZINC000296679849 498150255 /nfs/dbraw/zinc/15/02/55/498150255.db2.gz BARLCDSAJWLPJZ-SFHVURJKSA-N 1 1 369.513 3.108 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](c4nc(C)n[nH]4)C3)cc2)CC1 ZINC000296679849 498150261 /nfs/dbraw/zinc/15/02/61/498150261.db2.gz BARLCDSAJWLPJZ-SFHVURJKSA-N 1 1 369.513 3.108 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4n[nH]c(C)n4)C3)cc2)CC1 ZINC000296679849 498150267 /nfs/dbraw/zinc/15/02/67/498150267.db2.gz BARLCDSAJWLPJZ-SFHVURJKSA-N 1 1 369.513 3.108 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](c4n[nH]c(C)n4)C3)cc2)CC1 ZINC000296679849 498150271 /nfs/dbraw/zinc/15/02/71/498150271.db2.gz BARLCDSAJWLPJZ-SFHVURJKSA-N 1 1 369.513 3.108 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+]Cc3cn(C(C)C)nc3C)cc2F)CC1 ZINC000281510900 498176645 /nfs/dbraw/zinc/17/66/45/498176645.db2.gz XJYUQYGZAKFYEA-UHFFFAOYSA-N 1 1 373.520 3.343 20 10 FGCDMO CC[C@@H]([NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)c1ccc(F)cc1O ZINC000286200454 498321998 /nfs/dbraw/zinc/32/19/98/498321998.db2.gz RPYOSIDJFNGIDC-MJGOQNOKSA-N 1 1 369.440 3.411 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](c3ncc4n3CCCC4)C1)OCO2 ZINC000281960446 498335499 /nfs/dbraw/zinc/33/54/99/498335499.db2.gz QSUVCOKOOWROCH-CQSZACIVSA-N 1 1 355.438 3.033 20 10 FGCDMO CC[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc(F)cc1O ZINC000286242123 498336060 /nfs/dbraw/zinc/33/60/60/498336060.db2.gz UAHYAJLMBMEACS-KRWDZBQOSA-N 1 1 351.443 3.317 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000294966288 498865618 /nfs/dbraw/zinc/86/56/18/498865618.db2.gz LIJRHVHYYWWZKF-GOSISDBHSA-N 1 1 374.525 3.465 20 10 FGCDMO COc1c(O)c(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000295137250 498922469 /nfs/dbraw/zinc/92/24/69/498922469.db2.gz YZXZPBXCULILLW-HNNXBMFYSA-N 1 1 366.801 3.128 20 10 FGCDMO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295176483 498933939 /nfs/dbraw/zinc/93/39/39/498933939.db2.gz MCPAAGXYKMYDIX-GOSISDBHSA-N 1 1 372.582 3.110 20 10 FGCDMO COc1cc(O)c(C[NH2+][C@@H](C)c2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000370110849 499182251 /nfs/dbraw/zinc/18/22/51/499182251.db2.gz INMPSOOKHLPNAO-NSHDSACASA-N 1 1 373.384 3.449 20 10 FGCDMO CCN(CC)c1ccc(CNC(=O)NCc2c[nH+]c3n2CCCC3)cc1 ZINC000367414619 499196446 /nfs/dbraw/zinc/19/64/46/499196446.db2.gz FTSOGRBHANKCIF-UHFFFAOYSA-N 1 1 355.486 3.065 20 10 FGCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(N2CCCCC2)cc1 ZINC000371470998 499331387 /nfs/dbraw/zinc/33/13/87/499331387.db2.gz QCJNTCUAOUQWOW-BHIFYINESA-N 1 1 357.542 3.360 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000373536303 499475692 /nfs/dbraw/zinc/47/56/92/499475692.db2.gz VNRIHEHATUGOKG-IBGZPJMESA-N 1 1 358.825 3.150 20 10 FGCDMO COc1ccc(N2CCC([N@H+](C)Cc3cn(C(C)(C)C)nn3)CC2)cc1 ZINC000377369639 499684146 /nfs/dbraw/zinc/68/41/46/499684146.db2.gz RMVLNVDPQOPOPU-UHFFFAOYSA-N 1 1 357.502 3.143 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3cn(C(C)(C)C)nn3)CC2)cc1 ZINC000377369639 499684147 /nfs/dbraw/zinc/68/41/47/499684147.db2.gz RMVLNVDPQOPOPU-UHFFFAOYSA-N 1 1 357.502 3.143 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@]2(C)CCCO2)C1 ZINC000435821655 501034063 /nfs/dbraw/zinc/03/40/63/501034063.db2.gz GYFSRNKFIZAMFX-JOCHJYFZSA-N 1 1 369.509 3.093 20 10 FGCDMO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)[C@H]1CCOC1 ZINC000462978133 502648099 /nfs/dbraw/zinc/64/80/99/502648099.db2.gz IRKGEZPRBGMJGJ-KRWDZBQOSA-N 1 1 369.509 3.045 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000490406607 503168594 /nfs/dbraw/zinc/16/85/94/503168594.db2.gz HJGKAJOIQAZDPE-TWOQFEAHSA-N 1 1 368.525 3.358 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)ccc21 ZINC000606339697 507368269 /nfs/dbraw/zinc/36/82/69/507368269.db2.gz BCDDAWRPJUIWKX-NRFANRHFSA-N 1 1 371.525 3.317 20 10 FGCDMO COc1cccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC(C)C)c1O ZINC000826216455 608570146 /nfs/dbraw/zinc/57/01/46/608570146.db2.gz ZQPOSNVJEYBRFJ-UHFFFAOYSA-N 1 1 367.453 3.239 20 10 FGCDMO CS[C@H](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000128186224 700771807 /nfs/dbraw/zinc/77/18/07/700771807.db2.gz GMQSMICBAPHTEX-IUODEOHRSA-N 1 1 356.919 3.268 20 10 FGCDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCSc1nccs1 ZINC000153755317 705011134 /nfs/dbraw/zinc/01/11/34/705011134.db2.gz RIMPKWCQAHCAKH-CQSZACIVSA-N 1 1 356.561 3.189 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000164462700 705329395 /nfs/dbraw/zinc/32/93/95/705329395.db2.gz PXZVKBPNEOJWLV-OAHLLOKOSA-N 1 1 350.459 3.150 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1 ZINC000180654258 705751490 /nfs/dbraw/zinc/75/14/90/705751490.db2.gz RTOHKSIITUATHM-OAHLLOKOSA-N 1 1 350.459 3.232 20 10 FGCDMO C[N@H+](Cc1cn2c(n1)CCCC2)Cc1cc(Br)ccc1O ZINC000373883821 713879914 /nfs/dbraw/zinc/87/99/14/713879914.db2.gz VTUXJRLBEXBADB-UHFFFAOYSA-N 1 1 350.260 3.320 20 10 FGCDMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)n1 ZINC000374256224 713908461 /nfs/dbraw/zinc/90/84/61/713908461.db2.gz MPLKPKLIFDRWFD-OAHLLOKOSA-N 1 1 365.275 3.028 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1O ZINC000779431954 724413249 /nfs/dbraw/zinc/41/32/49/724413249.db2.gz IKBJHPIMVWKZET-UONOGXRCSA-N 1 1 372.303 3.392 20 10 FGCDMO CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000769516937 723688565 /nfs/dbraw/zinc/68/85/65/723688565.db2.gz VQGHWTBEJRQHIH-HNNXBMFYSA-N 1 1 371.319 3.087 20 10 FGCDMO O=C(NCc1cc(Br)ccc1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000804734600 724546563 /nfs/dbraw/zinc/54/65/63/724546563.db2.gz SFBGKZDSMJNJKO-OAHLLOKOSA-N 1 1 367.287 3.178 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000781632235 724580807 /nfs/dbraw/zinc/58/08/07/724580807.db2.gz QICFTWNGFDHTQC-QGZVFWFLSA-N 1 1 350.256 3.460 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000781636402 724581563 /nfs/dbraw/zinc/58/15/63/724581563.db2.gz WNJQYRGSBPSIMZ-AWEZNQCLSA-N 1 1 370.287 3.281 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000781907779 724610750 /nfs/dbraw/zinc/61/07/50/724610750.db2.gz IOGDVQIIYKHLKW-ZIAGYGMSSA-N 1 1 358.301 3.169 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000781907779 724610753 /nfs/dbraw/zinc/61/07/53/724610753.db2.gz IOGDVQIIYKHLKW-ZIAGYGMSSA-N 1 1 358.301 3.169 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000781909922 724611428 /nfs/dbraw/zinc/61/14/28/724611428.db2.gz GEDGBYYAVMEQLF-CQSZACIVSA-N 1 1 367.287 3.050 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000781909922 724611430 /nfs/dbraw/zinc/61/14/30/724611430.db2.gz GEDGBYYAVMEQLF-CQSZACIVSA-N 1 1 367.287 3.050 20 10 FGCDMO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Br)c(F)cc1O ZINC000756783752 722970041 /nfs/dbraw/zinc/97/00/41/722970041.db2.gz IRQIRHHXUDSJHD-KSBSHMNSSA-N 1 1 360.145 3.258 20 10 FGCDMO COCCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000759959627 723031047 /nfs/dbraw/zinc/03/10/47/723031047.db2.gz WYMNTNMSUIEXKJ-INIZCTEOSA-N 1 1 368.905 3.189 20 10 FGCDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761213040 723133967 /nfs/dbraw/zinc/13/39/67/723133967.db2.gz BNGZDTWTKUCHKZ-CYBMUJFWSA-N 1 1 355.862 3.465 20 10 FGCDMO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F)S(C)(=O)=O ZINC000792826754 723371924 /nfs/dbraw/zinc/37/19/24/723371924.db2.gz KMEKYERWZXBGAW-NWDGAFQWSA-N 1 1 366.449 3.025 20 10 FGCDMO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F)S(C)(=O)=O ZINC000792826754 723371927 /nfs/dbraw/zinc/37/19/27/723371927.db2.gz KMEKYERWZXBGAW-NWDGAFQWSA-N 1 1 366.449 3.025 20 10 FGCDMO NC(=O)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccc(Br)c1 ZINC000793267052 723418678 /nfs/dbraw/zinc/41/86/78/723418678.db2.gz SBUYRLBSIHNSCY-AWEZNQCLSA-N 1 1 369.646 3.124 20 10 FGCDMO CC[C@H](C)[C@@H](OC)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000793689961 723461141 /nfs/dbraw/zinc/46/11/41/723461141.db2.gz QXOYEPNRTPSQSX-FDQGKXFDSA-N 1 1 368.905 3.187 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000766225498 723562853 /nfs/dbraw/zinc/56/28/53/723562853.db2.gz REEVAWYTZMCLMB-UHFFFAOYSA-N 1 1 360.145 3.161 20 10 FGCDMO C[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766584770 723582384 /nfs/dbraw/zinc/58/23/84/723582384.db2.gz OJZBIQSAFKETNH-AUSJPIAWSA-N 1 1 363.933 3.310 20 10 FGCDMO C[C@H](N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766584770 723582385 /nfs/dbraw/zinc/58/23/85/723582385.db2.gz OJZBIQSAFKETNH-AUSJPIAWSA-N 1 1 363.933 3.310 20 10 FGCDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000795695835 723606006 /nfs/dbraw/zinc/60/60/06/723606006.db2.gz VYTRJMKFWSAEBL-KRWDZBQOSA-N 1 1 357.372 3.198 20 10 FGCDMO C[N@@H+](Cc1cccc(Br)c1O)C[C@@H]1COc2ccccc2O1 ZINC000768181505 723649497 /nfs/dbraw/zinc/64/94/97/723649497.db2.gz PGHTZZWJYTZKON-CYBMUJFWSA-N 1 1 364.239 3.427 20 10 FGCDMO C[N@H+](Cc1cccc(Br)c1O)C[C@@H]1COc2ccccc2O1 ZINC000768181505 723649498 /nfs/dbraw/zinc/64/94/98/723649498.db2.gz PGHTZZWJYTZKON-CYBMUJFWSA-N 1 1 364.239 3.427 20 10 FGCDMO CC[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(F)cc1O ZINC000796715633 723651575 /nfs/dbraw/zinc/65/15/75/723651575.db2.gz HIJRCRJVVJAIJL-KRWDZBQOSA-N 1 1 351.443 3.436 20 10 FGCDMO CCOc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000768247243 723651662 /nfs/dbraw/zinc/65/16/62/723651662.db2.gz AJRNJPXHMHWTAU-HNNXBMFYSA-N 1 1 350.459 3.232 20 10 FGCDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768437971 723657534 /nfs/dbraw/zinc/65/75/34/723657534.db2.gz MAAAPXBPAZRFGJ-MRXNPFEDSA-N 1 1 364.239 3.213 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@@H](C)[C@H](O)C3)c2C)c1 ZINC000768770146 723666855 /nfs/dbraw/zinc/66/68/55/723666855.db2.gz SFKQNNPZMQTYFG-BFUOFWGJSA-N 1 1 358.507 3.311 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3C[C@@H](C)[C@H](O)C3)c2C)c1 ZINC000768770146 723666856 /nfs/dbraw/zinc/66/68/56/723666856.db2.gz SFKQNNPZMQTYFG-BFUOFWGJSA-N 1 1 358.507 3.311 20 10 FGCDMO O=C(CC[C@H]1CCCO1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911108 723671891 /nfs/dbraw/zinc/67/18/91/723671891.db2.gz CAFIDTZJKMFKMY-IAGOWNOFSA-N 1 1 366.889 3.085 20 10 FGCDMO CCCCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768915060 723672136 /nfs/dbraw/zinc/67/21/36/723672136.db2.gz INKSUVAMYQDZIP-RHSMWYFYSA-N 1 1 368.905 3.331 20 10 FGCDMO CCN(Cc1cc(Br)ccc1O)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000769291355 723681527 /nfs/dbraw/zinc/68/15/27/723681527.db2.gz NYLQQBOAFGPHAN-BETUJISGSA-N 1 1 369.303 3.376 20 10 FGCDMO CC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCN1CC(F)F ZINC000769515013 723688507 /nfs/dbraw/zinc/68/85/07/723688507.db2.gz QDMNJRWGPABVEZ-ZDUSSCGKSA-N 1 1 363.246 3.316 20 10 FGCDMO CC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCN1CC(F)F ZINC000769515013 723688508 /nfs/dbraw/zinc/68/85/08/723688508.db2.gz QDMNJRWGPABVEZ-ZDUSSCGKSA-N 1 1 363.246 3.316 20 10 FGCDMO C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798184412 723911665 /nfs/dbraw/zinc/91/16/65/723911665.db2.gz USUNQGCGTSGZCO-CQSZACIVSA-N 1 1 359.436 3.089 20 10 FGCDMO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1(CC)CC ZINC000775028631 723953697 /nfs/dbraw/zinc/95/36/97/723953697.db2.gz GJCRCJJWLLBVJV-GJZGRUSLSA-N 1 1 352.431 3.382 20 10 FGCDMO C[NH+]1CCC2(CCC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000798956753 723979366 /nfs/dbraw/zinc/97/93/66/723979366.db2.gz NCJTWKSCMWPOOM-UHFFFAOYSA-N 1 1 353.850 3.262 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)Cc1cnc(OC)nc1C ZINC000799125075 723989581 /nfs/dbraw/zinc/98/95/81/723989581.db2.gz FAPFGONKNBYWEQ-UHFFFAOYSA-N 1 1 366.259 3.284 20 10 FGCDMO Oc1ccccc1C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)C[C@H]1CCCO1 ZINC000799729860 724088512 /nfs/dbraw/zinc/08/85/12/724088512.db2.gz XIJLLABYPKQDEO-CQSZACIVSA-N 1 1 355.360 3.315 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)C[C@H]1CCCO1 ZINC000799729860 724088519 /nfs/dbraw/zinc/08/85/19/724088519.db2.gz XIJLLABYPKQDEO-CQSZACIVSA-N 1 1 355.360 3.315 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](C(F)(F)F)C3(CCC3)C1)[C@@H](O)CO2 ZINC000800865020 724239652 /nfs/dbraw/zinc/23/96/52/724239652.db2.gz WRABIVJPRPWDEG-HOCLYGCPSA-N 1 1 357.372 3.373 20 10 FGCDMO C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000788257795 725053328 /nfs/dbraw/zinc/05/33/28/725053328.db2.gz QNWZHESVHWVOOT-SECBINFHSA-N 1 1 358.667 3.435 20 10 FGCDMO C[NH+]1CCC(CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805184410 725055105 /nfs/dbraw/zinc/05/51/05/725055105.db2.gz RYBUFWNZULHQIJ-UHFFFAOYSA-N 1 1 360.285 3.230 20 10 FGCDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cccc(Br)c1O ZINC000807416387 725160988 /nfs/dbraw/zinc/16/09/88/725160988.db2.gz DEJGOXGAPBDSBT-CYBMUJFWSA-N 1 1 355.276 3.035 20 10 FGCDMO CCC[N@H+](CCN1CCCCCC1)Cc1cc(OC)c(OC)cc1O ZINC000809787462 725268792 /nfs/dbraw/zinc/26/87/92/725268792.db2.gz DPDKLCFAPLITKT-UHFFFAOYSA-N 1 1 350.503 3.497 20 10 FGCDMO CCC[N@@H+](CCN1CCCCCC1)Cc1cc(OC)c(OC)cc1O ZINC000809787462 725268793 /nfs/dbraw/zinc/26/87/93/725268793.db2.gz DPDKLCFAPLITKT-UHFFFAOYSA-N 1 1 350.503 3.497 20 10 FGCDMO CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208031 725296834 /nfs/dbraw/zinc/29/68/34/725296834.db2.gz RLLLHMYNCJQEHB-MRXNPFEDSA-N 1 1 359.436 3.089 20 10 FGCDMO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(C(F)(F)F)c1[O-] ZINC000815578196 727084716 /nfs/dbraw/zinc/08/47/16/727084716.db2.gz JOBQWPTXLPZEQX-KGLIPLIRSA-N 1 1 360.420 3.299 20 10 FGCDMO COCC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816531823 727172205 /nfs/dbraw/zinc/17/22/05/727172205.db2.gz GTVROOVFUOBCCZ-UHFFFAOYSA-N 1 1 352.793 3.059 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000816532138 727172610 /nfs/dbraw/zinc/17/26/10/727172610.db2.gz SHTFZOZQIMJMHC-GOSISDBHSA-N 1 1 364.848 3.348 20 10 FGCDMO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCCN1 ZINC000817903184 727287605 /nfs/dbraw/zinc/28/76/05/727287605.db2.gz JNPBRIPIHIIGSS-KBXCAEBGSA-N 1 1 353.457 3.377 20 10 FGCDMO C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000817903184 727287607 /nfs/dbraw/zinc/28/76/07/727287607.db2.gz JNPBRIPIHIIGSS-KBXCAEBGSA-N 1 1 353.457 3.377 20 10 FGCDMO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824081008 729318949 /nfs/dbraw/zinc/31/89/49/729318949.db2.gz RCXBSZFYACRVOQ-UHFFFAOYSA-N 1 1 360.527 3.088 20 10 FGCDMO Fc1cc(C[N@H+]2CCC[C@]3(CCSC3)C2)ccc1N1CCOCC1 ZINC000825215255 729374813 /nfs/dbraw/zinc/37/48/13/729374813.db2.gz JFCLPJHEOMMHDE-IBGZPJMESA-N 1 1 350.503 3.381 20 10 FGCDMO CC1([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3O)C2)OCCO1 ZINC000825501148 729385545 /nfs/dbraw/zinc/38/55/45/729385545.db2.gz LKVMWELQKMEGAN-ZDUSSCGKSA-N 1 1 356.260 3.130 20 10 FGCDMO CCOC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000830544978 729570081 /nfs/dbraw/zinc/57/00/81/729570081.db2.gz VBFLZVMLYSACSL-MRXNPFEDSA-N 1 1 366.889 3.085 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)c(F)cc1O ZINC000842884227 730553605 /nfs/dbraw/zinc/55/36/05/730553605.db2.gz HHVQGRBNAKRHED-NOZJJQNGSA-N 1 1 373.266 3.344 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843126595 730588880 /nfs/dbraw/zinc/58/88/80/730588880.db2.gz LBUBYAAGNGEDOE-CHWSQXEVSA-N 1 1 353.850 3.165 20 10 FGCDMO CCC[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)Cc1ccccc1O ZINC000844301646 730700123 /nfs/dbraw/zinc/70/01/23/730700123.db2.gz VEVOITGTXSJXGD-UHFFFAOYSA-N 1 1 368.886 3.105 20 10 FGCDMO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)c1O ZINC000848551320 731180111 /nfs/dbraw/zinc/18/01/11/731180111.db2.gz JPKAYTQVFHVRCO-MWLCHTKSSA-N 1 1 366.259 3.095 20 10 FGCDMO [NH2+]=C(NCCc1cccs1)NCc1cccc(Br)c1O ZINC000849105465 731229877 /nfs/dbraw/zinc/22/98/77/731229877.db2.gz NXFQQUNDNYGYJD-UHFFFAOYSA-N 1 1 354.273 3.073 20 10 FGCDMO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000852469211 731587869 /nfs/dbraw/zinc/58/78/69/731587869.db2.gz UMKULLOWQNAWLS-GFCCVEGCSA-N 1 1 360.285 3.371 20 10 FGCDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000852469211 731587873 /nfs/dbraw/zinc/58/78/73/731587873.db2.gz UMKULLOWQNAWLS-GFCCVEGCSA-N 1 1 360.285 3.371 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1[O-] ZINC000852754048 731630414 /nfs/dbraw/zinc/63/04/14/731630414.db2.gz NLYOIINLNKHYFB-HNNXBMFYSA-N 1 1 350.890 3.460 20 10 FGCDMO O=c1nc(Cl)cc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000858405697 732211505 /nfs/dbraw/zinc/21/15/05/732211505.db2.gz NLBLLWORQLXGFN-LBPRGKRZSA-N 1 1 369.252 3.271 20 10 FGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C(c2ccnn2C)c2ccnn2C)c1O ZINC000858586649 732228898 /nfs/dbraw/zinc/22/88/98/732228898.db2.gz VXGLBDWPWPYQMV-LBPRGKRZSA-N 1 1 359.861 3.261 20 10 FGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1F ZINC000862365353 732816389 /nfs/dbraw/zinc/81/63/89/732816389.db2.gz PLQXISJBTAQDGP-HNNXBMFYSA-N 1 1 352.347 3.310 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1F ZINC000862365353 732816395 /nfs/dbraw/zinc/81/63/95/732816395.db2.gz PLQXISJBTAQDGP-HNNXBMFYSA-N 1 1 352.347 3.310 20 10 FGCDMO C[NH+](C)CCn1ccc(NCc2cc(Cl)cc(Br)c2O)n1 ZINC000883037798 737514819 /nfs/dbraw/zinc/51/48/19/737514819.db2.gz LXQCASOKSVJFPQ-UHFFFAOYSA-N 1 1 373.682 3.178 20 10 FGCDMO C[C@@](CO)([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(Br)cc1 ZINC000883117524 737525841 /nfs/dbraw/zinc/52/58/41/737525841.db2.gz BEKAJJAEUSREQV-INIZCTEOSA-N 1 1 372.209 3.430 20 10 FGCDMO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(N3CCN(C)CC3)cc1)CCC2 ZINC000883289299 737547915 /nfs/dbraw/zinc/54/79/15/737547915.db2.gz KDSHXFLBPNYFNF-GOSISDBHSA-N 1 1 356.539 3.371 20 10 FGCDMO Oc1ccc(Cl)c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000883324948 737554514 /nfs/dbraw/zinc/55/45/14/737554514.db2.gz JSFDGDZVBKZMGK-UHFFFAOYSA-N 1 1 350.821 3.311 20 10 FGCDMO O=C(CC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1)NC1CCCC1 ZINC000893976453 742221508 /nfs/dbraw/zinc/22/15/08/742221508.db2.gz SEBYUBMIJAVASM-UHFFFAOYSA-N 1 1 352.425 3.331 20 10 FGCDMO COc1ccc(C[NH2+]Cc2cccc(Br)c2O)c(O)c1OC ZINC000894046149 742231383 /nfs/dbraw/zinc/23/13/83/742231383.db2.gz MULGVUPZZXPPSZ-UHFFFAOYSA-N 1 1 368.227 3.167 20 10 FGCDMO CC[C@H]([NH2+]Cc1cn(C)nc1Br)c1ccc(N(C)C)cc1 ZINC000903188878 743819731 /nfs/dbraw/zinc/81/97/31/743819731.db2.gz ZZUNNXLLTZAGPR-HNNXBMFYSA-N 1 1 351.292 3.490 20 10 FGCDMO C[C@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000927106002 759893064 /nfs/dbraw/zinc/89/30/64/759893064.db2.gz NQXSHBYWQOHUBA-GXTWGEPZSA-N 1 1 358.404 3.315 20 10 FGCDMO COc1ccc(N2CCC[N@@H+](CCOC3CCSCC3)CC2)cc1 ZINC000929315534 760357846 /nfs/dbraw/zinc/35/78/46/760357846.db2.gz LKJQQOAVXRGAKC-UHFFFAOYSA-N 1 1 350.528 3.120 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2ccon2)C1 ZINC000577343180 505708531 /nfs/dbraw/zinc/70/85/31/505708531.db2.gz NGUFSGFFBALIKJ-HNNXBMFYSA-N 1 1 366.465 3.273 20 10 FGCDMO COC(=O)c1ccc(C[N@@H+](C)C2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000072801466 494253396 /nfs/dbraw/zinc/25/33/96/494253396.db2.gz JQDVUJVVVYYNLT-UHFFFAOYSA-N 1 1 358.438 3.176 20 10 FGCDMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+](C)Cc1ccccc1O ZINC000109770670 494916436 /nfs/dbraw/zinc/91/64/36/494916436.db2.gz RBDPLBUCIWIYAL-AWEZNQCLSA-N 1 1 356.422 3.013 20 10 FGCDMO COc1cccc([C@H]2CCCN2C(=O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000109772008 494916876 /nfs/dbraw/zinc/91/68/76/494916876.db2.gz NXJVZASXAAULNA-LJQANCHMSA-N 1 1 354.450 3.196 20 10 FGCDMO C[C@@H]1C[C@H](CNC(=O)N(C)Cc2ccccc2O)C[N@H+]1Cc1ccccc1 ZINC000119324225 495142037 /nfs/dbraw/zinc/14/20/37/495142037.db2.gz LVZBSOFJAIQNOY-IEBWSBKVSA-N 1 1 367.493 3.444 20 10 FGCDMO C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185367439 495551039 /nfs/dbraw/zinc/55/10/39/495551039.db2.gz AEYRVGRWPIPREO-CYBMUJFWSA-N 1 1 360.329 3.377 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccc(Br)o2)cc1OC ZINC000158879467 495607312 /nfs/dbraw/zinc/60/73/12/495607312.db2.gz DIEYNNMQXYWAEY-UHFFFAOYSA-N 1 1 356.216 3.397 20 10 FGCDMO Cn1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(C(C)(C)C)n1 ZINC000179617226 495663242 /nfs/dbraw/zinc/66/32/42/495663242.db2.gz FFWYEUYQOVCVDE-UHFFFAOYSA-N 1 1 356.514 3.186 20 10 FGCDMO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000183122431 495843834 /nfs/dbraw/zinc/84/38/34/495843834.db2.gz NURRNUSFWMXCRT-UHFFFAOYSA-N 1 1 369.461 3.353 20 10 FGCDMO COc1cc(O)c(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)cc1OC ZINC000180243296 495922119 /nfs/dbraw/zinc/92/21/19/495922119.db2.gz PIFQBWOKUKXONW-SFHVURJKSA-N 1 1 357.450 3.281 20 10 FGCDMO C[N@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1cccs1 ZINC000181120504 496278215 /nfs/dbraw/zinc/27/82/15/496278215.db2.gz AOYXSHIQNKHFIF-APNNGBSVSA-N 1 1 372.490 3.372 20 10 FGCDMO CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])[C@H](C)C1 ZINC000187722474 496546673 /nfs/dbraw/zinc/54/66/73/496546673.db2.gz ZPXICJMOWZXGQR-JKIFEVAISA-N 1 1 356.457 3.458 20 10 FGCDMO C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(F)cc1O ZINC000185082925 496651932 /nfs/dbraw/zinc/65/19/32/496651932.db2.gz IEXVNSAGZGYUKA-AWEZNQCLSA-N 1 1 372.440 3.082 20 10 FGCDMO CC[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000158483783 496711153 /nfs/dbraw/zinc/71/11/53/496711153.db2.gz OPEIWXUXGBHPMS-NRFANRHFSA-N 1 1 367.541 3.140 20 10 FGCDMO COC[C@H](C)OC[C@H](O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000278430989 497112285 /nfs/dbraw/zinc/11/22/85/497112285.db2.gz UWQVSBCALNSACF-BBTUJRGHSA-N 1 1 373.493 3.368 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278475757 497128140 /nfs/dbraw/zinc/12/81/40/497128140.db2.gz IJTCMMHZNYZFGP-NVXWUHKLSA-N 1 1 358.394 3.319 20 10 FGCDMO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237528309 497251336 /nfs/dbraw/zinc/25/13/36/497251336.db2.gz KQXSMSHHRIYFJH-UWJYYQICSA-N 1 1 351.494 3.323 20 10 FGCDMO C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Cl)c(Cl)cc1O ZINC000193107993 497304341 /nfs/dbraw/zinc/30/43/41/497304341.db2.gz LDIFGNJBZUEQRM-QWRGUYRKSA-N 1 1 362.253 3.272 20 10 FGCDMO CN(C)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000280063812 497636405 /nfs/dbraw/zinc/63/64/05/497636405.db2.gz YPVOJTOXEHJJJU-MRXNPFEDSA-N 1 1 369.362 3.227 20 10 FGCDMO CCCOc1ccc(C[N@@H+]2C[C@@H](c3cnn(C(C)C)c3)[C@H](CO)C2)c(O)c1 ZINC000284544781 497823441 /nfs/dbraw/zinc/82/34/41/497823441.db2.gz HKFBEJXWLNJYEK-ICSRJNTNSA-N 1 1 373.497 3.166 20 10 FGCDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295856253 497831889 /nfs/dbraw/zinc/83/18/89/497831889.db2.gz BONKDQHBZACGQH-WMQCIHAUSA-N 1 1 372.509 3.075 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](n3cc4ccccc4n3)C2)cc1OC ZINC000364701884 498100390 /nfs/dbraw/zinc/10/03/90/498100390.db2.gz DPTHBNACJAOCSC-MRXNPFEDSA-N 1 1 353.422 3.206 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000360777380 498306910 /nfs/dbraw/zinc/30/69/10/498306910.db2.gz YJSLITNSMZHRCQ-IEBWSBKVSA-N 1 1 357.429 3.118 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000360777380 498306913 /nfs/dbraw/zinc/30/69/13/498306913.db2.gz YJSLITNSMZHRCQ-IEBWSBKVSA-N 1 1 357.429 3.118 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CN3CCCC3)cc2)CC1 ZINC000297321308 498404508 /nfs/dbraw/zinc/40/45/08/498404508.db2.gz ZOVCMIJHFOHPLS-OAQYLSRUSA-N 1 1 357.542 3.362 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CN3CCCC3)cc2)CC1 ZINC000297321308 498404514 /nfs/dbraw/zinc/40/45/14/498404514.db2.gz ZOVCMIJHFOHPLS-OAQYLSRUSA-N 1 1 357.542 3.362 20 10 FGCDMO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c(O)c1 ZINC000293637151 498436871 /nfs/dbraw/zinc/43/68/71/498436871.db2.gz HWBGXOISNBRUPQ-KRWDZBQOSA-N 1 1 354.498 3.007 20 10 FGCDMO Oc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1Cl ZINC000293732212 498470251 /nfs/dbraw/zinc/47/02/51/498470251.db2.gz ZKRPULPSEVCVTE-UHFFFAOYSA-N 1 1 364.848 3.436 20 10 FGCDMO CCn1cnnc1[C@@H]1C[N@H+]([C@@H](C)c2ccc3ccccc3c2O)CCO1 ZINC000365525684 498513677 /nfs/dbraw/zinc/51/36/77/498513677.db2.gz CWPKKLMKOUOQTH-KSSFIOAISA-N 1 1 352.438 3.291 20 10 FGCDMO CCOc1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)ccc1O ZINC000297739304 498554421 /nfs/dbraw/zinc/55/44/21/498554421.db2.gz KJXLGITYIKUXOU-UHFFFAOYSA-N 1 1 356.466 3.260 20 10 FGCDMO CN(C)c1ccc(C[N@H+](Cc2cccc(S(C)(=O)=O)c2)C2CC2)cc1 ZINC000294532810 498722045 /nfs/dbraw/zinc/72/20/45/498722045.db2.gz HLKJRBDMVJIYSB-UHFFFAOYSA-N 1 1 358.507 3.321 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](Cc2cccc(S(C)(=O)=O)c2)C2CC2)cc1 ZINC000294532810 498722051 /nfs/dbraw/zinc/72/20/51/498722051.db2.gz HLKJRBDMVJIYSB-UHFFFAOYSA-N 1 1 358.507 3.321 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3C[C@H](N4CCCC4)C[C@H]3C)cc2)CC1 ZINC000295272091 498962046 /nfs/dbraw/zinc/96/20/46/498962046.db2.gz JPWVSQURICNSQY-WIYYLYMNSA-N 1 1 357.542 3.360 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@H](N4CCCC4)C[C@H]3C)cc2)CC1 ZINC000295272091 498962053 /nfs/dbraw/zinc/96/20/53/498962053.db2.gz JPWVSQURICNSQY-WIYYLYMNSA-N 1 1 357.542 3.360 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1OC ZINC000291614326 499012276 /nfs/dbraw/zinc/01/22/76/499012276.db2.gz RGURRMBXMJQMCB-KRWDZBQOSA-N 1 1 354.450 3.046 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000295432052 499016070 /nfs/dbraw/zinc/01/60/70/499016070.db2.gz TWAVTRYQJVVDPO-LLVKDONJSA-N 1 1 350.825 3.102 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000295432052 499016077 /nfs/dbraw/zinc/01/60/77/499016077.db2.gz TWAVTRYQJVVDPO-LLVKDONJSA-N 1 1 350.825 3.102 20 10 FGCDMO COc1ccc(O)c(CNc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)c1 ZINC000363854613 499027184 /nfs/dbraw/zinc/02/71/84/499027184.db2.gz GAZJQCCJXNKJDA-UHFFFAOYSA-N 1 1 356.466 3.142 20 10 FGCDMO C[C@@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1cc(F)ccc1O ZINC000369902573 499148965 /nfs/dbraw/zinc/14/89/65/499148965.db2.gz OJQJEKMEJPAYBF-ZJUUUORDSA-N 1 1 358.339 3.098 20 10 FGCDMO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000372811816 499179046 /nfs/dbraw/zinc/17/90/46/499179046.db2.gz LAGDSMVGZOKLRE-MLGOLLRUSA-N 1 1 353.825 3.006 20 10 FGCDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000372811816 499179047 /nfs/dbraw/zinc/17/90/47/499179047.db2.gz LAGDSMVGZOKLRE-MLGOLLRUSA-N 1 1 353.825 3.006 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)c1O ZINC000367956554 499249395 /nfs/dbraw/zinc/24/93/95/499249395.db2.gz CDKMZHWAHQTBAL-MRXNPFEDSA-N 1 1 358.276 3.004 20 10 FGCDMO Cc1c[nH]nc1C[NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000368082610 499262403 /nfs/dbraw/zinc/26/24/03/499262403.db2.gz XOFIMIKWBWEWNU-UHFFFAOYSA-N 1 1 354.376 3.375 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1[O-] ZINC000368325404 499285512 /nfs/dbraw/zinc/28/55/12/499285512.db2.gz ADVZACAYDHLHRP-FUHWJXTLSA-N 1 1 353.510 3.365 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)c1O ZINC000371396796 499320652 /nfs/dbraw/zinc/32/06/52/499320652.db2.gz UKPBJAIYSDQWLX-AWEZNQCLSA-N 1 1 361.467 3.098 20 10 FGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2nc(-c3ncccn3)no2)c1 ZINC000378344555 499504275 /nfs/dbraw/zinc/50/42/75/499504275.db2.gz ALYJIDDOLDISNX-OAHLLOKOSA-N 1 1 351.410 3.268 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)ccc1[N+](=O)[O-] ZINC000375528041 499528819 /nfs/dbraw/zinc/52/88/19/499528819.db2.gz HRQOHGUSDLXVQS-SPYBWZPUSA-N 1 1 364.442 3.215 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)ccc1[N+](=O)[O-] ZINC000375528041 499528820 /nfs/dbraw/zinc/52/88/20/499528820.db2.gz HRQOHGUSDLXVQS-SPYBWZPUSA-N 1 1 364.442 3.215 20 10 FGCDMO CC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Br)ccc1O ZINC000377757152 499729334 /nfs/dbraw/zinc/72/93/34/499729334.db2.gz UHUOUBKDTVZDTL-AAEUAGOBSA-N 1 1 350.260 3.476 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2cccnc2)C1 ZINC000435860036 501037995 /nfs/dbraw/zinc/03/79/95/501037995.db2.gz CRFLOVKZPKRBJS-UHFFFAOYSA-N 1 1 362.477 3.466 20 10 FGCDMO CCC[N@@H+](CC)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000472218397 502273635 /nfs/dbraw/zinc/27/36/35/502273635.db2.gz BUUHMRSTJLNEKH-UHFFFAOYSA-N 1 1 359.514 3.366 20 10 FGCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000475951275 502342306 /nfs/dbraw/zinc/34/23/06/502342306.db2.gz DSVZHOXEPCOWKP-IBGZPJMESA-N 1 1 373.884 3.434 20 10 FGCDMO CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000529805539 503709532 /nfs/dbraw/zinc/70/95/32/503709532.db2.gz USCKLBQGWVQREQ-SFHVURJKSA-N 1 1 354.450 3.080 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@]3(CCc4ccccc4O3)C1)[C@H](O)CO2 ZINC000530102851 503838097 /nfs/dbraw/zinc/83/80/97/503838097.db2.gz BIOLUVBMFNQIMK-KNQAVFIVSA-N 1 1 367.445 3.178 20 10 FGCDMO O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000528147324 504091345 /nfs/dbraw/zinc/09/13/45/504091345.db2.gz LBNFCYPQRRUBIU-INIZCTEOSA-N 1 1 351.878 3.252 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)ccc21 ZINC000538921038 504417491 /nfs/dbraw/zinc/41/74/91/504417491.db2.gz DKYNPTVDUDOYJZ-SJORKVTESA-N 1 1 357.498 3.069 20 10 FGCDMO Cc1c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cnn1C ZINC000562470011 504831096 /nfs/dbraw/zinc/83/10/96/504831096.db2.gz BFIZDAKLFCVKTQ-UHFFFAOYSA-N 1 1 365.481 3.088 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)C(C)(C)C3)ccc21 ZINC000550115427 504969843 /nfs/dbraw/zinc/96/98/43/504969843.db2.gz KWLDFWFYTITKSQ-UHFFFAOYSA-N 1 1 357.498 3.071 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)C(C)(C)C3)ccc21 ZINC000550115427 504969847 /nfs/dbraw/zinc/96/98/47/504969847.db2.gz KWLDFWFYTITKSQ-UHFFFAOYSA-N 1 1 357.498 3.071 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ncc[nH]3)no2)C1 ZINC000552040353 505378543 /nfs/dbraw/zinc/37/85/43/505378543.db2.gz LFZWMBNFMPOSAZ-UHFFFAOYSA-N 1 1 362.437 3.229 20 10 FGCDMO CCC[N@@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000821100277 606904309 /nfs/dbraw/zinc/90/43/09/606904309.db2.gz XEKZCKCYMFZNPI-UHFFFAOYSA-N 1 1 367.453 3.253 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000048795211 695889663 /nfs/dbraw/zinc/88/96/63/695889663.db2.gz FQBGGTSSQTYBRE-LBPRGKRZSA-N 1 1 350.212 3.084 20 10 FGCDMO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(N2CCOCC2)cc1 ZINC000093336028 700450682 /nfs/dbraw/zinc/45/06/82/700450682.db2.gz LBDGZFDNIFNUAC-UHFFFAOYSA-N 1 1 357.523 3.491 20 10 FGCDMO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(N2CCOCC2)cc1 ZINC000093336028 700450687 /nfs/dbraw/zinc/45/06/87/700450687.db2.gz LBDGZFDNIFNUAC-UHFFFAOYSA-N 1 1 357.523 3.491 20 10 FGCDMO CCC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000122356979 700688271 /nfs/dbraw/zinc/68/82/71/700688271.db2.gz ANDJIFOSIDYEQJ-OAHLLOKOSA-N 1 1 369.527 3.097 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)COCC(C)C ZINC000174425466 705504009 /nfs/dbraw/zinc/50/40/09/705504009.db2.gz ULWJMPBUYQZLJL-HNNXBMFYSA-N 1 1 360.292 3.010 20 10 FGCDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177084209 705605019 /nfs/dbraw/zinc/60/50/19/705605019.db2.gz QGOTUXVKEGWDAS-AWEZNQCLSA-N 1 1 366.889 3.377 20 10 FGCDMO COc1ccccc1CN(CCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177116150 705606684 /nfs/dbraw/zinc/60/66/84/705606684.db2.gz PZNAJEVPJNHDOI-UHFFFAOYSA-N 1 1 363.841 3.251 20 10 FGCDMO CCS(=O)(=O)C1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000194355513 713519655 /nfs/dbraw/zinc/51/96/55/713519655.db2.gz ZWUHVWRMSUZMSD-UHFFFAOYSA-N 1 1 369.527 3.097 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2CCc3ccc(S(C)(=O)=O)cc3CC2)cc1C ZINC000375026793 713961523 /nfs/dbraw/zinc/96/15/23/713961523.db2.gz FEJVHQPWLSJGIB-UHFFFAOYSA-N 1 1 359.491 3.013 20 10 FGCDMO CCc1[nH]ccc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000802782318 724406690 /nfs/dbraw/zinc/40/66/90/724406690.db2.gz SAMHYZHRIQTMMG-HNNXBMFYSA-N 1 1 361.873 3.331 20 10 FGCDMO CC[C@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)C[C@]2(CCOC2)O1 ZINC000793361735 723429520 /nfs/dbraw/zinc/42/95/20/723429520.db2.gz PEHLNOZRFWTPBN-RDJZCZTQSA-N 1 1 370.287 3.233 20 10 FGCDMO CC[C@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)C[C@]2(CCOC2)O1 ZINC000793361735 723429525 /nfs/dbraw/zinc/42/95/25/723429525.db2.gz PEHLNOZRFWTPBN-RDJZCZTQSA-N 1 1 370.287 3.233 20 10 FGCDMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c(O)c1O ZINC000780998155 724520304 /nfs/dbraw/zinc/52/03/04/724520304.db2.gz IMTARXRADLRQMB-JKSUJKDBSA-N 1 1 360.841 3.235 20 10 FGCDMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c(O)c1O ZINC000780998155 724520308 /nfs/dbraw/zinc/52/03/08/724520308.db2.gz IMTARXRADLRQMB-JKSUJKDBSA-N 1 1 360.841 3.235 20 10 FGCDMO C[N@@H+](CCC(=O)NCc1cc(Br)ccc1O)C1CCCCC1 ZINC000804733530 724546162 /nfs/dbraw/zinc/54/61/62/724546162.db2.gz RTYLPGWYGBHSKT-UHFFFAOYSA-N 1 1 369.303 3.426 20 10 FGCDMO Cc1nscc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000781353260 724556062 /nfs/dbraw/zinc/55/60/62/724556062.db2.gz ZOSQYJSYXJUBAF-AWEZNQCLSA-N 1 1 365.886 3.205 20 10 FGCDMO Cc1nscc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000781353260 724556066 /nfs/dbraw/zinc/55/60/66/724556066.db2.gz ZOSQYJSYXJUBAF-AWEZNQCLSA-N 1 1 365.886 3.205 20 10 FGCDMO Cc1nscc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000781353261 724555923 /nfs/dbraw/zinc/55/59/23/724555923.db2.gz ZOSQYJSYXJUBAF-CQSZACIVSA-N 1 1 365.886 3.205 20 10 FGCDMO Cc1nscc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000781353261 724555928 /nfs/dbraw/zinc/55/59/28/724555928.db2.gz ZOSQYJSYXJUBAF-CQSZACIVSA-N 1 1 365.886 3.205 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@]2(CO)CCc3ccccc32)c1 ZINC000781635617 724581297 /nfs/dbraw/zinc/58/12/97/724581297.db2.gz ICMZGIWBBOVVOE-SFHVURJKSA-N 1 1 362.267 3.387 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000781915135 724612288 /nfs/dbraw/zinc/61/22/88/724612288.db2.gz XDDHSSLBNISHBL-LBPRGKRZSA-N 1 1 356.260 3.048 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000781915135 724612291 /nfs/dbraw/zinc/61/22/91/724612291.db2.gz XDDHSSLBNISHBL-LBPRGKRZSA-N 1 1 356.260 3.048 20 10 FGCDMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCc3ncsc3C2)c1O ZINC000783546703 724763732 /nfs/dbraw/zinc/76/37/32/724763732.db2.gz SPACJMMZXMYSPD-UHFFFAOYSA-N 1 1 354.431 3.347 20 10 FGCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000731843416 722478448 /nfs/dbraw/zinc/47/84/48/722478448.db2.gz DIDSZTSDDMUHMZ-HNNXBMFYSA-N 1 1 355.356 3.283 20 10 FGCDMO CCc1ccc(C[NH+]2CCN(Cc3cc4c(cc3O)OCO4)CC2)s1 ZINC000738273882 722529624 /nfs/dbraw/zinc/52/96/24/722529624.db2.gz OHNBJDDIQAKIIG-UHFFFAOYSA-N 1 1 360.479 3.063 20 10 FGCDMO CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1O ZINC000750055382 722753165 /nfs/dbraw/zinc/75/31/65/722753165.db2.gz ADQWLHFGNOCUSF-HNNXBMFYSA-N 1 1 350.890 3.412 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cn3cc(Cl)ccc3n2)c1 ZINC000756391861 722963883 /nfs/dbraw/zinc/96/38/83/722963883.db2.gz HGOAQVSONALKTG-LLVKDONJSA-N 1 1 359.813 3.331 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(F)c(F)c2)c1 ZINC000756707939 722968865 /nfs/dbraw/zinc/96/88/65/722968865.db2.gz QUDYRMHNQCSOJX-NSHDSACASA-N 1 1 351.349 3.187 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000756761693 722969749 /nfs/dbraw/zinc/96/97/49/722969749.db2.gz UVQMHZDKNMLMLN-ZFWWWQNUSA-N 1 1 365.495 3.274 20 10 FGCDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCCSc2nccs2)C[C@@H]1C ZINC000759601301 723011209 /nfs/dbraw/zinc/01/12/09/723011209.db2.gz HFESDBGAKJATPA-KBPBESRZSA-N 1 1 356.561 3.140 20 10 FGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)[C@@H](CC)CN1C(C)=O ZINC000761203374 723132709 /nfs/dbraw/zinc/13/27/09/723132709.db2.gz QTELCLINIZPSEN-JKSUJKDBSA-N 1 1 354.878 3.276 20 10 FGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)[C@@H](CC)CN1C(C)=O ZINC000761203374 723132713 /nfs/dbraw/zinc/13/27/13/723132713.db2.gz QTELCLINIZPSEN-JKSUJKDBSA-N 1 1 354.878 3.276 20 10 FGCDMO O=C1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CN1c1c(F)cccc1F ZINC000790982677 723202224 /nfs/dbraw/zinc/20/22/24/723202224.db2.gz WPONMBJLPIWACL-VIFPVBQESA-N 1 1 370.758 3.358 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1F ZINC000768248986 723651773 /nfs/dbraw/zinc/65/17/73/723651773.db2.gz NAYNQDAMAMJNFI-HNNXBMFYSA-N 1 1 351.466 3.333 20 10 FGCDMO CC[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(F)cc1O ZINC000796801716 723655433 /nfs/dbraw/zinc/65/54/33/723655433.db2.gz XVVGFNDBECWIFF-QGZVFWFLSA-N 1 1 351.443 3.317 20 10 FGCDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439464 723657475 /nfs/dbraw/zinc/65/74/75/723657475.db2.gz MDRJRSFSCAEEPR-MRXNPFEDSA-N 1 1 353.340 3.469 20 10 FGCDMO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000771054506 723726839 /nfs/dbraw/zinc/72/68/39/723726839.db2.gz URUCOZYECHSIJV-GXFFZTMASA-N 1 1 364.795 3.325 20 10 FGCDMO CN(C)c1ccc(C[N@H+](CC(=O)Nc2cccnc2Cl)C2CC2)cc1 ZINC000771791355 723742305 /nfs/dbraw/zinc/74/23/05/723742305.db2.gz ONKUOAFIQPOWKV-UHFFFAOYSA-N 1 1 358.873 3.404 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](CC(=O)Nc2cccnc2Cl)C2CC2)cc1 ZINC000771791355 723742307 /nfs/dbraw/zinc/74/23/07/723742307.db2.gz ONKUOAFIQPOWKV-UHFFFAOYSA-N 1 1 358.873 3.404 20 10 FGCDMO CCO[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CCCC1 ZINC000775033141 723954469 /nfs/dbraw/zinc/95/44/69/723954469.db2.gz LFPPMUIMVLKJFZ-MRXNPFEDSA-N 1 1 352.431 3.384 20 10 FGCDMO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775665460 724020071 /nfs/dbraw/zinc/02/00/71/724020071.db2.gz CDKWMEZICIZJMG-GJZGRUSLSA-N 1 1 369.912 3.175 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)c1 ZINC000776692818 724171028 /nfs/dbraw/zinc/17/10/28/724171028.db2.gz DNOZLUYXADNLIW-ZIAGYGMSSA-N 1 1 350.459 3.231 20 10 FGCDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000786578079 724989440 /nfs/dbraw/zinc/98/94/40/724989440.db2.gz GPFZYUKQCVIQAY-CQDKDKBSSA-N 1 1 368.271 3.237 20 10 FGCDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000786578079 724989441 /nfs/dbraw/zinc/98/94/41/724989441.db2.gz GPFZYUKQCVIQAY-CQDKDKBSSA-N 1 1 368.271 3.237 20 10 FGCDMO Cc1cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000787636555 725033839 /nfs/dbraw/zinc/03/38/39/725033839.db2.gz VKODXKMOUKYBNW-IYBDPMFKSA-N 1 1 357.885 3.381 20 10 FGCDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000809704357 725260820 /nfs/dbraw/zinc/26/08/20/725260820.db2.gz APXAZJGDEZGTFH-CYBMUJFWSA-N 1 1 368.193 3.434 20 10 FGCDMO Oc1c(Br)cccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000809704357 725260821 /nfs/dbraw/zinc/26/08/21/725260821.db2.gz APXAZJGDEZGTFH-CYBMUJFWSA-N 1 1 368.193 3.434 20 10 FGCDMO COc1cccc(C[NH2+]Cc2nc3ccccn3c2Br)c1O ZINC000809741838 725264203 /nfs/dbraw/zinc/26/42/03/725264203.db2.gz YWRRYKKMAYFQGO-UHFFFAOYSA-N 1 1 362.227 3.101 20 10 FGCDMO Cc1cc(Br)cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000809767856 725266667 /nfs/dbraw/zinc/26/66/67/725266667.db2.gz VXVKXVQCUKGNOA-CZUORRHYSA-N 1 1 353.304 3.379 20 10 FGCDMO Cc1cc(Br)cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000809767856 725266668 /nfs/dbraw/zinc/26/66/68/725266668.db2.gz VXVKXVQCUKGNOA-CZUORRHYSA-N 1 1 353.304 3.379 20 10 FGCDMO CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216932 725297665 /nfs/dbraw/zinc/29/76/65/725297665.db2.gz STPVGMCCNYEDKE-CZUORRHYSA-N 1 1 359.436 3.088 20 10 FGCDMO Cc1nnsc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000813883294 726920757 /nfs/dbraw/zinc/92/07/57/726920757.db2.gz BXYQMVNBJPIVSG-LLVKDONJSA-N 1 1 352.891 3.187 20 10 FGCDMO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000814302714 726954967 /nfs/dbraw/zinc/95/49/67/726954967.db2.gz ZQEKFCGYDNQEOO-JTQLQIEISA-N 1 1 352.232 3.194 20 10 FGCDMO Fc1cc(F)c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(F)c1 ZINC000815152071 727046400 /nfs/dbraw/zinc/04/64/00/727046400.db2.gz MSRLHWYJOZEVJF-UHFFFAOYSA-N 1 1 354.347 3.369 20 10 FGCDMO C[C@H]([NH2+]CCc1nnc2ccccn21)c1cccc(C(F)(F)F)c1O ZINC000815555145 727083890 /nfs/dbraw/zinc/08/38/90/727083890.db2.gz QVFAHVHDDSBJRX-NSHDSACASA-N 1 1 350.344 3.347 20 10 FGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](O)COCc1ccccc1 ZINC000816496589 727167985 /nfs/dbraw/zinc/16/79/85/727167985.db2.gz PEYCTBZIYSPCCH-OAHLLOKOSA-N 1 1 353.821 3.194 20 10 FGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](O)COCc1ccccc1 ZINC000816496589 727167990 /nfs/dbraw/zinc/16/79/90/727167990.db2.gz PEYCTBZIYSPCCH-OAHLLOKOSA-N 1 1 353.821 3.194 20 10 FGCDMO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816541135 727173379 /nfs/dbraw/zinc/17/33/79/727173379.db2.gz DJAQXXAMLGZPOH-UHFFFAOYSA-N 1 1 350.821 3.323 20 10 FGCDMO Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)c(O)c1O ZINC000819678233 727387818 /nfs/dbraw/zinc/38/78/18/727387818.db2.gz KQRKQXAIEYLMKD-UHFFFAOYSA-N 1 1 361.467 3.272 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c(C(F)(F)F)c1 ZINC000822503387 729183233 /nfs/dbraw/zinc/18/32/33/729183233.db2.gz HZWJNSOKUZBIRH-HNNXBMFYSA-N 1 1 353.392 3.200 20 10 FGCDMO OCC1([C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C2CCOCC2)CCC1 ZINC000822525361 729190426 /nfs/dbraw/zinc/19/04/26/729190426.db2.gz FIUKMKWGOGIMFM-KRWDZBQOSA-N 1 1 357.853 3.232 20 10 FGCDMO Oc1ccccc1N1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824491239 729342713 /nfs/dbraw/zinc/34/27/13/729342713.db2.gz ONPKTCFSNBGVPS-UHFFFAOYSA-N 1 1 363.255 3.183 20 10 FGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824650479 729352889 /nfs/dbraw/zinc/35/28/89/729352889.db2.gz QLFFAMZAILEVOG-ZDUSSCGKSA-N 1 1 369.303 3.283 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H](CO)c2ccccc2)c1O ZINC000824695794 729355611 /nfs/dbraw/zinc/35/56/11/729355611.db2.gz DIPBZPXNTPORKI-HNNXBMFYSA-N 1 1 366.255 3.329 20 10 FGCDMO COc1cccc(C[N@@H+](C)C[C@H](O)c2ccccc2Br)c1O ZINC000825305436 729377778 /nfs/dbraw/zinc/37/77/78/729377778.db2.gz JAFGLSYHRYBKJA-HNNXBMFYSA-N 1 1 366.255 3.329 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1O ZINC000825331691 729379031 /nfs/dbraw/zinc/37/90/31/729379031.db2.gz LSYLUWMTPZOKME-OLZOCXBDSA-N 1 1 356.260 3.020 20 10 FGCDMO COc1cc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000826096790 729405099 /nfs/dbraw/zinc/40/50/99/729405099.db2.gz DDPHCQKDAQCFAP-ZBEGNZNMSA-N 1 1 361.404 3.443 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CCCC[C@H]2CO)c(C)n1-c1ccc(Cl)cn1 ZINC000827411428 729429902 /nfs/dbraw/zinc/42/99/02/729429902.db2.gz UKXYBPWVRPUTKJ-INIZCTEOSA-N 1 1 361.873 3.172 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CCCC[C@H]2CO)c(C)n1-c1ccc(Cl)cn1 ZINC000827411428 729429903 /nfs/dbraw/zinc/42/99/03/729429903.db2.gz UKXYBPWVRPUTKJ-INIZCTEOSA-N 1 1 361.873 3.172 20 10 FGCDMO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827813605 729435390 /nfs/dbraw/zinc/43/53/90/729435390.db2.gz WDKDMDORIJIQOE-QGZVFWFLSA-N 1 1 352.544 3.240 20 10 FGCDMO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827813605 729435391 /nfs/dbraw/zinc/43/53/91/729435391.db2.gz WDKDMDORIJIQOE-QGZVFWFLSA-N 1 1 352.544 3.240 20 10 FGCDMO Cc1cc(C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)ccc1N1CCCCC1 ZINC000827820601 729435501 /nfs/dbraw/zinc/43/55/01/729435501.db2.gz CUHCGPQFLXPATF-SJORKVTESA-N 1 1 352.544 3.239 20 10 FGCDMO Cc1cc(C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)ccc1N1CCCCC1 ZINC000827820601 729435502 /nfs/dbraw/zinc/43/55/02/729435502.db2.gz CUHCGPQFLXPATF-SJORKVTESA-N 1 1 352.544 3.239 20 10 FGCDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)s1 ZINC000827942901 729437572 /nfs/dbraw/zinc/43/75/72/729437572.db2.gz UHXHAZZRZOZRNV-LLVKDONJSA-N 1 1 350.415 3.154 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@](C)(O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828575882 729445338 /nfs/dbraw/zinc/44/53/38/729445338.db2.gz FQZVRQMKYQWCLC-IBGZPJMESA-N 1 1 361.873 3.172 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@](C)(O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828575882 729445339 /nfs/dbraw/zinc/44/53/39/729445339.db2.gz FQZVRQMKYQWCLC-IBGZPJMESA-N 1 1 361.873 3.172 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C(C)(C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829328224 729474227 /nfs/dbraw/zinc/47/42/27/729474227.db2.gz SHEKCMZXOFMKPP-KRWDZBQOSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C(C)(C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829328224 729474228 /nfs/dbraw/zinc/47/42/28/729474228.db2.gz SHEKCMZXOFMKPP-KRWDZBQOSA-N 1 1 361.873 3.028 20 10 FGCDMO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1cc(Cl)cc(C)c1O ZINC000835074045 729856744 /nfs/dbraw/zinc/85/67/44/729856744.db2.gz FYEZWNZCMPDQDP-UHFFFAOYSA-N 1 1 351.878 3.353 20 10 FGCDMO OC1CCN(c2ccc(C[N@@H+]3CCC=C(Br)C3)cc2)CC1 ZINC000877501007 736673582 /nfs/dbraw/zinc/67/35/82/736673582.db2.gz KWONXLBWKLIPRO-UHFFFAOYSA-N 1 1 351.288 3.132 20 10 FGCDMO OC1CCN(c2ccc(C[N@H+]3CCC=C(Br)C3)cc2)CC1 ZINC000877501007 736673585 /nfs/dbraw/zinc/67/35/85/736673585.db2.gz KWONXLBWKLIPRO-UHFFFAOYSA-N 1 1 351.288 3.132 20 10 FGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2c(C3CC3)nc3sccn23)cc1 ZINC000841045465 730205600 /nfs/dbraw/zinc/20/56/00/730205600.db2.gz LFWKEJXTDDRBKE-MRXNPFEDSA-N 1 1 355.511 3.129 20 10 FGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cnc(-c3ccccn3)s2)cc1 ZINC000841045577 730205805 /nfs/dbraw/zinc/20/58/05/730205805.db2.gz NAIVTEXVIBZLDB-QGZVFWFLSA-N 1 1 353.495 3.061 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](C(=O)NC)(C(F)(F)F)C2)cc1 ZINC000843432015 730620571 /nfs/dbraw/zinc/62/05/71/730620571.db2.gz HQVTZVUMJNGARC-QGZVFWFLSA-N 1 1 357.420 3.033 20 10 FGCDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845065601 730806947 /nfs/dbraw/zinc/80/69/47/730806947.db2.gz FJTFFMYPSPQQHY-AWEZNQCLSA-N 1 1 353.894 3.213 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1[O-] ZINC000846227303 730937964 /nfs/dbraw/zinc/93/79/64/730937964.db2.gz NOOVJOBMSGDUJW-CGTJXYLNSA-N 1 1 366.889 3.109 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1[O-] ZINC000846227303 730937965 /nfs/dbraw/zinc/93/79/65/730937965.db2.gz NOOVJOBMSGDUJW-CGTJXYLNSA-N 1 1 366.889 3.109 20 10 FGCDMO COc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000847590734 731068581 /nfs/dbraw/zinc/06/85/81/731068581.db2.gz FXNAMJSOKIQKMO-AWEZNQCLSA-N 1 1 364.829 3.042 20 10 FGCDMO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000847590734 731068585 /nfs/dbraw/zinc/06/85/85/731068585.db2.gz FXNAMJSOKIQKMO-AWEZNQCLSA-N 1 1 364.829 3.042 20 10 FGCDMO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000850497334 731364444 /nfs/dbraw/zinc/36/44/44/731364444.db2.gz UHFGGTMLCMNSPS-OTHYDSGKSA-N 1 1 363.323 3.373 20 10 FGCDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000854014323 731785191 /nfs/dbraw/zinc/78/51/91/731785191.db2.gz RXOLIEKBAVCJLB-UHFFFAOYSA-N 1 1 360.527 3.166 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000860093529 732448347 /nfs/dbraw/zinc/44/83/47/732448347.db2.gz CZQHVPUSNVDQRW-NSHDSACASA-N 1 1 354.422 3.079 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000860093529 732448350 /nfs/dbraw/zinc/44/83/50/732448350.db2.gz CZQHVPUSNVDQRW-NSHDSACASA-N 1 1 354.422 3.079 20 10 FGCDMO Oc1cccc(Br)c1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000862233925 732792324 /nfs/dbraw/zinc/79/23/24/732792324.db2.gz XSYMJKLIFZWNAN-UHFFFAOYSA-N 1 1 368.300 3.324 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCO[C@@H](C(F)F)CC3)cc2)CC1 ZINC000872272691 735611337 /nfs/dbraw/zinc/61/13/37/735611337.db2.gz QLVXOPWLUVXNFW-GOSISDBHSA-N 1 1 354.441 3.158 20 10 FGCDMO CO[C@@H]1C[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)Cc3cccnc3N2C1 ZINC000877687618 736705067 /nfs/dbraw/zinc/70/50/67/736705067.db2.gz KRCTUCJNMVVDAG-DLBZAZTESA-N 1 1 359.857 3.050 20 10 FGCDMO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]Cc3cccc(Br)c3O)O2)[C@H]1C ZINC000886341040 739247201 /nfs/dbraw/zinc/24/72/01/739247201.db2.gz OOURSKQANPKIKI-NOSGZIGASA-N 1 1 370.287 3.217 20 10 FGCDMO C[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1cccc(NS(C)(=O)=O)c1 ZINC000886516390 739264196 /nfs/dbraw/zinc/26/41/96/739264196.db2.gz GOVPLHKMLPBGBO-RYUDHWBXSA-N 1 1 352.431 3.315 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1c(O)cccc1F ZINC000886600989 739273469 /nfs/dbraw/zinc/27/34/69/739273469.db2.gz HCBSJUSZFUASJX-SNVBAGLBSA-N 1 1 357.834 3.439 20 10 FGCDMO COc1cc(C)cc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000893919908 742213254 /nfs/dbraw/zinc/21/32/54/742213254.db2.gz MCZSCVQTVAWPCD-AWEZNQCLSA-N 1 1 363.479 3.306 20 10 FGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000893919908 742213255 /nfs/dbraw/zinc/21/32/55/742213255.db2.gz MCZSCVQTVAWPCD-AWEZNQCLSA-N 1 1 363.479 3.306 20 10 FGCDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)s1 ZINC000893983971 742222512 /nfs/dbraw/zinc/22/25/12/742222512.db2.gz IOKSAFBDDBEJCW-UHFFFAOYSA-N 1 1 366.433 3.435 20 10 FGCDMO C[C@H](NC(=O)NCc1cccc(Cl)c1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000894107666 742240242 /nfs/dbraw/zinc/24/02/42/742240242.db2.gz QUGFUWJQVQOBOJ-DZGCQCFKSA-N 1 1 365.905 3.498 20 10 FGCDMO COc1ccc(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c(O)c1OC ZINC000894696038 742319906 /nfs/dbraw/zinc/31/99/06/742319906.db2.gz VNHJWSLFYDTVQD-OAHLLOKOSA-N 1 1 351.830 3.228 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]CCOC2CCSCC2)c1 ZINC000898439306 742794423 /nfs/dbraw/zinc/79/44/23/742794423.db2.gz IUTPZXFVCOXLGJ-UHFFFAOYSA-N 1 1 360.317 3.465 20 10 FGCDMO C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1cc(Br)c(F)cc1O ZINC000903274187 743833726 /nfs/dbraw/zinc/83/37/26/743833726.db2.gz JLPJAAKUIRZNOS-SECBINFHSA-N 1 1 360.202 3.311 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(Cl)c(Cl)cc1O ZINC000903396422 743844765 /nfs/dbraw/zinc/84/47/65/743844765.db2.gz LVYBECZIJYQOLM-VHSXEESVSA-N 1 1 369.252 3.124 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1c(O)cccc1F ZINC000903477526 743854466 /nfs/dbraw/zinc/85/44/66/743854466.db2.gz AMCVFXYNABVTCN-VHSXEESVSA-N 1 1 354.223 3.156 20 10 FGCDMO CC[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccc(F)cc1O ZINC000926905372 759841148 /nfs/dbraw/zinc/84/11/48/759841148.db2.gz LYIJPQYGEVCTPH-INIZCTEOSA-N 1 1 351.443 3.218 20 10 FGCDMO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000927040036 759881702 /nfs/dbraw/zinc/88/17/02/759881702.db2.gz SQZAOILVSLPNOW-UBJLHIIHSA-N 1 1 364.294 3.458 20 10 FGCDMO Cc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000072952763 494289772 /nfs/dbraw/zinc/28/97/72/494289772.db2.gz JEZMEZHGNXIRGW-SFHVURJKSA-N 1 1 354.450 3.320 20 10 FGCDMO Cc1ccccc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000072952763 494289777 /nfs/dbraw/zinc/28/97/77/494289777.db2.gz JEZMEZHGNXIRGW-SFHVURJKSA-N 1 1 354.450 3.320 20 10 FGCDMO CCOc1cccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c1O ZINC000092645234 494694104 /nfs/dbraw/zinc/69/41/04/494694104.db2.gz LFYFYHIUSDMCLE-UHFFFAOYSA-N 1 1 369.509 3.325 20 10 FGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)N1CCN(C)CC1 ZINC000127586976 494966900 /nfs/dbraw/zinc/96/69/00/494966900.db2.gz KYHRXEISKRBGFQ-UXHICEINSA-N 1 1 358.574 3.354 20 10 FGCDMO Cc1nc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3O)CC2)cs1 ZINC000120242833 495334325 /nfs/dbraw/zinc/33/43/25/495334325.db2.gz STAOBYDACIRHEO-UHFFFAOYSA-N 1 1 359.495 3.028 20 10 FGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000179616697 495661200 /nfs/dbraw/zinc/66/12/00/495661200.db2.gz MSWWZDRLQYPRCK-UHFFFAOYSA-N 1 1 356.466 3.172 20 10 FGCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183467695 495997177 /nfs/dbraw/zinc/99/71/77/495997177.db2.gz IKHSIRHXQSQBEQ-LPHOPBHVSA-N 1 1 368.477 3.057 20 10 FGCDMO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000186587702 496058553 /nfs/dbraw/zinc/05/85/53/496058553.db2.gz QSDSJWDAMNNVKP-PMACEKPBSA-N 1 1 358.574 3.354 20 10 FGCDMO C[C@@H](c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1)[NH+]1CCOCC1 ZINC000180757949 496134493 /nfs/dbraw/zinc/13/44/93/496134493.db2.gz XOOLJYADVDIDHJ-RUFWOKOUSA-N 1 1 368.433 3.143 20 10 FGCDMO COc1ccc(N2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)CC2)cc1 ZINC000172052713 496143193 /nfs/dbraw/zinc/14/31/93/496143193.db2.gz AUWFFYRWTQEVEU-UHFFFAOYSA-N 1 1 370.497 3.144 20 10 FGCDMO COc1cc(Cl)cc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1O ZINC000187660127 496524175 /nfs/dbraw/zinc/52/41/75/496524175.db2.gz JHVHKFKGUVYCIO-UHFFFAOYSA-N 1 1 351.752 3.398 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000265001153 497028641 /nfs/dbraw/zinc/02/86/41/497028641.db2.gz ZSASXUNYGZPWCJ-UHFFFAOYSA-N 1 1 350.212 3.216 20 10 FGCDMO CCn1nc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000274453460 497101288 /nfs/dbraw/zinc/10/12/88/497101288.db2.gz RKWZQMAQSRGLER-UHFFFAOYSA-N 1 1 368.456 3.322 20 10 FGCDMO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237560990 497256253 /nfs/dbraw/zinc/25/62/53/497256253.db2.gz KQXSMSHHRIYFJH-LAUBAEHRSA-N 1 1 351.494 3.323 20 10 FGCDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2ccc(N)cc2)C1 ZINC000237671644 497273745 /nfs/dbraw/zinc/27/37/45/497273745.db2.gz ZPKIGVBHGFDKSE-KRWDZBQOSA-N 1 1 351.494 3.360 20 10 FGCDMO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3cscn3)CC2)cc1 ZINC000271152043 497274494 /nfs/dbraw/zinc/27/44/94/497274494.db2.gz QOKDOKRXOWSXAW-MRXNPFEDSA-N 1 1 360.527 3.015 20 10 FGCDMO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000275827419 497441463 /nfs/dbraw/zinc/44/14/63/497441463.db2.gz HHFMNFAIKWKLEW-DZKIICNBSA-N 1 1 358.461 3.389 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000364628093 498056783 /nfs/dbraw/zinc/05/67/83/498056783.db2.gz DOCZRAYBXHKVFC-AWEZNQCLSA-N 1 1 368.433 3.477 20 10 FGCDMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cc(C)c(C)cc2O)CC1 ZINC000292696005 498112655 /nfs/dbraw/zinc/11/26/55/498112655.db2.gz BUKYHYFJOOEKGN-UHFFFAOYSA-N 1 1 373.522 3.479 20 10 FGCDMO CC[C@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1)c1ccc(F)cc1O ZINC000285512063 498113666 /nfs/dbraw/zinc/11/36/66/498113666.db2.gz ATCZWLSXRVXMLM-PXAZEXFGSA-N 1 1 366.458 3.241 20 10 FGCDMO CCN(CC)c1ccc(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)cc1F ZINC000290706324 498653448 /nfs/dbraw/zinc/65/34/48/498653448.db2.gz GIZPVIWOASSKAC-INIZCTEOSA-N 1 1 358.461 3.056 20 10 FGCDMO COCCSCCC[N@@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000365841357 498666263 /nfs/dbraw/zinc/66/62/63/498666263.db2.gz AVCUJHKZJJQLRN-UHFFFAOYSA-N 1 1 352.544 3.366 20 10 FGCDMO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c(C)n1-c1ccccn1 ZINC000298562050 498815024 /nfs/dbraw/zinc/81/50/24/498815024.db2.gz NTXNKSWFBFATKP-KRWDZBQOSA-N 1 1 352.438 3.115 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1OC ZINC000291155876 498820864 /nfs/dbraw/zinc/82/08/64/498820864.db2.gz BUQRLRUNCAQSLJ-JOCHJYFZSA-N 1 1 371.477 3.227 20 10 FGCDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000366332264 498877977 /nfs/dbraw/zinc/87/79/77/498877977.db2.gz YWWBJEAIWLFANX-JXFKEZNVSA-N 1 1 357.885 3.274 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](n4cc(C)cn4)C3)cc2)CC1 ZINC000295275936 498963342 /nfs/dbraw/zinc/96/33/42/498963342.db2.gz ZVYNSBRRQRZQCY-HXUWFJFHSA-N 1 1 354.498 3.254 20 10 FGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363913188 499050253 /nfs/dbraw/zinc/05/02/53/499050253.db2.gz GYYJNLQLPUBKJL-CTNGQTDRSA-N 1 1 370.541 3.445 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000284239005 499074339 /nfs/dbraw/zinc/07/43/39/499074339.db2.gz DYDCQIZJZMCCNE-AUUYWEPGSA-N 1 1 372.465 3.141 20 10 FGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nnc(-c3ccncc3F)s2)c1 ZINC000366821971 499086082 /nfs/dbraw/zinc/08/60/82/499086082.db2.gz FNYIPDMWPYINCN-JTQLQIEISA-N 1 1 360.414 3.304 20 10 FGCDMO CN1CCCc2cc(C[NH2+][C@@H]3CCS(=O)(=O)c4ccc(F)cc43)ccc21 ZINC000372584664 499149241 /nfs/dbraw/zinc/14/92/41/499149241.db2.gz OVGROKVQPJPIMU-GOSISDBHSA-N 1 1 374.481 3.216 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1O ZINC000370050294 499171342 /nfs/dbraw/zinc/17/13/42/499171342.db2.gz OUGAAJSWIPASQT-UHFFFAOYSA-N 1 1 374.872 3.139 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1O ZINC000370050294 499171345 /nfs/dbraw/zinc/17/13/45/499171345.db2.gz OUGAAJSWIPASQT-UHFFFAOYSA-N 1 1 374.872 3.139 20 10 FGCDMO Cc1nc(CN(C)[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC000370225757 499199231 /nfs/dbraw/zinc/19/92/31/499199231.db2.gz XVLVDOBHWJCOSM-MRXNPFEDSA-N 1 1 364.877 3.224 20 10 FGCDMO COc1ccc(O)c(C[NH2+][C@H](C)c2nc(-c3ccccc3OC)no2)c1 ZINC000370510502 499227407 /nfs/dbraw/zinc/22/74/07/499227407.db2.gz XQNYEJAVAGYREX-GFCCVEGCSA-N 1 1 355.394 3.310 20 10 FGCDMO Cc1cccc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)cn3C)CC2)c1O ZINC000367725038 499228443 /nfs/dbraw/zinc/22/84/43/499228443.db2.gz RABWIJHUCZVYKL-UHFFFAOYSA-N 1 1 361.873 3.041 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CCCN(C(=O)c3ccoc3)CC2)c(O)c1 ZINC000371412580 499323334 /nfs/dbraw/zinc/32/33/34/499323334.db2.gz WSLIIYGGNWHMTB-UHFFFAOYSA-N 1 1 358.438 3.122 20 10 FGCDMO CCc1nc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(OC)c3O)C2)no1 ZINC000368708849 499324327 /nfs/dbraw/zinc/32/43/27/499324327.db2.gz XXPQEUSEEJPLPZ-LLVKDONJSA-N 1 1 351.834 3.379 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)ccc21 ZINC000371534242 499338907 /nfs/dbraw/zinc/33/89/07/499338907.db2.gz NDDXUCTXOBSANR-DYESRHJHSA-N 1 1 369.509 3.071 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)Nc3ncccc3C)C2)c1 ZINC000378332300 499502373 /nfs/dbraw/zinc/50/23/73/499502373.db2.gz HUKUBRDDUUIBMP-MRXNPFEDSA-N 1 1 369.465 3.345 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c(O)c1 ZINC000375300284 499504688 /nfs/dbraw/zinc/50/46/88/499504688.db2.gz YMQYLRKAKBRKAC-NRFANRHFSA-N 1 1 352.434 3.277 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCCN(Cc3cnn(C(C)C)c3)CC2)c1 ZINC000375975513 499573255 /nfs/dbraw/zinc/57/32/55/499573255.db2.gz MWNBQGKFSJHFJT-QGZVFWFLSA-N 1 1 372.513 3.447 20 10 FGCDMO C[C@@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(N(C)C)cc1 ZINC000376194096 499590243 /nfs/dbraw/zinc/59/02/43/499590243.db2.gz GWQLJMNRTRISSS-OCCSQVGLSA-N 1 1 367.419 3.320 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376575472 499620014 /nfs/dbraw/zinc/62/00/14/499620014.db2.gz VCOGXCQYVATWNJ-QWHCGFSZSA-N 1 1 358.269 3.125 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376575472 499620015 /nfs/dbraw/zinc/62/00/15/499620015.db2.gz VCOGXCQYVATWNJ-QWHCGFSZSA-N 1 1 358.269 3.125 20 10 FGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000377936355 499749413 /nfs/dbraw/zinc/74/94/13/499749413.db2.gz DUXYRLHYIWCAHW-IBGZPJMESA-N 1 1 352.482 3.409 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)ccc21 ZINC000425061394 500008819 /nfs/dbraw/zinc/00/88/19/500008819.db2.gz ZBEGMLPIZUQWDU-GHTZIAJQSA-N 1 1 369.509 3.071 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCO[C@H](C)C2)C1 ZINC000435734632 501020457 /nfs/dbraw/zinc/02/04/57/501020457.db2.gz GOQNAAHNYYMLNQ-QGZVFWFLSA-N 1 1 369.509 3.045 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](C)[C@@H]2C)C1 ZINC000435911264 501045165 /nfs/dbraw/zinc/04/51/65/501045165.db2.gz KGCODUPZVHCSMQ-DLBZAZTESA-N 1 1 369.509 3.044 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH+](C4CCC4)CC3)ccc21 ZINC000499635877 503447716 /nfs/dbraw/zinc/44/77/16/503447716.db2.gz YDERHJBQUPIYDA-UHFFFAOYSA-N 1 1 369.509 3.215 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccccn2)C1 ZINC000565152326 504808902 /nfs/dbraw/zinc/80/89/02/504808902.db2.gz KTMINYQUGXDBRT-UHFFFAOYSA-N 1 1 362.477 3.119 20 10 FGCDMO CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458190 600717951 /nfs/dbraw/zinc/71/79/51/600717951.db2.gz KGYZKOLACRHFJV-OAHLLOKOSA-N 1 1 356.466 3.407 20 10 FGCDMO CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458190 600717953 /nfs/dbraw/zinc/71/79/53/600717953.db2.gz KGYZKOLACRHFJV-OAHLLOKOSA-N 1 1 356.466 3.407 20 10 FGCDMO CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458190 600717955 /nfs/dbraw/zinc/71/79/55/600717955.db2.gz KGYZKOLACRHFJV-OAHLLOKOSA-N 1 1 356.466 3.407 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](CCCO)CC(C)(C)C)c1O ZINC000093145974 700447563 /nfs/dbraw/zinc/44/75/63/700447563.db2.gz PBJNPGFBBBRJQW-UHFFFAOYSA-N 1 1 360.292 3.394 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1O ZINC000093643859 700452709 /nfs/dbraw/zinc/45/27/09/700452709.db2.gz HCWBTVIFXKWHAS-RISCZKNCSA-N 1 1 357.292 3.078 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000093647113 700453049 /nfs/dbraw/zinc/45/30/49/700453049.db2.gz XABQPPYGDUZODB-MOPGFXCFSA-N 1 1 352.544 3.320 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC000093757526 700454022 /nfs/dbraw/zinc/45/40/22/700454022.db2.gz ZAJYVHLILVBXJO-HNNXBMFYSA-N 1 1 350.459 3.280 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)c1 ZINC000093771179 700454194 /nfs/dbraw/zinc/45/41/94/700454194.db2.gz PKGLTKOYGFQHMW-AWEZNQCLSA-N 1 1 360.420 3.497 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)CCc2ccccn2)c1O ZINC000120791739 700660155 /nfs/dbraw/zinc/66/01/55/700660155.db2.gz BXLHCLXZDYVGCV-UHFFFAOYSA-N 1 1 351.244 3.233 20 10 FGCDMO CNC(=O)c1ccc(C[N@H+](C)Cc2cccc(Br)c2O)cc1 ZINC000121166680 700667444 /nfs/dbraw/zinc/66/74/44/700667444.db2.gz WLHKBZKRQFRBNU-UHFFFAOYSA-N 1 1 363.255 3.146 20 10 FGCDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2cccc(Br)c2O)cc1 ZINC000121166680 700667446 /nfs/dbraw/zinc/66/74/46/700667446.db2.gz WLHKBZKRQFRBNU-UHFFFAOYSA-N 1 1 363.255 3.146 20 10 FGCDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCCSc1nccs1 ZINC000153755435 705011298 /nfs/dbraw/zinc/01/12/98/705011298.db2.gz RIMPKWCQAHCAKH-AWEZNQCLSA-N 1 1 356.561 3.189 20 10 FGCDMO Cc1cc([C@@](C)(O)C[NH2+]Cc2cccc(Br)c2O)c(C)o1 ZINC000174441512 705504271 /nfs/dbraw/zinc/50/42/71/705504271.db2.gz USVJCGJUHLAVMD-INIZCTEOSA-N 1 1 354.244 3.362 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC000802655040 724397959 /nfs/dbraw/zinc/39/79/59/724397959.db2.gz PDDUCXOGBRADFM-LJQANCHMSA-N 1 1 350.459 3.138 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000781636406 724581527 /nfs/dbraw/zinc/58/15/27/724581527.db2.gz WNJQYRGSBPSIMZ-CQSZACIVSA-N 1 1 370.287 3.281 20 10 FGCDMO O=c1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)nc2sccn21 ZINC000731845948 722478537 /nfs/dbraw/zinc/47/85/37/722478537.db2.gz OTLBUYMBTYILCI-UHFFFAOYSA-N 1 1 355.463 3.406 20 10 FGCDMO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000763379676 723338811 /nfs/dbraw/zinc/33/88/11/723338811.db2.gz CZLAKWLZENPYHF-AWEZNQCLSA-N 1 1 359.447 3.301 20 10 FGCDMO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000763379676 723338817 /nfs/dbraw/zinc/33/88/17/723338817.db2.gz CZLAKWLZENPYHF-AWEZNQCLSA-N 1 1 359.447 3.301 20 10 FGCDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000764357243 723408221 /nfs/dbraw/zinc/40/82/21/723408221.db2.gz XUITZJZYXRZRKS-GOSISDBHSA-N 1 1 361.555 3.121 20 10 FGCDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766165401 723559148 /nfs/dbraw/zinc/55/91/48/723559148.db2.gz HQAPOVXFWNLTIJ-OWCLPIDISA-N 1 1 351.922 3.310 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766165401 723559150 /nfs/dbraw/zinc/55/91/50/723559150.db2.gz HQAPOVXFWNLTIJ-OWCLPIDISA-N 1 1 351.922 3.310 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1 ZINC000796147483 723623637 /nfs/dbraw/zinc/62/36/37/723623637.db2.gz WTDZMWAXAAZMEO-HNNXBMFYSA-N 1 1 357.420 3.033 20 10 FGCDMO CNC(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1ccccc1 ZINC000796614354 723646778 /nfs/dbraw/zinc/64/67/78/723646778.db2.gz WMLIHNJPRYGXHI-QGZVFWFLSA-N 1 1 360.841 3.215 20 10 FGCDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439462 723657547 /nfs/dbraw/zinc/65/75/47/723657547.db2.gz MDRJRSFSCAEEPR-INIZCTEOSA-N 1 1 353.340 3.469 20 10 FGCDMO CC[NH+]1CCN(c2cccc(NC(=O)c3c(O)cccc3Cl)c2)CC1 ZINC000771637662 723739328 /nfs/dbraw/zinc/73/93/28/723739328.db2.gz RDLKKSWSGPSYAQ-UHFFFAOYSA-N 1 1 359.857 3.440 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@H]2CCSC2)C1 ZINC000774079328 723857058 /nfs/dbraw/zinc/85/70/58/723857058.db2.gz XCVCWJYWLMRXDR-HNNXBMFYSA-N 1 1 358.507 3.457 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H](C)Oc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000775028977 723953757 /nfs/dbraw/zinc/95/37/57/723953757.db2.gz ILGIXDOYROLZFC-NSHDSACASA-N 1 1 350.346 3.005 20 10 FGCDMO Cn1c(Cl)nc(Cl)c1C[NH2+]Cc1cccc(Br)c1O ZINC000775151566 723964785 /nfs/dbraw/zinc/96/47/85/723964785.db2.gz ICNSLUPJFZIMFG-UHFFFAOYSA-N 1 1 365.058 3.485 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]Cc1ccccc1-n1cncn1 ZINC000775153940 723965341 /nfs/dbraw/zinc/96/53/41/723965341.db2.gz XKXYWOHJIDJEHS-UHFFFAOYSA-N 1 1 359.227 3.025 20 10 FGCDMO CCCNC(=O)C[N@@H+](CCC)Cc1cc(Br)cc(C)c1O ZINC000775659107 724017337 /nfs/dbraw/zinc/01/73/37/724017337.db2.gz XECMYAKZTOPSDK-UHFFFAOYSA-N 1 1 357.292 3.201 20 10 FGCDMO COc1cccc(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000775968249 724090467 /nfs/dbraw/zinc/09/04/67/724090467.db2.gz IDXUGRCTGNZOJP-UONOGXRCSA-N 1 1 350.459 3.231 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCCN(c3ncccc3F)CC2)c1O ZINC000784675882 724871685 /nfs/dbraw/zinc/87/16/85/724871685.db2.gz OKJNQBZLAFFIEK-UHFFFAOYSA-N 1 1 365.836 3.301 20 10 FGCDMO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805198174 725055894 /nfs/dbraw/zinc/05/58/94/725055894.db2.gz MGYMPHRVABGSKP-LBPRGKRZSA-N 1 1 374.312 3.476 20 10 FGCDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805198174 725055896 /nfs/dbraw/zinc/05/58/96/725055896.db2.gz MGYMPHRVABGSKP-LBPRGKRZSA-N 1 1 374.312 3.476 20 10 FGCDMO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806599231 725136545 /nfs/dbraw/zinc/13/65/45/725136545.db2.gz QQKUNVXDCSZXGY-GFCCVEGCSA-N 1 1 362.326 3.147 20 10 FGCDMO CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806599231 725136546 /nfs/dbraw/zinc/13/65/46/725136546.db2.gz QQKUNVXDCSZXGY-GFCCVEGCSA-N 1 1 362.326 3.147 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1O ZINC000808200317 725187979 /nfs/dbraw/zinc/18/79/79/725187979.db2.gz LMXDMXZPGJCZKR-ZFWWWQNUSA-N 1 1 350.459 3.197 20 10 FGCDMO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000809779366 725268123 /nfs/dbraw/zinc/26/81/23/725268123.db2.gz KWISUATUXSXTLH-CYBMUJFWSA-N 1 1 371.275 3.174 20 10 FGCDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000809779366 725268125 /nfs/dbraw/zinc/26/81/25/725268125.db2.gz KWISUATUXSXTLH-CYBMUJFWSA-N 1 1 371.275 3.174 20 10 FGCDMO CSCC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)C(=O)N(C)C ZINC000815627023 727087248 /nfs/dbraw/zinc/08/72/48/727087248.db2.gz QZLNGZBUEUGGNH-MFKMUULPSA-N 1 1 364.433 3.272 20 10 FGCDMO COc1ccncc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000815630003 727087683 /nfs/dbraw/zinc/08/76/83/727087683.db2.gz UQQUISZXPOTESW-AWEZNQCLSA-N 1 1 361.873 3.431 20 10 FGCDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816522037 727171288 /nfs/dbraw/zinc/17/12/88/727171288.db2.gz HUQASZSEDWQBQG-CJNGLKHVSA-N 1 1 353.825 3.006 20 10 FGCDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816522037 727171290 /nfs/dbraw/zinc/17/12/90/727171290.db2.gz HUQASZSEDWQBQG-CJNGLKHVSA-N 1 1 353.825 3.006 20 10 FGCDMO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816558662 727175740 /nfs/dbraw/zinc/17/57/40/727175740.db2.gz IKNFEWQXPPXXEA-LLVKDONJSA-N 1 1 361.804 3.073 20 10 FGCDMO Oc1cc(F)c(Cl)cc1CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000816616717 727181018 /nfs/dbraw/zinc/18/10/18/727181018.db2.gz DEQPWYKYETZPFH-HNNXBMFYSA-N 1 1 350.821 3.363 20 10 FGCDMO COc1cc(Br)cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000816642759 727184431 /nfs/dbraw/zinc/18/44/31/727184431.db2.gz KCKMNEOCMBZFFQ-KRWDZBQOSA-N 1 1 369.303 3.081 20 10 FGCDMO O=C(CCCc1ccccc1)NCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000818225913 727302373 /nfs/dbraw/zinc/30/23/73/727302373.db2.gz WGGDQYCBVQRPPL-UHFFFAOYSA-N 1 1 364.848 3.413 20 10 FGCDMO COc1ccc(Br)c([C@@H](CO)[N@H+](C)Cc2ccccc2O)c1 ZINC000824738648 729357171 /nfs/dbraw/zinc/35/71/71/729357171.db2.gz PMPXTZSXMUCTTK-MRXNPFEDSA-N 1 1 366.255 3.329 20 10 FGCDMO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)Cc2ccccc2O)c1 ZINC000824738648 729357172 /nfs/dbraw/zinc/35/71/72/729357172.db2.gz PMPXTZSXMUCTTK-MRXNPFEDSA-N 1 1 366.255 3.329 20 10 FGCDMO COC[C@@H](CC1CCOCC1)[NH2+]Cc1cccc(Br)c1O ZINC000825710246 729392340 /nfs/dbraw/zinc/39/23/40/729392340.db2.gz JMZWBQJUCXWOEA-CQSZACIVSA-N 1 1 358.276 3.076 20 10 FGCDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000826893782 729418174 /nfs/dbraw/zinc/41/81/74/729418174.db2.gz BFUCSDSSWIHKPU-CABCVRRESA-N 1 1 358.404 3.234 20 10 FGCDMO CC1(c2nnc(C3CCOCC3)o2)C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000828036976 729438973 /nfs/dbraw/zinc/43/89/73/729438973.db2.gz ZNSYCMYHJJOYOW-UHFFFAOYSA-N 1 1 363.845 3.096 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](O)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000830051574 729532950 /nfs/dbraw/zinc/53/29/50/729532950.db2.gz BFRWUUWCCIOTHH-INIZCTEOSA-N 1 1 361.873 3.172 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@H](O)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000830051574 729532953 /nfs/dbraw/zinc/53/29/53/729532953.db2.gz BFRWUUWCCIOTHH-INIZCTEOSA-N 1 1 361.873 3.172 20 10 FGCDMO CC[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)[C@@H](O)C(F)F ZINC000834875683 729840954 /nfs/dbraw/zinc/84/09/54/729840954.db2.gz RONWTAMGTJTUTQ-MDSUWVFBSA-N 1 1 356.182 3.349 20 10 FGCDMO C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cn1 ZINC000840759812 730170366 /nfs/dbraw/zinc/17/03/66/730170366.db2.gz NUUSDDFTDKHFTK-LBPRGKRZSA-N 1 1 351.372 3.186 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Br)c(F)cc1O ZINC000840887551 730188461 /nfs/dbraw/zinc/18/84/61/730188461.db2.gz ZUGMUPDDRWNDJT-QUUYKZCZSA-N 1 1 368.193 3.493 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)c1O ZINC000840975214 730199802 /nfs/dbraw/zinc/19/98/02/730199802.db2.gz UPZSNHFPCSXPFB-HNNXBMFYSA-N 1 1 352.862 3.031 20 10 FGCDMO NC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C1CC1 ZINC000841029582 730204893 /nfs/dbraw/zinc/20/48/93/730204893.db2.gz WMNSYZQBNJJPSK-MRXNPFEDSA-N 1 1 352.320 3.266 20 10 FGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccccc2OC(F)(F)F)cc1 ZINC000841042945 730205734 /nfs/dbraw/zinc/20/57/34/730205734.db2.gz NABAHNARHLSIJD-INIZCTEOSA-N 1 1 353.388 3.441 20 10 FGCDMO CC(=O)NCC[N@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000843427456 730619712 /nfs/dbraw/zinc/61/97/12/730619712.db2.gz BQTKIIWBDXDGGY-UHFFFAOYSA-N 1 1 368.319 3.007 20 10 FGCDMO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000844858671 730781306 /nfs/dbraw/zinc/78/13/06/730781306.db2.gz MHKUYSJTEIIDFM-KRWDZBQOSA-N 1 1 359.857 3.119 20 10 FGCDMO OC1CCN(c2ccc(C[NH2+]Cc3ncc(C(F)(F)F)s3)cc2)CC1 ZINC000850406814 731353333 /nfs/dbraw/zinc/35/33/33/731353333.db2.gz UYXNLGKNVGSWRN-UHFFFAOYSA-N 1 1 371.428 3.413 20 10 FGCDMO CCOCc1cc(C[NH2+][C@H](CO)c2ccc(F)cc2F)ccc1OC ZINC000850409818 731353912 /nfs/dbraw/zinc/35/39/12/731353912.db2.gz AFVVKDOCVQBYRL-GOSISDBHSA-N 1 1 351.393 3.333 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1[O-] ZINC000850510564 731366869 /nfs/dbraw/zinc/36/68/69/731366869.db2.gz YITUMFLOWNZUET-KBXCAEBGSA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1[O-] ZINC000850510564 731366872 /nfs/dbraw/zinc/36/68/72/731366872.db2.gz YITUMFLOWNZUET-KBXCAEBGSA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cc(Br)c(F)cc1O ZINC000850520433 731368871 /nfs/dbraw/zinc/36/88/71/731368871.db2.gz BJVXHGRHQIZOIM-JMCQJSRRSA-N 1 1 354.166 3.369 20 10 FGCDMO Cc1cc(C2([NH2+]Cc3cccc(Br)c3O)CCOCC2)on1 ZINC000858325757 732203313 /nfs/dbraw/zinc/20/33/13/732203313.db2.gz KMRFZKZCLABAPP-UHFFFAOYSA-N 1 1 367.243 3.247 20 10 FGCDMO C[C@@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1cc(F)cc(F)c1O ZINC000858483532 732219525 /nfs/dbraw/zinc/21/95/25/732219525.db2.gz QRQYALYHVKNDFO-LLVKDONJSA-N 1 1 365.367 3.278 20 10 FGCDMO C[C@H]([NH2+]CC1(OCCO)CCC(F)(F)CC1)c1cc(F)cc(F)c1O ZINC000858483533 732219592 /nfs/dbraw/zinc/21/95/92/732219592.db2.gz QRQYALYHVKNDFO-NSHDSACASA-N 1 1 365.367 3.278 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)ccc1[N+](=O)[O-] ZINC000862441295 732836665 /nfs/dbraw/zinc/83/66/65/732836665.db2.gz SVBLOZBQFLUMEV-NUEKZKHPSA-N 1 1 360.797 3.390 20 10 FGCDMO C[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)c1cccc(NS(C)(=O)=O)c1 ZINC000886516391 739264065 /nfs/dbraw/zinc/26/40/65/739264065.db2.gz GOVPLHKMLPBGBO-VXGBXAGGSA-N 1 1 352.431 3.315 20 10 FGCDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cs1 ZINC000886747123 739290756 /nfs/dbraw/zinc/29/07/56/739290756.db2.gz LQCUPPWMOUTMPP-CYBMUJFWSA-N 1 1 358.511 3.004 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000895823636 742458373 /nfs/dbraw/zinc/45/83/73/742458373.db2.gz SWLGSIPOEAVREH-KRWDZBQOSA-N 1 1 350.415 3.138 20 10 FGCDMO COc1cccc(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1O ZINC000897616650 742695970 /nfs/dbraw/zinc/69/59/70/742695970.db2.gz VNMGNCLJVMAQIN-LBPRGKRZSA-N 1 1 353.344 3.199 20 10 FGCDMO COC(=O)[C@H]1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000917479780 758226613 /nfs/dbraw/zinc/22/66/13/758226613.db2.gz GMFAFUYXFJLOKG-LBPRGKRZSA-N 1 1 364.239 3.303 20 10 FGCDMO CC[N@H+]1CCC[C@H]1CNC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917594616 758246180 /nfs/dbraw/zinc/24/61/80/758246180.db2.gz FZCOWWPOKDKTTN-IBGZPJMESA-N 1 1 360.571 3.076 20 10 FGCDMO Fc1cc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)ccc1N1CCOCC1 ZINC000921551978 758742277 /nfs/dbraw/zinc/74/22/77/758742277.db2.gz ITAUVAYMIPSJLI-UHFFFAOYSA-N 1 1 364.852 3.206 20 10 FGCDMO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000926909978 759844637 /nfs/dbraw/zinc/84/46/37/759844637.db2.gz RFMVFYDQTAYVPM-CYBMUJFWSA-N 1 1 351.443 3.218 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000092645340 494694604 /nfs/dbraw/zinc/69/46/04/494694604.db2.gz UDRHDRPMBRJNMJ-UHFFFAOYSA-N 1 1 369.509 3.325 20 10 FGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000179738702 495711947 /nfs/dbraw/zinc/71/19/47/495711947.db2.gz ORJZPEPQECRDAB-AWEZNQCLSA-N 1 1 350.459 3.138 20 10 FGCDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000182931897 495763133 /nfs/dbraw/zinc/76/31/33/495763133.db2.gz QSHXUPZAWDSVAB-LJQANCHMSA-N 1 1 368.477 3.319 20 10 FGCDMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000183006691 495795671 /nfs/dbraw/zinc/79/56/71/495795671.db2.gz ACVGRMFOQDJQOA-HRAATJIYSA-N 1 1 366.509 3.375 20 10 FGCDMO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000186346785 495958080 /nfs/dbraw/zinc/95/80/80/495958080.db2.gz YDRSDNJJUITCSQ-UHFFFAOYSA-N 1 1 370.497 3.123 20 10 FGCDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)cc(C(C)=O)c1O)CC2 ZINC000177290500 496007624 /nfs/dbraw/zinc/00/76/24/496007624.db2.gz XPMKZJRRGOHQEY-DLBZAZTESA-N 1 1 367.873 3.000 20 10 FGCDMO C[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cc(Cl)ccc1O ZINC000185041911 496634191 /nfs/dbraw/zinc/63/41/91/496634191.db2.gz DWCQVVQWWLIBPB-AWEZNQCLSA-N 1 1 360.889 3.043 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccccc1OCCN1CCOCC1)c1ccc(F)cc1O ZINC000185197616 496700742 /nfs/dbraw/zinc/70/07/42/496700742.db2.gz GVAFLCAKXVNAPB-MRXNPFEDSA-N 1 1 374.456 3.093 20 10 FGCDMO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000167896526 496707330 /nfs/dbraw/zinc/70/73/30/496707330.db2.gz DGMRKZUXJRGABA-VQIMIIECSA-N 1 1 369.513 3.424 20 10 FGCDMO Cc1ccc(N2CCC(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)[nH+]c1 ZINC000194893648 496751582 /nfs/dbraw/zinc/75/15/82/496751582.db2.gz FCJCAVJISLLHPH-UHFFFAOYSA-N 1 1 370.472 3.128 20 10 FGCDMO C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@]1=O ZINC000277699366 496858056 /nfs/dbraw/zinc/85/80/56/496858056.db2.gz RFJCIDVJCHXSDW-PUAOIOHZSA-N 1 1 359.491 3.314 20 10 FGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@]1=O ZINC000277699366 496858061 /nfs/dbraw/zinc/85/80/61/496858061.db2.gz RFJCIDVJCHXSDW-PUAOIOHZSA-N 1 1 359.491 3.314 20 10 FGCDMO C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@]1=O ZINC000277699377 496858525 /nfs/dbraw/zinc/85/85/25/496858525.db2.gz RFJCIDVJCHXSDW-IVCQMTBJSA-N 1 1 359.491 3.314 20 10 FGCDMO C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@]1=O ZINC000277699377 496858531 /nfs/dbraw/zinc/85/85/31/496858531.db2.gz RFJCIDVJCHXSDW-IVCQMTBJSA-N 1 1 359.491 3.314 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000278280456 497060869 /nfs/dbraw/zinc/06/08/69/497060869.db2.gz AVIMYOFISBSZQS-UHFFFAOYSA-N 1 1 351.292 3.319 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)cc1OC ZINC000284976802 497959517 /nfs/dbraw/zinc/95/95/17/497959517.db2.gz BMFYQMAPPBUQOP-UHFFFAOYSA-N 1 1 369.421 3.134 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1C[C@H](c3ccccc3)[C@H]3COCC[C@@H]31)OCO2 ZINC000285176809 498013754 /nfs/dbraw/zinc/01/37/54/498013754.db2.gz QTQRXBUKSMROAL-KURKYZTESA-N 1 1 353.418 3.125 20 10 FGCDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cccc(OC)c1O ZINC000289188127 498052278 /nfs/dbraw/zinc/05/22/78/498052278.db2.gz BFRBBSSFXVYSMR-IBGZPJMESA-N 1 1 355.482 3.282 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)ccc1[N+](=O)[O-] ZINC000292850005 498169674 /nfs/dbraw/zinc/16/96/74/498169674.db2.gz TZLPHANFFUJABL-QFYYESIMSA-N 1 1 364.423 3.163 20 10 FGCDMO C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000360963633 498327458 /nfs/dbraw/zinc/32/74/58/498327458.db2.gz YRFAWWHBXJRVLE-PKTZIBPZSA-N 1 1 365.521 3.231 20 10 FGCDMO COc1cc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(C)c3)CC2)cc1OC ZINC000301931793 498334339 /nfs/dbraw/zinc/33/43/39/498334339.db2.gz OXWBMZRMVVKDAB-UHFFFAOYSA-N 1 1 371.437 3.243 20 10 FGCDMO CCOC(=O)c1csc(CC[NH2+][C@@H](CC)c2ccc(F)cc2O)n1 ZINC000287634205 498820657 /nfs/dbraw/zinc/82/06/57/498820657.db2.gz UIBJPTWZDFNOMP-ZDUSSCGKSA-N 1 1 352.431 3.448 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1cnn(CC(F)F)c1)C[C@@H]1CCCO1 ZINC000294862047 498829926 /nfs/dbraw/zinc/82/99/26/498829926.db2.gz JNAALDXPEZGBJE-INIZCTEOSA-N 1 1 351.397 3.035 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)cc1F ZINC000295079841 498902397 /nfs/dbraw/zinc/90/23/97/498902397.db2.gz QFCBYDWHKCMHOM-SFHVURJKSA-N 1 1 362.493 3.255 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3nc(C)no3)cc2)CC1 ZINC000295712961 499086468 /nfs/dbraw/zinc/08/64/68/499086468.db2.gz GGLRXWPCEAJSIE-LJQANCHMSA-N 1 1 356.470 3.330 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3nc(C)no3)cc2)CC1 ZINC000295712961 499086473 /nfs/dbraw/zinc/08/64/73/499086473.db2.gz GGLRXWPCEAJSIE-LJQANCHMSA-N 1 1 356.470 3.330 20 10 FGCDMO COc1cccc(C(=O)N2CCC[N@@H+](Cc3cc(C)ccc3O)CC2)c1 ZINC000368581202 499309929 /nfs/dbraw/zinc/30/99/29/499309929.db2.gz FLSKYZTVHHIULB-UHFFFAOYSA-N 1 1 354.450 3.057 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC(Cn3nc(C)cc3C)CC2)ccc1[N+](=O)[O-] ZINC000373204539 499457136 /nfs/dbraw/zinc/45/71/36/499457136.db2.gz OOEIYUPUNQXZGA-UHFFFAOYSA-N 1 1 374.441 3.035 20 10 FGCDMO COc1cc(O)c(C[NH2+]C[C@H]2CCN(C)[C@H]2c2ccccc2)cc1OC ZINC000378522541 499527574 /nfs/dbraw/zinc/52/75/74/499527574.db2.gz SPCNDYZGNYJRSP-IERDGZPVSA-N 1 1 356.466 3.192 20 10 FGCDMO CCn1cnnc1[C@@H]1C[N@H+]([C@@H](C)c2cc3c(cc2O)CCCC3)CCO1 ZINC000375752585 499551673 /nfs/dbraw/zinc/55/16/73/499551673.db2.gz BOSWSCVDHPFPTK-LIRRHRJNSA-N 1 1 356.470 3.017 20 10 FGCDMO C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000377624057 499712387 /nfs/dbraw/zinc/71/23/87/499712387.db2.gz KNDKKPFIOFWLQG-AWEZNQCLSA-N 1 1 372.340 3.158 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N(C)C[C@H]3CCC[N@H+]3C)ccc21 ZINC000421708241 500124797 /nfs/dbraw/zinc/12/47/97/500124797.db2.gz ZTWNSDVBAQZMQF-GOSISDBHSA-N 1 1 357.498 3.071 20 10 FGCDMO CO[C@@H]1CCC[C@H]1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000453015946 501602125 /nfs/dbraw/zinc/60/21/25/501602125.db2.gz XPXLKTRTNRFAFP-WIYYLYMNSA-N 1 1 369.509 3.092 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[C@H](C)O2)C1 ZINC000457361576 501687358 /nfs/dbraw/zinc/68/73/58/501687358.db2.gz KRNHMIWTBXXEEN-DLBZAZTESA-N 1 1 369.509 3.092 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000490406605 503168951 /nfs/dbraw/zinc/16/89/51/503168951.db2.gz HJGKAJOIQAZDPE-JXXFODFXSA-N 1 1 368.525 3.358 20 10 FGCDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C[C@H]1C ZINC000498553260 503207825 /nfs/dbraw/zinc/20/78/25/503207825.db2.gz FECKEQLTAGVPKR-HZPDHXFCSA-N 1 1 371.525 3.459 20 10 FGCDMO Oc1cc2c(cc1C[N@@H+]1CCc3cccc(C(F)(F)F)c3C1)[C@H](O)CO2 ZINC000530107813 503839102 /nfs/dbraw/zinc/83/91/02/503839102.db2.gz KGYANUULSKJQEE-QGZVFWFLSA-N 1 1 365.351 3.395 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCc3cccc(C(F)(F)F)c3C1)[C@H](O)CO2 ZINC000530107813 503839107 /nfs/dbraw/zinc/83/91/07/503839107.db2.gz KGYANUULSKJQEE-QGZVFWFLSA-N 1 1 365.351 3.395 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[C@H](F)C2)C1 ZINC000557953272 505270673 /nfs/dbraw/zinc/27/06/73/505270673.db2.gz YUCFWEFMYMCRCW-JKSUJKDBSA-N 1 1 357.473 3.415 20 10 FGCDMO C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927699 604767808 /nfs/dbraw/zinc/76/78/08/604767808.db2.gz BNIQBXMZLBNFDT-KXBFYZLASA-N 1 1 354.450 3.160 20 10 FGCDMO C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927699 604767810 /nfs/dbraw/zinc/76/78/10/604767810.db2.gz BNIQBXMZLBNFDT-KXBFYZLASA-N 1 1 354.450 3.160 20 10 FGCDMO C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927699 604767812 /nfs/dbraw/zinc/76/78/12/604767812.db2.gz BNIQBXMZLBNFDT-KXBFYZLASA-N 1 1 354.450 3.160 20 10 FGCDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000093317185 700450244 /nfs/dbraw/zinc/45/02/44/700450244.db2.gz FTYMURHQNUSVMP-SFHVURJKSA-N 1 1 350.478 3.443 20 10 FGCDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(Br)ccc2O)cc1 ZINC000093415237 700451081 /nfs/dbraw/zinc/45/10/81/700451081.db2.gz YCXFTRPKWUHMAK-INIZCTEOSA-N 1 1 366.255 3.329 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1O ZINC000093643857 700452929 /nfs/dbraw/zinc/45/29/29/700452929.db2.gz HCWBTVIFXKWHAS-BXUZGUMPSA-N 1 1 357.292 3.078 20 10 FGCDMO CCOC(=O)N(C)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000130858867 700807022 /nfs/dbraw/zinc/80/70/22/700807022.db2.gz SAQAGDMIOAFUGP-UHFFFAOYSA-N 1 1 371.275 3.207 20 10 FGCDMO Cc1cccc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000136966319 704866913 /nfs/dbraw/zinc/86/69/13/704866913.db2.gz VBHSAHDZDKJKBV-HNNXBMFYSA-N 1 1 363.255 3.122 20 10 FGCDMO Cc1cccc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000136966319 704866918 /nfs/dbraw/zinc/86/69/18/704866918.db2.gz VBHSAHDZDKJKBV-HNNXBMFYSA-N 1 1 363.255 3.122 20 10 FGCDMO COc1cc(C[N@H+]2CCCN(CC(F)F)CC2)c(O)c(C(C)(C)C)c1 ZINC000159663857 705230303 /nfs/dbraw/zinc/23/03/03/705230303.db2.gz RDTCENOUQGJILT-UHFFFAOYSA-N 1 1 356.457 3.471 20 10 FGCDMO COC(=O)c1ccc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC000163067694 705308193 /nfs/dbraw/zinc/30/81/93/705308193.db2.gz MUZTYCUALAQJBN-UHFFFAOYSA-N 1 1 360.479 3.256 20 10 FGCDMO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(O)c1O ZINC000177677450 705634905 /nfs/dbraw/zinc/63/49/05/705634905.db2.gz NHRCEVYHZLYZPK-CQSZACIVSA-N 1 1 360.479 3.110 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000373974988 713889377 /nfs/dbraw/zinc/88/93/77/713889377.db2.gz GERFPRFLGNIKIU-FHSNZYRGSA-N 1 1 355.862 3.213 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000779164148 724397007 /nfs/dbraw/zinc/39/70/07/724397007.db2.gz WADJTTGTTFNZHP-ZIAGYGMSSA-N 1 1 350.459 3.136 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000779164139 724397178 /nfs/dbraw/zinc/39/71/78/724397178.db2.gz WADJTTGTTFNZHP-KBPBESRZSA-N 1 1 350.459 3.136 20 10 FGCDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000802652204 724397504 /nfs/dbraw/zinc/39/75/04/724397504.db2.gz PJIBEWRZOVMTCS-MRXNPFEDSA-N 1 1 360.420 3.399 20 10 FGCDMO CN(Cc1c(O)cccc1Cl)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000779225706 724400847 /nfs/dbraw/zinc/40/08/47/724400847.db2.gz VCPLWBBYLSMBJV-HXUWFJFHSA-N 1 1 360.885 3.114 20 10 FGCDMO CCc1[nH]ccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000802782319 724406566 /nfs/dbraw/zinc/40/65/66/724406566.db2.gz SAMHYZHRIQTMMG-OAHLLOKOSA-N 1 1 361.873 3.331 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC1CC[NH+](CC2CC2)CC1 ZINC000804934183 724566122 /nfs/dbraw/zinc/56/61/22/724566122.db2.gz XQESGSVBDIPRKD-UHFFFAOYSA-N 1 1 372.296 3.373 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000781632239 724580901 /nfs/dbraw/zinc/58/09/01/724580901.db2.gz QKFGTQZMRGMNSO-UHFFFAOYSA-N 1 1 362.267 3.083 20 10 FGCDMO COc1ccc(N2CC[NH+](CCCNCc3ccc(Cl)o3)CC2)cc1 ZINC000726708566 722437249 /nfs/dbraw/zinc/43/72/49/722437249.db2.gz OLXYHUNFCALQAA-UHFFFAOYSA-N 1 1 363.889 3.244 20 10 FGCDMO CCSCC[C@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749366963 722726312 /nfs/dbraw/zinc/72/63/12/722726312.db2.gz XRXACWHSUIDIQJ-INIZCTEOSA-N 1 1 351.560 3.175 20 10 FGCDMO COc1ncc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000751958443 722837696 /nfs/dbraw/zinc/83/76/96/722837696.db2.gz SDOCHSMVSUTYSC-UHFFFAOYSA-N 1 1 361.873 3.212 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(Br)c(F)cc1O ZINC000756490576 722965464 /nfs/dbraw/zinc/96/54/64/722965464.db2.gz WJFSTRXETRIBER-BDAKNGLRSA-N 1 1 361.255 3.248 20 10 FGCDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCSc2nccs2)C1 ZINC000759569109 723009537 /nfs/dbraw/zinc/00/95/37/723009537.db2.gz IMOLUBIBVDKULE-CQSZACIVSA-N 1 1 370.588 3.435 20 10 FGCDMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759600470 723011228 /nfs/dbraw/zinc/01/12/28/723011228.db2.gz GCUSLGOTSRBUBY-UHFFFAOYSA-N 1 1 370.588 3.387 20 10 FGCDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)[C@H](CC)CN1C(C)=O ZINC000761203372 723132878 /nfs/dbraw/zinc/13/28/78/723132878.db2.gz QTELCLINIZPSEN-HZPDHXFCSA-N 1 1 354.878 3.276 20 10 FGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)[C@H](CC)CN1C(C)=O ZINC000761203372 723132879 /nfs/dbraw/zinc/13/28/79/723132879.db2.gz QTELCLINIZPSEN-HZPDHXFCSA-N 1 1 354.878 3.276 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1O ZINC000761216806 723133908 /nfs/dbraw/zinc/13/39/08/723133908.db2.gz XVOSAGCYIPEPAG-SFHVURJKSA-N 1 1 351.805 3.287 20 10 FGCDMO Oc1c(Br)cccc1CNc1cc[nH+]cc1Br ZINC000792688777 723356895 /nfs/dbraw/zinc/35/68/95/723356895.db2.gz IFVBHMHSSQKASZ-UHFFFAOYSA-N 1 1 358.033 3.346 20 10 FGCDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000792926735 723383159 /nfs/dbraw/zinc/38/31/59/723383159.db2.gz NUOPMLHPIDWGBP-HNNXBMFYSA-N 1 1 352.862 3.129 20 10 FGCDMO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000796588727 723645428 /nfs/dbraw/zinc/64/54/28/723645428.db2.gz XILPJFYCGPBZIW-HNNXBMFYSA-N 1 1 352.862 3.129 20 10 FGCDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000796588727 723645429 /nfs/dbraw/zinc/64/54/29/723645429.db2.gz XILPJFYCGPBZIW-HNNXBMFYSA-N 1 1 352.862 3.129 20 10 FGCDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768437964 723657483 /nfs/dbraw/zinc/65/74/83/723657483.db2.gz LGUHRJAVIKDQQY-MRXNPFEDSA-N 1 1 353.340 3.469 20 10 FGCDMO COc1cc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c(O)cc1C ZINC000768442163 723657712 /nfs/dbraw/zinc/65/77/12/723657712.db2.gz JXCJBOXGKXSAEW-UHFFFAOYSA-N 1 1 360.479 3.119 20 10 FGCDMO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cc2c(cc1O)CCCC2 ZINC000768449512 723658013 /nfs/dbraw/zinc/65/80/13/723658013.db2.gz ZXOVTGZIDCRXGL-UHFFFAOYSA-N 1 1 359.491 3.307 20 10 FGCDMO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cc2c(cc1O)CCCC2 ZINC000768449512 723658014 /nfs/dbraw/zinc/65/80/14/723658014.db2.gz ZXOVTGZIDCRXGL-UHFFFAOYSA-N 1 1 359.491 3.307 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](CSc3ccccc3)C1)[C@@H](O)CO2 ZINC000768466143 723658455 /nfs/dbraw/zinc/65/84/55/723658455.db2.gz MUAIUAUUJIUPJH-LIRRHRJNSA-N 1 1 357.475 3.432 20 10 FGCDMO CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000771058309 723726946 /nfs/dbraw/zinc/72/69/46/723726946.db2.gz MMRBSESEWRSTLQ-JFIYKMOQSA-N 1 1 366.889 3.084 20 10 FGCDMO COc1cc([N+](=O)[O-])c(N2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000774516586 723901580 /nfs/dbraw/zinc/90/15/80/723901580.db2.gz AYKOZOYBVZNTEO-UHFFFAOYSA-N 1 1 351.447 3.169 20 10 FGCDMO CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1cc(Cl)ccc1[O-] ZINC000775541170 723999259 /nfs/dbraw/zinc/99/92/59/723999259.db2.gz RGFKLMQJVFCIJB-IRXDYDNUSA-N 1 1 369.937 3.179 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1O ZINC000775690775 724026012 /nfs/dbraw/zinc/02/60/12/724026012.db2.gz XFYLLLHCRKIWBL-DGCLKSJQSA-N 1 1 368.193 3.351 20 10 FGCDMO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000775813790 724066150 /nfs/dbraw/zinc/06/61/50/724066150.db2.gz WEPFSSSFNVTAQB-WCQYABFASA-N 1 1 368.861 3.205 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000808454787 725202192 /nfs/dbraw/zinc/20/21/92/725202192.db2.gz SUECRUVDJDNZGC-YOEHRIQHSA-N 1 1 364.239 3.047 20 10 FGCDMO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1O ZINC000809691168 725259000 /nfs/dbraw/zinc/25/90/00/725259000.db2.gz IXFPLQILRFWGRZ-INIZCTEOSA-N 1 1 350.459 3.282 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@]2(C)CCCO)c1O ZINC000809757388 725265802 /nfs/dbraw/zinc/26/58/02/725265802.db2.gz MIIIFUNDMPMWSK-MRXNPFEDSA-N 1 1 358.276 3.290 20 10 FGCDMO CSC1(C[NH2+]Cc2cc(Br)ccc2[O-])CC[NH+](C)CC1 ZINC000810170562 725294357 /nfs/dbraw/zinc/29/43/57/725294357.db2.gz PJHZKUOORMOSDT-UHFFFAOYSA-N 1 1 359.333 3.072 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c1O ZINC000811511681 725371409 /nfs/dbraw/zinc/37/14/09/725371409.db2.gz QPXCUHWWXADDFC-OAHLLOKOSA-N 1 1 368.861 3.297 20 10 FGCDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000814176954 726945135 /nfs/dbraw/zinc/94/51/35/726945135.db2.gz WEXLVDJXEQSAAU-CJNGLKHVSA-N 1 1 350.434 3.363 20 10 FGCDMO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(C(F)(F)F)c1[O-] ZINC000815578195 727084807 /nfs/dbraw/zinc/08/48/07/727084807.db2.gz JOBQWPTXLPZEQX-KBPBESRZSA-N 1 1 360.420 3.299 20 10 FGCDMO NC(=O)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)Cc1ccccc1Cl ZINC000816568359 727176659 /nfs/dbraw/zinc/17/66/59/727176659.db2.gz FEEUNPVYAKZMGC-GFCCVEGCSA-N 1 1 371.239 3.272 20 10 FGCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817281300 727235954 /nfs/dbraw/zinc/23/59/54/727235954.db2.gz JNTYFNDHWJAMDE-HNNXBMFYSA-N 1 1 357.420 3.033 20 10 FGCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817281300 727235956 /nfs/dbraw/zinc/23/59/56/727235956.db2.gz JNTYFNDHWJAMDE-HNNXBMFYSA-N 1 1 357.420 3.033 20 10 FGCDMO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817961349 727289820 /nfs/dbraw/zinc/28/98/20/727289820.db2.gz XOOSBMJBBSZJQI-KHYOSLBOSA-N 1 1 351.922 3.345 20 10 FGCDMO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)cc(Br)c1O ZINC000825040676 729368642 /nfs/dbraw/zinc/36/86/42/729368642.db2.gz RWLUBHPBWDXFFA-OCCSQVGLSA-N 1 1 356.260 3.285 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC([C@H]3CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC000827377473 729429566 /nfs/dbraw/zinc/42/95/66/729429566.db2.gz YXHSHZSFVKFLST-MRXNPFEDSA-N 1 1 350.415 3.090 20 10 FGCDMO Cc1cc(C[NH+]2CCC(CS(C)(=O)=O)CC2)ccc1N1CCCCC1 ZINC000830009191 729529663 /nfs/dbraw/zinc/52/96/63/729529663.db2.gz SVMCLISAUFAZEU-UHFFFAOYSA-N 1 1 364.555 3.242 20 10 FGCDMO CC[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(F)cc1O ZINC000834840544 729838339 /nfs/dbraw/zinc/83/83/39/729838339.db2.gz KDAPDYUIHPQPSK-CQSZACIVSA-N 1 1 369.234 3.196 20 10 FGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000840911416 730190327 /nfs/dbraw/zinc/19/03/27/730190327.db2.gz ZUUZKFMWPOCWGE-UHFFFAOYSA-N 1 1 357.523 3.471 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Cl)c1 ZINC000840917816 730191255 /nfs/dbraw/zinc/19/12/55/730191255.db2.gz NLONKCABBVRBRS-GFCCVEGCSA-N 1 1 362.817 3.344 20 10 FGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000841042026 730205498 /nfs/dbraw/zinc/20/54/98/730205498.db2.gz GUTYBLMELYAEOL-CQSZACIVSA-N 1 1 354.317 3.366 20 10 FGCDMO CC[N@@H+](CCNC(=O)NCc1cc(Cl)ccc1O)CCC(F)(F)F ZINC000845148533 730813524 /nfs/dbraw/zinc/81/35/24/730813524.db2.gz QUWGRVSVUVLURH-UHFFFAOYSA-N 1 1 367.799 3.119 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1[O-] ZINC000846227304 730938003 /nfs/dbraw/zinc/93/80/03/730938003.db2.gz NOOVJOBMSGDUJW-JQHSSLGASA-N 1 1 366.889 3.109 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1[O-] ZINC000846227304 730938005 /nfs/dbraw/zinc/93/80/05/730938005.db2.gz NOOVJOBMSGDUJW-JQHSSLGASA-N 1 1 366.889 3.109 20 10 FGCDMO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000847590735 731068459 /nfs/dbraw/zinc/06/84/59/731068459.db2.gz FXNAMJSOKIQKMO-CQSZACIVSA-N 1 1 364.829 3.042 20 10 FGCDMO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000847590735 731068463 /nfs/dbraw/zinc/06/84/63/731068463.db2.gz FXNAMJSOKIQKMO-CQSZACIVSA-N 1 1 364.829 3.042 20 10 FGCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000847695756 731080235 /nfs/dbraw/zinc/08/02/35/731080235.db2.gz HOXTULASSRRWQM-SGTLLEGYSA-N 1 1 362.857 3.101 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)CN(C)C)c1O ZINC000848513532 731173874 /nfs/dbraw/zinc/17/38/74/731173874.db2.gz GTRGWMXSQGDNRT-NSHDSACASA-N 1 1 359.308 3.402 20 10 FGCDMO CCc1nnc(C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)s1 ZINC000848551421 731180120 /nfs/dbraw/zinc/18/01/20/731180120.db2.gz MMHKLVRICTUDLI-QMMMGPOBSA-N 1 1 372.288 3.428 20 10 FGCDMO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2cc(Cl)ccc2O)cc1F ZINC000849352892 731251784 /nfs/dbraw/zinc/25/17/84/731251784.db2.gz RKLUENACWVVZQF-RDJZCZTQSA-N 1 1 364.848 3.429 20 10 FGCDMO CCC1([NH+]2CCOCC2)CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000862535946 732845349 /nfs/dbraw/zinc/84/53/49/732845349.db2.gz AJKAMBBKGCBYBJ-UHFFFAOYSA-N 1 1 352.906 3.431 20 10 FGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000866536919 733363125 /nfs/dbraw/zinc/36/31/25/733363125.db2.gz XQQUTRFSYWVTJB-OLZOCXBDSA-N 1 1 351.443 3.389 20 10 FGCDMO COc1ccc2ccc(O)c(C[N@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)c2c1 ZINC000872687667 735661355 /nfs/dbraw/zinc/66/13/55/735661355.db2.gz PHUSOGRIQNBNFA-BLLLJJGKSA-N 1 1 355.356 3.157 20 10 FGCDMO OC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](c4ccsc4)C3)cc2)CC1 ZINC000876779083 736143293 /nfs/dbraw/zinc/14/32/93/736143293.db2.gz VRARTRZASNAGDE-HXUWFJFHSA-N 1 1 358.507 3.283 20 10 FGCDMO OC1CCN(c2ccc(C[N@H+]3CCO[C@@H](c4ccsc4)C3)cc2)CC1 ZINC000876779083 736143308 /nfs/dbraw/zinc/14/33/08/736143308.db2.gz VRARTRZASNAGDE-HXUWFJFHSA-N 1 1 358.507 3.283 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]Cc1ccnn1CC1CCC1 ZINC000877478767 736224989 /nfs/dbraw/zinc/22/49/89/736224989.db2.gz MMTAAQQSUHGCHW-UHFFFAOYSA-N 1 1 350.260 3.441 20 10 FGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](O)c1cc(Br)no1 ZINC000878565885 736888773 /nfs/dbraw/zinc/88/87/73/736888773.db2.gz VHVSDDYSBSJYTR-AWEZNQCLSA-N 1 1 369.259 3.478 20 10 FGCDMO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@H](C)c3ccccc3O)nc2c1 ZINC000879648459 737022935 /nfs/dbraw/zinc/02/29/35/737022935.db2.gz QAZGIPZYEAQLIA-GFCCVEGCSA-N 1 1 360.435 3.178 20 10 FGCDMO CN1CCN(c2ccc(C[NH2+]Cc3cc4ccncc4s3)cc2)CC1 ZINC000883283596 737546924 /nfs/dbraw/zinc/54/69/24/737546924.db2.gz LJDVMBLDHOHFCQ-UHFFFAOYSA-N 1 1 352.507 3.338 20 10 FGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929186082 760335367 /nfs/dbraw/zinc/33/53/67/760335367.db2.gz XAEDJXZKAGTWCV-IRXDYDNUSA-N 1 1 358.404 3.065 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000115824891 494632380 /nfs/dbraw/zinc/63/23/80/494632380.db2.gz AXCBCPMBNODCHV-HXUWFJFHSA-N 1 1 372.557 3.406 20 10 FGCDMO CC[N@@H+](Cc1cnc2cnccn12)Cc1cc(Br)ccc1O ZINC000093866942 494928626 /nfs/dbraw/zinc/92/86/26/494928626.db2.gz NSMNWROGTOAAKV-UHFFFAOYSA-N 1 1 361.243 3.220 20 10 FGCDMO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)cc1F ZINC000111235660 495053355 /nfs/dbraw/zinc/05/33/55/495053355.db2.gz WIVWWBWFJVHLCJ-AWEZNQCLSA-N 1 1 360.429 3.019 20 10 FGCDMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000179530481 495630158 /nfs/dbraw/zinc/63/01/58/495630158.db2.gz FMQNVUUUGASQBS-UHFFFAOYSA-N 1 1 365.477 3.040 20 10 FGCDMO COc1cc(O)c(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000160321845 495935513 /nfs/dbraw/zinc/93/55/13/495935513.db2.gz HGMTWHVSALUEGF-GOSISDBHSA-N 1 1 370.493 3.363 20 10 FGCDMO COc1cc(O)c(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000160321845 495935518 /nfs/dbraw/zinc/93/55/18/495935518.db2.gz HGMTWHVSALUEGF-GOSISDBHSA-N 1 1 370.493 3.363 20 10 FGCDMO COc1cc(O)c(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000160321845 495935522 /nfs/dbraw/zinc/93/55/22/495935522.db2.gz HGMTWHVSALUEGF-GOSISDBHSA-N 1 1 370.493 3.363 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000160321845 495935525 /nfs/dbraw/zinc/93/55/25/495935525.db2.gz HGMTWHVSALUEGF-GOSISDBHSA-N 1 1 370.493 3.363 20 10 FGCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1O ZINC000177241380 495991133 /nfs/dbraw/zinc/99/11/33/495991133.db2.gz RJPCNXYOKCUVNO-UHFFFAOYSA-N 1 1 370.424 3.128 20 10 FGCDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1O ZINC000187156897 496317535 /nfs/dbraw/zinc/31/75/35/496317535.db2.gz XOPCEEBQOFKOJJ-QGZVFWFLSA-N 1 1 354.450 3.082 20 10 FGCDMO COC(C)(C)CN(C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000569064780 505842638 /nfs/dbraw/zinc/84/26/38/505842638.db2.gz KANUJPQVAWNIEE-UHFFFAOYSA-N 1 1 371.525 3.291 20 10 FGCDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c(O)c1C ZINC000273393167 496793605 /nfs/dbraw/zinc/79/36/05/496793605.db2.gz LIKIEZSFZMDXAK-KRWDZBQOSA-N 1 1 354.498 3.007 20 10 FGCDMO CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)C1 ZINC000273591932 496848224 /nfs/dbraw/zinc/84/82/24/496848224.db2.gz PNCUFEDXIILKSY-RKVPGOIHSA-N 1 1 365.474 3.088 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278104348 497005208 /nfs/dbraw/zinc/00/52/08/497005208.db2.gz ANARXLSHNNWJLM-MEDUHNTESA-N 1 1 364.373 3.050 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000278451314 497119232 /nfs/dbraw/zinc/11/92/32/497119232.db2.gz XYPALKOWWQCDAK-VBKZILBWSA-N 1 1 374.437 3.028 20 10 FGCDMO COc1c(O)c(C[NH2+]CCc2csc(C(C)(C)C)n2)ccc1[N+](=O)[O-] ZINC000278477816 497128760 /nfs/dbraw/zinc/12/87/60/497128760.db2.gz ITMBFVGYGRJHRV-UHFFFAOYSA-N 1 1 365.455 3.395 20 10 FGCDMO C[C@H](NC(=O)NCc1ccccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272301848 497591411 /nfs/dbraw/zinc/59/14/11/497591411.db2.gz IWPXJAUSEUEFGH-LPHOPBHVSA-N 1 1 353.466 3.102 20 10 FGCDMO CC[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(C)cc1O ZINC000280144727 497663057 /nfs/dbraw/zinc/66/30/57/497663057.db2.gz PXJPUDYETREKPR-LJQANCHMSA-N 1 1 354.498 3.088 20 10 FGCDMO O=C(C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1)N1CCCCC1 ZINC000191183206 497736984 /nfs/dbraw/zinc/73/69/84/497736984.db2.gz LBIVHYGMBWYBBO-UHFFFAOYSA-N 1 1 354.853 3.409 20 10 FGCDMO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Cl)c(Cl)cc1O ZINC000281272253 498084309 /nfs/dbraw/zinc/08/43/09/498084309.db2.gz XAJTWYNPHHNICS-VIFPVBQESA-N 1 1 352.283 3.317 20 10 FGCDMO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1O ZINC000285537299 498121339 /nfs/dbraw/zinc/12/13/39/498121339.db2.gz BZEUWIMDBMBCBR-KRWDZBQOSA-N 1 1 366.458 3.023 20 10 FGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289537473 498185736 /nfs/dbraw/zinc/18/57/36/498185736.db2.gz HWFHLDWBBQUBLP-ZDUSSCGKSA-N 1 1 368.193 3.434 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000296887823 498238583 /nfs/dbraw/zinc/23/85/83/498238583.db2.gz QFIRFRIQZWGMKU-HXUWFJFHSA-N 1 1 355.507 3.097 20 10 FGCDMO CC[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(F)cc1O ZINC000286207695 498324850 /nfs/dbraw/zinc/32/48/50/498324850.db2.gz RXAYTPAJVFCWCC-IBGZPJMESA-N 1 1 372.440 3.245 20 10 FGCDMO CCCC[N@@H+](Cc1c(C)nn(C)c1N1CCOCC1)Cc1ccccc1O ZINC000282954563 498724083 /nfs/dbraw/zinc/72/40/83/498724083.db2.gz HNHXBVDNFYRDPO-UHFFFAOYSA-N 1 1 372.513 3.073 20 10 FGCDMO COCCc1cc[nH+]c(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000287682989 498835669 /nfs/dbraw/zinc/83/56/69/498835669.db2.gz WIFLMGRMVTYJDH-OAHLLOKOSA-N 1 1 359.445 3.419 20 10 FGCDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000366765329 499065159 /nfs/dbraw/zinc/06/51/59/499065159.db2.gz OXOLJSWOXSEXRT-OAQYLSRUSA-N 1 1 362.477 3.049 20 10 FGCDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000366765329 499065161 /nfs/dbraw/zinc/06/51/61/499065161.db2.gz OXOLJSWOXSEXRT-OAQYLSRUSA-N 1 1 362.477 3.049 20 10 FGCDMO CS(=O)(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000367174050 499157279 /nfs/dbraw/zinc/15/72/79/499157279.db2.gz OMSPBROQKVQRFX-UHFFFAOYSA-N 1 1 365.882 3.050 20 10 FGCDMO CS(=O)(=O)c1ccc2c(c1)CC[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000367174050 499157280 /nfs/dbraw/zinc/15/72/80/499157280.db2.gz OMSPBROQKVQRFX-UHFFFAOYSA-N 1 1 365.882 3.050 20 10 FGCDMO CCOc1cccc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1O ZINC000370405624 499217023 /nfs/dbraw/zinc/21/70/23/499217023.db2.gz KZGIFEHJCZKVJM-PXNSSMCTSA-N 1 1 355.482 3.311 20 10 FGCDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000368036063 499258336 /nfs/dbraw/zinc/25/83/36/499258336.db2.gz QHTXHOSZOFREJV-CYBMUJFWSA-N 1 1 362.861 3.415 20 10 FGCDMO CCOCc1cc(C[NH2+][C@@H]2CCCc3cn(CCOC)nc32)ccc1OC ZINC000368085699 499262663 /nfs/dbraw/zinc/26/26/63/499262663.db2.gz MRAFBDSANVMJCL-LJQANCHMSA-N 1 1 373.497 3.242 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCCN(Cc3cnn(C(C)C)c3)CC2)c1O ZINC000371325205 499310283 /nfs/dbraw/zinc/31/02/83/499310283.db2.gz CJWCUUNURQNINL-UHFFFAOYSA-N 1 1 372.513 3.276 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)N[C@H]3CCc4[nH]cnc4C3)cc2)CC1 ZINC000368628397 499315454 /nfs/dbraw/zinc/31/54/54/499315454.db2.gz NIMNPSMLPVHRMQ-KRWDZBQOSA-N 1 1 367.497 3.003 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1O ZINC000368654959 499318023 /nfs/dbraw/zinc/31/80/23/499318023.db2.gz FIRZWXVSDKXIKM-MRXNPFEDSA-N 1 1 366.465 3.288 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2nnc(C)n2C)c2ccccc2)c1 ZINC000371876639 499374336 /nfs/dbraw/zinc/37/43/36/499374336.db2.gz OAEUITTYCXQZPT-BFUOFWGJSA-N 1 1 352.438 3.278 20 10 FGCDMO COCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCCc2cccnc21 ZINC000372236063 499411837 /nfs/dbraw/zinc/41/18/37/499411837.db2.gz KYJICRRUGZEEPJ-KRWDZBQOSA-N 1 1 372.465 3.330 20 10 FGCDMO CC[C@H](c1ccccc1O)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000373600493 499479133 /nfs/dbraw/zinc/47/91/33/499479133.db2.gz DBDHMHJXZQJQHH-GOSISDBHSA-N 1 1 360.479 3.273 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccccn2)C1 ZINC000435542551 500990058 /nfs/dbraw/zinc/99/00/58/500990058.db2.gz FDOSHAULMXZMSX-UHFFFAOYSA-N 1 1 362.477 3.466 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H]2C2CC2)C1 ZINC000452484047 501510600 /nfs/dbraw/zinc/51/06/00/501510600.db2.gz CIALTTAULOZNKE-LJQANCHMSA-N 1 1 351.494 3.419 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCSC2)C1 ZINC000468464805 502067520 /nfs/dbraw/zinc/06/75/20/502067520.db2.gz CVHADVUQGBMLJI-INIZCTEOSA-N 1 1 371.550 3.277 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000471736821 502123734 /nfs/dbraw/zinc/12/37/34/502123734.db2.gz MTZSZJWGNOLZIQ-UHFFFAOYSA-N 1 1 364.493 3.418 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)ccc21 ZINC000489312683 502926200 /nfs/dbraw/zinc/92/62/00/502926200.db2.gz GYOASNZNRCRCQD-OAQYLSRUSA-N 1 1 371.525 3.317 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2cn[nH]c2)C1 ZINC000564283530 505371273 /nfs/dbraw/zinc/37/12/73/505371273.db2.gz RALUSPXICRDPPX-HNNXBMFYSA-N 1 1 365.481 3.008 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1O ZINC000824010336 608462926 /nfs/dbraw/zinc/46/29/26/608462926.db2.gz JUQUJWKECBTQDX-SNVBAGLBSA-N 1 1 371.828 3.279 20 10 FGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826263984 608488745 /nfs/dbraw/zinc/48/87/45/608488745.db2.gz YEJLHASZWLJIHK-UHFFFAOYSA-N 1 1 361.449 3.478 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)Cc2c(C)noc2C)c1O ZINC000091812505 700426154 /nfs/dbraw/zinc/42/61/54/700426154.db2.gz IZIBOXVQGYIPHR-UHFFFAOYSA-N 1 1 355.232 3.400 20 10 FGCDMO COc1cc(Br)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000092043143 700431085 /nfs/dbraw/zinc/43/10/85/700431085.db2.gz OUBCFVIAVJJPRO-DOMZBBRYSA-N 1 1 369.303 3.079 20 10 FGCDMO Cc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 ZINC000093007784 700446170 /nfs/dbraw/zinc/44/61/70/700446170.db2.gz KEVHNHUQDRWFHH-UHFFFAOYSA-N 1 1 362.832 3.451 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)c1 ZINC000093771180 700454101 /nfs/dbraw/zinc/45/41/01/700454101.db2.gz PKGLTKOYGFQHMW-CQSZACIVSA-N 1 1 360.420 3.497 20 10 FGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000128449951 700775266 /nfs/dbraw/zinc/77/52/66/700775266.db2.gz ZWRPHXAYNCLZSP-OAHLLOKOSA-N 1 1 350.459 3.232 20 10 FGCDMO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157172000 705146578 /nfs/dbraw/zinc/14/65/78/705146578.db2.gz PNIPCJCYGZQYQU-ZDUSSCGKSA-N 1 1 364.490 3.036 20 10 FGCDMO CC[N@H+](CC(=O)Nc1nccs1)Cc1cc(Br)ccc1O ZINC000173992995 705481858 /nfs/dbraw/zinc/48/18/58/705481858.db2.gz OTMDEBPGTWENCC-UHFFFAOYSA-N 1 1 370.272 3.072 20 10 FGCDMO CC[N@@H+](CC(=O)Nc1nccs1)Cc1cc(Br)ccc1O ZINC000173992995 705481859 /nfs/dbraw/zinc/48/18/59/705481859.db2.gz OTMDEBPGTWENCC-UHFFFAOYSA-N 1 1 370.272 3.072 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000177283231 705616058 /nfs/dbraw/zinc/61/60/58/705616058.db2.gz YCXUKNZRMSUVFB-LLVKDONJSA-N 1 1 354.422 3.079 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000177283231 705616062 /nfs/dbraw/zinc/61/60/62/705616062.db2.gz YCXUKNZRMSUVFB-LLVKDONJSA-N 1 1 354.422 3.079 20 10 FGCDMO OCC[N@@H+](Cc1ccccc1O)Cc1cc(Br)ccc1F ZINC000179566487 705705581 /nfs/dbraw/zinc/70/55/81/705705581.db2.gz IEARUYFKBTUJEW-UHFFFAOYSA-N 1 1 354.219 3.288 20 10 FGCDMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000186940242 712728886 /nfs/dbraw/zinc/72/88/86/712728886.db2.gz MWOACPVYDLSTSX-UHFFFAOYSA-N 1 1 357.523 3.310 20 10 FGCDMO Cc1cc(Br)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000224492418 713571608 /nfs/dbraw/zinc/57/16/08/713571608.db2.gz BNHFKMDTHIIPPE-XJKSGUPXSA-N 1 1 353.304 3.379 20 10 FGCDMO CC(C)(C)OC(=O)NC/C=C/C[NH2+]Cc1cccc(Br)c1O ZINC000227758818 713573448 /nfs/dbraw/zinc/57/34/48/713573448.db2.gz CCRODLSQPZVLOF-SNAWJCMRSA-N 1 1 371.275 3.325 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245720466 713610642 /nfs/dbraw/zinc/61/06/42/713610642.db2.gz HVYQCXOOSUUVAN-WOJBJXKFSA-N 1 1 364.555 3.465 20 10 FGCDMO C[C@H](CNC(=O)NCCCSc1nccs1)[N@H+]1CCC[C@H](C)C1 ZINC000247644207 713642540 /nfs/dbraw/zinc/64/25/40/713642540.db2.gz ORSZMKXGFWSNLK-UONOGXRCSA-N 1 1 356.561 3.045 20 10 FGCDMO CCc1oc(C[NH2+]Cc2cccc(Br)c2O)cc1C(=O)OC ZINC000802651466 724397524 /nfs/dbraw/zinc/39/75/24/724397524.db2.gz XQSUSLZTHVKDLL-UHFFFAOYSA-N 1 1 368.227 3.387 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(F)cc2F)c1 ZINC000756638818 722968063 /nfs/dbraw/zinc/96/80/63/722968063.db2.gz RVMHJQJIKIDROW-LLVKDONJSA-N 1 1 351.349 3.187 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000781635925 724581254 /nfs/dbraw/zinc/58/12/54/724581254.db2.gz LVRHLOJVCFWALH-HNNXBMFYSA-N 1 1 368.246 3.295 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000781635927 724581283 /nfs/dbraw/zinc/58/12/83/724581283.db2.gz LVRHLOJVCFWALH-OAHLLOKOSA-N 1 1 368.246 3.295 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(C3(C)OCCO3)CC2)c1 ZINC000781913696 724611803 /nfs/dbraw/zinc/61/18/03/724611803.db2.gz VTXMRGUEYHHJGO-UHFFFAOYSA-N 1 1 370.287 3.438 20 10 FGCDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781900945 724609391 /nfs/dbraw/zinc/60/93/91/724609391.db2.gz OVKIBYJYGFDTDK-GFCCVEGCSA-N 1 1 356.260 3.238 20 10 FGCDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781900945 724609394 /nfs/dbraw/zinc/60/93/94/724609394.db2.gz OVKIBYJYGFDTDK-GFCCVEGCSA-N 1 1 356.260 3.238 20 10 FGCDMO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756461090 722965020 /nfs/dbraw/zinc/96/50/20/722965020.db2.gz SDGTVLSIDLXILM-DZGCQCFKSA-N 1 1 351.393 3.378 20 10 FGCDMO COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756591362 722967325 /nfs/dbraw/zinc/96/73/25/722967325.db2.gz QZCZMAOOXMPNEG-BMLIUANNSA-N 1 1 353.365 3.072 20 10 FGCDMO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756641915 722968145 /nfs/dbraw/zinc/96/81/45/722968145.db2.gz ZHNGNGPNMQNJQT-VWYCJHECSA-N 1 1 362.239 3.138 20 10 FGCDMO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Br)c(F)cc1O ZINC000756775410 722969924 /nfs/dbraw/zinc/96/99/24/722969924.db2.gz HFFFLNVMVWTQFL-NKWVEPMBSA-N 1 1 360.145 3.258 20 10 FGCDMO Oc1cc2c(cc1C[NH+]1CCN(c3ccc(F)cc3Cl)CC1)OCO2 ZINC000756912861 722971769 /nfs/dbraw/zinc/97/17/69/722971769.db2.gz HWPXIDQZZFPCEF-UHFFFAOYSA-N 1 1 364.804 3.236 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCOCC3(CCC3)C2)c1O ZINC000761227087 723134702 /nfs/dbraw/zinc/13/47/02/723134702.db2.gz XOCRSXDICBTANH-UHFFFAOYSA-N 1 1 356.260 3.166 20 10 FGCDMO O=C(C1CCC1)N(CCC[NH2+]Cc1c(O)ccc(Cl)c1F)C1CC1 ZINC000790961717 723199673 /nfs/dbraw/zinc/19/96/73/723199673.db2.gz ZDPCACDAWPJZEN-UHFFFAOYSA-N 1 1 354.853 3.456 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](CCO)Cc2ccc(C)o2)c1O ZINC000793366410 723431386 /nfs/dbraw/zinc/43/13/86/723431386.db2.gz SEUDZWUSFGSMLS-UHFFFAOYSA-N 1 1 370.243 3.059 20 10 FGCDMO COc1ccc(C[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)c(O)c1 ZINC000793388115 723433112 /nfs/dbraw/zinc/43/31/12/723433112.db2.gz MHSRLAZVFAZSPX-UHFFFAOYSA-N 1 1 362.792 3.064 20 10 FGCDMO CCCCCC[N@@H+](C)CC(=O)NCc1cccc(Br)c1O ZINC000765733227 723536364 /nfs/dbraw/zinc/53/63/64/723536364.db2.gz VRORZEGLVLULJZ-UHFFFAOYSA-N 1 1 357.292 3.283 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1cc(F)ccc1O ZINC000794830648 723548198 /nfs/dbraw/zinc/54/81/98/723548198.db2.gz ZVSJZBMVDFXPLE-RFAUZJTJSA-N 1 1 367.218 3.171 20 10 FGCDMO C[C@@H](NCC[N@H+]1CCC[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766274088 723565682 /nfs/dbraw/zinc/56/56/82/723565682.db2.gz SUMGHDTXSSNMHK-HZPDHXFCSA-N 1 1 351.922 3.312 20 10 FGCDMO C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766274088 723565683 /nfs/dbraw/zinc/56/56/83/723565683.db2.gz SUMGHDTXSSNMHK-HZPDHXFCSA-N 1 1 351.922 3.312 20 10 FGCDMO COc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)cc1C ZINC000768447927 723658016 /nfs/dbraw/zinc/65/80/16/723658016.db2.gz RRLPSLWVCQZILA-AWEZNQCLSA-N 1 1 350.459 3.150 20 10 FGCDMO COc1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)cc1C ZINC000768447927 723658017 /nfs/dbraw/zinc/65/80/17/723658017.db2.gz RRLPSLWVCQZILA-AWEZNQCLSA-N 1 1 350.459 3.150 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](CSc3ccccc3)C1)[C@H](O)CO2 ZINC000768466140 723658495 /nfs/dbraw/zinc/65/84/95/723658495.db2.gz MUAIUAUUJIUPJH-AUUYWEPGSA-N 1 1 357.475 3.432 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](Oc3ccccc3Cl)C1)[C@@H](O)CO2 ZINC000768463441 723658502 /nfs/dbraw/zinc/65/85/02/723658502.db2.gz TYDTZWGOYAXAPN-DYVFJYSZSA-N 1 1 361.825 3.125 20 10 FGCDMO Cc1ccncc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771064705 723727052 /nfs/dbraw/zinc/72/70/52/723727052.db2.gz KNQQJIMFWBAIAJ-MRXNPFEDSA-N 1 1 359.857 3.143 20 10 FGCDMO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cccc(C(F)(F)F)c1O ZINC000798182428 723911271 /nfs/dbraw/zinc/91/12/71/723911271.db2.gz SXEGOKQUDGYOOM-SNVBAGLBSA-N 1 1 353.406 3.275 20 10 FGCDMO COc1c(O)c(C[N@@H+](C)CCOc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000774820537 723933130 /nfs/dbraw/zinc/93/31/30/723933130.db2.gz AHFAAYVLMGCXLX-UHFFFAOYSA-N 1 1 366.801 3.473 20 10 FGCDMO COc1c(O)c(C[NH2+]Cc2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000774982056 723947626 /nfs/dbraw/zinc/94/76/26/723947626.db2.gz BBSYWLXCSQDHLH-UHFFFAOYSA-N 1 1 367.199 3.361 20 10 FGCDMO COC(=O)c1sccc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775254410 723973725 /nfs/dbraw/zinc/97/37/25/723973725.db2.gz IMJSDXXULNKPDY-AWEZNQCLSA-N 1 1 360.479 3.222 20 10 FGCDMO C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)(C)C[NH+](C)C ZINC000805191560 725055572 /nfs/dbraw/zinc/05/55/72/725055572.db2.gz KBWXETIAVXJASV-JTQLQIEISA-N 1 1 362.301 3.475 20 10 FGCDMO CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)N1CCOCC1 ZINC000788508764 725068921 /nfs/dbraw/zinc/06/89/21/725068921.db2.gz VERPMHFXEAHIEF-BBRMVZONSA-N 1 1 360.420 3.418 20 10 FGCDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000789593587 725138051 /nfs/dbraw/zinc/13/80/51/725138051.db2.gz SROCBHWBIDYPBR-FQEVSTJZSA-N 1 1 350.478 3.035 20 10 FGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c1O ZINC000808675082 725212916 /nfs/dbraw/zinc/21/29/16/725212916.db2.gz VXWHSDRTWMTYLK-CRAIPNDOSA-N 1 1 353.938 3.277 20 10 FGCDMO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(C)cc(Br)c4O)[C@H]1[C@H]3C2 ZINC000809697032 725259690 /nfs/dbraw/zinc/25/96/90/725259690.db2.gz BOTNQXOHNDYKEC-SXCOJBNFSA-N 1 1 352.272 3.318 20 10 FGCDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(C)cc(Br)c4O)[C@H]1[C@H]3C2 ZINC000809697032 725259693 /nfs/dbraw/zinc/25/96/93/725259693.db2.gz BOTNQXOHNDYKEC-SXCOJBNFSA-N 1 1 352.272 3.318 20 10 FGCDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000809779355 725268018 /nfs/dbraw/zinc/26/80/18/725268018.db2.gz KQXFBIAFTJGSJN-CQSZACIVSA-N 1 1 371.275 3.174 20 10 FGCDMO O=C(C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1)N1CCCCC1 ZINC000816481572 727166810 /nfs/dbraw/zinc/16/68/10/727166810.db2.gz BANBVAIYDSHPNQ-UHFFFAOYSA-N 1 1 354.853 3.409 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000816530684 727172088 /nfs/dbraw/zinc/17/20/88/727172088.db2.gz QMYMEINXDNLPJP-MRXNPFEDSA-N 1 1 364.848 3.175 20 10 FGCDMO O=C1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CN1c1c(F)cccc1F ZINC000816560094 727176145 /nfs/dbraw/zinc/17/61/45/727176145.db2.gz DIOSJMMARACHIT-JTQLQIEISA-N 1 1 370.758 3.358 20 10 FGCDMO CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Cl)c1[O-] ZINC000817982815 727290397 /nfs/dbraw/zinc/29/03/97/727290397.db2.gz HWBBJQSMENLLOO-JMLCCBQJSA-N 1 1 351.922 3.303 20 10 FGCDMO C[N@H+](Cc1cccc(Br)c1O)C[C@](C)(O)c1ccccc1 ZINC000822516344 729188611 /nfs/dbraw/zinc/18/86/11/729188611.db2.gz LPOLEFGVICGFGE-KRWDZBQOSA-N 1 1 350.256 3.494 20 10 FGCDMO C[N@@H+](Cc1cccc(Br)c1O)C[C@](C)(O)c1ccccc1 ZINC000822516344 729188612 /nfs/dbraw/zinc/18/86/12/729188612.db2.gz LPOLEFGVICGFGE-KRWDZBQOSA-N 1 1 350.256 3.494 20 10 FGCDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823404091 729276516 /nfs/dbraw/zinc/27/65/16/729276516.db2.gz LNLCGLMERSORKP-RDJZCZTQSA-N 1 1 357.523 3.470 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000824339030 729331430 /nfs/dbraw/zinc/33/14/30/729331430.db2.gz MERDIWOOZJEHSK-FQEVSTJZSA-N 1 1 358.507 3.376 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cc1 ZINC000824339030 729331432 /nfs/dbraw/zinc/33/14/32/729331432.db2.gz MERDIWOOZJEHSK-FQEVSTJZSA-N 1 1 358.507 3.376 20 10 FGCDMO Cc1nc(CN2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)cs1 ZINC000824541700 729346199 /nfs/dbraw/zinc/34/61/99/729346199.db2.gz HASLKIZEAYKYJO-UHFFFAOYSA-N 1 1 351.903 3.437 20 10 FGCDMO COCc1csc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000824919927 729364962 /nfs/dbraw/zinc/36/49/62/729364962.db2.gz BFRVYMNFRJTVNW-UHFFFAOYSA-N 1 1 350.459 3.364 20 10 FGCDMO COc1cccc(C[N@@H+](C)C[C@@H](O)c2ccccc2Br)c1O ZINC000825305437 729377848 /nfs/dbraw/zinc/37/78/48/729377848.db2.gz JAFGLSYHRYBKJA-OAHLLOKOSA-N 1 1 366.255 3.329 20 10 FGCDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(Br)cc1O)C[C@H](C)O2 ZINC000825754080 729394136 /nfs/dbraw/zinc/39/41/36/729394136.db2.gz ZJWAQNJHHMZRMS-IIYDPXPESA-N 1 1 370.287 3.313 20 10 FGCDMO COc1cc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)c(O)c(C(C)(C)C)c1 ZINC000826084068 729404675 /nfs/dbraw/zinc/40/46/75/729404675.db2.gz SQNRNUIUFRNWCW-DEOSSOPVSA-N 1 1 353.528 3.431 20 10 FGCDMO COc1cc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)c(O)c(C(C)(C)C)c1 ZINC000826084068 729404676 /nfs/dbraw/zinc/40/46/76/729404676.db2.gz SQNRNUIUFRNWCW-DEOSSOPVSA-N 1 1 353.528 3.431 20 10 FGCDMO Cc1cc(C(=O)C[N@H+](C)CCCCCO)c(C)n1-c1ccc(Cl)cn1 ZINC000829321981 729473898 /nfs/dbraw/zinc/47/38/98/729473898.db2.gz MNIUFEGQEGQMKJ-UHFFFAOYSA-N 1 1 363.889 3.420 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+](C)CCCCCO)c(C)n1-c1ccc(Cl)cn1 ZINC000829321981 729473902 /nfs/dbraw/zinc/47/39/02/729473902.db2.gz MNIUFEGQEGQMKJ-UHFFFAOYSA-N 1 1 363.889 3.420 20 10 FGCDMO COc1cccc(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)c1O ZINC000840958063 730197291 /nfs/dbraw/zinc/19/72/91/730197291.db2.gz IBKNNOOQFQJVSQ-HNNXBMFYSA-N 1 1 366.255 3.329 20 10 FGCDMO C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccc(Cl)cc1O ZINC000841758855 730271314 /nfs/dbraw/zinc/27/13/14/730271314.db2.gz VMFMFSGALOYVCS-LRDDRELGSA-N 1 1 355.862 3.112 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)c(F)cc1O ZINC000842884235 730553480 /nfs/dbraw/zinc/55/34/80/730553480.db2.gz HHVQGRBNAKRHED-ZANVPECISA-N 1 1 373.266 3.344 20 10 FGCDMO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843428727 730619819 /nfs/dbraw/zinc/61/98/19/730619819.db2.gz MMKCSLYQBUNVQA-AWEZNQCLSA-N 1 1 362.832 3.323 20 10 FGCDMO O=C(NCc1ccccc1)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843428727 730619823 /nfs/dbraw/zinc/61/98/23/730619823.db2.gz MMKCSLYQBUNVQA-AWEZNQCLSA-N 1 1 362.832 3.323 20 10 FGCDMO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)c1O ZINC000843426727 730620014 /nfs/dbraw/zinc/62/00/14/730620014.db2.gz IDHODWBEYWQXPA-AEFFLSMTSA-N 1 1 360.885 3.489 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cc2cc(C)[nH]n2)c1O ZINC000848535044 731177252 /nfs/dbraw/zinc/17/72/52/731177252.db2.gz CLHYFNGJGFEOMP-KOLCDFICSA-N 1 1 368.275 3.477 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000850381418 731350721 /nfs/dbraw/zinc/35/07/21/731350721.db2.gz DTHDQEFJIRMVAB-CYBMUJFWSA-N 1 1 352.203 3.387 20 10 FGCDMO OC1CCN(c2ccc(C[NH2+]Cc3occc3Br)cc2)CC1 ZINC000850405917 731353364 /nfs/dbraw/zinc/35/33/64/731353364.db2.gz KEACXDDICBGDOX-UHFFFAOYSA-N 1 1 365.271 3.293 20 10 FGCDMO Cc1cc(C[NH+]2CCN(c3ncns3)CC2)ccc1N1CCCCC1 ZINC000852127121 731546175 /nfs/dbraw/zinc/54/61/75/731546175.db2.gz NFCRJRHOMUPTHR-UHFFFAOYSA-N 1 1 357.527 3.159 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC000853240058 731686568 /nfs/dbraw/zinc/68/65/68/731686568.db2.gz FUJARYJHBLIZJC-JTQLQIEISA-N 1 1 354.328 3.443 20 10 FGCDMO Oc1cccc(Br)c1CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000858196915 732191609 /nfs/dbraw/zinc/19/16/09/732191609.db2.gz YTTBTZYSBYTFSG-AWEZNQCLSA-N 1 1 353.304 3.366 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)c(F)cc1O ZINC000858602802 732230862 /nfs/dbraw/zinc/23/08/62/732230862.db2.gz JLRMQYQCWIPNNO-LKFCYVNXSA-N 1 1 371.250 3.098 20 10 FGCDMO Cc1cc(C(=O)C[N@H+](C)C[C@H]2C[C@@H](O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000859971184 732425247 /nfs/dbraw/zinc/42/52/47/732425247.db2.gz SBJGGQXSYRTTOQ-FZNQNYSPSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+](C)C[C@H]2C[C@@H](O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000859971184 732425253 /nfs/dbraw/zinc/42/52/53/732425253.db2.gz SBJGGQXSYRTTOQ-FZNQNYSPSA-N 1 1 361.873 3.028 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862216631 732787571 /nfs/dbraw/zinc/78/75/71/732787571.db2.gz OZOUQBXNURTXET-LLVKDONJSA-N 1 1 371.275 3.254 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862216631 732787573 /nfs/dbraw/zinc/78/75/73/732787573.db2.gz OZOUQBXNURTXET-LLVKDONJSA-N 1 1 371.275 3.254 20 10 FGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1F ZINC000862348257 732812929 /nfs/dbraw/zinc/81/29/29/732812929.db2.gz HWZGVAFIKMXWNG-BONVTDFDSA-N 1 1 352.347 3.166 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1F ZINC000862348257 732812931 /nfs/dbraw/zinc/81/29/31/732812931.db2.gz HWZGVAFIKMXWNG-BONVTDFDSA-N 1 1 352.347 3.166 20 10 FGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645432 736699231 /nfs/dbraw/zinc/69/92/31/736699231.db2.gz KWPIRIVQZCNVCK-OAHLLOKOSA-N 1 1 363.255 3.341 20 10 FGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645432 736699239 /nfs/dbraw/zinc/69/92/39/736699239.db2.gz KWPIRIVQZCNVCK-OAHLLOKOSA-N 1 1 363.255 3.341 20 10 FGCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645438 736699272 /nfs/dbraw/zinc/69/92/72/736699272.db2.gz LAAPGGHHAZDUSN-INIZCTEOSA-N 1 1 363.255 3.341 20 10 FGCDMO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000882960718 737506555 /nfs/dbraw/zinc/50/65/55/737506555.db2.gz SXBVECBXPROSEP-CABCVRRESA-N 1 1 352.203 3.042 20 10 FGCDMO CCc1nn(C)c(CC)c1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883075700 737518538 /nfs/dbraw/zinc/51/85/38/737518538.db2.gz JNEMPJVZMBOZSX-UHFFFAOYSA-N 1 1 370.266 3.442 20 10 FGCDMO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000883308336 737552158 /nfs/dbraw/zinc/55/21/58/737552158.db2.gz MYKAZLYBIRAMNU-ZJUUUORDSA-N 1 1 352.283 3.317 20 10 FGCDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1OC ZINC000892204335 739975462 /nfs/dbraw/zinc/97/54/62/739975462.db2.gz KJBAMJFGICXMME-ZJWNCGCPSA-N 1 1 363.479 3.340 20 10 FGCDMO Cn1ccc(C2CC[NH+](Cc3cccc(Br)c3O)CC2)n1 ZINC000896500300 742559309 /nfs/dbraw/zinc/55/93/09/742559309.db2.gz CNVCNLLDCMGIQC-UHFFFAOYSA-N 1 1 350.260 3.268 20 10 FGCDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896789885 742598668 /nfs/dbraw/zinc/59/86/68/742598668.db2.gz JGACPKHRYLVMFJ-CYBMUJFWSA-N 1 1 360.479 3.116 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](Cc3nc(C)no3)C2)c1O ZINC000897576836 742691594 /nfs/dbraw/zinc/69/15/94/742691594.db2.gz KPHQTNNCEUBACQ-GFCCVEGCSA-N 1 1 351.834 3.200 20 10 FGCDMO CCOC(=O)C1([C@@H](C)[NH2+]Cc2c(O)ccc(Cl)c2F)CCOCC1 ZINC000897742498 742709380 /nfs/dbraw/zinc/70/93/80/742709380.db2.gz MYXDINSACRUHFZ-LLVKDONJSA-N 1 1 359.825 3.023 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1ccc(F)cc1O ZINC000903478293 743854933 /nfs/dbraw/zinc/85/49/33/743854933.db2.gz FRFVASGZINZZSP-GXSJLCMTSA-N 1 1 354.223 3.156 20 10 FGCDMO CC[N@H+]1CCC[C@H]1CNC(=S)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917592984 758246144 /nfs/dbraw/zinc/24/61/44/758246144.db2.gz AJQPZCPNCPYXEY-IBGZPJMESA-N 1 1 362.587 3.322 20 10 FGCDMO CN(C)c1cc[nH+]c(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000924667923 759370194 /nfs/dbraw/zinc/37/01/94/759370194.db2.gz AIKKHIWGTIDBNI-UHFFFAOYSA-N 1 1 369.252 3.159 20 10 FGCDMO Cc1cc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)on1 ZINC000579698928 505604290 /nfs/dbraw/zinc/60/42/90/505604290.db2.gz PRAISNXBOSIFQE-UHFFFAOYSA-N 1 1 366.465 3.021 20 10 FGCDMO CNC(=O)c1ccc(C[N@@H+](C)C2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000072801343 494252717 /nfs/dbraw/zinc/25/27/17/494252717.db2.gz SBWWWQUVBGAEHS-UHFFFAOYSA-N 1 1 367.493 3.156 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000115824894 494633423 /nfs/dbraw/zinc/63/34/23/494633423.db2.gz AXCBCPMBNODCHV-FQEVSTJZSA-N 1 1 372.557 3.406 20 10 FGCDMO CCC[N@@H+](Cc1c(C)nn(CCC(=O)OC)c1C)Cc1ccccc1O ZINC000092705001 494716924 /nfs/dbraw/zinc/71/69/24/494716924.db2.gz BNECAGSPJUZFGE-UHFFFAOYSA-N 1 1 359.470 3.181 20 10 FGCDMO CCN1CCN([C@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)CC1 ZINC000093132883 494830916 /nfs/dbraw/zinc/83/09/16/494830916.db2.gz UFCNTTXDWDDUKK-QFIPXVFZSA-N 1 1 365.521 3.271 20 10 FGCDMO CCN1CCN([C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)CC1 ZINC000093132883 494830921 /nfs/dbraw/zinc/83/09/21/494830921.db2.gz UFCNTTXDWDDUKK-QFIPXVFZSA-N 1 1 365.521 3.271 20 10 FGCDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NCc2c(O)cccc2Cl)c1 ZINC000120083229 495303735 /nfs/dbraw/zinc/30/37/35/495303735.db2.gz ROSYIFFBHJBROT-KRWDZBQOSA-N 1 1 359.857 3.107 20 10 FGCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176977251 495867383 /nfs/dbraw/zinc/86/73/83/495867383.db2.gz YLKIICRJGWCABY-MRXNPFEDSA-N 1 1 357.498 3.133 20 10 FGCDMO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000180724239 496119255 /nfs/dbraw/zinc/11/92/55/496119255.db2.gz ZJISEAYNJVFIEQ-IQIBNGDESA-N 1 1 372.490 3.201 20 10 FGCDMO C[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000187113730 496299415 /nfs/dbraw/zinc/29/94/15/496299415.db2.gz CNMSPAMRPCBKSW-RDJZCZTQSA-N 1 1 354.450 3.223 20 10 FGCDMO Cc1ccc2nc(C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)cn2c1 ZINC000172676699 496382357 /nfs/dbraw/zinc/38/23/57/496382357.db2.gz KDKQEXDSAOKDHT-UHFFFAOYSA-N 1 1 350.466 3.111 20 10 FGCDMO Cc1ccc2nc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)cn2c1 ZINC000172676699 496382360 /nfs/dbraw/zinc/38/23/60/496382360.db2.gz KDKQEXDSAOKDHT-UHFFFAOYSA-N 1 1 350.466 3.111 20 10 FGCDMO Cc1csc([C@@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000181627360 496476567 /nfs/dbraw/zinc/47/65/67/496476567.db2.gz QOMSSLCLVQNHJG-IBGZPJMESA-N 1 1 372.538 3.217 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+](CC)CC(=O)Nc2ccccc2OC)c1 ZINC000178857163 496594988 /nfs/dbraw/zinc/59/49/88/496594988.db2.gz FWYIKMAIFQPBLD-UHFFFAOYSA-N 1 1 358.438 3.260 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+](CC)CC(=O)Nc2ccccc2OC)c1 ZINC000178857163 496594996 /nfs/dbraw/zinc/59/49/96/496594996.db2.gz FWYIKMAIFQPBLD-UHFFFAOYSA-N 1 1 358.438 3.260 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1 ZINC000273600712 496851247 /nfs/dbraw/zinc/85/12/47/496851247.db2.gz RYFFPMSBBZYHSN-CYBMUJFWSA-N 1 1 357.406 3.191 20 10 FGCDMO COc1c([O-])c(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278229779 497043729 /nfs/dbraw/zinc/04/37/29/497043729.db2.gz MRVKJWQTCXKBMH-MRXNPFEDSA-N 1 1 372.421 3.348 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278229779 497043737 /nfs/dbraw/zinc/04/37/37/497043737.db2.gz MRVKJWQTCXKBMH-MRXNPFEDSA-N 1 1 372.421 3.348 20 10 FGCDMO COc1c(O)c(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278229779 497043740 /nfs/dbraw/zinc/04/37/40/497043740.db2.gz MRVKJWQTCXKBMH-MRXNPFEDSA-N 1 1 372.421 3.348 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000278451317 497118288 /nfs/dbraw/zinc/11/82/88/497118288.db2.gz XYPALKOWWQCDAK-VLIAUNLRSA-N 1 1 374.437 3.028 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccccc1O ZINC000267298845 497519131 /nfs/dbraw/zinc/51/91/31/497519131.db2.gz FFYCUUUYXPLCGF-LPHOPBHVSA-N 1 1 353.466 3.102 20 10 FGCDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(Br)cc(C)c3O)[C@@H]2C1 ZINC000245945444 497580936 /nfs/dbraw/zinc/58/09/36/497580936.db2.gz VMUWOHAMHYOTQF-OAGGEKHMSA-N 1 1 370.287 3.231 20 10 FGCDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(Br)cc(C)c3O)[C@@H]2C1 ZINC000245945444 497580938 /nfs/dbraw/zinc/58/09/38/497580938.db2.gz VMUWOHAMHYOTQF-OAGGEKHMSA-N 1 1 370.287 3.231 20 10 FGCDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c(F)ccc(O)c1O ZINC000276647408 497619976 /nfs/dbraw/zinc/61/99/76/497619976.db2.gz WEDOAFXEEITURO-MQVJKMGUSA-N 1 1 370.424 3.162 20 10 FGCDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000276840415 497668292 /nfs/dbraw/zinc/66/82/92/497668292.db2.gz SMHGILXFHNKDBE-LJQANCHMSA-N 1 1 366.461 3.168 20 10 FGCDMO COC(=O)C[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CCCC1 ZINC000296802483 498203714 /nfs/dbraw/zinc/20/37/14/498203714.db2.gz PFQGCKNFKDSGGV-UHFFFAOYSA-N 1 1 360.498 3.219 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)C(C)(C)C)CC2)c1O ZINC000360331654 498265532 /nfs/dbraw/zinc/26/55/32/498265532.db2.gz AGFUGGAHEJWUSK-UHFFFAOYSA-N 1 1 354.878 3.135 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCCN(C(=O)C(C)(C)C)CC2)c1O ZINC000360331654 498265539 /nfs/dbraw/zinc/26/55/39/498265539.db2.gz AGFUGGAHEJWUSK-UHFFFAOYSA-N 1 1 354.878 3.135 20 10 FGCDMO C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000282205170 498422609 /nfs/dbraw/zinc/42/26/09/498422609.db2.gz HARQGNGWFOBOLA-LBPRGKRZSA-N 1 1 360.329 3.376 20 10 FGCDMO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293779614 498486778 /nfs/dbraw/zinc/48/67/78/498486778.db2.gz QBKWYCZZYGFGTB-UGKGYDQZSA-N 1 1 367.537 3.292 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[NH2+]CCCN2CCC(O)CC2)cc1 ZINC000295213475 498945794 /nfs/dbraw/zinc/94/57/94/498945794.db2.gz ARRXHTCVRUIMTK-UHFFFAOYSA-N 1 1 373.566 3.321 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+](C)C[C@H](O)Cc3ccccc3)cc2)CC1 ZINC000295270669 498961289 /nfs/dbraw/zinc/96/12/89/498961289.db2.gz ZEIGTVXCLNDDQX-JOCHJYFZSA-N 1 1 368.521 3.337 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000370409695 499218110 /nfs/dbraw/zinc/21/81/10/499218110.db2.gz IBYVQXQXCOXTOJ-UWJYYQICSA-N 1 1 355.482 3.311 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CC[N@@H+](C)[C@@H]4C3)ccc21 ZINC000368588868 499310804 /nfs/dbraw/zinc/31/08/04/499310804.db2.gz HHEDLBSXZNVHCQ-LAUBAEHRSA-N 1 1 369.509 3.071 20 10 FGCDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368824583 499336690 /nfs/dbraw/zinc/33/66/90/499336690.db2.gz LTUDGPUIGAHYRV-INIZCTEOSA-N 1 1 367.497 3.002 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC(c3ccccc3CO)CC2)ccc1[N+](=O)[O-] ZINC000372972021 499445336 /nfs/dbraw/zinc/44/53/36/499445336.db2.gz GLVBJXIMJCLLHW-UHFFFAOYSA-N 1 1 372.421 3.181 20 10 FGCDMO CCc1nccc([C@H]2CCC[N@@H+](Cc3cc(OC)c(OC)cc3O)C2)n1 ZINC000378436876 499516496 /nfs/dbraw/zinc/51/64/96/499516496.db2.gz DQOPYAQCGSZPKB-AWEZNQCLSA-N 1 1 357.454 3.141 20 10 FGCDMO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(F)cc1O ZINC000375852651 499562373 /nfs/dbraw/zinc/56/23/73/499562373.db2.gz ODUFGFLNCBEQMA-NVXWUHKLSA-N 1 1 374.460 3.497 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc21 ZINC000607689958 506227596 /nfs/dbraw/zinc/22/75/96/506227596.db2.gz USAIYWOLXFRVDG-KSSFIOAISA-N 1 1 357.498 3.117 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCSC[C@H]2C)C1 ZINC000435870179 501039721 /nfs/dbraw/zinc/03/97/21/501039721.db2.gz DUOSZCMQDSQTJU-MRXNPFEDSA-N 1 1 371.550 3.372 20 10 FGCDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000490234399 503137576 /nfs/dbraw/zinc/13/75/76/503137576.db2.gz DGYXWJKUOFURBF-HNNXBMFYSA-N 1 1 359.514 3.365 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)ccc21 ZINC000606339698 507368115 /nfs/dbraw/zinc/36/81/15/507368115.db2.gz BCDDAWRPJUIWKX-OAQYLSRUSA-N 1 1 371.525 3.317 20 10 FGCDMO C[C@H]([NH2+]Cc1cccc(Br)c1O)c1ccc(NC(N)=O)cc1 ZINC000098039219 700465040 /nfs/dbraw/zinc/46/50/40/700465040.db2.gz ATJSMTSIBIADJJ-JTQLQIEISA-N 1 1 364.243 3.496 20 10 FGCDMO COC(=O)c1cc(C[N@@H+](C)Cc2cc(Br)ccc2O)oc1C ZINC000122413346 700689346 /nfs/dbraw/zinc/68/93/46/700689346.db2.gz HLMJNAIINIDZRX-UHFFFAOYSA-N 1 1 368.227 3.475 20 10 FGCDMO Oc1cccc(Cl)c1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000125652491 700738073 /nfs/dbraw/zinc/73/80/73/700738073.db2.gz PNSNVWCBUKMXKS-UHFFFAOYSA-N 1 1 360.870 3.373 20 10 FGCDMO CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H]1CC[N@@H+](C)C1 ZINC000187671398 712751705 /nfs/dbraw/zinc/75/17/05/712751705.db2.gz DAZDWGQWGGFWBP-AWEZNQCLSA-N 1 1 359.495 3.385 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000779164147 724397294 /nfs/dbraw/zinc/39/72/94/724397294.db2.gz WADJTTGTTFNZHP-UONOGXRCSA-N 1 1 350.459 3.136 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](CCN(C)C)C2CCCC2)c1O ZINC000779172671 724397599 /nfs/dbraw/zinc/39/75/99/724397599.db2.gz SOHXVCRLTHRPEP-UHFFFAOYSA-N 1 1 371.319 3.470 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1O ZINC000790934657 723195923 /nfs/dbraw/zinc/19/59/23/723195923.db2.gz QPABRMDJQHGFTB-FZMZJTMJSA-N 1 1 358.276 3.289 20 10 FGCDMO CC[C@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)C[C@@]2(CCOC2)O1 ZINC000793361722 723429451 /nfs/dbraw/zinc/42/94/51/723429451.db2.gz PEHLNOZRFWTPBN-DOTOQJQBSA-N 1 1 370.287 3.233 20 10 FGCDMO CC[C@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)C[C@@]2(CCOC2)O1 ZINC000793361722 723429452 /nfs/dbraw/zinc/42/94/52/723429452.db2.gz PEHLNOZRFWTPBN-DOTOQJQBSA-N 1 1 370.287 3.233 20 10 FGCDMO COc1cccc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000770389433 723712754 /nfs/dbraw/zinc/71/27/54/723712754.db2.gz WIEKWXWRTIRSKI-KBPBESRZSA-N 1 1 350.459 3.136 20 10 FGCDMO O=C(NCCCSc1nccs1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000748529919 722694975 /nfs/dbraw/zinc/69/49/75/722694975.db2.gz FVIJOSSDDUBRRP-CQSZACIVSA-N 1 1 353.557 3.396 20 10 FGCDMO COC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCCC1 ZINC000754273309 722933313 /nfs/dbraw/zinc/93/33/13/722933313.db2.gz AENMSRNHWFFZQT-MRXNPFEDSA-N 1 1 366.889 3.085 20 10 FGCDMO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000756443923 722964735 /nfs/dbraw/zinc/96/47/35/722964735.db2.gz JNWKVQQNJMNGNZ-ZDUSSCGKSA-N 1 1 366.458 3.069 20 10 FGCDMO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)[C@@H](CC)CN1C(C)=O ZINC000761203369 723132846 /nfs/dbraw/zinc/13/28/46/723132846.db2.gz QTELCLINIZPSEN-HOTGVXAUSA-N 1 1 354.878 3.276 20 10 FGCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)[C@@H](CC)CN1C(C)=O ZINC000761203369 723132847 /nfs/dbraw/zinc/13/28/47/723132847.db2.gz QTELCLINIZPSEN-HOTGVXAUSA-N 1 1 354.878 3.276 20 10 FGCDMO COc1cc(Br)cc(CNCC(C)(C)C[NH+]2CCCC2)c1O ZINC000791011430 723205398 /nfs/dbraw/zinc/20/53/98/723205398.db2.gz SXHFQROPWLGTAE-UHFFFAOYSA-N 1 1 371.319 3.375 20 10 FGCDMO NC(=O)[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccc(Br)c1 ZINC000793267058 723418691 /nfs/dbraw/zinc/41/86/91/723418691.db2.gz SBUYRLBSIHNSCY-CQSZACIVSA-N 1 1 369.646 3.124 20 10 FGCDMO COc1ccc(N2CCC[N@@H+](Cc3cccc4nsnc43)CC2)cc1 ZINC000766017166 723551509 /nfs/dbraw/zinc/55/15/09/723551509.db2.gz DFSIOYKHGLAFQA-UHFFFAOYSA-N 1 1 354.479 3.412 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ncc[nH]1 ZINC000796693118 723650475 /nfs/dbraw/zinc/65/04/75/723650475.db2.gz DWHMBLQMGMYGON-GFCCVEGCSA-N 1 1 354.376 3.116 20 10 FGCDMO CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000768237558 723651432 /nfs/dbraw/zinc/65/14/32/723651432.db2.gz PXKOPTFDYZDILA-CQSZACIVSA-N 1 1 363.479 3.387 20 10 FGCDMO CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000768237558 723651434 /nfs/dbraw/zinc/65/14/34/723651434.db2.gz PXKOPTFDYZDILA-CQSZACIVSA-N 1 1 363.479 3.387 20 10 FGCDMO CC[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1O ZINC000796756301 723653713 /nfs/dbraw/zinc/65/37/13/723653713.db2.gz UYDSTFPFXVOLEU-QGZVFWFLSA-N 1 1 367.442 3.055 20 10 FGCDMO COc1cccc(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000770389438 723712701 /nfs/dbraw/zinc/71/27/01/723712701.db2.gz WIEKWXWRTIRSKI-ZIAGYGMSSA-N 1 1 350.459 3.136 20 10 FGCDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cs1 ZINC000772856736 723769987 /nfs/dbraw/zinc/76/99/87/723769987.db2.gz IDWFDHFVXQFVAI-BBRMVZONSA-N 1 1 358.511 3.004 20 10 FGCDMO Oc1cc2c(cc1C[N@@H+]1CC=C(c3ccc(Cl)nc3)CC1)[C@@H](O)CO2 ZINC000773252903 723780130 /nfs/dbraw/zinc/78/01/30/723780130.db2.gz SINIUJIRAQNEMH-KRWDZBQOSA-N 1 1 358.825 3.156 20 10 FGCDMO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)s1 ZINC000797138959 723785533 /nfs/dbraw/zinc/78/55/33/723785533.db2.gz BUPIYOYSUZTMPK-OUAUKWLOSA-N 1 1 366.462 3.259 20 10 FGCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000773759971 723821138 /nfs/dbraw/zinc/82/11/38/723821138.db2.gz CJZKBJBTXOLSPY-KPZWWZAWSA-N 1 1 362.857 3.101 20 10 FGCDMO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(C)cc(Br)c2O)C1 ZINC000798089432 723903512 /nfs/dbraw/zinc/90/35/12/723903512.db2.gz WIPPFDFGFMQQCJ-YPMHNXCESA-N 1 1 356.260 3.285 20 10 FGCDMO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@H](C)[C@H]1OC ZINC000775052057 723956353 /nfs/dbraw/zinc/95/63/53/723956353.db2.gz SDTFBSXQQYVVIE-YMRXKLBXSA-N 1 1 352.431 3.238 20 10 FGCDMO COc1c(O)c(C[NH2+]CCC2CC(OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000775117369 723962206 /nfs/dbraw/zinc/96/22/06/723962206.db2.gz DKWSAGRIBMILNU-UHFFFAOYSA-N 1 1 352.431 3.382 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000775738328 724034923 /nfs/dbraw/zinc/03/49/23/724034923.db2.gz ANNSUMRIPXRENT-UONOGXRCSA-N 1 1 350.459 3.136 20 10 FGCDMO COc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)c1O ZINC000776695926 724171402 /nfs/dbraw/zinc/17/14/02/724171402.db2.gz YJFOBWCTNKEXMC-KBPBESRZSA-N 1 1 350.459 3.231 20 10 FGCDMO Cc1cc(Br)cc(C[NH2+]Cc2ncnn2-c2ccccc2)c1O ZINC000787295789 725024066 /nfs/dbraw/zinc/02/40/66/725024066.db2.gz GYUMRAOTHVMOJT-UHFFFAOYSA-N 1 1 373.254 3.334 20 10 FGCDMO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C[N@@H+]1C1CC1 ZINC000805191113 725055661 /nfs/dbraw/zinc/05/56/61/725055661.db2.gz ROKNPPPJSXUEOV-BXKDBHETSA-N 1 1 358.269 3.123 20 10 FGCDMO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C[N@H+]1C1CC1 ZINC000805191113 725055663 /nfs/dbraw/zinc/05/56/63/725055663.db2.gz ROKNPPPJSXUEOV-BXKDBHETSA-N 1 1 358.269 3.123 20 10 FGCDMO C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000788817216 725089626 /nfs/dbraw/zinc/08/96/26/725089626.db2.gz XWCMHBSHVSUIGR-ZDUSSCGKSA-N 1 1 359.436 3.088 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000806180335 725120032 /nfs/dbraw/zinc/12/00/32/725120032.db2.gz MSPBMLSXATUBLS-SWLSCSKDSA-N 1 1 363.841 3.259 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000809767541 725266617 /nfs/dbraw/zinc/26/66/17/725266617.db2.gz NMAVSKLBASQPBT-XJKSGUPXSA-N 1 1 353.304 3.379 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000809767541 725266618 /nfs/dbraw/zinc/26/66/18/725266618.db2.gz NMAVSKLBASQPBT-XJKSGUPXSA-N 1 1 353.304 3.379 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000809767541 725266619 /nfs/dbraw/zinc/26/66/19/725266619.db2.gz NMAVSKLBASQPBT-XJKSGUPXSA-N 1 1 353.304 3.379 20 10 FGCDMO CCOc1ccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(O)c1 ZINC000809772362 725267506 /nfs/dbraw/zinc/26/75/06/725267506.db2.gz ULANRFNVQXVLDK-BBRMVZONSA-N 1 1 350.459 3.278 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(C(F)(F)F)c1O ZINC000815592906 727085338 /nfs/dbraw/zinc/08/53/38/727085338.db2.gz VQWABUPLULUJFC-GZMMTYOYSA-N 1 1 370.293 3.225 20 10 FGCDMO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816498753 727168496 /nfs/dbraw/zinc/16/84/96/727168496.db2.gz KOHLIZFIGRGZEW-GASCZTMLSA-N 1 1 369.912 3.175 20 10 FGCDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816498753 727168500 /nfs/dbraw/zinc/16/85/00/727168500.db2.gz KOHLIZFIGRGZEW-GASCZTMLSA-N 1 1 369.912 3.175 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCCO[C@@H](C(C)C)C2)c1O ZINC000816676029 727188526 /nfs/dbraw/zinc/18/85/26/727188526.db2.gz QSTLNECXSUTLNS-OAHLLOKOSA-N 1 1 358.276 3.410 20 10 FGCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817281301 727236021 /nfs/dbraw/zinc/23/60/21/727236021.db2.gz JNTYFNDHWJAMDE-OAHLLOKOSA-N 1 1 357.420 3.033 20 10 FGCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817281301 727236023 /nfs/dbraw/zinc/23/60/23/727236023.db2.gz JNTYFNDHWJAMDE-OAHLLOKOSA-N 1 1 357.420 3.033 20 10 FGCDMO COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817941378 727289051 /nfs/dbraw/zinc/28/90/51/727289051.db2.gz JPDQBNGDFHYXLP-SUMWQHHRSA-N 1 1 362.543 3.057 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000818431432 727311141 /nfs/dbraw/zinc/31/11/41/727311141.db2.gz LYNCUZXRTKOFDN-ZDUSSCGKSA-N 1 1 353.304 3.427 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000824203638 729323972 /nfs/dbraw/zinc/32/39/72/729323972.db2.gz WUXDPDAOWZQSDZ-GOSISDBHSA-N 1 1 353.495 3.423 20 10 FGCDMO COC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000825321516 729378730 /nfs/dbraw/zinc/37/87/30/729378730.db2.gz GDZPCVHTDXDEFK-LBPRGKRZSA-N 1 1 358.276 3.412 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000825478822 729384649 /nfs/dbraw/zinc/38/46/49/729384649.db2.gz GXDDCAZZZIRBSH-SFHVURJKSA-N 1 1 360.885 3.210 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC000825478822 729384652 /nfs/dbraw/zinc/38/46/52/729384652.db2.gz GXDDCAZZZIRBSH-SFHVURJKSA-N 1 1 360.885 3.210 20 10 FGCDMO CC1([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3O)C2)OCCO1 ZINC000825501146 729385573 /nfs/dbraw/zinc/38/55/73/729385573.db2.gz LKVMWELQKMEGAN-CYBMUJFWSA-N 1 1 356.260 3.130 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000825887911 729398589 /nfs/dbraw/zinc/39/85/89/729398589.db2.gz XKGREWCNGBDSBG-CYBMUJFWSA-N 1 1 368.193 3.434 20 10 FGCDMO OC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)CC[C@H]1C(F)(F)F ZINC000825887619 729398611 /nfs/dbraw/zinc/39/86/11/729398611.db2.gz VSAFRKXYYQJENN-CMPLNLGQSA-N 1 1 368.193 3.147 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cc(Br)c(F)cc1O ZINC000840887550 730188423 /nfs/dbraw/zinc/18/84/23/730188423.db2.gz ZUGMUPDDRWNDJT-CQOUMUIBSA-N 1 1 368.193 3.493 20 10 FGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cnc(-c3ccncc3)s2)cc1 ZINC000841046296 730205967 /nfs/dbraw/zinc/20/59/67/730205967.db2.gz ZLPGRLWDGFEVMV-GOSISDBHSA-N 1 1 353.495 3.061 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](C(=O)NC)(C(F)(F)F)C2)cc1 ZINC000843432014 730620749 /nfs/dbraw/zinc/62/07/49/730620749.db2.gz HQVTZVUMJNGARC-KRWDZBQOSA-N 1 1 357.420 3.033 20 10 FGCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1(C(F)F)CC1 ZINC000843832946 730658802 /nfs/dbraw/zinc/65/88/02/730658802.db2.gz YXIRZPKWSPOJEI-ZDUSSCGKSA-N 1 1 358.816 3.172 20 10 FGCDMO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000844902223 730787107 /nfs/dbraw/zinc/78/71/07/730787107.db2.gz LYXUGKXPORDMOG-XFJVYGCCSA-N 1 1 359.297 3.417 20 10 FGCDMO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000850558319 731372650 /nfs/dbraw/zinc/37/26/50/731372650.db2.gz QBQILALNMFAEJX-VIFPVBQESA-N 1 1 352.283 3.317 20 10 FGCDMO CCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000850557110 731372845 /nfs/dbraw/zinc/37/28/45/731372845.db2.gz UOWXDJJBHJCMKM-CVEARBPZSA-N 1 1 351.922 3.312 20 10 FGCDMO CCCN1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000850557110 731372849 /nfs/dbraw/zinc/37/28/49/731372849.db2.gz UOWXDJJBHJCMKM-CVEARBPZSA-N 1 1 351.922 3.312 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1[O-] ZINC000852754541 731630789 /nfs/dbraw/zinc/63/07/89/731630789.db2.gz UOFYABJOPBBZEF-HNNXBMFYSA-N 1 1 350.890 3.460 20 10 FGCDMO CC(C)OCCN1CCC([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858148062 732186001 /nfs/dbraw/zinc/18/60/01/732186001.db2.gz JVKBORXNFWTDMQ-UHFFFAOYSA-N 1 1 355.473 3.010 20 10 FGCDMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862240737 732795507 /nfs/dbraw/zinc/79/55/07/732795507.db2.gz OIOZKNPISXRVKD-CYBMUJFWSA-N 1 1 367.287 3.132 20 10 FGCDMO CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862249806 732798837 /nfs/dbraw/zinc/79/88/37/732798837.db2.gz DCLISFNGVJSBOK-AWEZNQCLSA-N 1 1 371.319 3.087 20 10 FGCDMO CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862249806 732798841 /nfs/dbraw/zinc/79/88/41/732798841.db2.gz DCLISFNGVJSBOK-AWEZNQCLSA-N 1 1 371.319 3.087 20 10 FGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1F ZINC000862365354 732816506 /nfs/dbraw/zinc/81/65/06/732816506.db2.gz PLQXISJBTAQDGP-OAHLLOKOSA-N 1 1 352.347 3.310 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1F ZINC000862365354 732816511 /nfs/dbraw/zinc/81/65/11/732816511.db2.gz PLQXISJBTAQDGP-OAHLLOKOSA-N 1 1 352.347 3.310 20 10 FGCDMO OC[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@H]1C(F)(F)F ZINC000862364611 732816635 /nfs/dbraw/zinc/81/66/35/732816635.db2.gz FLDZITRSSBZHGD-GXSJLCMTSA-N 1 1 368.193 3.147 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862541133 732847524 /nfs/dbraw/zinc/84/75/24/732847524.db2.gz MRWSSMIRMUGGKB-LLVKDONJSA-N 1 1 358.866 3.399 20 10 FGCDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c(O)c1OC ZINC000892204332 739975441 /nfs/dbraw/zinc/97/54/41/739975441.db2.gz KJBAMJFGICXMME-CANCMXDXSA-N 1 1 363.479 3.340 20 10 FGCDMO CCOC(=O)c1ncc(C[NH2+]Cc2cccc(Br)c2O)s1 ZINC000894046433 742231570 /nfs/dbraw/zinc/23/15/70/742231570.db2.gz OLUVYLHQALQDOW-UHFFFAOYSA-N 1 1 371.256 3.078 20 10 FGCDMO COc1ccc(C[N@H+](CC(=O)OC(C)(C)C)C2CCC2)c(O)c1OC ZINC000895231624 742389516 /nfs/dbraw/zinc/38/95/16/742389516.db2.gz OHUUGNXMLIURPA-UHFFFAOYSA-N 1 1 351.443 3.106 20 10 FGCDMO COc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)C2CCC2)c(O)c1OC ZINC000895231624 742389521 /nfs/dbraw/zinc/38/95/21/742389521.db2.gz OHUUGNXMLIURPA-UHFFFAOYSA-N 1 1 351.443 3.106 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC000895837098 742460399 /nfs/dbraw/zinc/46/03/99/742460399.db2.gz RGCAALAXRSWOKH-CYBMUJFWSA-N 1 1 368.193 3.210 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)ccc1[N+](=O)[O-] ZINC000896535441 742563271 /nfs/dbraw/zinc/56/32/71/742563271.db2.gz MBAYQMJEGTWROU-GFCCVEGCSA-N 1 1 363.439 3.220 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@H](Cc3nccs3)C2)ccc1[N+](=O)[O-] ZINC000896535441 742563274 /nfs/dbraw/zinc/56/32/74/742563274.db2.gz MBAYQMJEGTWROU-GFCCVEGCSA-N 1 1 363.439 3.220 20 10 FGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2ncc(Br)cn2)c2c1c(F)ccc2O ZINC000903321074 743837182 /nfs/dbraw/zinc/83/71/82/743837182.db2.gz WUNWCNFOMLJWPX-LDYMZIIASA-N 1 1 352.207 3.422 20 10 FGCDMO Cc1cnc(Cl)c(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000921584926 758750284 /nfs/dbraw/zinc/75/02/84/758750284.db2.gz AWTNEDCNZLAPFP-UHFFFAOYSA-N 1 1 363.864 3.433 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1 ZINC000922812644 759010215 /nfs/dbraw/zinc/01/02/15/759010215.db2.gz WHJMGLDCYHFKNO-AWEZNQCLSA-N 1 1 370.287 3.281 20 10 FGCDMO COc1ccc(N2CCC[N@@H+](Cc3c[nH]nc3-c3cccnc3)CC2)cc1 ZINC000092380816 494609681 /nfs/dbraw/zinc/60/96/81/494609681.db2.gz BSRDRVQKCNMCFL-UHFFFAOYSA-N 1 1 363.465 3.193 20 10 FGCDMO COc1ccc(N2CCN(CCC[NH2+][C@@H](C)c3nccs3)CC2)cc1 ZINC000093370513 494881294 /nfs/dbraw/zinc/88/12/94/494881294.db2.gz RAMIWXSIZIEAFV-INIZCTEOSA-N 1 1 360.527 3.015 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)OCO2 ZINC000117325996 494910120 /nfs/dbraw/zinc/91/01/20/494910120.db2.gz TZXUWHWVYFXERQ-UHFFFAOYSA-N 1 1 357.250 3.438 20 10 FGCDMO COc1ccc(C(=O)N2CCC[N@@H+](Cc3cc(C)ccc3O)CC2)cc1 ZINC000123223432 495098726 /nfs/dbraw/zinc/09/87/26/495098726.db2.gz SUHQKVMTSJQREM-UHFFFAOYSA-N 1 1 354.450 3.057 20 10 FGCDMO C[C@H]1C[C@@H](CNC(=O)N(C)Cc2ccccc2O)C[N@H+]1Cc1ccccc1 ZINC000119324538 495141946 /nfs/dbraw/zinc/14/19/46/495141946.db2.gz LVZBSOFJAIQNOY-HKUYNNGSSA-N 1 1 367.493 3.444 20 10 FGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000159141021 495667892 /nfs/dbraw/zinc/66/78/92/495667892.db2.gz LZTAZQCSQHMCNU-GOSISDBHSA-N 1 1 367.541 3.140 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154916419 495772041 /nfs/dbraw/zinc/77/20/41/495772041.db2.gz XYVRUNINHGYFDM-ZWKOTPCHSA-N 1 1 362.537 3.103 20 10 FGCDMO CC[N@@H+](Cc1cn2cccnc2n1)Cc1cc(Br)ccc1O ZINC000173992977 495780647 /nfs/dbraw/zinc/78/06/47/495780647.db2.gz CGLGAIFFDWYTFD-UHFFFAOYSA-N 1 1 361.243 3.220 20 10 FGCDMO Cc1ccc([C@H](C)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c(O)c1 ZINC000186350142 495958863 /nfs/dbraw/zinc/95/88/63/495958863.db2.gz GSPGRLYGJDEFSI-HNAYVOBHSA-N 1 1 353.466 3.323 20 10 FGCDMO C[C@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000153679123 496542930 /nfs/dbraw/zinc/54/29/30/496542930.db2.gz OJNOUCGRGFIABG-PKOBYXMFSA-N 1 1 357.542 3.315 20 10 FGCDMO C[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000153679123 496542937 /nfs/dbraw/zinc/54/29/37/496542937.db2.gz OJNOUCGRGFIABG-PKOBYXMFSA-N 1 1 357.542 3.315 20 10 FGCDMO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@@](=O)C1 ZINC000277402643 496762375 /nfs/dbraw/zinc/76/23/75/496762375.db2.gz HWHQZOKIVIZJPY-PUAOIOHZSA-N 1 1 359.491 3.172 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@@](=O)C1 ZINC000277402643 496762380 /nfs/dbraw/zinc/76/23/80/496762380.db2.gz HWHQZOKIVIZJPY-PUAOIOHZSA-N 1 1 359.491 3.172 20 10 FGCDMO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cc(OC)ccc3O)n2)c1 ZINC000191566186 496814961 /nfs/dbraw/zinc/81/49/61/496814961.db2.gz FLOOTAQLHIFCPF-GFCCVEGCSA-N 1 1 355.394 3.310 20 10 FGCDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000273612115 496854012 /nfs/dbraw/zinc/85/40/12/496854012.db2.gz WGZSSRNUPPACGJ-CHWSQXEVSA-N 1 1 366.458 3.193 20 10 FGCDMO C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)CN1CCN(C)CC1 ZINC000264373445 496885041 /nfs/dbraw/zinc/88/50/41/496885041.db2.gz MDRUKYBNOWMJOX-SFHVURJKSA-N 1 1 353.510 3.032 20 10 FGCDMO CC[N@@H+](C)[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000574892084 505876833 /nfs/dbraw/zinc/87/68/33/505876833.db2.gz FFDASHIOVXWJJY-FQEVSTJZSA-N 1 1 353.466 3.171 20 10 FGCDMO CCOCc1cc(C[NH2+]Cc2ncnn2-c2ccccc2)ccc1OC ZINC000278609572 497165745 /nfs/dbraw/zinc/16/57/45/497165745.db2.gz CVXCLDBSAHIENA-UHFFFAOYSA-N 1 1 352.438 3.102 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](Cc2cnc(N3CCOCC3)s2)C2CC2)cc1 ZINC000271046102 497252910 /nfs/dbraw/zinc/25/29/10/497252910.db2.gz LSTUQRSYDUXKEZ-UHFFFAOYSA-N 1 1 372.538 3.210 20 10 FGCDMO COc1c(O)c(C[NH2+]CCc2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] ZINC000278895408 497259360 /nfs/dbraw/zinc/25/93/60/497259360.db2.gz QHYPVMAKHXDDCV-UHFFFAOYSA-N 1 1 365.455 3.395 20 10 FGCDMO COc1cc(C)c(C[N@@H+](C)Cc2cc(OC)c(OC)cc2O)cc1OC ZINC000271124535 497268811 /nfs/dbraw/zinc/26/88/11/497268811.db2.gz ZKLRKGSMGCLHRB-UHFFFAOYSA-N 1 1 361.438 3.367 20 10 FGCDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000271780128 497446981 /nfs/dbraw/zinc/44/69/81/497446981.db2.gz HLZFTCZKHPAGNZ-ZDUSSCGKSA-N 1 1 374.403 3.024 20 10 FGCDMO C[C@@H](NC(=O)NCc1ccccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272301855 497590662 /nfs/dbraw/zinc/59/06/62/497590662.db2.gz IWPXJAUSEUEFGH-VQIMIIECSA-N 1 1 353.466 3.102 20 10 FGCDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cc(Br)ccc1O)C2 ZINC000364449874 497964121 /nfs/dbraw/zinc/96/41/21/497964121.db2.gz SUPADRJPMWEBIM-SFHVURJKSA-N 1 1 373.250 3.251 20 10 FGCDMO CN(C)c1ccc(C[N@H+](Cc2cnc(C3OCCO3)s2)C2CC2)cc1 ZINC000289209402 498060258 /nfs/dbraw/zinc/06/02/58/498060258.db2.gz WKAHABGSLOZNMT-UHFFFAOYSA-N 1 1 359.495 3.419 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](Cc2cnc(C3OCCO3)s2)C2CC2)cc1 ZINC000289209402 498060266 /nfs/dbraw/zinc/06/02/66/498060266.db2.gz WKAHABGSLOZNMT-UHFFFAOYSA-N 1 1 359.495 3.419 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC3(CC2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000364761700 498132653 /nfs/dbraw/zinc/13/26/53/498132653.db2.gz WGJBCINCBPCDOJ-UHFFFAOYSA-N 1 1 370.405 3.331 20 10 FGCDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000364991366 498244022 /nfs/dbraw/zinc/24/40/22/498244022.db2.gz ZEAGYEILGGPSRC-BVBGJJFLSA-N 1 1 355.438 3.122 20 10 FGCDMO CC[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1O ZINC000286005591 498265577 /nfs/dbraw/zinc/26/55/77/498265577.db2.gz IWYKMFLAABRSNR-KRWDZBQOSA-N 1 1 351.443 3.187 20 10 FGCDMO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000293896797 498526619 /nfs/dbraw/zinc/52/66/19/498526619.db2.gz KTEDWQXAUMKOAV-INIZCTEOSA-N 1 1 359.491 3.316 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000294949250 498859674 /nfs/dbraw/zinc/85/96/74/498859674.db2.gz MKIQHCUTHVRMMJ-GOSISDBHSA-N 1 1 354.498 3.405 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000294966292 498865242 /nfs/dbraw/zinc/86/52/42/498865242.db2.gz LIJRHVHYYWWZKF-SFHVURJKSA-N 1 1 374.525 3.465 20 10 FGCDMO COCC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)Cc1cccnc1 ZINC000295684981 499079933 /nfs/dbraw/zinc/07/99/33/499079933.db2.gz HODDKOBRRRUWHX-UHFFFAOYSA-N 1 1 369.509 3.345 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](N4CCCC4)[C@@H]3C)cc2)CC1 ZINC000295724568 499088790 /nfs/dbraw/zinc/08/87/90/499088790.db2.gz HIICHLHZOWCJPF-PGRDOPGGSA-N 1 1 357.542 3.360 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](N4CCCC4)[C@@H]3C)cc2)CC1 ZINC000295724568 499088795 /nfs/dbraw/zinc/08/87/95/499088795.db2.gz HIICHLHZOWCJPF-PGRDOPGGSA-N 1 1 357.542 3.360 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](N4CCCC4)[C@@H]3C)cc2)CC1 ZINC000295724563 499089050 /nfs/dbraw/zinc/08/90/50/499089050.db2.gz HIICHLHZOWCJPF-AVRDEDQJSA-N 1 1 357.542 3.360 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](N4CCCC4)[C@@H]3C)cc2)CC1 ZINC000295724563 499089053 /nfs/dbraw/zinc/08/90/53/499089053.db2.gz HIICHLHZOWCJPF-AVRDEDQJSA-N 1 1 357.542 3.360 20 10 FGCDMO CC[C@@H](c1ccccc1O)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000367376459 499191074 /nfs/dbraw/zinc/19/10/74/499191074.db2.gz ATXLZXUNYYLGQS-BQFCYCMXSA-N 1 1 360.477 3.121 20 10 FGCDMO Nc1ccc(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000370763626 499252170 /nfs/dbraw/zinc/25/21/70/499252170.db2.gz NAHLAGZJBGFCPN-QHCPKHFHSA-N 1 1 363.505 3.326 20 10 FGCDMO C[C@@H]([NH2+]C1CCN(C(=O)c2cccc(O)c2)CC1)c1ccc(F)cc1O ZINC000368333594 499286190 /nfs/dbraw/zinc/28/61/90/499286190.db2.gz RSMPPGHVLDOWCZ-CYBMUJFWSA-N 1 1 358.413 3.192 20 10 FGCDMO CN1CCCc2cc(C[NH2+][C@H]3CCS(=O)(=O)c4c(F)cccc43)ccc21 ZINC000368376807 499290431 /nfs/dbraw/zinc/29/04/31/499290431.db2.gz JGINCFGOILIJQQ-SFHVURJKSA-N 1 1 374.481 3.216 20 10 FGCDMO FC(F)(F)Oc1ccc(N2CCC([NH2+]Cc3csnn3)CC2)cc1 ZINC000371509965 499336503 /nfs/dbraw/zinc/33/65/03/499336503.db2.gz RJDRPBZURXDIHY-UHFFFAOYSA-N 1 1 358.389 3.195 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](c3ccnc(COC)n3)C2)c1 ZINC000372436591 499434748 /nfs/dbraw/zinc/43/47/48/499434748.db2.gz ULZNJGMPFSRITE-OAHLLOKOSA-N 1 1 357.454 3.107 20 10 FGCDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000373232984 499459085 /nfs/dbraw/zinc/45/90/85/499459085.db2.gz RTJKMRARPGXDKM-GFCCVEGCSA-N 1 1 350.260 3.268 20 10 FGCDMO C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000373520700 499474646 /nfs/dbraw/zinc/47/46/46/499474646.db2.gz ISFMEFGYJCGSMS-OCDPCBSRSA-N 1 1 357.542 3.315 20 10 FGCDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000378378356 499509041 /nfs/dbraw/zinc/50/90/41/499509041.db2.gz PQMLICYMUHAFDA-FCHUYYIVSA-N 1 1 368.525 3.499 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c1 ZINC000377681004 499719229 /nfs/dbraw/zinc/71/92/29/499719229.db2.gz NYNNNIFJYAWANI-DIOULYMOSA-N 1 1 359.426 3.184 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c1 ZINC000377681004 499719230 /nfs/dbraw/zinc/71/92/30/499719230.db2.gz NYNNNIFJYAWANI-DIOULYMOSA-N 1 1 359.426 3.184 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)NCCC[N@@H+](C)C(C)C)ccc21 ZINC000484727707 502722938 /nfs/dbraw/zinc/72/29/38/502722938.db2.gz JJRHJAXTPLAPBT-UHFFFAOYSA-N 1 1 359.514 3.365 20 10 FGCDMO Oc1cc2c(cc1C[N@@H+]1CCc3cccc(C(F)(F)F)c3C1)[C@@H](O)CO2 ZINC000530107812 503839301 /nfs/dbraw/zinc/83/93/01/503839301.db2.gz KGYANUULSKJQEE-KRWDZBQOSA-N 1 1 365.351 3.395 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCc3cccc(C(F)(F)F)c3C1)[C@@H](O)CO2 ZINC000530107812 503839307 /nfs/dbraw/zinc/83/93/07/503839307.db2.gz KGYANUULSKJQEE-KRWDZBQOSA-N 1 1 365.351 3.395 20 10 FGCDMO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000528151743 504093794 /nfs/dbraw/zinc/09/37/94/504093794.db2.gz UXRNKWCOILMJDV-HOCLYGCPSA-N 1 1 361.486 3.168 20 10 FGCDMO CCC[N@@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)Cc1ccccc1O ZINC000736479848 598763895 /nfs/dbraw/zinc/76/38/95/598763895.db2.gz JWZTZBJDIRNRAP-UHFFFAOYSA-N 1 1 362.437 3.237 20 10 FGCDMO COc1cc(C)cc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1O ZINC000826178336 607846539 /nfs/dbraw/zinc/84/65/39/607846539.db2.gz TVLQAQFPVMXIMP-UHFFFAOYSA-N 1 1 365.437 3.054 20 10 FGCDMO C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571619 695619458 /nfs/dbraw/zinc/61/94/58/695619458.db2.gz BXYBOPHAIXGONG-CQSZACIVSA-N 1 1 357.420 3.176 20 10 FGCDMO CCOc1ccc(O)c(C[NH+]2CCN(Cc3csc(CC)n3)CC2)c1 ZINC000092504962 700436781 /nfs/dbraw/zinc/43/67/81/700436781.db2.gz ZUVAYHDQDQUAGT-UHFFFAOYSA-N 1 1 361.511 3.128 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092704166 700440181 /nfs/dbraw/zinc/44/01/81/700440181.db2.gz ODYXDEOVBPBIHU-CYBMUJFWSA-N 1 1 371.275 3.254 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000092704166 700440183 /nfs/dbraw/zinc/44/01/83/700440183.db2.gz ODYXDEOVBPBIHU-CYBMUJFWSA-N 1 1 371.275 3.254 20 10 FGCDMO Oc1c(Br)cccc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683666 700453647 /nfs/dbraw/zinc/45/36/47/700453647.db2.gz SJJVCBIMCJIYFF-CQSZACIVSA-N 1 1 353.304 3.463 20 10 FGCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000179562069 705705421 /nfs/dbraw/zinc/70/54/21/705705421.db2.gz NKAAUHVQUWSCDG-OAHLLOKOSA-N 1 1 355.356 3.283 20 10 FGCDMO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000186164293 712711013 /nfs/dbraw/zinc/71/10/13/712711013.db2.gz LLOXORHOSRULKV-DZGCQCFKSA-N 1 1 351.443 3.434 20 10 FGCDMO CN(Cc1c(O)cccc1Cl)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000779225705 724400819 /nfs/dbraw/zinc/40/08/19/724400819.db2.gz VCPLWBBYLSMBJV-FQEVSTJZSA-N 1 1 360.885 3.114 20 10 FGCDMO CC[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)C[C@]2(CCOC2)O1 ZINC000793361736 723429375 /nfs/dbraw/zinc/42/93/75/723429375.db2.gz PEHLNOZRFWTPBN-WBVHZDCISA-N 1 1 370.287 3.233 20 10 FGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)C[C@]2(CCOC2)O1 ZINC000793361736 723429376 /nfs/dbraw/zinc/42/93/76/723429376.db2.gz PEHLNOZRFWTPBN-WBVHZDCISA-N 1 1 370.287 3.233 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@](C)(CO)c2ccccc2)c1 ZINC000781631886 724580489 /nfs/dbraw/zinc/58/04/89/724580489.db2.gz NMUZQXLPJCXSKF-QGZVFWFLSA-N 1 1 350.256 3.460 20 10 FGCDMO COCc1cc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)ncn1 ZINC000782143922 724631582 /nfs/dbraw/zinc/63/15/82/724631582.db2.gz YQLPGABJXSMMKH-HNNXBMFYSA-N 1 1 362.861 3.059 20 10 FGCDMO CC(=O)c1cc(F)cc(CN2CC[NH+](CCc3cccs3)CC2)c1O ZINC000750819588 722782127 /nfs/dbraw/zinc/78/21/27/722782127.db2.gz RLEQLZXHENYLGE-UHFFFAOYSA-N 1 1 362.470 3.156 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000756478896 722965356 /nfs/dbraw/zinc/96/53/56/722965356.db2.gz GOQQQQIHARAOKJ-LLVKDONJSA-N 1 1 362.813 3.122 20 10 FGCDMO CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000756582421 722967203 /nfs/dbraw/zinc/96/72/03/722967203.db2.gz INUUUXAFIIXHFW-IYOUNJFTSA-N 1 1 356.457 3.458 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000756761686 722969715 /nfs/dbraw/zinc/96/97/15/722969715.db2.gz UVQMHZDKNMLMLN-HIFRSBDPSA-N 1 1 365.495 3.274 20 10 FGCDMO COC(=O)[C@@](C)(C[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000792178035 723318391 /nfs/dbraw/zinc/31/83/91/723318391.db2.gz BHPDZVWEBZGMNO-SFHVURJKSA-N 1 1 351.805 3.405 20 10 FGCDMO COC(=O)[C@](C)(C[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000792178033 723318555 /nfs/dbraw/zinc/31/85/55/723318555.db2.gz BHPDZVWEBZGMNO-GOSISDBHSA-N 1 1 351.805 3.405 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)CCCNC(=O)C2CCC2)c1 ZINC000763627422 723356960 /nfs/dbraw/zinc/35/69/60/723356960.db2.gz SAMPIAKEKLFCLE-UHFFFAOYSA-N 1 1 369.303 3.201 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)CCCNC(=O)C2CCC2)c1 ZINC000763627422 723356963 /nfs/dbraw/zinc/35/69/63/723356963.db2.gz SAMPIAKEKLFCLE-UHFFFAOYSA-N 1 1 369.303 3.201 20 10 FGCDMO CN(C)c1ccc(C[NH+]2CCC(O)(C(F)F)CC2)c(C(F)(F)F)c1 ZINC000793093703 723399310 /nfs/dbraw/zinc/39/93/10/723399310.db2.gz RNWPKXDPUHERDX-UHFFFAOYSA-N 1 1 352.347 3.363 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2Cl)c1 ZINC000765808251 723542266 /nfs/dbraw/zinc/54/22/66/723542266.db2.gz HUGODACGWQQFDQ-BUXKBTBVSA-N 1 1 363.841 3.391 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](CSc3ccccc3)C1)[C@@H](O)CO2 ZINC000768466142 723658381 /nfs/dbraw/zinc/65/83/81/723658381.db2.gz MUAIUAUUJIUPJH-KUHUBIRLSA-N 1 1 357.475 3.432 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@H](C)[C@H](O)C3)c2C)c1 ZINC000768770156 723666879 /nfs/dbraw/zinc/66/68/79/723666879.db2.gz SFKQNNPZMQTYFG-ORAYPTAESA-N 1 1 358.507 3.311 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3C[C@H](C)[C@H](O)C3)c2C)c1 ZINC000768770156 723666880 /nfs/dbraw/zinc/66/68/80/723666880.db2.gz SFKQNNPZMQTYFG-ORAYPTAESA-N 1 1 358.507 3.311 20 10 FGCDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCS1 ZINC000768912059 723672039 /nfs/dbraw/zinc/67/20/39/723672039.db2.gz LYBXLNJGZOKBDJ-GOEBONIOSA-N 1 1 354.903 3.022 20 10 FGCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCCS1 ZINC000768912059 723672040 /nfs/dbraw/zinc/67/20/40/723672040.db2.gz LYBXLNJGZOKBDJ-GOEBONIOSA-N 1 1 354.903 3.022 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000769394722 723684159 /nfs/dbraw/zinc/68/41/59/723684159.db2.gz CHSULSFEUVUJHF-CQSZACIVSA-N 1 1 350.459 3.232 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000769394722 723684160 /nfs/dbraw/zinc/68/41/60/723684160.db2.gz CHSULSFEUVUJHF-CQSZACIVSA-N 1 1 350.459 3.232 20 10 FGCDMO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000771054270 723726707 /nfs/dbraw/zinc/72/67/07/723726707.db2.gz URUCOZYECHSIJV-GWCFXTLKSA-N 1 1 364.795 3.325 20 10 FGCDMO O=C(C[C@H]1CCCCO1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771057412 723726844 /nfs/dbraw/zinc/72/68/44/723726844.db2.gz JCAIDQVUEAVHOD-IAGOWNOFSA-N 1 1 366.889 3.085 20 10 FGCDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cs1 ZINC000772856779 723769983 /nfs/dbraw/zinc/76/99/83/723769983.db2.gz IDWFDHFVXQFVAI-CZUORRHYSA-N 1 1 358.511 3.004 20 10 FGCDMO COc1c(O)c(C[NH2+]CCCSc2nccs2)ccc1[N+](=O)[O-] ZINC000775022722 723953075 /nfs/dbraw/zinc/95/30/75/723953075.db2.gz FUFDICGIXSUJIO-UHFFFAOYSA-N 1 1 355.441 3.038 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1O ZINC000775690778 724025975 /nfs/dbraw/zinc/02/59/75/724025975.db2.gz XFYLLLHCRKIWBL-WCQYABFASA-N 1 1 368.193 3.351 20 10 FGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3Cc4ccc(Cl)cc4C3)cc2)CC1 ZINC000800285837 724175517 /nfs/dbraw/zinc/17/55/17/724175517.db2.gz CYONPRZHUKOCED-HXUWFJFHSA-N 1 1 355.913 3.349 20 10 FGCDMO O=C(/C=C\c1ccccc1)NCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000800312529 724180427 /nfs/dbraw/zinc/18/04/27/724180427.db2.gz IDBUFLGNEKJERZ-YFHOEESVSA-N 1 1 362.832 3.494 20 10 FGCDMO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788366 725095551 /nfs/dbraw/zinc/09/55/51/725095551.db2.gz LZYLDKLXOYBGEN-XEZPLFJOSA-N 1 1 357.420 3.030 20 10 FGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788366 725095555 /nfs/dbraw/zinc/09/55/55/725095555.db2.gz LZYLDKLXOYBGEN-XEZPLFJOSA-N 1 1 357.420 3.030 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)c1O ZINC000809710470 725261286 /nfs/dbraw/zinc/26/12/86/725261286.db2.gz YXEVSCATMGTCEI-CQSZACIVSA-N 1 1 356.850 3.107 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)N(C)CC)c(O)c1 ZINC000809722596 725262727 /nfs/dbraw/zinc/26/27/27/725262727.db2.gz CWMPMJKLVYDNDA-INIZCTEOSA-N 1 1 350.459 3.234 20 10 FGCDMO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(Br)ccc3[O-])C2)CC1 ZINC000809755199 725265389 /nfs/dbraw/zinc/26/53/89/725265389.db2.gz HYLMSZRPTUZWEJ-CQSZACIVSA-N 1 1 353.304 3.318 20 10 FGCDMO C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3[O-])C2)CC1 ZINC000809755199 725265393 /nfs/dbraw/zinc/26/53/93/725265393.db2.gz HYLMSZRPTUZWEJ-CQSZACIVSA-N 1 1 353.304 3.318 20 10 FGCDMO C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(Br)c3[O-])C2)CC1 ZINC000809756601 725265696 /nfs/dbraw/zinc/26/56/96/725265696.db2.gz TWGQUVOGRHMVFO-AWEZNQCLSA-N 1 1 353.304 3.318 20 10 FGCDMO CC[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810237121 725298868 /nfs/dbraw/zinc/29/88/68/725298868.db2.gz PVYFVKYKUHEFOF-CYBMUJFWSA-N 1 1 355.364 3.048 20 10 FGCDMO OC[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000812782212 726811301 /nfs/dbraw/zinc/81/13/01/726811301.db2.gz RAJRUNNWBGVHQC-GOSISDBHSA-N 1 1 362.267 3.291 20 10 FGCDMO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2=O)cc1 ZINC000816591323 727178631 /nfs/dbraw/zinc/17/86/31/727178631.db2.gz BBCGFHYSPXMXKG-QGZVFWFLSA-N 1 1 362.832 3.384 20 10 FGCDMO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1(F)F ZINC000817549003 727263962 /nfs/dbraw/zinc/26/39/62/727263962.db2.gz GPMCEQSCNSFNQU-XJKSGUPXSA-N 1 1 358.816 3.172 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCCN1 ZINC000817899386 727287592 /nfs/dbraw/zinc/28/75/92/727287592.db2.gz LMLVUBMZWHOHQS-DAYGRLMNSA-N 1 1 353.457 3.377 20 10 FGCDMO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000818232138 727302754 /nfs/dbraw/zinc/30/27/54/727302754.db2.gz RVZMSDUDTVNBFF-QMMMGPOBSA-N 1 1 371.256 3.249 20 10 FGCDMO COc1cc(Br)cc(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)c1O ZINC000824445886 729339210 /nfs/dbraw/zinc/33/92/10/729339210.db2.gz NTFMLFRUGFEWIQ-LBPRGKRZSA-N 1 1 369.303 3.079 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124812 729372042 /nfs/dbraw/zinc/37/20/42/729372042.db2.gz YRMCJJWLQHVPRL-TVQRCGJNSA-N 1 1 368.193 3.208 20 10 FGCDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825129943 729372116 /nfs/dbraw/zinc/37/21/16/729372116.db2.gz IOBNMMSSNPPMDL-OXJNMPFZSA-N 1 1 360.523 3.356 20 10 FGCDMO CC[C@@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@@H](C)[S@]1=O ZINC000825885563 729398406 /nfs/dbraw/zinc/39/84/06/729398406.db2.gz HZLARNWKDUDHNN-VTPJWHAVSA-N 1 1 353.528 3.430 20 10 FGCDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@@H](C)[S@]1=O ZINC000825885563 729398407 /nfs/dbraw/zinc/39/84/07/729398407.db2.gz HZLARNWKDUDHNN-VTPJWHAVSA-N 1 1 353.528 3.430 20 10 FGCDMO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(Br)cc3[O-])C2)CC1 ZINC000825928544 729399818 /nfs/dbraw/zinc/39/98/18/729399818.db2.gz YMTIMAGTLNELGS-CQSZACIVSA-N 1 1 353.304 3.318 20 10 FGCDMO C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3[O-])C2)CC1 ZINC000825928544 729399821 /nfs/dbraw/zinc/39/98/21/729399821.db2.gz YMTIMAGTLNELGS-CQSZACIVSA-N 1 1 353.304 3.318 20 10 FGCDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3c(O)cccc3OC)C2)s1 ZINC000827941821 729437526 /nfs/dbraw/zinc/43/75/26/729437526.db2.gz ISBMLAJMOIGYHA-LBPRGKRZSA-N 1 1 362.451 3.024 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@](C)(O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828575885 729445350 /nfs/dbraw/zinc/44/53/50/729445350.db2.gz FQZVRQMKYQWCLC-LJQANCHMSA-N 1 1 361.873 3.172 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@](C)(O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828575885 729445351 /nfs/dbraw/zinc/44/53/51/729445351.db2.gz FQZVRQMKYQWCLC-LJQANCHMSA-N 1 1 361.873 3.172 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(F)cc(F)c1O ZINC000840881908 730187466 /nfs/dbraw/zinc/18/74/66/730187466.db2.gz LECXBFJWSGJEOL-HWPZZCPQSA-N 1 1 350.340 3.266 20 10 FGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000840946739 730195200 /nfs/dbraw/zinc/19/52/00/730195200.db2.gz NURIWAZGEZRFCX-NSHDSACASA-N 1 1 364.795 3.245 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000840946739 730195203 /nfs/dbraw/zinc/19/52/03/730195203.db2.gz NURIWAZGEZRFCX-NSHDSACASA-N 1 1 364.795 3.245 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1 ZINC000840963439 730198395 /nfs/dbraw/zinc/19/83/95/730198395.db2.gz NJPWHSNXSRNQET-CQSZACIVSA-N 1 1 368.246 3.468 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843386161 730612734 /nfs/dbraw/zinc/61/27/34/730612734.db2.gz IOBBJJSMGKCATR-CABCVRRESA-N 1 1 350.890 3.460 20 10 FGCDMO C[C@H](NC(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000845100587 730810109 /nfs/dbraw/zinc/81/01/09/730810109.db2.gz BJRBDEHRXGHWFU-UONOGXRCSA-N 1 1 365.905 3.498 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c1 ZINC000850355429 731347282 /nfs/dbraw/zinc/34/72/82/731347282.db2.gz IPBJFDSGLCRPIV-MTJIALIYSA-N 1 1 360.317 3.242 20 10 FGCDMO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cccc(Br)c1O ZINC000850391334 731351365 /nfs/dbraw/zinc/35/13/65/731351365.db2.gz MPUHKAYNBBBJFU-UHFFFAOYSA-N 1 1 350.260 3.446 20 10 FGCDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000852412965 731580856 /nfs/dbraw/zinc/58/08/56/731580856.db2.gz MNHROJKOLGSHSY-GFCCVEGCSA-N 1 1 360.285 3.371 20 10 FGCDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000852412965 731580860 /nfs/dbraw/zinc/58/08/60/731580860.db2.gz MNHROJKOLGSHSY-GFCCVEGCSA-N 1 1 360.285 3.371 20 10 FGCDMO O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000852700495 731622066 /nfs/dbraw/zinc/62/20/66/731622066.db2.gz GQILIRNRZXRJIC-QGZVFWFLSA-N 1 1 359.857 3.119 20 10 FGCDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H]2CCC[C@@H]21 ZINC000859951075 732421878 /nfs/dbraw/zinc/42/18/78/732421878.db2.gz JIYPGYZJDAPWEA-BFYDXBDKSA-N 1 1 365.857 3.412 20 10 FGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H]2CCC[C@@H]21 ZINC000859951075 732421880 /nfs/dbraw/zinc/42/18/80/732421880.db2.gz JIYPGYZJDAPWEA-BFYDXBDKSA-N 1 1 365.857 3.412 20 10 FGCDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3c(O)cccc3Br)C2)o1 ZINC000862237673 732793244 /nfs/dbraw/zinc/79/32/44/732793244.db2.gz CIWRYHQGCZWEHK-LLVKDONJSA-N 1 1 352.232 3.226 20 10 FGCDMO CN(C)c1cc(F)c(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1F ZINC000862302900 732806993 /nfs/dbraw/zinc/80/69/93/732806993.db2.gz FGFJDTAKTVOCDS-OSPHWJPCSA-N 1 1 352.450 3.240 20 10 FGCDMO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1F ZINC000862365468 732816658 /nfs/dbraw/zinc/81/66/58/732816658.db2.gz TWWYCYLACKIOPO-NWDGAFQWSA-N 1 1 352.347 3.024 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1F ZINC000862365468 732816661 /nfs/dbraw/zinc/81/66/61/732816661.db2.gz TWWYCYLACKIOPO-NWDGAFQWSA-N 1 1 352.347 3.024 20 10 FGCDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000866430951 733348017 /nfs/dbraw/zinc/34/80/17/733348017.db2.gz BKJNOGJTXNMFRM-LBPRGKRZSA-N 1 1 351.292 3.490 20 10 FGCDMO O=c1[nH]nc(Cl)cc1N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000872448373 735632597 /nfs/dbraw/zinc/63/25/97/735632597.db2.gz DCWWUHPTODNYFK-LBPRGKRZSA-N 1 1 369.252 3.271 20 10 FGCDMO CCS(=O)(=O)c1ccc2oc(C[NH2+][C@@H](C)c3ccccc3O)nc2c1 ZINC000879651285 737023482 /nfs/dbraw/zinc/02/34/82/737023482.db2.gz QAZGIPZYEAQLIA-LBPRGKRZSA-N 1 1 360.435 3.178 20 10 FGCDMO CC[C@@H]([NH2+]Cc1cn(C)nc1Br)c1ccc(N(C)C)cc1 ZINC000903188879 743819583 /nfs/dbraw/zinc/81/95/83/743819583.db2.gz ZZUNNXLLTZAGPR-OAHLLOKOSA-N 1 1 351.292 3.490 20 10 FGCDMO CC[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1O ZINC000903423821 743848252 /nfs/dbraw/zinc/84/82/52/743848252.db2.gz HAEQXLRGFWMIFR-KRWDZBQOSA-N 1 1 366.458 3.168 20 10 FGCDMO COc1cc(Br)cc(C[NH2+][C@H](c2ncccn2)C2CC2)c1O ZINC000922579698 758955136 /nfs/dbraw/zinc/95/51/36/758955136.db2.gz JZLKEGSPAZKWFV-AWEZNQCLSA-N 1 1 364.243 3.194 20 10 FGCDMO CC[N@@H+](CCCCCNC(C)=O)Cc1cc(Br)ccc1O ZINC000929755569 760450410 /nfs/dbraw/zinc/45/04/10/760450410.db2.gz PJRZTABSLVJSPN-UHFFFAOYSA-N 1 1 357.292 3.283 20 10 FGCDMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000052686787 494054212 /nfs/dbraw/zinc/05/42/12/494054212.db2.gz UIAANJMBFMPLJN-UHFFFAOYSA-N 1 1 355.486 3.087 20 10 FGCDMO Cc1n[nH]c(C)c1NC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000052686787 494054214 /nfs/dbraw/zinc/05/42/14/494054214.db2.gz UIAANJMBFMPLJN-UHFFFAOYSA-N 1 1 355.486 3.087 20 10 FGCDMO c1cc(N2CCCCC2)ccc1CN1CCC[N@H+](C2CCOCC2)CC1 ZINC000093513020 494897083 /nfs/dbraw/zinc/89/70/83/494897083.db2.gz KGXJDQIVHNUSTP-UHFFFAOYSA-N 1 1 357.542 3.364 20 10 FGCDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000128924335 495169299 /nfs/dbraw/zinc/16/92/99/495169299.db2.gz FOMGZHUIPWNMRF-GOSISDBHSA-N 1 1 368.525 3.221 20 10 FGCDMO Cc1cnc(C(C)(C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000183918527 496160106 /nfs/dbraw/zinc/16/01/06/496160106.db2.gz JAYROPZUCKBBJR-UHFFFAOYSA-N 1 1 360.527 3.001 20 10 FGCDMO C[C@H](N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000153679328 496543300 /nfs/dbraw/zinc/54/33/00/496543300.db2.gz OJNOUCGRGFIABG-HKUYNNGSSA-N 1 1 357.542 3.315 20 10 FGCDMO C[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000153679328 496543304 /nfs/dbraw/zinc/54/33/04/496543304.db2.gz OJNOUCGRGFIABG-HKUYNNGSSA-N 1 1 357.542 3.315 20 10 FGCDMO COCCOc1ccccc1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273302979 496768535 /nfs/dbraw/zinc/76/85/35/496768535.db2.gz BYKFVSDPGGCNQM-AWEZNQCLSA-N 1 1 359.422 3.055 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1 ZINC000273545367 496836234 /nfs/dbraw/zinc/83/62/34/496836234.db2.gz ZEVXGWFSJJTPIE-CYBMUJFWSA-N 1 1 357.406 3.191 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278448902 497117952 /nfs/dbraw/zinc/11/79/52/497117952.db2.gz XNOLMOOQXTYTMF-LKFCYVNXSA-N 1 1 353.768 3.189 20 10 FGCDMO COc1c([O-])c(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278563375 497154351 /nfs/dbraw/zinc/15/43/51/497154351.db2.gz BOPVGCNNVGCRDU-CQSZACIVSA-N 1 1 351.447 3.053 20 10 FGCDMO COc1c(O)c(C[NH2+]CCCn2c(C)nc3ccccc32)ccc1[N+](=O)[O-] ZINC000278931244 497271978 /nfs/dbraw/zinc/27/19/78/497271978.db2.gz WIUGUVYIHHZGQG-UHFFFAOYSA-N 1 1 370.409 3.147 20 10 FGCDMO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000275827425 497442124 /nfs/dbraw/zinc/44/21/24/497442124.db2.gz HHFMNFAIKWKLEW-FMKPAKJESA-N 1 1 358.461 3.389 20 10 FGCDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000279468696 497447635 /nfs/dbraw/zinc/44/76/35/497447635.db2.gz POTIRJLSSURARR-STQMWFEESA-N 1 1 369.303 3.234 20 10 FGCDMO O=[N+]([O-])c1cccnc1N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000301165852 497980698 /nfs/dbraw/zinc/98/06/98/497980698.db2.gz DPHUPLLOAKGWBF-AWEZNQCLSA-N 1 1 362.817 3.425 20 10 FGCDMO CCOc1cccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1O ZINC000292872876 498178018 /nfs/dbraw/zinc/17/80/18/498178018.db2.gz WQSRDQDKOUBMEI-UHFFFAOYSA-N 1 1 358.413 3.194 20 10 FGCDMO CC[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1O ZINC000285973403 498257098 /nfs/dbraw/zinc/25/70/98/498257098.db2.gz HFZJKDNIAXWOKZ-YVEFUNNKSA-N 1 1 366.458 3.241 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](c3ncc4n3CCCC4)C1)OCO2 ZINC000281960440 498334272 /nfs/dbraw/zinc/33/42/72/498334272.db2.gz QSUVCOKOOWROCH-AWEZNQCLSA-N 1 1 355.438 3.033 20 10 FGCDMO C[N@H+]1CC[C@H](CNC(=O)Cc2ccc(N)cc2)[C@H]1c1cccc(Cl)c1 ZINC000366332266 498877692 /nfs/dbraw/zinc/87/76/92/498877692.db2.gz YWWBJEAIWLFANX-OXQOHEQNSA-N 1 1 357.885 3.274 20 10 FGCDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295154413 498926933 /nfs/dbraw/zinc/92/69/33/498926933.db2.gz FUBXSGKPDWUQQG-IBGZPJMESA-N 1 1 373.541 3.183 20 10 FGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)[S@@]1=O ZINC000295163483 498930209 /nfs/dbraw/zinc/93/02/09/498930209.db2.gz HHWSSXYDWVEYGU-YNSGVOSJSA-N 1 1 364.555 3.033 20 10 FGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)[S@@]1=O ZINC000295163483 498930214 /nfs/dbraw/zinc/93/02/14/498930214.db2.gz HHWSSXYDWVEYGU-YNSGVOSJSA-N 1 1 364.555 3.033 20 10 FGCDMO C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000295176484 498934066 /nfs/dbraw/zinc/93/40/66/498934066.db2.gz MCPAAGXYKMYDIX-SFHVURJKSA-N 1 1 372.582 3.110 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[NH2+]CCCN2CCN(C)CC2)cc1 ZINC000295535922 499045537 /nfs/dbraw/zinc/04/55/37/499045537.db2.gz XBMVPPOCAJDCDQ-UHFFFAOYSA-N 1 1 372.582 3.112 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@@H+](C)[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000367323146 499181133 /nfs/dbraw/zinc/18/11/33/499181133.db2.gz ZNWYBBAAVXRTIO-JKSUJKDBSA-N 1 1 356.470 3.161 20 10 FGCDMO COc1cc(O)c(C[NH2+][C@H](C)c2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000370110847 499182232 /nfs/dbraw/zinc/18/22/32/499182232.db2.gz INMPSOOKHLPNAO-LLVKDONJSA-N 1 1 373.384 3.449 20 10 FGCDMO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000370374042 499214291 /nfs/dbraw/zinc/21/42/91/499214291.db2.gz MAZPFJBJWBIUDA-NVXWUHKLSA-N 1 1 356.441 3.273 20 10 FGCDMO CN(C(=O)Cc1ccc(N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000370773615 499253246 /nfs/dbraw/zinc/25/32/46/499253246.db2.gz OYICPYXOXROVCV-CBQGHPETSA-N 1 1 363.505 3.465 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000368811408 499335274 /nfs/dbraw/zinc/33/52/74/499335274.db2.gz VWZJHMCVJKDZBN-INIZCTEOSA-N 1 1 354.450 3.310 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369519609 499412134 /nfs/dbraw/zinc/41/21/34/499412134.db2.gz BYLZMFWPJSXIML-KSSFIOAISA-N 1 1 359.495 3.288 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@H](c3ncc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000373203498 499457220 /nfs/dbraw/zinc/45/72/20/499457220.db2.gz GCISAABZYZXLHH-ZDUSSCGKSA-N 1 1 363.439 3.454 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@H](c3ncc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000373203498 499457221 /nfs/dbraw/zinc/45/72/21/499457221.db2.gz GCISAABZYZXLHH-ZDUSSCGKSA-N 1 1 363.439 3.454 20 10 FGCDMO CN(Cc1c(O)ccc(Cl)c1F)C1CC[NH+](C2CCOCC2)CC1 ZINC000375462857 499522095 /nfs/dbraw/zinc/52/20/95/499522095.db2.gz UWDCXCFACBWSRG-UHFFFAOYSA-N 1 1 356.869 3.260 20 10 FGCDMO C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1ccc(F)cc1O ZINC000376119929 499584514 /nfs/dbraw/zinc/58/45/14/499584514.db2.gz XINXCGQDCYMIPP-LLVKDONJSA-N 1 1 365.836 3.468 20 10 FGCDMO CCCCN(Cc1ccccc1O)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000377278749 499676193 /nfs/dbraw/zinc/67/61/93/499676193.db2.gz XHUQSCYQTLITFP-UHFFFAOYSA-N 1 1 356.470 3.437 20 10 FGCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000377310941 499678937 /nfs/dbraw/zinc/67/89/37/499678937.db2.gz NHEVGPRTRXYPCE-UHFFFAOYSA-N 1 1 369.513 3.406 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](C)C2CCN(CCc3ccncc3)CC2)cc1F ZINC000377925083 499748665 /nfs/dbraw/zinc/74/86/65/499748665.db2.gz UCMCSOMMRYPPGL-UHFFFAOYSA-N 1 1 370.516 3.426 20 10 FGCDMO CN(C)c1ccc(CN(C)C2CC[NH+](CCc3ccncc3)CC2)cc1F ZINC000377925083 499748667 /nfs/dbraw/zinc/74/86/67/499748667.db2.gz UCMCSOMMRYPPGL-UHFFFAOYSA-N 1 1 370.516 3.426 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOC(C)(C)C2)C1 ZINC000435540704 500990010 /nfs/dbraw/zinc/99/00/10/500990010.db2.gz CZXNAHWDKWCCJU-UHFFFAOYSA-N 1 1 369.509 3.045 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000473282223 502557735 /nfs/dbraw/zinc/55/77/35/502557735.db2.gz SOZCASLOHWKGNB-QYWGDWMGSA-N 1 1 371.525 3.237 20 10 FGCDMO Cc1ncc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)o1 ZINC000521565788 504757476 /nfs/dbraw/zinc/75/74/76/504757476.db2.gz MRQVYJYJWHYPGL-UHFFFAOYSA-N 1 1 366.465 3.021 20 10 FGCDMO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000359978479 534449264 /nfs/dbraw/zinc/44/92/64/534449264.db2.gz ZZZZRNXBYJFVRZ-SFHVURJKSA-N 1 1 364.449 3.469 20 10 FGCDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000092710361 700440060 /nfs/dbraw/zinc/44/00/60/700440060.db2.gz RIQIUYNYKFVAHG-CQSZACIVSA-N 1 1 369.303 3.283 20 10 FGCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000092710361 700440061 /nfs/dbraw/zinc/44/00/61/700440061.db2.gz RIQIUYNYKFVAHG-CQSZACIVSA-N 1 1 369.303 3.283 20 10 FGCDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093418960 700451855 /nfs/dbraw/zinc/45/18/55/700451855.db2.gz ZHXNABRTMBUZAF-LBPRGKRZSA-N 1 1 358.276 3.412 20 10 FGCDMO O=[S@@](CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000111233002 700546879 /nfs/dbraw/zinc/54/68/79/700546879.db2.gz PZPBUWBOCDPSGS-AVRWGWEMSA-N 1 1 359.491 3.181 20 10 FGCDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000123651294 700707988 /nfs/dbraw/zinc/70/79/88/700707988.db2.gz MAEBLNFXDZFGFK-JQWIXIFHSA-N 1 1 354.166 3.042 20 10 FGCDMO C[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[NH+]1CCSCC1 ZINC000130784600 700806248 /nfs/dbraw/zinc/80/62/48/700806248.db2.gz FYVBEJXWDNXJGD-QGZVFWFLSA-N 1 1 361.555 3.073 20 10 FGCDMO CCC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccccc1O ZINC000131539575 700816407 /nfs/dbraw/zinc/81/64/07/700816407.db2.gz NPSLNRVBSBGGTC-UHFFFAOYSA-N 1 1 362.495 3.055 20 10 FGCDMO O=C(C[C@@H]1CCCCO1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262134 704818243 /nfs/dbraw/zinc/81/82/43/704818243.db2.gz JCAIDQVUEAVHOD-IRXDYDNUSA-N 1 1 366.889 3.085 20 10 FGCDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000161932930 705286257 /nfs/dbraw/zinc/28/62/57/705286257.db2.gz OPZXCXGCBKIKJK-CQSZACIVSA-N 1 1 351.418 3.289 20 10 FGCDMO Cc1cc(C)c(O)c(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000164244297 705326758 /nfs/dbraw/zinc/32/67/58/705326758.db2.gz XXKSCLVNBGFEHR-UHFFFAOYSA-N 1 1 360.420 3.096 20 10 FGCDMO CCN(C[C@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1)CC(F)(F)F ZINC000164449889 705329247 /nfs/dbraw/zinc/32/92/47/705329247.db2.gz RYCNHGOUIBMIJT-CQSZACIVSA-N 1 1 360.420 3.415 20 10 FGCDMO COCCOC[C@H]1CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000164421019 705329454 /nfs/dbraw/zinc/32/94/54/705329454.db2.gz HNVNFPCSWSVINF-HNNXBMFYSA-N 1 1 351.487 3.183 20 10 FGCDMO CCOc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000179472242 705702965 /nfs/dbraw/zinc/70/29/65/705702965.db2.gz VDTIFJNOJFTYJY-OAHLLOKOSA-N 1 1 350.459 3.232 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(F)cc1O ZINC000185855285 712703665 /nfs/dbraw/zinc/70/36/65/712703665.db2.gz LZQODLQJFSESSO-ZYHUDNBSSA-N 1 1 350.340 3.266 20 10 FGCDMO Cc1cc(Br)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000224492470 713571884 /nfs/dbraw/zinc/57/18/84/713571884.db2.gz BNHFKMDTHIIPPE-BBRMVZONSA-N 1 1 353.304 3.379 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000756739518 722969405 /nfs/dbraw/zinc/96/94/05/722969405.db2.gz OBTPEMFHIWFRPX-QLJPJBMISA-N 1 1 367.804 3.356 20 10 FGCDMO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(C)cc(Br)c2O)C1(C)C ZINC000780593415 724482544 /nfs/dbraw/zinc/48/25/44/724482544.db2.gz FYDAXVJXXVOUNN-WMLDXEAASA-N 1 1 372.303 3.119 20 10 FGCDMO CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1O)[C@H](O)C(F)(F)F ZINC000781636801 724581620 /nfs/dbraw/zinc/58/16/20/724581620.db2.gz SCKGLJSFEWJXFP-PWSUYJOCSA-N 1 1 356.182 3.255 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000756779246 722969968 /nfs/dbraw/zinc/96/99/68/722969968.db2.gz RUSXQMBGTPWAEE-BMLIUANNSA-N 1 1 367.804 3.356 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2cc(F)c(F)c(F)c2)c1 ZINC000757637283 722977724 /nfs/dbraw/zinc/97/77/24/722977724.db2.gz HEYCKQUOQYORSU-SNVBAGLBSA-N 1 1 353.340 3.489 20 10 FGCDMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc(O)c1O ZINC000790462239 723142934 /nfs/dbraw/zinc/14/29/34/723142934.db2.gz LAZJNPMRIODAHM-INIZCTEOSA-N 1 1 360.841 3.318 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c(C(F)(F)F)c1 ZINC000792841569 723373424 /nfs/dbraw/zinc/37/34/24/723373424.db2.gz AYUHKJONLQULFA-HZPDHXFCSA-N 1 1 360.445 3.478 20 10 FGCDMO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2c(O)cccc2OC)sc1C ZINC000793236196 723414834 /nfs/dbraw/zinc/41/48/34/723414834.db2.gz ROMILJBAAXYZQN-ZDUSSCGKSA-N 1 1 362.451 3.289 20 10 FGCDMO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2c(O)cccc2OC)sc1C ZINC000793236196 723414838 /nfs/dbraw/zinc/41/48/38/723414838.db2.gz ROMILJBAAXYZQN-ZDUSSCGKSA-N 1 1 362.451 3.289 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000793365442 723430948 /nfs/dbraw/zinc/43/09/48/723430948.db2.gz LKMYAWCMNWAPCX-KRWDZBQOSA-N 1 1 370.287 3.233 20 10 FGCDMO C[NH+](C)Cc1cnc(/C=C2/SC(=S)N(c3cccnc3)C2=O)s1 ZINC000794697220 723541466 /nfs/dbraw/zinc/54/14/66/723541466.db2.gz XOFKKAIUWOHLNN-WUXMJOGZSA-N 1 1 362.505 3.006 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766584489 723582405 /nfs/dbraw/zinc/58/24/05/723582405.db2.gz UIIWHLSEZWYBAL-UKRRQHHQSA-N 1 1 360.889 3.108 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000770376630 723712326 /nfs/dbraw/zinc/71/23/26/723712326.db2.gz WIEOBQWLQOFDAF-CHWSQXEVSA-N 1 1 370.287 3.412 20 10 FGCDMO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000774351111 723884998 /nfs/dbraw/zinc/88/49/98/723884998.db2.gz BHLCKPRQQNPDNQ-UWVGGRQHSA-N 1 1 352.283 3.317 20 10 FGCDMO COc1c(O)c(C[N@@H+](C)CCOc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000774821659 723933151 /nfs/dbraw/zinc/93/31/51/723933151.db2.gz UNJGTQHRCSXHPM-UHFFFAOYSA-N 1 1 366.801 3.473 20 10 FGCDMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774973372 723946871 /nfs/dbraw/zinc/94/68/71/723946871.db2.gz AGJQZLUWGBOCQG-SNVBAGLBSA-N 1 1 350.346 3.308 20 10 FGCDMO COc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)c1O ZINC000776695928 724171476 /nfs/dbraw/zinc/17/14/76/724171476.db2.gz YJFOBWCTNKEXMC-UONOGXRCSA-N 1 1 350.459 3.231 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1O ZINC000785988833 724953340 /nfs/dbraw/zinc/95/33/40/724953340.db2.gz PDOKXGWWNAHMRC-COPLHBTASA-N 1 1 358.276 3.145 20 10 FGCDMO CC(C)[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)N1CCOCC1 ZINC000788508765 725068980 /nfs/dbraw/zinc/06/89/80/725068980.db2.gz VERPMHFXEAHIEF-CJNGLKHVSA-N 1 1 360.420 3.418 20 10 FGCDMO O=C(NCCC[NH+]1CCCCC1)NCc1cc(Cl)cc(Cl)c1O ZINC000806331950 725124907 /nfs/dbraw/zinc/12/49/07/725124907.db2.gz IJHNCXKHUYWNRV-UHFFFAOYSA-N 1 1 360.285 3.374 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1O ZINC000809720748 725262425 /nfs/dbraw/zinc/26/24/25/725262425.db2.gz MBIRVFSPQDRHTJ-MRXNPFEDSA-N 1 1 350.459 3.280 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000809756623 725265586 /nfs/dbraw/zinc/26/55/86/725265586.db2.gz GZXSIVGZFQHALQ-GFCCVEGCSA-N 1 1 350.260 3.186 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000809756623 725265588 /nfs/dbraw/zinc/26/55/88/725265588.db2.gz GZXSIVGZFQHALQ-GFCCVEGCSA-N 1 1 350.260 3.186 20 10 FGCDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000809777895 725267860 /nfs/dbraw/zinc/26/78/60/725267860.db2.gz ICBOHFQJKNLMRS-CQSZACIVSA-N 1 1 369.303 3.201 20 10 FGCDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccc(F)c3O)CC[C@@H]21 ZINC000814176464 726945162 /nfs/dbraw/zinc/94/51/62/726945162.db2.gz QEOLQHDMUCCVCN-CJNGLKHVSA-N 1 1 350.434 3.363 20 10 FGCDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3O)CC[C@@H]21 ZINC000814176464 726945164 /nfs/dbraw/zinc/94/51/64/726945164.db2.gz QEOLQHDMUCCVCN-CJNGLKHVSA-N 1 1 350.434 3.363 20 10 FGCDMO CS(=O)(=O)Cc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816545019 727173871 /nfs/dbraw/zinc/17/38/71/727173871.db2.gz ACAYQWYSUDKMJK-UHFFFAOYSA-N 1 1 357.834 3.019 20 10 FGCDMO Cc1cc(Br)cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000816642667 727184367 /nfs/dbraw/zinc/18/43/67/727184367.db2.gz HCWNNNCLPKLGKS-QGZVFWFLSA-N 1 1 353.304 3.381 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(OC(=O)N(C)C)CC2)c1 ZINC000816655533 727185941 /nfs/dbraw/zinc/18/59/41/727185941.db2.gz IJZVQOIXJADQQB-UHFFFAOYSA-N 1 1 371.275 3.126 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(C(F)(F)F)c1 ZINC000822503506 729183255 /nfs/dbraw/zinc/18/32/55/729183255.db2.gz HZWJNSOKUZBIRH-OAHLLOKOSA-N 1 1 353.392 3.200 20 10 FGCDMO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823476779 729283867 /nfs/dbraw/zinc/28/38/67/729283867.db2.gz BRXOPLXFVRHYKI-UHFFFAOYSA-N 1 1 366.552 3.251 20 10 FGCDMO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823476779 729283869 /nfs/dbraw/zinc/28/38/69/729283869.db2.gz BRXOPLXFVRHYKI-UHFFFAOYSA-N 1 1 366.552 3.251 20 10 FGCDMO Oc1cccc(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)c1 ZINC000824541469 729346222 /nfs/dbraw/zinc/34/62/22/729346222.db2.gz AFYTUWYAFMFWEC-UHFFFAOYSA-N 1 1 363.255 3.183 20 10 FGCDMO [O-]c1cc(Br)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000824556005 729346761 /nfs/dbraw/zinc/34/67/61/729346761.db2.gz KXALRFMYYJLKDJ-UHFFFAOYSA-N 1 1 353.304 3.463 20 10 FGCDMO Oc1cc(Br)ccc1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000824556005 729346762 /nfs/dbraw/zinc/34/67/62/729346762.db2.gz KXALRFMYYJLKDJ-UHFFFAOYSA-N 1 1 353.304 3.463 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000825887914 729398470 /nfs/dbraw/zinc/39/84/70/729398470.db2.gz XKGREWCNGBDSBG-ZDUSSCGKSA-N 1 1 368.193 3.434 20 10 FGCDMO COc1cc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000826096787 729405138 /nfs/dbraw/zinc/40/51/38/729405138.db2.gz DDPHCQKDAQCFAP-BDJLRTHQSA-N 1 1 361.404 3.443 20 10 FGCDMO CC[C@@H]1C[N@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C[C@H]1O ZINC000828554710 729445022 /nfs/dbraw/zinc/44/50/22/729445022.db2.gz HJEAMZJNHIPANW-RHSMWYFYSA-N 1 1 361.873 3.028 20 10 FGCDMO CC[C@@H]1C[N@@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C[C@H]1O ZINC000828554710 729445023 /nfs/dbraw/zinc/44/50/23/729445023.db2.gz HJEAMZJNHIPANW-RHSMWYFYSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2C[C@H](C)C[C@H](O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000832718831 729728631 /nfs/dbraw/zinc/72/86/31/729728631.db2.gz WNIAPDPJJBEFIT-WBMJQRKESA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2C[C@H](C)C[C@H](O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000832718831 729728633 /nfs/dbraw/zinc/72/86/33/729728633.db2.gz WNIAPDPJJBEFIT-WBMJQRKESA-N 1 1 361.873 3.028 20 10 FGCDMO COc1ccc(C[N@H+](CCO)Cc2c(O)cc(C)cc2Cl)c(OC)c1 ZINC000840915058 730190856 /nfs/dbraw/zinc/19/08/56/730190856.db2.gz JHIGDPBEGLQDHX-UHFFFAOYSA-N 1 1 365.857 3.366 20 10 FGCDMO COc1ccc(C[N@@H+](CCO)Cc2c(O)cc(C)cc2Cl)c(OC)c1 ZINC000840915058 730190858 /nfs/dbraw/zinc/19/08/58/730190858.db2.gz JHIGDPBEGLQDHX-UHFFFAOYSA-N 1 1 365.857 3.366 20 10 FGCDMO Cc1cc(O)c(CNCc2ccncc2OCCC[NH+](C)C)c(Cl)c1 ZINC000840946157 730194901 /nfs/dbraw/zinc/19/49/01/730194901.db2.gz HBADSPUTDHFGMF-UHFFFAOYSA-N 1 1 363.889 3.369 20 10 FGCDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CCn1cc(Br)cn1 ZINC000840946496 730195232 /nfs/dbraw/zinc/19/52/32/730195232.db2.gz LWPISFOEXCKOML-UHFFFAOYSA-N 1 1 351.292 3.152 20 10 FGCDMO CCOc1cccc(C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)c1O ZINC000840971847 730199171 /nfs/dbraw/zinc/19/91/71/730199171.db2.gz DBHHJOAGNSSAAC-UHFFFAOYSA-N 1 1 352.475 3.480 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000843125002 730588385 /nfs/dbraw/zinc/58/83/85/730588385.db2.gz KXVFDXRNXNSUDD-KBPBESRZSA-N 1 1 353.304 3.285 20 10 FGCDMO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843428613 730620002 /nfs/dbraw/zinc/62/00/02/730620002.db2.gz LCASGPWYDWUTCG-AWEZNQCLSA-N 1 1 362.832 3.323 20 10 FGCDMO O=C(NCc1ccccc1)[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843428613 730620004 /nfs/dbraw/zinc/62/00/04/730620004.db2.gz LCASGPWYDWUTCG-AWEZNQCLSA-N 1 1 362.832 3.323 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1[O-] ZINC000846227305 730938067 /nfs/dbraw/zinc/93/80/67/730938067.db2.gz NOOVJOBMSGDUJW-KBAYOESNSA-N 1 1 366.889 3.109 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1[O-] ZINC000846227305 730938068 /nfs/dbraw/zinc/93/80/68/730938068.db2.gz NOOVJOBMSGDUJW-KBAYOESNSA-N 1 1 366.889 3.109 20 10 FGCDMO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1O ZINC000848518246 731174143 /nfs/dbraw/zinc/17/41/43/731174143.db2.gz JJFSZBHPWNGKMK-VXGBXAGGSA-N 1 1 369.303 3.298 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1O ZINC000848518688 731174225 /nfs/dbraw/zinc/17/42/25/731174225.db2.gz MQRQJJCGPFYUKC-CQDKDKBSSA-N 1 1 369.303 3.441 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1O ZINC000848518688 731174227 /nfs/dbraw/zinc/17/42/27/731174227.db2.gz MQRQJJCGPFYUKC-CQDKDKBSSA-N 1 1 369.303 3.441 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1O ZINC000848518689 731174322 /nfs/dbraw/zinc/17/43/22/731174322.db2.gz MQRQJJCGPFYUKC-GLQYFDAESA-N 1 1 369.303 3.441 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1O ZINC000848518689 731174324 /nfs/dbraw/zinc/17/43/24/731174324.db2.gz MQRQJJCGPFYUKC-GLQYFDAESA-N 1 1 369.303 3.441 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(CC(N)=O)CCCCC2)c1 ZINC000850412704 731353746 /nfs/dbraw/zinc/35/37/46/731353746.db2.gz IWLOMNYKYWZMOL-UHFFFAOYSA-N 1 1 369.303 3.379 20 10 FGCDMO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ncnc32)c1O ZINC000850499772 731364790 /nfs/dbraw/zinc/36/47/90/731364790.db2.gz WZMTXAOKEHENHS-NRUUGDAUSA-N 1 1 351.248 3.411 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ncnc32)c1O ZINC000850499865 731364857 /nfs/dbraw/zinc/36/48/57/731364857.db2.gz ZEAVXPVHRLYPMS-HOTUBEGUSA-N 1 1 367.247 3.111 20 10 FGCDMO CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cc(Cl)ccc1[O-] ZINC000854231310 731806482 /nfs/dbraw/zinc/80/64/82/731806482.db2.gz JHCUWKYPWQVWOR-QGZVFWFLSA-N 1 1 367.921 3.077 20 10 FGCDMO Fc1cc(C[NH2+]Cc2ccncc2Cl)cc(F)c1N1CCOCC1 ZINC000858176266 732189023 /nfs/dbraw/zinc/18/90/23/732189023.db2.gz RYINAGSRAKLIJI-UHFFFAOYSA-N 1 1 353.800 3.140 20 10 FGCDMO C[N@@H+]1CCCC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000858766071 732245437 /nfs/dbraw/zinc/24/54/37/732245437.db2.gz JJBQJUUAVZBYQI-LLVKDONJSA-N 1 1 360.285 3.230 20 10 FGCDMO C[N@H+]1CCCC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000858766071 732245439 /nfs/dbraw/zinc/24/54/39/732245439.db2.gz JJBQJUUAVZBYQI-LLVKDONJSA-N 1 1 360.285 3.230 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c1 ZINC000862432557 732834622 /nfs/dbraw/zinc/83/46/22/732834622.db2.gz IDCQOBPWEDSSKC-KRWDZBQOSA-N 1 1 366.255 3.166 20 10 FGCDMO CO[C@H]1C[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)Cc3cccnc3N2C1 ZINC000877687620 736705041 /nfs/dbraw/zinc/70/50/41/736705041.db2.gz KRCTUCJNMVVDAG-IRXDYDNUSA-N 1 1 359.857 3.050 20 10 FGCDMO Cn1nc(Br)nc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000894017670 742227377 /nfs/dbraw/zinc/22/73/77/742227377.db2.gz RHZDXRCGJWJGJE-UHFFFAOYSA-N 1 1 365.275 3.228 20 10 FGCDMO Cn1nc(Br)nc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000894017670 742227381 /nfs/dbraw/zinc/22/73/81/742227381.db2.gz RHZDXRCGJWJGJE-UHFFFAOYSA-N 1 1 365.275 3.228 20 10 FGCDMO Cn1cnc(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)c1 ZINC000898043247 742737322 /nfs/dbraw/zinc/73/73/22/742737322.db2.gz JMNKTIALVPWAGF-UHFFFAOYSA-N 1 1 363.303 3.463 20 10 FGCDMO Fc1cc(C[N@H+]2CC[C@H](Cc3nccs3)C2)ccc1N1CCOCC1 ZINC000898070868 742741619 /nfs/dbraw/zinc/74/16/19/742741619.db2.gz AMEJUQMDHOKARB-MRXNPFEDSA-N 1 1 361.486 3.183 20 10 FGCDMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000922389214 758910215 /nfs/dbraw/zinc/91/02/15/758910215.db2.gz SIGXTKAONBNISJ-AHCXZYCDSA-N 1 1 373.324 3.268 20 10 FGCDMO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1O ZINC000925775853 759534402 /nfs/dbraw/zinc/53/44/02/759534402.db2.gz HTJLFNHHNMJQGC-QWRGUYRKSA-N 1 1 363.246 3.359 20 10 FGCDMO CCS(=O)(=O)c1ccccc1CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000926911071 759846121 /nfs/dbraw/zinc/84/61/21/759846121.db2.gz MHZJFGJTIVWBFR-CYBMUJFWSA-N 1 1 351.443 3.218 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)c1O ZINC000934216316 761563962 /nfs/dbraw/zinc/56/39/62/761563962.db2.gz HMKLITHTNUARDM-FZKQIMNGSA-N 1 1 361.825 3.080 20 10 FGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000068973659 493902531 /nfs/dbraw/zinc/90/25/31/493902531.db2.gz LJDPPKDCQRZRGA-IBGZPJMESA-N 1 1 372.465 3.003 20 10 FGCDMO O=C(c1ccncc1)N1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000077441430 494083407 /nfs/dbraw/zinc/08/34/07/494083407.db2.gz LZCOHZBGHBLRKG-UHFFFAOYSA-N 1 1 361.445 3.289 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000079409693 494450247 /nfs/dbraw/zinc/45/02/47/494450247.db2.gz IZMPFEAFNLARDM-ZDUSSCGKSA-N 1 1 366.433 3.081 20 10 FGCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCCn1cc[nH+]c1C ZINC000074533593 494555202 /nfs/dbraw/zinc/55/52/02/494555202.db2.gz ZUDYNJJUJAYHGW-UHFFFAOYSA-N 1 1 357.502 3.269 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1O ZINC000092071669 494778652 /nfs/dbraw/zinc/77/86/52/494778652.db2.gz AOLMHJUHANJAMD-NSHDSACASA-N 1 1 366.259 3.266 20 10 FGCDMO COc1cc(NC(=O)C[N@H+](C)Cc2ccccc2O)c(OC)cc1Cl ZINC000109770547 494916206 /nfs/dbraw/zinc/91/62/06/494916206.db2.gz NUEYBKIFLPWOGZ-UHFFFAOYSA-N 1 1 364.829 3.133 20 10 FGCDMO COc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2O)c(OC)cc1Cl ZINC000109770547 494916211 /nfs/dbraw/zinc/91/62/11/494916211.db2.gz NUEYBKIFLPWOGZ-UHFFFAOYSA-N 1 1 364.829 3.133 20 10 FGCDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)N1CCN(C)CC1 ZINC000127586758 494966687 /nfs/dbraw/zinc/96/66/87/494966687.db2.gz KYHRXEISKRBGFQ-PMACEKPBSA-N 1 1 358.574 3.354 20 10 FGCDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)CN1CCN(C)CC1 ZINC000120783129 495457248 /nfs/dbraw/zinc/45/72/48/495457248.db2.gz WHQWEMFQEHENII-PMACEKPBSA-N 1 1 358.574 3.211 20 10 FGCDMO Cc1nc(C[NH+]2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)cs1 ZINC000170682367 495562208 /nfs/dbraw/zinc/56/22/08/495562208.db2.gz SHCVYPFRCTUAOH-UHFFFAOYSA-N 1 1 372.538 3.046 20 10 FGCDMO COc1cc(O)c(C[NH2+]C(C)(C)c2cn(-c3ccccc3)nn2)cc1OC ZINC000182646999 495648873 /nfs/dbraw/zinc/64/88/73/495648873.db2.gz LFUHUQXKBQLNEW-UHFFFAOYSA-N 1 1 368.437 3.015 20 10 FGCDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000182931871 495762675 /nfs/dbraw/zinc/76/26/75/495762675.db2.gz QSHXUPZAWDSVAB-IBGZPJMESA-N 1 1 368.477 3.319 20 10 FGCDMO Cc1ccc([C@@H](C)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c(O)c1 ZINC000186350126 495959341 /nfs/dbraw/zinc/95/93/41/495959341.db2.gz GSPGRLYGJDEFSI-DNVCBOLYSA-N 1 1 353.466 3.323 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCSC3(CCOCC3)C2)c1O ZINC000186830784 496171943 /nfs/dbraw/zinc/17/19/43/496171943.db2.gz XMWGUTNFDJIMAZ-UHFFFAOYSA-N 1 1 355.887 3.346 20 10 FGCDMO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2nnc3n2CCCC3)c1O ZINC000187546555 496485155 /nfs/dbraw/zinc/48/51/55/496485155.db2.gz JHNMXYZOXOBKTI-NSHDSACASA-N 1 1 365.275 3.242 20 10 FGCDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CCN1C ZINC000163393239 496508500 /nfs/dbraw/zinc/50/85/00/496508500.db2.gz JEYQGULNQZNRRK-GOEBONIOSA-N 1 1 371.447 3.114 20 10 FGCDMO C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@@H+]1C ZINC000163393239 496508506 /nfs/dbraw/zinc/50/85/06/496508506.db2.gz JEYQGULNQZNRRK-GOEBONIOSA-N 1 1 371.447 3.114 20 10 FGCDMO C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC[N@H+]1C ZINC000163393239 496508510 /nfs/dbraw/zinc/50/85/10/496508510.db2.gz JEYQGULNQZNRRK-GOEBONIOSA-N 1 1 371.447 3.114 20 10 FGCDMO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@](=O)C1 ZINC000277402642 496762267 /nfs/dbraw/zinc/76/22/67/496762267.db2.gz HWHQZOKIVIZJPY-LMKMVOKYSA-N 1 1 359.491 3.172 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@](=O)C1 ZINC000277402642 496762271 /nfs/dbraw/zinc/76/22/71/496762271.db2.gz HWHQZOKIVIZJPY-LMKMVOKYSA-N 1 1 359.491 3.172 20 10 FGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000273612118 496853740 /nfs/dbraw/zinc/85/37/40/496853740.db2.gz WGZSSRNUPPACGJ-STQMWFEESA-N 1 1 366.458 3.193 20 10 FGCDMO COc1cccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000271179119 497282517 /nfs/dbraw/zinc/28/25/17/497282517.db2.gz LDXBHMAVQHZSSK-HIFRSBDPSA-N 1 1 350.459 3.136 20 10 FGCDMO COc1cccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000271179120 497282931 /nfs/dbraw/zinc/28/29/31/497282931.db2.gz LDXBHMAVQHZSSK-UKRRQHHQSA-N 1 1 350.459 3.136 20 10 FGCDMO CC(=O)N1CC[NH+](Cc2cccc(NCc3c(O)cccc3Cl)c2)CC1 ZINC000275772757 497427756 /nfs/dbraw/zinc/42/77/56/497427756.db2.gz HECCSLWXGOEZIM-UHFFFAOYSA-N 1 1 373.884 3.322 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000295953217 497867050 /nfs/dbraw/zinc/86/70/50/497867050.db2.gz ITXWYSSWNXVRFV-SVMVAKDDSA-N 1 1 374.525 3.070 20 10 FGCDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC000301155764 497974688 /nfs/dbraw/zinc/97/46/88/497974688.db2.gz AALWTHSYWGJJPI-AWEZNQCLSA-N 1 1 362.817 3.425 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H]2CCCOc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000365322263 498404472 /nfs/dbraw/zinc/40/44/72/498404472.db2.gz JAVACOKOSWZXQQ-AWEZNQCLSA-N 1 1 362.357 3.452 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000294059520 498576478 /nfs/dbraw/zinc/57/64/78/498576478.db2.gz XPZQDQPBJJCTTD-IBGZPJMESA-N 1 1 372.421 3.303 20 10 FGCDMO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)c1nnc2n1CCCCC2 ZINC000317839170 498793415 /nfs/dbraw/zinc/79/34/15/498793415.db2.gz QVMYJXWZLYVEPZ-LLVKDONJSA-N 1 1 365.275 3.323 20 10 FGCDMO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(O)c1O ZINC000366305157 498866208 /nfs/dbraw/zinc/86/62/08/498866208.db2.gz PVLSRQZQIRHDAC-MSOLQXFVSA-N 1 1 366.461 3.000 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CCOc4cc(O)ccc4C3)cc2)CC1 ZINC000295309609 498974634 /nfs/dbraw/zinc/97/46/34/498974634.db2.gz NDMJNLMULCPLIX-UHFFFAOYSA-N 1 1 368.477 3.402 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCOc4cc(O)ccc4C3)cc2)CC1 ZINC000295309609 498974640 /nfs/dbraw/zinc/97/46/40/498974640.db2.gz NDMJNLMULCPLIX-UHFFFAOYSA-N 1 1 368.477 3.402 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598010 499151548 /nfs/dbraw/zinc/15/15/48/499151548.db2.gz FCUVBDYVKKRPEZ-TZMCWYRMSA-N 1 1 358.442 3.023 20 10 FGCDMO CN(C)c1ccc(C[NH2+][C@H]2CCS(=O)(=O)c3c(F)cccc32)cc1F ZINC000368376236 499290360 /nfs/dbraw/zinc/29/03/60/499290360.db2.gz BLKSPHWPOJUTII-INIZCTEOSA-N 1 1 366.433 3.039 20 10 FGCDMO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)CCN1C ZINC000371221115 499299661 /nfs/dbraw/zinc/29/96/61/499299661.db2.gz VQYQDWKOMNAVJL-PMPSAXMXSA-N 1 1 371.447 3.484 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)ccc21 ZINC000371534243 499338946 /nfs/dbraw/zinc/33/89/46/499338946.db2.gz NDDXUCTXOBSANR-LAUBAEHRSA-N 1 1 369.509 3.071 20 10 FGCDMO c1nn([C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c2ccccc12 ZINC000371581978 499344272 /nfs/dbraw/zinc/34/42/72/499344272.db2.gz SYXAQEJXYJVMEX-NRFANRHFSA-N 1 1 362.477 3.320 20 10 FGCDMO C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000375399278 499513858 /nfs/dbraw/zinc/51/38/58/499513858.db2.gz AOEMATFBWIGSRP-VSKRKVRLSA-N 1 1 358.526 3.429 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1O ZINC000375439899 499519398 /nfs/dbraw/zinc/51/93/98/499519398.db2.gz UMEKWWKQJPZDGP-LBPRGKRZSA-N 1 1 361.829 3.498 20 10 FGCDMO c1c2ccccc2nn1[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000378572550 499533155 /nfs/dbraw/zinc/53/31/55/499533155.db2.gz CJXPXIJJRFELHM-NRFANRHFSA-N 1 1 362.477 3.320 20 10 FGCDMO Cc1noc([C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C2CCOCC2)n1 ZINC000375891113 499565265 /nfs/dbraw/zinc/56/52/65/499565265.db2.gz MTIMVGSONGTZGX-HNNXBMFYSA-N 1 1 351.834 3.303 20 10 FGCDMO C[C@@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(N(C)C)cc1 ZINC000376194097 499590355 /nfs/dbraw/zinc/59/03/55/499590355.db2.gz GWQLJMNRTRISSS-TZMCWYRMSA-N 1 1 367.419 3.320 20 10 FGCDMO CN(C(=O)[C@H]1CC12CC[NH+](Cc1c(O)ccc(Cl)c1F)CC2)C1CC1 ZINC000377274462 499676020 /nfs/dbraw/zinc/67/60/20/499676020.db2.gz ZJUVJHHJFHYUDL-CQSZACIVSA-N 1 1 366.864 3.408 20 10 FGCDMO CC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(Br)ccc1O ZINC000377757154 499729211 /nfs/dbraw/zinc/72/92/11/499729211.db2.gz UHUOUBKDTVZDTL-WCQYABFASA-N 1 1 350.260 3.476 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](C)[C@H]2C)C1 ZINC000435911265 501045421 /nfs/dbraw/zinc/04/54/21/501045421.db2.gz KGCODUPZVHCSMQ-IAGOWNOFSA-N 1 1 369.509 3.044 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)ccc21 ZINC000467030185 502763805 /nfs/dbraw/zinc/76/38/05/502763805.db2.gz DFGFQUNFQVCQMN-VLIAUNLRSA-N 1 1 369.509 3.117 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000503398793 503400877 /nfs/dbraw/zinc/40/08/77/503400877.db2.gz WNCXHMHSUUFITI-SJPCQFCGSA-N 1 1 354.498 3.253 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000527813970 503956950 /nfs/dbraw/zinc/95/69/50/503956950.db2.gz XKLOMFYABUSZAP-UHFFFAOYSA-N 1 1 369.303 3.201 20 10 FGCDMO C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927696 604764651 /nfs/dbraw/zinc/76/46/51/604764651.db2.gz BNIQBXMZLBNFDT-BEFAXECRSA-N 1 1 354.450 3.160 20 10 FGCDMO C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927696 604764652 /nfs/dbraw/zinc/76/46/52/604764652.db2.gz BNIQBXMZLBNFDT-BEFAXECRSA-N 1 1 354.450 3.160 20 10 FGCDMO C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927696 604764655 /nfs/dbraw/zinc/76/46/55/604764655.db2.gz BNIQBXMZLBNFDT-BEFAXECRSA-N 1 1 354.450 3.160 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000069386408 695949477 /nfs/dbraw/zinc/94/94/77/695949477.db2.gz LKSYTMMGYYWUNQ-LJQANCHMSA-N 1 1 356.491 3.141 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)c1 ZINC000092754487 700441110 /nfs/dbraw/zinc/44/11/10/700441110.db2.gz JCQYCPFZSBGWJL-UHFFFAOYSA-N 1 1 350.459 3.091 20 10 FGCDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(Br)ccc2O)cc1 ZINC000093415238 700451585 /nfs/dbraw/zinc/45/15/85/700451585.db2.gz YCXFTRPKWUHMAK-MRXNPFEDSA-N 1 1 366.255 3.329 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1[O-] ZINC000093683521 700453023 /nfs/dbraw/zinc/45/30/23/700453023.db2.gz RWIMARARUGJGIA-CYBMUJFWSA-N 1 1 353.850 3.262 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1[O-] ZINC000093683521 700453025 /nfs/dbraw/zinc/45/30/25/700453025.db2.gz RWIMARARUGJGIA-CYBMUJFWSA-N 1 1 353.850 3.262 20 10 FGCDMO C[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1O ZINC000109771212 700536457 /nfs/dbraw/zinc/53/64/57/700536457.db2.gz AXTIQKYOMJSDMB-UHFFFAOYSA-N 1 1 354.328 3.361 20 10 FGCDMO C[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1O ZINC000109771212 700536459 /nfs/dbraw/zinc/53/64/59/700536459.db2.gz AXTIQKYOMJSDMB-UHFFFAOYSA-N 1 1 354.328 3.361 20 10 FGCDMO CCOC(=O)c1sc(NC(=O)C[N@H+](C)Cc2ccccc2O)cc1C ZINC000109772241 700536540 /nfs/dbraw/zinc/53/65/40/700536540.db2.gz IOZITHGDWMWGFJ-UHFFFAOYSA-N 1 1 362.451 3.009 20 10 FGCDMO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)Cc2ccccc2O)cc1C ZINC000109772241 700536544 /nfs/dbraw/zinc/53/65/44/700536544.db2.gz IOZITHGDWMWGFJ-UHFFFAOYSA-N 1 1 362.451 3.009 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000157075532 705142559 /nfs/dbraw/zinc/14/25/59/705142559.db2.gz JBFNIRILZGAIPI-HXUWFJFHSA-N 1 1 364.555 3.465 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000157075532 705142561 /nfs/dbraw/zinc/14/25/61/705142561.db2.gz JBFNIRILZGAIPI-HXUWFJFHSA-N 1 1 364.555 3.465 20 10 FGCDMO COc1cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000164528573 705329901 /nfs/dbraw/zinc/32/99/01/705329901.db2.gz OYRANZFXBFJDEH-DLBZAZTESA-N 1 1 351.512 3.405 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCCO[C@H]3CCC[C@@H]32)c1O ZINC000374254325 713908055 /nfs/dbraw/zinc/90/80/55/713908055.db2.gz LSJUCCYALWZEOL-KBPBESRZSA-N 1 1 356.260 3.307 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC000802655039 724398070 /nfs/dbraw/zinc/39/80/70/724398070.db2.gz PDDUCXOGBRADFM-IBGZPJMESA-N 1 1 350.459 3.138 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000769468221 723686509 /nfs/dbraw/zinc/68/65/09/723686509.db2.gz DDJJJEZKNZWFMY-SFHVURJKSA-N 1 1 352.544 3.180 20 10 FGCDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(O)c1 ZINC000780984773 724519024 /nfs/dbraw/zinc/51/90/24/724519024.db2.gz NVFZHDCKSYKBRZ-INIZCTEOSA-N 1 1 360.841 3.146 20 10 FGCDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000735487729 722516771 /nfs/dbraw/zinc/51/67/71/722516771.db2.gz XIGIXPXHGGXQLO-HNNXBMFYSA-N 1 1 362.817 3.425 20 10 FGCDMO CCCNC(=O)C[N@@H+](CCC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754727736 722944977 /nfs/dbraw/zinc/94/49/77/722944977.db2.gz OXFMSAKKJDXAMM-UHFFFAOYSA-N 1 1 350.503 3.437 20 10 FGCDMO COc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000754735844 722945103 /nfs/dbraw/zinc/94/51/03/722945103.db2.gz DOAURCHABDZCBG-HNNXBMFYSA-N 1 1 350.459 3.150 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cc(F)cc(F)c1O ZINC000756711151 722968950 /nfs/dbraw/zinc/96/89/50/722968950.db2.gz IRIPEAUXIBDRRW-ZUZCIYMTSA-N 1 1 350.340 3.266 20 10 FGCDMO COC1(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CCOCC1 ZINC000756761968 722969732 /nfs/dbraw/zinc/96/97/32/722969732.db2.gz SBFHQKOOAGCJMZ-JTQLQIEISA-N 1 1 362.239 3.140 20 10 FGCDMO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(Br)c(F)cc1O ZINC000756783753 722970078 /nfs/dbraw/zinc/97/00/78/722970078.db2.gz IRQIRHHXUDSJHD-UPONEAKYSA-N 1 1 360.145 3.258 20 10 FGCDMO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000760883213 723101121 /nfs/dbraw/zinc/10/11/21/723101121.db2.gz ARUJVUSEEUIHPY-ZDBHGNHJSA-N 1 1 362.239 3.138 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000790930641 723194935 /nfs/dbraw/zinc/19/49/35/723194935.db2.gz BILAHQHQAOTZTN-AHIWAGSCSA-N 1 1 370.287 3.231 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000790930641 723194937 /nfs/dbraw/zinc/19/49/37/723194937.db2.gz BILAHQHQAOTZTN-AHIWAGSCSA-N 1 1 370.287 3.231 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1F ZINC000790931311 723195223 /nfs/dbraw/zinc/19/52/23/723195223.db2.gz GKHXWNJENSFEKM-TWOQFEAHSA-N 1 1 350.478 3.440 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1F ZINC000790931311 723195227 /nfs/dbraw/zinc/19/52/27/723195227.db2.gz GKHXWNJENSFEKM-TWOQFEAHSA-N 1 1 350.478 3.440 20 10 FGCDMO CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764593844 723428294 /nfs/dbraw/zinc/42/82/94/723428294.db2.gz HQYFKLVUPWQWJU-NVXWUHKLSA-N 1 1 351.922 3.312 20 10 FGCDMO CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764593844 723428298 /nfs/dbraw/zinc/42/82/98/723428298.db2.gz HQYFKLVUPWQWJU-NVXWUHKLSA-N 1 1 351.922 3.312 20 10 FGCDMO COc1cc(Br)cc(CN2CCC[N@H+](C(C)C)CC2)c1O ZINC000768138699 723648027 /nfs/dbraw/zinc/64/80/27/723648027.db2.gz ROVXODMZCSRZRO-UHFFFAOYSA-N 1 1 357.292 3.079 20 10 FGCDMO COc1cc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)ccc1SC ZINC000768444924 723657753 /nfs/dbraw/zinc/65/77/53/723657753.db2.gz OJPICJSRGKPRDJ-MRXNPFEDSA-N 1 1 361.463 3.181 20 10 FGCDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc3c(cc1O)OC[C@@H]3O)CCC2 ZINC000768463780 723658479 /nfs/dbraw/zinc/65/84/79/723658479.db2.gz WWNCPDRSLGZRSK-HOCLYGCPSA-N 1 1 360.479 3.346 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000769234025 723680203 /nfs/dbraw/zinc/68/02/03/723680203.db2.gz XLROHGNIBWGGPF-CQSZACIVSA-N 1 1 350.459 3.232 20 10 FGCDMO COc1cccc(O)c1C[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769386524 723684010 /nfs/dbraw/zinc/68/40/10/723684010.db2.gz ASZXUEDNSIIEJD-ZIAGYGMSSA-N 1 1 350.459 3.231 20 10 FGCDMO COc1cccc(O)c1C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000769563240 723689786 /nfs/dbraw/zinc/68/97/86/723689786.db2.gz SKEYUZQIEOVEOU-UHFFFAOYSA-N 1 1 352.475 3.384 20 10 FGCDMO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1C ZINC000771052435 723726724 /nfs/dbraw/zinc/72/67/24/723726724.db2.gz FENOCFAIWJVTEO-INIZCTEOSA-N 1 1 361.873 3.087 20 10 FGCDMO C[C@H]1[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CC(=O)N1Cc1ccccc1 ZINC000798506058 723938776 /nfs/dbraw/zinc/93/87/76/723938776.db2.gz YZJUXXWKOBKGAZ-LRDDRELGSA-N 1 1 362.832 3.464 20 10 FGCDMO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1(CC)CC ZINC000775028630 723953737 /nfs/dbraw/zinc/95/37/37/723953737.db2.gz GJCRCJJWLLBVJV-CABCVRRESA-N 1 1 352.431 3.382 20 10 FGCDMO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000775190520 723970067 /nfs/dbraw/zinc/97/00/67/723970067.db2.gz ZUTXCLRRCDEWBU-ZDUSSCGKSA-N 1 1 350.260 3.268 20 10 FGCDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000775190520 723970069 /nfs/dbraw/zinc/97/00/69/723970069.db2.gz ZUTXCLRRCDEWBU-ZDUSSCGKSA-N 1 1 350.260 3.268 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)CC1(CC(=O)OC)CC1 ZINC000799303962 724004352 /nfs/dbraw/zinc/00/43/52/724004352.db2.gz PJOLSYQUFIVQAG-UHFFFAOYSA-N 1 1 356.260 3.320 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1O ZINC000775674826 724022204 /nfs/dbraw/zinc/02/22/04/724022204.db2.gz LDUWUYIPSXTBPN-OAHLLOKOSA-N 1 1 350.260 3.497 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@H](O)C[C@@H]3C)c2C)c1 ZINC000788276258 725054319 /nfs/dbraw/zinc/05/43/19/725054319.db2.gz USEYPLDNCNKATF-SUMWQHHRSA-N 1 1 358.507 3.454 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3C[C@H](O)C[C@@H]3C)c2C)c1 ZINC000788276258 725054320 /nfs/dbraw/zinc/05/43/20/725054320.db2.gz USEYPLDNCNKATF-SUMWQHHRSA-N 1 1 358.507 3.454 20 10 FGCDMO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809713314 725261613 /nfs/dbraw/zinc/26/16/13/725261613.db2.gz HCRJXOIPWSUVRY-CYBMUJFWSA-N 1 1 355.276 3.035 20 10 FGCDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000809713314 725261614 /nfs/dbraw/zinc/26/16/14/725261614.db2.gz HCRJXOIPWSUVRY-CYBMUJFWSA-N 1 1 355.276 3.035 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2COC(=O)N(C)CC)c1 ZINC000809722854 725262616 /nfs/dbraw/zinc/26/26/16/725262616.db2.gz LCQZKSDMPIWPOI-INIZCTEOSA-N 1 1 350.459 3.234 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCCC[C@H]2COC(=O)N(C)CC)c1O ZINC000809723011 725262622 /nfs/dbraw/zinc/26/26/22/725262622.db2.gz OWOJYACQSHWVFH-INIZCTEOSA-N 1 1 350.459 3.234 20 10 FGCDMO COc1cc(Br)cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000809767805 725266604 /nfs/dbraw/zinc/26/66/04/725266604.db2.gz UOESEPKYJPPDGZ-WFASDCNBSA-N 1 1 369.303 3.079 20 10 FGCDMO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC000809779367 725268023 /nfs/dbraw/zinc/26/80/23/725268023.db2.gz KWISUATUXSXTLH-ZDUSSCGKSA-N 1 1 371.275 3.174 20 10 FGCDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000809779367 725268025 /nfs/dbraw/zinc/26/80/25/725268025.db2.gz KWISUATUXSXTLH-ZDUSSCGKSA-N 1 1 371.275 3.174 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+]CC3(SC)CCC3)cc2F)CC1 ZINC000811478488 725368237 /nfs/dbraw/zinc/36/82/37/725368237.db2.gz IZEWKFVMQFJUDK-UHFFFAOYSA-N 1 1 351.535 3.343 20 10 FGCDMO CN(C)c1[nH+]cc(CN2CCCc3cc(OC(F)(F)F)ccc32)n1C ZINC000813337686 726863028 /nfs/dbraw/zinc/86/30/28/726863028.db2.gz UIPLSQGBAFFJJJ-UHFFFAOYSA-N 1 1 354.376 3.338 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1 ZINC000814170647 726944303 /nfs/dbraw/zinc/94/43/03/726944303.db2.gz BCMQDURSIQLLHY-SFHVURJKSA-N 1 1 352.544 3.322 20 10 FGCDMO CCc1nsc(N2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)CC2)n1 ZINC000815055946 727027728 /nfs/dbraw/zinc/02/77/28/727027728.db2.gz UUMDUSLHUBGBTC-UHFFFAOYSA-N 1 1 359.543 3.187 20 10 FGCDMO O=C(C[NH2+]Cc1cc(Cl)c(F)cc1O)Nc1ccc(F)c(F)c1F ZINC000816561013 727176111 /nfs/dbraw/zinc/17/61/11/727176111.db2.gz IVSNHIHKSLEDNM-UHFFFAOYSA-N 1 1 362.710 3.330 20 10 FGCDMO OC[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)Cc1ccc(F)c(F)c1 ZINC000816590445 727178101 /nfs/dbraw/zinc/17/81/01/727178101.db2.gz AEQBJTFGYVQSDT-NSHDSACASA-N 1 1 359.775 3.404 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000823442774 729281022 /nfs/dbraw/zinc/28/10/22/729281022.db2.gz IGKHBBZYLVMALS-IBGZPJMESA-N 1 1 360.523 3.358 20 10 FGCDMO COc1cc(Br)cc(CN2CC[N@H+](C3CC3)C[C@H](C)C2)c1O ZINC000824445885 729339154 /nfs/dbraw/zinc/33/91/54/729339154.db2.gz NTFMLFRUGFEWIQ-GFCCVEGCSA-N 1 1 369.303 3.079 20 10 FGCDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1)C(N)=O ZINC000824608147 729350381 /nfs/dbraw/zinc/35/03/81/729350381.db2.gz BJRCGWFVHFUMCJ-GFCCVEGCSA-N 1 1 369.303 3.268 20 10 FGCDMO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824914118 729364846 /nfs/dbraw/zinc/36/48/46/729364846.db2.gz MAKGDPWRGGGGKF-LJQANCHMSA-N 1 1 350.528 3.076 20 10 FGCDMO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824914118 729364848 /nfs/dbraw/zinc/36/48/48/729364848.db2.gz MAKGDPWRGGGGKF-LJQANCHMSA-N 1 1 350.528 3.076 20 10 FGCDMO C[NH+]1CCC2(CCC[N@H+](Cc3ccc(Br)cc3[O-])C2)CC1 ZINC000825762749 729394435 /nfs/dbraw/zinc/39/44/35/729394435.db2.gz RQLSWBQFLMDKHV-UHFFFAOYSA-N 1 1 353.304 3.463 20 10 FGCDMO C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Br)cc3[O-])C2)CC1 ZINC000825762749 729394438 /nfs/dbraw/zinc/39/44/38/729394438.db2.gz RQLSWBQFLMDKHV-UHFFFAOYSA-N 1 1 353.304 3.463 20 10 FGCDMO OC[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825955368 729400863 /nfs/dbraw/zinc/40/08/63/729400863.db2.gz LGDQMQZNNBZXAN-SFHVURJKSA-N 1 1 362.267 3.291 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000826943128 729419554 /nfs/dbraw/zinc/41/95/54/729419554.db2.gz VCBRTCNLOCLGCM-GOSISDBHSA-N 1 1 360.885 3.210 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000826943128 729419555 /nfs/dbraw/zinc/41/95/55/729419555.db2.gz VCBRTCNLOCLGCM-GOSISDBHSA-N 1 1 360.885 3.210 20 10 FGCDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835052440 729853024 /nfs/dbraw/zinc/85/30/24/729853024.db2.gz OJTHGYHAFKEFRP-BDUNBXCCSA-N 1 1 356.388 3.193 20 10 FGCDMO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000835083210 729857712 /nfs/dbraw/zinc/85/77/12/729857712.db2.gz RTIAQFMORWKQTH-HNNXBMFYSA-N 1 1 370.877 3.161 20 10 FGCDMO [NH3+][C@@H]1CN(Cc2cccc(Br)c2O)C[C@H]1c1ccccc1F ZINC000841102969 730211817 /nfs/dbraw/zinc/21/18/17/730211817.db2.gz AVRQCRHLLISLJY-XJKSGUPXSA-N 1 1 365.246 3.221 20 10 FGCDMO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)c1O ZINC000846172168 730933535 /nfs/dbraw/zinc/93/35/35/730933535.db2.gz XBQOOROXVQYINT-NXEZZACHSA-N 1 1 352.232 3.365 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1[O-] ZINC000846227306 730938088 /nfs/dbraw/zinc/93/80/88/730938088.db2.gz NOOVJOBMSGDUJW-NXHRZFHOSA-N 1 1 366.889 3.109 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1[O-] ZINC000846227306 730938089 /nfs/dbraw/zinc/93/80/89/730938089.db2.gz NOOVJOBMSGDUJW-NXHRZFHOSA-N 1 1 366.889 3.109 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+](C[C@@H](C)O)C2CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000847107878 731022267 /nfs/dbraw/zinc/02/22/67/731022267.db2.gz WLFHWEDTOHLIAO-CYBMUJFWSA-N 1 1 361.873 3.170 20 10 FGCDMO Cc1cc(C(=O)C[N@H+](C[C@@H](C)O)C2CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000847107878 731022268 /nfs/dbraw/zinc/02/22/68/731022268.db2.gz WLFHWEDTOHLIAO-CYBMUJFWSA-N 1 1 361.873 3.170 20 10 FGCDMO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(Br)c1O ZINC000850411827 731353738 /nfs/dbraw/zinc/35/37/38/731353738.db2.gz LOEYUBIBBHGUNR-MLGOLLRUSA-N 1 1 350.256 3.409 20 10 FGCDMO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000850497331 731364396 /nfs/dbraw/zinc/36/43/96/731364396.db2.gz UHFGGTMLCMNSPS-FHOATMSYSA-N 1 1 363.323 3.373 20 10 FGCDMO CCC[N@H+]1CC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000850557120 731372794 /nfs/dbraw/zinc/37/27/94/731372794.db2.gz UOWXDJJBHJCMKM-JKSUJKDBSA-N 1 1 351.922 3.312 20 10 FGCDMO CCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000850557120 731372800 /nfs/dbraw/zinc/37/28/00/731372800.db2.gz UOWXDJJBHJCMKM-JKSUJKDBSA-N 1 1 351.922 3.312 20 10 FGCDMO [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093280 731664314 /nfs/dbraw/zinc/66/43/14/731664314.db2.gz HRCAEFFAKLTCKF-CQSZACIVSA-N 1 1 353.304 3.366 20 10 FGCDMO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1 ZINC000857057939 732098251 /nfs/dbraw/zinc/09/82/51/732098251.db2.gz HFJXNMRBYMWKPY-XJDXJNMNSA-N 1 1 356.491 3.025 20 10 FGCDMO CO[C@@H](CC(C)C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000857471840 732133092 /nfs/dbraw/zinc/13/30/92/732133092.db2.gz CCDSSWCJFMKGIR-WMZOPIPTSA-N 1 1 368.905 3.187 20 10 FGCDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3c(O)cccc3Br)C2)n1 ZINC000862227411 732790000 /nfs/dbraw/zinc/79/00/00/732790000.db2.gz OHZVPWYXPUVJBI-LLVKDONJSA-N 1 1 352.232 3.226 20 10 FGCDMO OCCOC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCC(F)(F)CC1 ZINC000862478226 732839333 /nfs/dbraw/zinc/83/93/33/732839333.db2.gz TUMPAQGEAHRHIY-UHFFFAOYSA-N 1 1 367.795 3.231 20 10 FGCDMO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1[O-] ZINC000862525455 732842776 /nfs/dbraw/zinc/84/27/76/732842776.db2.gz BKWCQVHMLYHTKP-UHFFFAOYSA-N 1 1 358.866 3.019 20 10 FGCDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)n1 ZINC000877814982 736727241 /nfs/dbraw/zinc/72/72/41/736727241.db2.gz ZERHESCIXWURSZ-QGZVFWFLSA-N 1 1 357.523 3.402 20 10 FGCDMO Cc1csc(C[C@H]2CCC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)n1 ZINC000884472771 737666602 /nfs/dbraw/zinc/66/66/02/737666602.db2.gz HURJBAMQGHOBDN-CXAGYDPISA-N 1 1 360.479 3.038 20 10 FGCDMO Cn1cc(C[C@H]2CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)cn1 ZINC000894083044 742236346 /nfs/dbraw/zinc/23/63/46/742236346.db2.gz AWXLWLQRBMXBDB-LLVKDONJSA-N 1 1 368.250 3.092 20 10 FGCDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)cn1 ZINC000894083044 742236348 /nfs/dbraw/zinc/23/63/48/742236348.db2.gz AWXLWLQRBMXBDB-LLVKDONJSA-N 1 1 368.250 3.092 20 10 FGCDMO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000895607102 742432684 /nfs/dbraw/zinc/43/26/84/742432684.db2.gz LCCDSJGZUZWAEK-NSYGIPOTSA-N 1 1 367.474 3.251 20 10 FGCDMO CCOC(=O)C1([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)CCOCC1 ZINC000897740825 742709184 /nfs/dbraw/zinc/70/91/84/742709184.db2.gz HWBCBHMLQMYLOE-NSHDSACASA-N 1 1 359.825 3.023 20 10 FGCDMO C[C@H]1C[C@H]([NH2+]Cc2ncc(Br)cn2)c2c1c(F)ccc2O ZINC000903321073 743837121 /nfs/dbraw/zinc/83/71/21/743837121.db2.gz WUNWCNFOMLJWPX-KWQFWETISA-N 1 1 352.207 3.422 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCc2ncc(Br)n2C1)c1c(O)cccc1F ZINC000903477522 743854584 /nfs/dbraw/zinc/85/45/84/743854584.db2.gz AMCVFXYNABVTCN-NXEZZACHSA-N 1 1 354.223 3.156 20 10 FGCDMO COc1cc(Br)cc(C[NH2+][C@@H](c2ncccn2)C2CC2)c1O ZINC000922579699 758954873 /nfs/dbraw/zinc/95/48/73/758954873.db2.gz JZLKEGSPAZKWFV-CQSZACIVSA-N 1 1 364.243 3.194 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2cc(C3CC3)nn2C)c1 ZINC000922948754 759035237 /nfs/dbraw/zinc/03/52/37/759035237.db2.gz VDLDTDMHKVZAQW-UHFFFAOYSA-N 1 1 350.260 3.364 20 10 FGCDMO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000927040396 759881169 /nfs/dbraw/zinc/88/11/69/759881169.db2.gz UVKFRUQEZVDMGG-YEJSDXFRSA-N 1 1 363.401 3.170 20 10 FGCDMO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2cccc(OC)c2O)cc1 ZINC000091977177 494739884 /nfs/dbraw/zinc/73/98/84/494739884.db2.gz DXHWGZPPCPMVCO-QGZVFWFLSA-N 1 1 356.422 3.013 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1O ZINC000092071670 494778063 /nfs/dbraw/zinc/77/80/63/494778063.db2.gz AOLMHJUHANJAMD-LLVKDONJSA-N 1 1 366.259 3.266 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(CO)c3)cc2F)CC1 ZINC000121740629 494849881 /nfs/dbraw/zinc/84/98/81/494849881.db2.gz XMNKNNDUKRHLJY-QGZVFWFLSA-N 1 1 371.500 3.311 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC000093505247 494896353 /nfs/dbraw/zinc/89/63/53/494896353.db2.gz NNFINZFPVUGZKE-RISCZKNCSA-N 1 1 356.260 3.164 20 10 FGCDMO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)N1CCN(C)CC1 ZINC000127367027 494934452 /nfs/dbraw/zinc/93/44/52/494934452.db2.gz WJTBLYVPHOUPPN-MSOLQXFVSA-N 1 1 362.537 3.103 20 10 FGCDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NCc3c(O)cccc3Cl)cc2)C1 ZINC000127484561 494951777 /nfs/dbraw/zinc/95/17/77/494951777.db2.gz TVBHKSRFLOQGFZ-OAHLLOKOSA-N 1 1 373.884 3.355 20 10 FGCDMO C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185367414 495550705 /nfs/dbraw/zinc/55/07/05/495550705.db2.gz AEYRVGRWPIPREO-ZDUSSCGKSA-N 1 1 360.329 3.377 20 10 FGCDMO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000185476083 495592063 /nfs/dbraw/zinc/59/20/63/495592063.db2.gz BZWWOMRJMNOOGV-LBPRGKRZSA-N 1 1 354.385 3.165 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000179506348 495620245 /nfs/dbraw/zinc/62/02/45/495620245.db2.gz IDCJBKWNHNNBTM-ZDUSSCGKSA-N 1 1 358.417 3.109 20 10 FGCDMO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000159411718 495727922 /nfs/dbraw/zinc/72/79/22/495727922.db2.gz IUAUNSMSECMPJV-OAHLLOKOSA-N 1 1 354.429 3.161 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000179942057 495794380 /nfs/dbraw/zinc/79/43/80/495794380.db2.gz ODXYZNSQMVXZGM-AWEZNQCLSA-N 1 1 363.479 3.387 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000179942057 495794383 /nfs/dbraw/zinc/79/43/83/495794383.db2.gz ODXYZNSQMVXZGM-AWEZNQCLSA-N 1 1 363.479 3.387 20 10 FGCDMO c1ccc2c(c1)CO[C@@]21CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000186444816 496001433 /nfs/dbraw/zinc/00/14/33/496001433.db2.gz GPRSJCBRNHLAGT-JOCHJYFZSA-N 1 1 350.462 3.155 20 10 FGCDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180829933 496162372 /nfs/dbraw/zinc/16/23/72/496162372.db2.gz KYKDUGJKMJDOIZ-LHUXKHBRSA-N 1 1 366.461 3.092 20 10 FGCDMO C[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1cccs1 ZINC000181120525 496277893 /nfs/dbraw/zinc/27/78/93/496277893.db2.gz AOYXSHIQNKHFIF-QHAKIZEFSA-N 1 1 372.490 3.372 20 10 FGCDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(O)c1O ZINC000187156912 496317384 /nfs/dbraw/zinc/31/73/84/496317384.db2.gz XOPCEEBQOFKOJJ-KRWDZBQOSA-N 1 1 354.450 3.082 20 10 FGCDMO Cn1c2ccccc2[nH+]c1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000178808212 496579848 /nfs/dbraw/zinc/57/98/48/496579848.db2.gz SPJVEFOPDKVCNS-UHFFFAOYSA-N 1 1 354.429 3.286 20 10 FGCDMO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@](=O)C1 ZINC000277402640 496762286 /nfs/dbraw/zinc/76/22/86/496762286.db2.gz HWHQZOKIVIZJPY-CPJLOUKISA-N 1 1 359.491 3.172 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@](=O)C1 ZINC000277402640 496762293 /nfs/dbraw/zinc/76/22/93/496762293.db2.gz HWHQZOKIVIZJPY-CPJLOUKISA-N 1 1 359.491 3.172 20 10 FGCDMO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(N4CCOCC4)c(F)c3)cn2c1 ZINC000268831671 496797561 /nfs/dbraw/zinc/79/75/61/496797561.db2.gz CEXZPTGURPQZJY-INIZCTEOSA-N 1 1 368.456 3.469 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000273429282 496803691 /nfs/dbraw/zinc/80/36/91/496803691.db2.gz VFHFGXSYVDZXNF-KBPBESRZSA-N 1 1 366.421 3.171 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1 ZINC000273432623 496804978 /nfs/dbraw/zinc/80/49/78/496804978.db2.gz WDSMKMIMYMXBQJ-CQSZACIVSA-N 1 1 355.438 3.025 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278448903 497117354 /nfs/dbraw/zinc/11/73/54/497117354.db2.gz XNOLMOOQXTYTMF-OTYXRUKQSA-N 1 1 353.768 3.189 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000278504227 497137445 /nfs/dbraw/zinc/13/74/45/497137445.db2.gz OOJIHXXXXUUUFZ-DIFFPNOSSA-N 1 1 364.373 3.314 20 10 FGCDMO COc1c(O)c(C[NH2+]CCc2csc(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000278835658 497237888 /nfs/dbraw/zinc/23/78/88/497237888.db2.gz JDKFKWUQPHOORT-UHFFFAOYSA-N 1 1 351.428 3.221 20 10 FGCDMO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000266169375 497272673 /nfs/dbraw/zinc/27/26/73/497272673.db2.gz QQKMGVLVJOZMIN-NSHDSACASA-N 1 1 369.377 3.030 20 10 FGCDMO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272521902 497650775 /nfs/dbraw/zinc/65/07/75/497650775.db2.gz NSSYCBXLNKIFPB-HKUYNNGSSA-N 1 1 367.493 3.444 20 10 FGCDMO C[C@H]1CN(c2ccc(C[NH2+]Cc3ncc(Cl)n3C)cc2F)C[C@H](C)O1 ZINC000281604377 498209976 /nfs/dbraw/zinc/20/99/76/498209976.db2.gz GCLVLMNFAUPNRU-STQMWFEESA-N 1 1 366.868 3.116 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000293610928 498428077 /nfs/dbraw/zinc/42/80/77/498428077.db2.gz LTGRYPHPHZZLMC-UHFFFAOYSA-N 1 1 366.820 3.427 20 10 FGCDMO COc1ccc(N2CCC([N@H+](C)Cc3ncc([C@H](C)O)s3)CC2)cc1 ZINC000366005518 498728456 /nfs/dbraw/zinc/72/84/56/498728456.db2.gz OKBMOJUVJCKYQZ-AWEZNQCLSA-N 1 1 361.511 3.306 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3ncc([C@H](C)O)s3)CC2)cc1 ZINC000366005518 498728461 /nfs/dbraw/zinc/72/84/61/498728461.db2.gz OKBMOJUVJCKYQZ-AWEZNQCLSA-N 1 1 361.511 3.306 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCc4ccccc4[C@@H]3CO)cc2)CC1 ZINC000294922333 498849771 /nfs/dbraw/zinc/84/97/71/498849771.db2.gz JZWSKGBHZHSMOD-QHCPKHFHSA-N 1 1 366.505 3.394 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(F)cc1O ZINC000363851153 499024764 /nfs/dbraw/zinc/02/47/64/499024764.db2.gz HWHJCFMBFNLAHN-IUODEOHRSA-N 1 1 360.433 3.107 20 10 FGCDMO COc1cc(O)c(C[N@@H+]2Cc3ccccc3[C@@H](n3cccn3)C2)cc1OC ZINC000371357961 499314895 /nfs/dbraw/zinc/31/48/95/499314895.db2.gz UKKOORPVHKMHMW-SFHVURJKSA-N 1 1 365.433 3.211 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1O ZINC000368834154 499337557 /nfs/dbraw/zinc/33/75/57/499337557.db2.gz LLCBBMXRBPMTRF-MRXNPFEDSA-N 1 1 362.401 3.130 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1O ZINC000368834154 499337558 /nfs/dbraw/zinc/33/75/58/499337558.db2.gz LLCBBMXRBPMTRF-MRXNPFEDSA-N 1 1 362.401 3.130 20 10 FGCDMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(O)c1O ZINC000378573181 499533047 /nfs/dbraw/zinc/53/30/47/499533047.db2.gz RAMUQPFRXAZIMP-APWZRJJASA-N 1 1 368.477 3.389 20 10 FGCDMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(O)c1O ZINC000378573201 499533090 /nfs/dbraw/zinc/53/30/90/499533090.db2.gz RAMUQPFRXAZIMP-LPHOPBHVSA-N 1 1 368.477 3.389 20 10 FGCDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000377225377 499672046 /nfs/dbraw/zinc/67/20/46/499672046.db2.gz QEBKIJKSVQPYCH-FQEVSTJZSA-N 1 1 354.498 3.467 20 10 FGCDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000377225377 499672047 /nfs/dbraw/zinc/67/20/47/499672047.db2.gz QEBKIJKSVQPYCH-FQEVSTJZSA-N 1 1 354.498 3.467 20 10 FGCDMO COCCCCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000416136771 499954054 /nfs/dbraw/zinc/95/40/54/499954054.db2.gz WTGJJACEWJDNJA-UHFFFAOYSA-N 1 1 371.525 3.293 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000471733896 502123278 /nfs/dbraw/zinc/12/32/78/502123278.db2.gz DCXJKWDSMRRGAF-HOTGVXAUSA-N 1 1 356.514 3.406 20 10 FGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1c(C)c2ccccc2n1C ZINC000472236809 502280797 /nfs/dbraw/zinc/28/07/97/502280797.db2.gz CGSJEWXTUOYYMR-SJORKVTESA-N 1 1 354.498 3.255 20 10 FGCDMO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000528151744 504093924 /nfs/dbraw/zinc/09/39/24/504093924.db2.gz UXRNKWCOILMJDV-ZBFHGGJFSA-N 1 1 361.486 3.168 20 10 FGCDMO Cc1nnc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)s1 ZINC000562434159 504820283 /nfs/dbraw/zinc/82/02/83/504820283.db2.gz 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CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(OCC)c1O ZINC000809725890 725263339 /nfs/dbraw/zinc/26/33/39/725263339.db2.gz FMQUZNBFFYYLLQ-MRXNPFEDSA-N 1 1 350.459 3.282 20 10 FGCDMO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000812780957 726810118 /nfs/dbraw/zinc/81/01/18/726810118.db2.gz BZUWISNADCGQTD-GOSISDBHSA-N 1 1 362.267 3.291 20 10 FGCDMO OC[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000812780957 726810120 /nfs/dbraw/zinc/81/01/20/726810120.db2.gz BZUWISNADCGQTD-GOSISDBHSA-N 1 1 362.267 3.291 20 10 FGCDMO CCN(C)c1ccc(C[N@@H+](C)CCn2cc(Br)cn2)cc1 ZINC000815119752 727040694 /nfs/dbraw/zinc/04/06/94/727040694.db2.gz GNURRHLPOXJUCR-UHFFFAOYSA-N 1 1 351.292 3.234 20 10 FGCDMO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1O ZINC000815625650 727087317 /nfs/dbraw/zinc/08/73/17/727087317.db2.gz JLVSAQRDMUHOAK-UWVGGRQHSA-N 1 1 351.390 3.027 20 10 FGCDMO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(C)(F)F ZINC000815835523 727101151 /nfs/dbraw/zinc/10/11/51/727101151.db2.gz WSRQOZRMMFJZCZ-FZMZJTMJSA-N 1 1 360.832 3.418 20 10 FGCDMO O=C1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCCN1Cc1ccccc1 ZINC000816558476 727175622 /nfs/dbraw/zinc/17/56/22/727175622.db2.gz AAVUOICJPMIBOT-QGZVFWFLSA-N 1 1 362.832 3.466 20 10 FGCDMO COC(=O)COc1ccc(C[N@H+](C)Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816572075 727177132 /nfs/dbraw/zinc/17/71/32/727177132.db2.gz ANWFGOZSDFMHRP-UHFFFAOYSA-N 1 1 367.804 3.369 20 10 FGCDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816572075 727177139 /nfs/dbraw/zinc/17/71/39/727177139.db2.gz ANWFGOZSDFMHRP-UHFFFAOYSA-N 1 1 367.804 3.369 20 10 FGCDMO O=C1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CN1c1ccccc1F ZINC000816617268 727181063 /nfs/dbraw/zinc/18/10/63/727181063.db2.gz SXGQZVUSYWDFPP-NSHDSACASA-N 1 1 352.768 3.219 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1 ZINC000816624669 727181666 /nfs/dbraw/zinc/18/16/66/727181666.db2.gz CLQPCPTVXHCXFW-INIZCTEOSA-N 1 1 364.283 3.499 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1 ZINC000816624669 727181669 /nfs/dbraw/zinc/18/16/69/727181669.db2.gz CLQPCPTVXHCXFW-INIZCTEOSA-N 1 1 364.283 3.499 20 10 FGCDMO CC(C)(CO)[C@H]([NH2+]Cc1cccc(Br)c1O)c1cccnc1 ZINC000816637772 727183074 /nfs/dbraw/zinc/18/30/74/727183074.db2.gz OCSAMGSJGMOHNQ-MRXNPFEDSA-N 1 1 365.271 3.399 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000822659008 729206152 /nfs/dbraw/zinc/20/61/52/729206152.db2.gz IRYZOOAPINQIIT-CQSZACIVSA-N 1 1 369.303 3.376 20 10 FGCDMO CN(C)C(=O)C1([NH2+]Cc2cccc(Br)c2O)CCCCC1 ZINC000824714289 729356193 /nfs/dbraw/zinc/35/61/93/729356193.db2.gz BBXTZJMIRWMGMC-UHFFFAOYSA-N 1 1 355.276 3.035 20 10 FGCDMO Oc1ccc(Br)cc1C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000824805099 729359686 /nfs/dbraw/zinc/35/96/86/729359686.db2.gz DZBLSYCJQOSZAA-UHFFFAOYSA-N 1 1 366.234 3.011 20 10 FGCDMO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000825955782 729400932 /nfs/dbraw/zinc/40/09/32/729400932.db2.gz RXINBBSPQBSXGA-CYBMUJFWSA-N 1 1 356.651 3.452 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000825955782 729400933 /nfs/dbraw/zinc/40/09/33/729400933.db2.gz RXINBBSPQBSXGA-CYBMUJFWSA-N 1 1 356.651 3.452 20 10 FGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)[C@@H](O)C(F)F ZINC000834875682 729840899 /nfs/dbraw/zinc/84/08/99/729840899.db2.gz RONWTAMGTJTUTQ-LTEOIEINSA-N 1 1 356.182 3.349 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]CC(C)(C)C2(O)CCOCC2)c1 ZINC000841890684 730283209 /nfs/dbraw/zinc/28/32/09/730283209.db2.gz PTEXWQINFRNTSE-UHFFFAOYSA-N 1 1 372.303 3.120 20 10 FGCDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)cc(Br)c2O)[C@@H]1SC ZINC000842768456 730541075 /nfs/dbraw/zinc/54/10/75/730541075.db2.gz WXRRIVYYJLRZAR-NFAWXSAZSA-N 1 1 360.317 3.462 20 10 FGCDMO C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)c1ccc(F)cc1O ZINC000842899096 730555071 /nfs/dbraw/zinc/55/50/71/730555071.db2.gz AFSVUEDWFQDTGN-ZDUSSCGKSA-N 1 1 353.434 3.320 20 10 FGCDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844880624 730784843 /nfs/dbraw/zinc/78/48/43/730784843.db2.gz AMUTUFHWVNMNTN-AWEZNQCLSA-N 1 1 353.894 3.357 20 10 FGCDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cc(Cl)ccc1O ZINC000844882447 730784882 /nfs/dbraw/zinc/78/48/82/730784882.db2.gz OQVPRVLCUQNEKY-AWEZNQCLSA-N 1 1 353.894 3.499 20 10 FGCDMO COc1cc(Cl)cc(C[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)c1O ZINC000849350238 731251493 /nfs/dbraw/zinc/25/14/93/731251493.db2.gz VIOYDNHRCMHLNU-IAGOWNOFSA-N 1 1 364.848 3.429 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2F)CC1 ZINC000850432435 731356490 /nfs/dbraw/zinc/35/64/90/731356490.db2.gz BTPMRVNBJVTRGK-UHFFFAOYSA-N 1 1 355.448 3.145 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2[C@@H](C)O)c(C)n1-c1ccc(Cl)cn1 ZINC000852559005 731600977 /nfs/dbraw/zinc/60/09/77/731600977.db2.gz NGKCDUYUGJFXNX-RHSMWYFYSA-N 1 1 361.873 3.170 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C)O)c(C)n1-c1ccc(Cl)cn1 ZINC000852559005 731600981 /nfs/dbraw/zinc/60/09/81/731600981.db2.gz NGKCDUYUGJFXNX-RHSMWYFYSA-N 1 1 361.873 3.170 20 10 FGCDMO CN(C)c1ccc(C[NH2+]Cc2ncc(Br)cc2F)cc1F ZINC000858116855 732182111 /nfs/dbraw/zinc/18/21/11/732182111.db2.gz QQHZJPXLLIEKFQ-UHFFFAOYSA-N 1 1 356.214 3.478 20 10 FGCDMO CC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C(=O)NCc1cccs1 ZINC000858182290 732189994 /nfs/dbraw/zinc/18/99/94/732189994.db2.gz NXBKQFJCILXOJB-MRXNPFEDSA-N 1 1 367.465 3.277 20 10 FGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC[C@@H](O)COCc1ccccc1 ZINC000858331873 732204407 /nfs/dbraw/zinc/20/44/07/732204407.db2.gz JJHBRVDNLNKORS-CQSZACIVSA-N 1 1 353.821 3.242 20 10 FGCDMO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1c(O)cccc1Br)C2 ZINC000862420785 732830761 /nfs/dbraw/zinc/83/07/61/732830761.db2.gz WCPJAYONWQUHDJ-UHFFFAOYSA-N 1 1 364.287 3.473 20 10 FGCDMO COc1cc(C)cc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1O ZINC000894089751 742237559 /nfs/dbraw/zinc/23/75/59/742237559.db2.gz WWIVAZZQXFUGLX-JKSUJKDBSA-N 1 1 363.479 3.095 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1O ZINC000894089751 742237563 /nfs/dbraw/zinc/23/75/63/742237563.db2.gz WWIVAZZQXFUGLX-JKSUJKDBSA-N 1 1 363.479 3.095 20 10 FGCDMO C[C@@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)c1c(O)cccc1F ZINC000903265270 743831960 /nfs/dbraw/zinc/83/19/60/743831960.db2.gz VIACXPPNIWYNKR-WHENESEISA-N 1 1 361.404 3.385 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(Cl)c(Cl)cc1O ZINC000903396424 743844563 /nfs/dbraw/zinc/84/45/63/743844563.db2.gz LVYBECZIJYQOLM-ZJUUUORDSA-N 1 1 369.252 3.124 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c1 ZINC000922874506 759019708 /nfs/dbraw/zinc/01/97/08/759019708.db2.gz YCMSQUGENAPZNK-DEZZGGKRSA-N 1 1 356.260 3.235 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2nc3c(s2)COCC3)c1 ZINC000922961678 759041330 /nfs/dbraw/zinc/04/13/30/759041330.db2.gz SBFFMWVURBDSFG-UHFFFAOYSA-N 1 1 369.284 3.282 20 10 FGCDMO N[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2 ZINC000925578114 759508329 /nfs/dbraw/zinc/50/83/29/759508329.db2.gz SHLVIADTHONWAC-SJORKVTESA-N 1 1 351.441 3.116 20 10 FGCDMO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000926954928 759858896 /nfs/dbraw/zinc/85/88/96/759858896.db2.gz IEUVEJGXRQZOLT-VIFPVBQESA-N 1 1 354.299 3.420 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000079409685 494450090 /nfs/dbraw/zinc/45/00/90/494450090.db2.gz IZMPFEAFNLARDM-CYBMUJFWSA-N 1 1 366.433 3.081 20 10 FGCDMO C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC000080105831 494597456 /nfs/dbraw/zinc/59/74/56/494597456.db2.gz GJYDNRUNRXAZFL-QFBILLFUSA-N 1 1 353.466 3.245 20 10 FGCDMO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC000080105840 494598085 /nfs/dbraw/zinc/59/80/85/494598085.db2.gz GJYDNRUNRXAZFL-LPHOPBHVSA-N 1 1 353.466 3.245 20 10 FGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1O ZINC000121305646 494693146 /nfs/dbraw/zinc/69/31/46/494693146.db2.gz YUDLHWLKJFELLL-UHFFFAOYSA-N 1 1 356.466 3.260 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(O)c1 ZINC000093134352 494831939 /nfs/dbraw/zinc/83/19/39/494831939.db2.gz FPQUDEMERFMSCX-INIZCTEOSA-N 1 1 356.470 3.098 20 10 FGCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580568295 505788315 /nfs/dbraw/zinc/78/83/15/505788315.db2.gz BXUNGDVTSKJWDA-GOSISDBHSA-N 1 1 365.477 3.000 20 10 FGCDMO COc1cc(O)c(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)cc1OC ZINC000179578260 495647988 /nfs/dbraw/zinc/64/79/88/495647988.db2.gz SGYSBWBURBNIIS-UHFFFAOYSA-N 1 1 358.438 3.097 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)cc1OC ZINC000179578260 495647997 /nfs/dbraw/zinc/64/79/97/495647997.db2.gz SGYSBWBURBNIIS-UHFFFAOYSA-N 1 1 358.438 3.097 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)c1 ZINC000179675344 495686444 /nfs/dbraw/zinc/68/64/44/495686444.db2.gz ZZXPZDIGKFJNNL-UHFFFAOYSA-N 1 1 354.450 3.057 20 10 FGCDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000155025175 495807796 /nfs/dbraw/zinc/80/77/96/495807796.db2.gz LDSVSWWZZPGXGD-WOJBJXKFSA-N 1 1 358.574 3.354 20 10 FGCDMO COc1cc(O)c(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cc1OC ZINC000180243279 495922393 /nfs/dbraw/zinc/92/23/93/495922393.db2.gz PIFQBWOKUKXONW-GOSISDBHSA-N 1 1 357.450 3.281 20 10 FGCDMO COc1cc(OC)cc([C@@H]([NH2+]Cc2cccc(C)c2O)c2nccn2C)c1 ZINC000181035879 496248016 /nfs/dbraw/zinc/24/80/16/496248016.db2.gz BXBZJOCYBRCJAR-LJQANCHMSA-N 1 1 367.449 3.331 20 10 FGCDMO Cn1c[nH+]c2cc(NCc3ccccc3OCC(=O)NCC3CC3)ccc21 ZINC000269461087 496953157 /nfs/dbraw/zinc/95/31/57/496953157.db2.gz MYNVUGAYDFCNJS-UHFFFAOYSA-N 1 1 364.449 3.090 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000278451311 497119206 /nfs/dbraw/zinc/11/92/06/497119206.db2.gz XYPALKOWWQCDAK-JLTOFOAXSA-N 1 1 374.437 3.028 20 10 FGCDMO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000278510740 497138394 /nfs/dbraw/zinc/13/83/94/497138394.db2.gz PTLUDGOKGHRVIT-ZBFHGGJFSA-N 1 1 352.431 3.382 20 10 FGCDMO COc1c(O)c(C[NH2+]C2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278926288 497269325 /nfs/dbraw/zinc/26/93/25/497269325.db2.gz VMSYUPADWJUPHO-UHFFFAOYSA-N 1 1 371.437 3.063 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccccc1O ZINC000267298847 497519046 /nfs/dbraw/zinc/51/90/46/497519046.db2.gz FFYCUUUYXPLCGF-QFBILLFUSA-N 1 1 353.466 3.102 20 10 FGCDMO CN(C)c1ccc(C[NH2+]Cc2nnc3n2CCCCC3)c(C(F)(F)F)c1 ZINC000279889835 497578494 /nfs/dbraw/zinc/57/84/94/497578494.db2.gz KRTSNEUDQFMNHB-UHFFFAOYSA-N 1 1 367.419 3.379 20 10 FGCDMO COc1cccc(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000272646227 497688947 /nfs/dbraw/zinc/68/89/47/497688947.db2.gz PAGHTWQVKRZXAP-KGLIPLIRSA-N 1 1 350.459 3.136 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000280365241 497731241 /nfs/dbraw/zinc/73/12/41/497731241.db2.gz DCPQWJJJXOMLMK-CYBMUJFWSA-N 1 1 370.287 3.233 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000280365241 497731247 /nfs/dbraw/zinc/73/12/47/497731247.db2.gz DCPQWJJJXOMLMK-CYBMUJFWSA-N 1 1 370.287 3.233 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1nnc2n1CCC2 ZINC000280368536 497732866 /nfs/dbraw/zinc/73/28/66/497732866.db2.gz SLSURPVFPDJUHY-LLVKDONJSA-N 1 1 353.392 3.160 20 10 FGCDMO Cc1ccc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280896362 497940653 /nfs/dbraw/zinc/94/06/53/497940653.db2.gz QOUZNEMWUZKFHG-JXFKEZNVSA-N 1 1 360.523 3.325 20 10 FGCDMO Cc1occc1C(=O)N1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000364471189 497973652 /nfs/dbraw/zinc/97/36/52/497973652.db2.gz FUNASWCQQBCEQY-UHFFFAOYSA-N 1 1 366.820 3.481 20 10 FGCDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc(OC)c1O ZINC000289188130 498051936 /nfs/dbraw/zinc/05/19/36/498051936.db2.gz BFRBBSSFXVYSMR-LJQANCHMSA-N 1 1 355.482 3.282 20 10 FGCDMO CN(C)c1ccc(CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)cc1 ZINC000297365654 498422766 /nfs/dbraw/zinc/42/27/66/498422766.db2.gz DGXPWQWMNWPGPS-XGSMCBPESA-N 1 1 356.514 3.052 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000290100356 498428425 /nfs/dbraw/zinc/42/84/25/498428425.db2.gz HPPOXYIZLWNZPU-AWEZNQCLSA-N 1 1 366.801 3.176 20 10 FGCDMO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000293708185 498462646 /nfs/dbraw/zinc/46/26/46/498462646.db2.gz UJFFOYSAYZJVBH-UHFFFAOYSA-N 1 1 357.834 3.019 20 10 FGCDMO Cc1cc(O)c(C[N@@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1C ZINC000294738374 498788260 /nfs/dbraw/zinc/78/82/60/498788260.db2.gz DTASUNCFKXILII-IBGZPJMESA-N 1 1 355.482 3.139 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000295432056 499016466 /nfs/dbraw/zinc/01/64/66/499016466.db2.gz TWAVTRYQJVVDPO-NSHDSACASA-N 1 1 350.825 3.102 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000295432056 499016471 /nfs/dbraw/zinc/01/64/71/499016471.db2.gz TWAVTRYQJVVDPO-NSHDSACASA-N 1 1 350.825 3.102 20 10 FGCDMO CN(C)c1ccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1F ZINC000372588735 499149803 /nfs/dbraw/zinc/14/98/03/499149803.db2.gz YWEWHVPREUIHIY-INIZCTEOSA-N 1 1 366.433 3.039 20 10 FGCDMO CCCOc1ccc(C[NH2+][C@H](c2nc(C)no2)C2CCOCC2)c(O)c1 ZINC000370158409 499189762 /nfs/dbraw/zinc/18/97/62/499189762.db2.gz CLHFEYQZNAVLCE-SFHVURJKSA-N 1 1 361.442 3.130 20 10 FGCDMO COCc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000367419122 499196708 /nfs/dbraw/zinc/19/67/08/499196708.db2.gz OAWKKETWRMIXMM-MRXNPFEDSA-N 1 1 358.461 3.208 20 10 FGCDMO CC[C@H](NCc1nnc2n1CCOC2)c1cc(Cl)cc(Cl)c1[O-] ZINC000367897012 499242910 /nfs/dbraw/zinc/24/29/10/499242910.db2.gz QGAJNCGLIHBMTH-LBPRGKRZSA-N 1 1 357.241 3.062 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000368965654 499351505 /nfs/dbraw/zinc/35/15/05/499351505.db2.gz LRKYYNYOPLLKET-CQSZACIVSA-N 1 1 360.479 3.371 20 10 FGCDMO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000369120571 499367671 /nfs/dbraw/zinc/36/76/71/499367671.db2.gz VQUJSMBWQNWRTQ-IRXDYDNUSA-N 1 1 362.493 3.098 20 10 FGCDMO CCOc1cccc(C[NH2+]Cc2nnc(-c3ccncc3F)s2)c1O ZINC000373475850 499472202 /nfs/dbraw/zinc/47/22/02/499472202.db2.gz SYBQLQBGYXDOOU-UHFFFAOYSA-N 1 1 360.414 3.133 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1F ZINC000375408678 499515288 /nfs/dbraw/zinc/51/52/88/499515288.db2.gz JZHGTFITBWKZEU-FBBABVLZSA-N 1 1 364.505 3.424 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)ccc1[N+](=O)[O-] ZINC000375528038 499528910 /nfs/dbraw/zinc/52/89/10/499528910.db2.gz HRQOHGUSDLXVQS-CLCXKQKWSA-N 1 1 364.442 3.215 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)ccc1[N+](=O)[O-] ZINC000375528038 499528912 /nfs/dbraw/zinc/52/89/12/499528912.db2.gz HRQOHGUSDLXVQS-CLCXKQKWSA-N 1 1 364.442 3.215 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621084 499711563 /nfs/dbraw/zinc/71/15/63/499711563.db2.gz GHXQSRBWTDSQNP-GDBMZVCRSA-N 1 1 374.485 3.140 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CCSCC2)C1 ZINC000435690036 501012572 /nfs/dbraw/zinc/01/25/72/501012572.db2.gz FQARVFZXILDVOK-UHFFFAOYSA-N 1 1 371.550 3.420 20 10 FGCDMO CSCCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435879677 501040843 /nfs/dbraw/zinc/04/08/43/501040843.db2.gz DUYCDHZUAHGARL-UHFFFAOYSA-N 1 1 359.539 3.277 20 10 FGCDMO COC1(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CCC1 ZINC000436050724 501063771 /nfs/dbraw/zinc/06/37/71/501063771.db2.gz OMDLJTQEWVCWCG-UHFFFAOYSA-N 1 1 369.509 3.093 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)ccc21 ZINC000457119254 501653808 /nfs/dbraw/zinc/65/38/08/501653808.db2.gz NIHTUGJAHOYJPR-IBGZPJMESA-N 1 1 371.525 3.459 20 10 FGCDMO CC[N@H+]1CCCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000490645228 503208802 /nfs/dbraw/zinc/20/88/02/503208802.db2.gz BFNCIZPATHZJHJ-UHFFFAOYSA-N 1 1 357.498 3.072 20 10 FGCDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000076067482 700222938 /nfs/dbraw/zinc/22/29/38/700222938.db2.gz MPQPSPHRNNPWPD-RBUKOAKNSA-N 1 1 363.571 3.317 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1[O-] ZINC000092066429 700431247 /nfs/dbraw/zinc/43/12/47/700431247.db2.gz HAPBBFPQEYGCNE-WBMJQRKESA-N 1 1 365.861 3.403 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1[O-] ZINC000092066429 700431249 /nfs/dbraw/zinc/43/12/49/700431249.db2.gz HAPBBFPQEYGCNE-WBMJQRKESA-N 1 1 365.861 3.403 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[O-] ZINC000092066429 700431252 /nfs/dbraw/zinc/43/12/52/700431252.db2.gz HAPBBFPQEYGCNE-WBMJQRKESA-N 1 1 365.861 3.403 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[O-] ZINC000092066429 700431256 /nfs/dbraw/zinc/43/12/56/700431256.db2.gz HAPBBFPQEYGCNE-WBMJQRKESA-N 1 1 365.861 3.403 20 10 FGCDMO Oc1c(Br)cccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000092662033 700439394 /nfs/dbraw/zinc/43/93/94/700439394.db2.gz SXHSQFWQLOTWOL-HNNXBMFYSA-N 1 1 370.287 3.315 20 10 FGCDMO CCC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000122357299 700688705 /nfs/dbraw/zinc/68/87/05/700688705.db2.gz ANDJIFOSIDYEQJ-HNNXBMFYSA-N 1 1 369.527 3.097 20 10 FGCDMO C[C@@H](C(=O)NCCCSc1nccs1)[N@@H+]1CCc2ccccc2C1 ZINC000134926263 704834085 /nfs/dbraw/zinc/83/40/85/704834085.db2.gz NVPVMRQSMNOQIL-AWEZNQCLSA-N 1 1 361.536 3.188 20 10 FGCDMO C[C@@H](C(=O)NCCCSc1nccs1)[N@H+]1CCc2ccccc2C1 ZINC000134926263 704834090 /nfs/dbraw/zinc/83/40/90/704834090.db2.gz NVPVMRQSMNOQIL-AWEZNQCLSA-N 1 1 361.536 3.188 20 10 FGCDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCCSc1nccs1 ZINC000154571259 705040107 /nfs/dbraw/zinc/04/01/07/705040107.db2.gz RVLVNPAFRDPHCI-CQSZACIVSA-N 1 1 356.561 3.141 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000179473174 705703023 /nfs/dbraw/zinc/70/30/23/705703023.db2.gz WGARQADOEPRJCH-HNNXBMFYSA-N 1 1 350.459 3.232 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164850 724397401 /nfs/dbraw/zinc/39/74/01/724397401.db2.gz ZVTUAEIFJMNFJZ-ZIAGYGMSSA-N 1 1 350.459 3.136 20 10 FGCDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)ccc1N1CCCCC1 ZINC000802658478 724398297 /nfs/dbraw/zinc/39/82/97/724398297.db2.gz DMOHOZRHMFJUGU-AWEZNQCLSA-N 1 1 355.385 3.399 20 10 FGCDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](OC(F)F)C2)ccc1N1CCCCC1 ZINC000802658478 724398301 /nfs/dbraw/zinc/39/83/01/724398301.db2.gz DMOHOZRHMFJUGU-AWEZNQCLSA-N 1 1 355.385 3.399 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000722409453 722420372 /nfs/dbraw/zinc/42/03/72/722420372.db2.gz ONVWYVOQXHVOPZ-GXSJLCMTSA-N 1 1 354.166 3.354 20 10 FGCDMO NC(=O)[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)Cc1ccccc1Cl ZINC000790990413 723202886 /nfs/dbraw/zinc/20/28/86/723202886.db2.gz NOINBVRLQUJXJC-LLVKDONJSA-N 1 1 371.239 3.272 20 10 FGCDMO C[N@@H+](CCC(=O)NCc1cccc(Br)c1O)C1CCCCC1 ZINC000791147306 723214427 /nfs/dbraw/zinc/21/44/27/723214427.db2.gz XTDPJIPVOMNEFB-UHFFFAOYSA-N 1 1 369.303 3.426 20 10 FGCDMO COC(=O)[C@H](C)[N@H+](Cc1cc(Br)cc(C)c1O)C1CCC1 ZINC000792185212 723319332 /nfs/dbraw/zinc/31/93/32/723319332.db2.gz JARKOZGUBXEIAN-NSHDSACASA-N 1 1 356.260 3.379 20 10 FGCDMO COC(=O)[C@H](C)[N@@H+](Cc1cc(Br)cc(C)c1O)C1CCC1 ZINC000792185212 723319335 /nfs/dbraw/zinc/31/93/35/723319335.db2.gz JARKOZGUBXEIAN-NSHDSACASA-N 1 1 356.260 3.379 20 10 FGCDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792826753 723371884 /nfs/dbraw/zinc/37/18/84/723371884.db2.gz KMEKYERWZXBGAW-NEPJUHHUSA-N 1 1 366.449 3.025 20 10 FGCDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792826753 723371888 /nfs/dbraw/zinc/37/18/88/723371888.db2.gz KMEKYERWZXBGAW-NEPJUHHUSA-N 1 1 366.449 3.025 20 10 FGCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000793363771 723430304 /nfs/dbraw/zinc/43/03/04/723430304.db2.gz WDLKISNBLRPKSY-DYVFJYSZSA-N 1 1 358.404 3.151 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@]2(CCOC2)O1 ZINC000793363771 723430308 /nfs/dbraw/zinc/43/03/08/723430308.db2.gz WDLKISNBLRPKSY-DYVFJYSZSA-N 1 1 358.404 3.151 20 10 FGCDMO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766165400 723559068 /nfs/dbraw/zinc/55/90/68/723559068.db2.gz HQAPOVXFWNLTIJ-JYJNAYRXSA-N 1 1 351.922 3.310 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766165400 723559070 /nfs/dbraw/zinc/55/90/70/723559070.db2.gz HQAPOVXFWNLTIJ-JYJNAYRXSA-N 1 1 351.922 3.310 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000767717681 723630988 /nfs/dbraw/zinc/63/09/88/723630988.db2.gz IFZKHYBXHVICDF-HNNXBMFYSA-N 1 1 354.219 3.425 20 10 FGCDMO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000769339249 723682890 /nfs/dbraw/zinc/68/28/90/723682890.db2.gz VGYKMCBCIGQYEN-HNNXBMFYSA-N 1 1 367.287 3.132 20 10 FGCDMO CC(C)CO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771060780 723726993 /nfs/dbraw/zinc/72/69/93/723726993.db2.gz YVCMMNUSCCRTAN-WMLDXEAASA-N 1 1 368.905 3.187 20 10 FGCDMO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(F)cc1O ZINC000774397133 723888949 /nfs/dbraw/zinc/88/89/49/723888949.db2.gz RCAVILXRHLFNTK-JQWIXIFHSA-N 1 1 357.347 3.450 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](C(F)(F)F)C3(CCC3)C1)[C@H](O)CO2 ZINC000800865016 724239570 /nfs/dbraw/zinc/23/95/70/724239570.db2.gz WRABIVJPRPWDEG-GDBMZVCRSA-N 1 1 357.372 3.373 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000787025224 725013686 /nfs/dbraw/zinc/01/36/86/725013686.db2.gz JHYOULTVEGHNEQ-DYZYQPBXSA-N 1 1 367.804 3.356 20 10 FGCDMO CC(=O)Nc1ccc(C[NH2+]Cc2cc(C)cc(Br)c2O)cn1 ZINC000788524771 725070388 /nfs/dbraw/zinc/07/03/88/725070388.db2.gz UILLTCCCUZUCGS-UHFFFAOYSA-N 1 1 364.243 3.106 20 10 FGCDMO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cccc(C(F)(F)F)c1O ZINC000788808831 725089113 /nfs/dbraw/zinc/08/91/13/725089113.db2.gz ZPDPDAMVERYAFB-JTQLQIEISA-N 1 1 351.390 3.029 20 10 FGCDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000809713988 725261842 /nfs/dbraw/zinc/26/18/42/725261842.db2.gz SRISHBHMZTUZIY-AWEZNQCLSA-N 1 1 355.276 3.035 20 10 FGCDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000809713945 725261971 /nfs/dbraw/zinc/26/19/71/725261971.db2.gz RNHCHEBFIKNBEF-HNNXBMFYSA-N 1 1 369.303 3.344 20 10 FGCDMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(OCC)cc1O ZINC000809725910 725263374 /nfs/dbraw/zinc/26/33/74/725263374.db2.gz GBMBAVWFJVUKTH-MRXNPFEDSA-N 1 1 350.459 3.282 20 10 FGCDMO COc1cccc(C[NH2+]Cc2cc(C)cc(Br)c2O)c1O ZINC000809739966 725264243 /nfs/dbraw/zinc/26/42/43/725264243.db2.gz IVZZTOQAOJZKON-UHFFFAOYSA-N 1 1 352.228 3.467 20 10 FGCDMO Cc1cc(Br)cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000809767855 725266780 /nfs/dbraw/zinc/26/67/80/725266780.db2.gz VXVKXVQCUKGNOA-CJNGLKHVSA-N 1 1 353.304 3.379 20 10 FGCDMO Cc1cc(Br)cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000809767855 725266781 /nfs/dbraw/zinc/26/67/81/725266781.db2.gz VXVKXVQCUKGNOA-CJNGLKHVSA-N 1 1 353.304 3.379 20 10 FGCDMO OC[C@]1(c2ccccc2)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000812780959 726810189 /nfs/dbraw/zinc/81/01/89/726810189.db2.gz BZUWISNADCGQTD-SFHVURJKSA-N 1 1 362.267 3.291 20 10 FGCDMO OC[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000812780959 726810191 /nfs/dbraw/zinc/81/01/91/726810191.db2.gz BZUWISNADCGQTD-SFHVURJKSA-N 1 1 362.267 3.291 20 10 FGCDMO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cccc(C(F)(F)F)c1O ZINC000815557861 727084041 /nfs/dbraw/zinc/08/40/41/727084041.db2.gz HTIQDOATAJGDRO-LLVKDONJSA-N 1 1 356.388 3.463 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000815615684 727086536 /nfs/dbraw/zinc/08/65/36/727086536.db2.gz VBFZHIGWLBEKTO-MNOVXSKESA-N 1 1 351.390 3.029 20 10 FGCDMO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817961351 727289674 /nfs/dbraw/zinc/28/96/74/727289674.db2.gz XOOSBMJBBSZJQI-YZVOILCLSA-N 1 1 351.922 3.345 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)CC(=O)N2CCCC2)cc1 ZINC000823390758 729275173 /nfs/dbraw/zinc/27/51/73/729275173.db2.gz JDKQXZJBHCYYCK-UHFFFAOYSA-N 1 1 357.523 3.439 20 10 FGCDMO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)cc(Br)c1O ZINC000824854266 729362397 /nfs/dbraw/zinc/36/23/97/729362397.db2.gz PRDARBGIEXZRDH-OCCSQVGLSA-N 1 1 356.260 3.285 20 10 FGCDMO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C[C@H]1n1ccnc1 ZINC000824928051 729365374 /nfs/dbraw/zinc/36/53/74/729365374.db2.gz TUZNZTWQMLHUMK-SWLSCSKDSA-N 1 1 350.260 3.434 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+](CCO)C2CCSCC2)c1 ZINC000825134379 729372451 /nfs/dbraw/zinc/37/24/51/729372451.db2.gz YUVQSEHWCLTSBW-UHFFFAOYSA-N 1 1 360.317 3.153 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+](CCO)C2CCSCC2)c1 ZINC000825134379 729372452 /nfs/dbraw/zinc/37/24/52/729372452.db2.gz YUVQSEHWCLTSBW-UHFFFAOYSA-N 1 1 360.317 3.153 20 10 FGCDMO CO[C@]1(CO)CCC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000826952824 729420026 /nfs/dbraw/zinc/42/00/26/729420026.db2.gz UOHODFXXVFWFTJ-HXUWFJFHSA-N 1 1 360.523 3.358 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c1O ZINC000827018494 729421719 /nfs/dbraw/zinc/42/17/19/729421719.db2.gz WIRJMHAIYGHBIA-IYBDPMFKSA-N 1 1 356.260 3.022 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000827377530 729429549 /nfs/dbraw/zinc/42/95/49/729429549.db2.gz ZXJSGMMASBVXOW-CZUORRHYSA-N 1 1 350.415 3.090 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000827377530 729429550 /nfs/dbraw/zinc/42/95/50/729429550.db2.gz ZXJSGMMASBVXOW-CZUORRHYSA-N 1 1 350.415 3.090 20 10 FGCDMO CC[C@H]1C[N@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C[C@H]1O ZINC000828554711 729445065 /nfs/dbraw/zinc/44/50/65/729445065.db2.gz HJEAMZJNHIPANW-WMLDXEAASA-N 1 1 361.873 3.028 20 10 FGCDMO CC[C@H]1C[N@@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C[C@H]1O ZINC000828554711 729445066 /nfs/dbraw/zinc/44/50/66/729445066.db2.gz HJEAMZJNHIPANW-WMLDXEAASA-N 1 1 361.873 3.028 20 10 FGCDMO CC[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)[C@H](O)C(F)F ZINC000834875680 729840927 /nfs/dbraw/zinc/84/09/27/729840927.db2.gz RONWTAMGTJTUTQ-HUABCPSTSA-N 1 1 356.182 3.349 20 10 FGCDMO COCCN(Cc1c(C)nn(C)c1C)Cc1c(O)ccc(Cl)c1F ZINC000835073342 729856357 /nfs/dbraw/zinc/85/63/57/729856357.db2.gz MRUKLZLCEBBCHL-UHFFFAOYSA-N 1 1 355.841 3.184 20 10 FGCDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)NCCc1ccccc1 ZINC000835073475 729856667 /nfs/dbraw/zinc/85/66/67/729856667.db2.gz QMVKZHSUJGDVJG-GFCCVEGCSA-N 1 1 350.821 3.022 20 10 FGCDMO C[C@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCCCO1 ZINC000837483481 730034421 /nfs/dbraw/zinc/03/44/21/730034421.db2.gz AVYSHEAFOKBLRD-QFBILLFUSA-N 1 1 366.889 3.085 20 10 FGCDMO COc1ccc(O)c(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)c1 ZINC000840959285 730197741 /nfs/dbraw/zinc/19/77/41/730197741.db2.gz QLADINMTINVYAV-KRWDZBQOSA-N 1 1 366.255 3.329 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+]Cc2ccccc2S(C)(=O)=O)cc1F ZINC000840962783 730198222 /nfs/dbraw/zinc/19/82/22/730198222.db2.gz UWEWYLNIZJUFGW-UHFFFAOYSA-N 1 1 364.486 3.365 20 10 FGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2cccc(OC(F)(F)F)c2)cc1 ZINC000841042864 730205697 /nfs/dbraw/zinc/20/56/97/730205697.db2.gz MGANBLKVBZZJFE-QGZVFWFLSA-N 1 1 353.388 3.441 20 10 FGCDMO C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc(Cl)cc1O ZINC000841758859 730271196 /nfs/dbraw/zinc/27/11/96/730271196.db2.gz VMFMFSGALOYVCS-MLGOLLRUSA-N 1 1 355.862 3.112 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843126597 730588974 /nfs/dbraw/zinc/58/89/74/730588974.db2.gz LBUBYAAGNGEDOE-QWHCGFSZSA-N 1 1 353.850 3.165 20 10 FGCDMO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843428614 730619980 /nfs/dbraw/zinc/61/99/80/730619980.db2.gz LCASGPWYDWUTCG-CQSZACIVSA-N 1 1 362.832 3.323 20 10 FGCDMO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843428614 730619982 /nfs/dbraw/zinc/61/99/82/730619982.db2.gz LCASGPWYDWUTCG-CQSZACIVSA-N 1 1 362.832 3.323 20 10 FGCDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cc(Cl)ccc1O ZINC000844882448 730784778 /nfs/dbraw/zinc/78/47/78/730784778.db2.gz OQVPRVLCUQNEKY-CQSZACIVSA-N 1 1 353.894 3.499 20 10 FGCDMO COC(=O)c1cc(C[NH2+]Cc2cccc(Br)c2O)c(C)o1 ZINC000848907293 731219139 /nfs/dbraw/zinc/21/91/39/731219139.db2.gz KVKLEEDQYDQLHQ-UHFFFAOYSA-N 1 1 354.200 3.133 20 10 FGCDMO COc1cc(Br)cc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)c1O ZINC000850352021 731347024 /nfs/dbraw/zinc/34/70/24/731347024.db2.gz YSPICPVBTTYSSA-ZDUSSCGKSA-N 1 1 357.292 3.126 20 10 FGCDMO COc1cc(Br)cc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)c1O ZINC000850352021 731347027 /nfs/dbraw/zinc/34/70/27/731347027.db2.gz YSPICPVBTTYSSA-ZDUSSCGKSA-N 1 1 357.292 3.126 20 10 FGCDMO CCC[N@@H+](C)CC(C)(C)NCc1cc(Br)cc(OC)c1O ZINC000850409786 731353855 /nfs/dbraw/zinc/35/38/55/731353855.db2.gz GKKWVLHGUWNRDB-UHFFFAOYSA-N 1 1 359.308 3.373 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)ccc1[O-] ZINC000850506866 731366424 /nfs/dbraw/zinc/36/64/24/731366424.db2.gz CJRHDBIKYFNIDE-KDOFPFPSSA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)ccc1[O-] ZINC000850506866 731366425 /nfs/dbraw/zinc/36/64/25/731366425.db2.gz CJRHDBIKYFNIDE-KDOFPFPSSA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(Br)c(F)cc1O ZINC000850520437 731368945 /nfs/dbraw/zinc/36/89/45/731368945.db2.gz BJVXHGRHQIZOIM-KRTXAFLBSA-N 1 1 354.166 3.369 20 10 FGCDMO C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c([O-])cccc2Br)C[C@H](C)O1 ZINC000858140849 732184941 /nfs/dbraw/zinc/18/49/41/732184941.db2.gz IOYCPFOFFDYVGM-OKILXGFUSA-N 1 1 371.319 3.134 20 10 FGCDMO C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c([O-])cccc2Br)C[C@H](C)O1 ZINC000858140849 732184942 /nfs/dbraw/zinc/18/49/42/732184942.db2.gz IOYCPFOFFDYVGM-OKILXGFUSA-N 1 1 371.319 3.134 20 10 FGCDMO CCC1([NH+]2CCOCC2)CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000862536749 732846142 /nfs/dbraw/zinc/84/61/42/732846142.db2.gz ULVZOPKXMJUCHR-UHFFFAOYSA-N 1 1 352.906 3.431 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(Br)cn2)c1 ZINC000866569112 733368164 /nfs/dbraw/zinc/36/81/64/733368164.db2.gz MEHPNKDYKNYUGU-JTQLQIEISA-N 1 1 365.227 3.187 20 10 FGCDMO C[C@](CO)([NH2+]Cc1cc(Br)cc(F)c1O)c1ccccc1 ZINC000883003435 737510864 /nfs/dbraw/zinc/51/08/64/737510864.db2.gz PSTABRZRPWMHEL-MRXNPFEDSA-N 1 1 354.219 3.291 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000883255749 737542137 /nfs/dbraw/zinc/54/21/37/737542137.db2.gz CXTIOZUOPCCKEX-CQSZACIVSA-N 1 1 370.287 3.220 20 10 FGCDMO [O-]c1c(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)ccc(F)c1F ZINC000897613600 742694970 /nfs/dbraw/zinc/69/49/70/742694970.db2.gz IZFFBHCUVWWYCY-SNVBAGLBSA-N 1 1 359.298 3.469 20 10 FGCDMO c1cc(N2CCSCC2)ccc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903074061 743802355 /nfs/dbraw/zinc/80/23/55/743802355.db2.gz QTSVAQYIWGZJBD-PRJVBOEPSA-N 1 1 357.567 3.487 20 10 FGCDMO c1cc(N2CCSCC2)ccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903074061 743802359 /nfs/dbraw/zinc/80/23/59/743802359.db2.gz QTSVAQYIWGZJBD-PRJVBOEPSA-N 1 1 357.567 3.487 20 10 FGCDMO C[C@@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)c1ccc(F)cc1O ZINC000903262624 743831684 /nfs/dbraw/zinc/83/16/84/743831684.db2.gz IORLKPHDXWBYNN-WHENESEISA-N 1 1 361.404 3.385 20 10 FGCDMO FC(F)Oc1ccc(N2CCC(N[C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925578717 759508183 /nfs/dbraw/zinc/50/81/83/759508183.db2.gz YFCKSMCWXULQQA-QGZVFWFLSA-N 1 1 351.441 3.131 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCC[C@H]2F)C1 ZINC000571358694 505713668 /nfs/dbraw/zinc/71/36/68/505713668.db2.gz YRZSDPBOKRAQMO-MSOLQXFVSA-N 1 1 357.473 3.415 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000093134493 494831801 /nfs/dbraw/zinc/83/18/01/494831801.db2.gz NKNDLSXBVWRQBH-GOSISDBHSA-N 1 1 353.514 3.450 20 10 FGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)c1O ZINC000093770995 494920065 /nfs/dbraw/zinc/92/00/65/494920065.db2.gz VXDADFAENZEMLA-AWEZNQCLSA-N 1 1 360.420 3.497 20 10 FGCDMO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000111236366 495053008 /nfs/dbraw/zinc/05/30/08/495053008.db2.gz BEYJMUJSCRKJLL-IBGZPJMESA-N 1 1 354.450 3.196 20 10 FGCDMO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000134265639 495128254 /nfs/dbraw/zinc/12/82/54/495128254.db2.gz JOXKNQDQQLNASC-KDOFPFPSSA-N 1 1 373.884 3.325 20 10 FGCDMO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000180724257 496118959 /nfs/dbraw/zinc/11/89/59/496118959.db2.gz ZJISEAYNJVFIEQ-BVBGJJFLSA-N 1 1 372.490 3.201 20 10 FGCDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000181063666 496257516 /nfs/dbraw/zinc/25/75/16/496257516.db2.gz GATFWNNZWJJPMM-CSKARUKUSA-N 1 1 354.450 3.268 20 10 FGCDMO CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)c1nnc2n1CCCCC2 ZINC000273610961 496853220 /nfs/dbraw/zinc/85/32/20/496853220.db2.gz VUDTZHHJHJUMEJ-CJNGLKHVSA-N 1 1 372.469 3.299 20 10 FGCDMO COc1c([O-])c(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475954 497127999 /nfs/dbraw/zinc/12/79/99/497127999.db2.gz ILYUSQKICNGRMP-ZFWWWQNUSA-N 1 1 363.458 3.052 20 10 FGCDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc(N(C)C)c(F)c3)n2)c1 ZINC000278788406 497220672 /nfs/dbraw/zinc/22/06/72/497220672.db2.gz QFZMIVHOPKNBRW-ZDUSSCGKSA-N 1 1 354.433 3.231 20 10 FGCDMO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Cl)c(Cl)cc1O ZINC000193107965 497304272 /nfs/dbraw/zinc/30/42/72/497304272.db2.gz LDIFGNJBZUEQRM-WDEREUQCSA-N 1 1 362.253 3.272 20 10 FGCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000266692999 497399530 /nfs/dbraw/zinc/39/95/30/497399530.db2.gz UUFYOKBPILDIEZ-GOSISDBHSA-N 1 1 358.530 3.157 20 10 FGCDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(F)ccc(O)c1O ZINC000276670267 497624835 /nfs/dbraw/zinc/62/48/35/497624835.db2.gz ZAFWQCXJLHWXHJ-MRXNPFEDSA-N 1 1 372.440 3.221 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1nnc2n1CCC2 ZINC000280368543 497732760 /nfs/dbraw/zinc/73/27/60/497732760.db2.gz SLSURPVFPDJUHY-NSHDSACASA-N 1 1 353.392 3.160 20 10 FGCDMO Cc1cccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)c1O ZINC000364903755 498201417 /nfs/dbraw/zinc/20/14/17/498201417.db2.gz GCVIAKJGKBIRAR-HNNXBMFYSA-N 1 1 351.410 3.268 20 10 FGCDMO CN(C)c1cc[nH+]c(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000301755376 498252973 /nfs/dbraw/zinc/25/29/73/498252973.db2.gz KJFZOYRKVHRGFV-CYBMUJFWSA-N 1 1 363.412 3.225 20 10 FGCDMO Cc1cc(C(=O)NCc2[nH+]c(C)n3c2CCCC3)c(C)n1-c1ccccn1 ZINC000365098758 498295293 /nfs/dbraw/zinc/29/52/93/498295293.db2.gz JRMSBDQUHRFSQJ-UHFFFAOYSA-N 1 1 363.465 3.260 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](N4CCCCC4)C3)cc2)CC1 ZINC000297342660 498413032 /nfs/dbraw/zinc/41/30/32/498413032.db2.gz BAFKCNNRRULGFS-NRFANRHFSA-N 1 1 357.542 3.362 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](N4CCCCC4)C3)cc2)CC1 ZINC000297342660 498413041 /nfs/dbraw/zinc/41/30/41/498413041.db2.gz BAFKCNNRRULGFS-NRFANRHFSA-N 1 1 357.542 3.362 20 10 FGCDMO C[C@H](C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O)N1CCN(C)CC1 ZINC000293887373 498523544 /nfs/dbraw/zinc/52/35/44/498523544.db2.gz VTQDSUBLZDRMSD-KNQAVFIVSA-N 1 1 367.537 3.292 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000294059526 498576179 /nfs/dbraw/zinc/57/61/79/498576179.db2.gz XPZQDQPBJJCTTD-LJQANCHMSA-N 1 1 372.421 3.303 20 10 FGCDMO Cn1ccnc1[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(C)(C)CO ZINC000295022199 498883138 /nfs/dbraw/zinc/88/31/38/498883138.db2.gz KSYWNJCADVICDA-LJQANCHMSA-N 1 1 356.514 3.260 20 10 FGCDMO Cc1c[nH]nc1C[NH2+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000368074097 499261578 /nfs/dbraw/zinc/26/15/78/499261578.db2.gz UCKXODINOJHZCI-ZDUSSCGKSA-N 1 1 354.376 3.233 20 10 FGCDMO CN1CCC([N@H+](Cc2ccco2)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000368136208 499268284 /nfs/dbraw/zinc/26/82/84/499268284.db2.gz TYOWDESXAUPMON-UHFFFAOYSA-N 1 1 369.509 3.213 20 10 FGCDMO CN1CCC([N@@H+](Cc2ccco2)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000368136208 499268285 /nfs/dbraw/zinc/26/82/85/499268285.db2.gz TYOWDESXAUPMON-UHFFFAOYSA-N 1 1 369.509 3.213 20 10 FGCDMO CC(C)N1CCN([C@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000371336665 499312316 /nfs/dbraw/zinc/31/23/16/499312316.db2.gz QGRGREHENGLGAN-QHCPKHFHSA-N 1 1 370.585 3.277 20 10 FGCDMO CC(C)N1CCN([C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000371336665 499312318 /nfs/dbraw/zinc/31/23/18/499312318.db2.gz QGRGREHENGLGAN-QHCPKHFHSA-N 1 1 370.585 3.277 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c1O ZINC000368623234 499314680 /nfs/dbraw/zinc/31/46/80/499314680.db2.gz POQMBILJUNHWMA-HNNXBMFYSA-N 1 1 352.862 3.031 20 10 FGCDMO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)c(F)c2)o1 ZINC000368672579 499320898 /nfs/dbraw/zinc/32/08/98/499320898.db2.gz GNBXWWNXIANURU-IBGZPJMESA-N 1 1 359.445 3.458 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000373196252 499456567 /nfs/dbraw/zinc/45/65/67/499456567.db2.gz UPALFKKQQIVKEB-ZDUSSCGKSA-N 1 1 368.393 3.346 20 10 FGCDMO CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000376168356 499588528 /nfs/dbraw/zinc/58/85/28/499588528.db2.gz ULSLAOSPZRUMMI-HNNXBMFYSA-N 1 1 371.485 3.253 20 10 FGCDMO CN1CCN([C@@H]2CCCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000377619031 499711158 /nfs/dbraw/zinc/71/11/58/499711158.db2.gz CVMSKJDTTSLXNV-LJQANCHMSA-N 1 1 353.510 3.147 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621087 499711486 /nfs/dbraw/zinc/71/14/86/499711486.db2.gz GHXQSRBWTDSQNP-GOEBONIOSA-N 1 1 374.485 3.140 20 10 FGCDMO CN1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000377760655 499730150 /nfs/dbraw/zinc/73/01/50/499730150.db2.gz JXYORVYAJSTJOG-JTHBVZDNSA-N 1 1 365.521 3.306 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+](C)C2CCN(CCc3ccncc3)CC2)c1 ZINC000377917951 499748053 /nfs/dbraw/zinc/74/80/53/499748053.db2.gz KXKPVBONZJSWRY-UHFFFAOYSA-N 1 1 369.509 3.325 20 10 FGCDMO CO[C@@H]1CCCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000444121276 500806220 /nfs/dbraw/zinc/80/62/20/500806220.db2.gz HLVXTOGZGYMXNY-QGZVFWFLSA-N 1 1 369.509 3.045 20 10 FGCDMO CSCCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435821088 501033995 /nfs/dbraw/zinc/03/39/95/501033995.db2.gz ZXBSCQGMYSXYQA-UHFFFAOYSA-N 1 1 359.539 3.229 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000471733894 502122588 /nfs/dbraw/zinc/12/25/88/502122588.db2.gz DCXJKWDSMRRGAF-CVEARBPZSA-N 1 1 356.514 3.406 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000472008921 502198816 /nfs/dbraw/zinc/19/88/16/502198816.db2.gz RTZOFEQVALZFSK-ALOPSCKCSA-N 1 1 354.498 3.301 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)ccc21 ZINC000484695444 502711912 /nfs/dbraw/zinc/71/19/12/502711912.db2.gz NEHISOHOOOWQLW-TZIWHRDSSA-N 1 1 369.509 3.261 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)ccc21 ZINC000513227908 502884393 /nfs/dbraw/zinc/88/43/93/502884393.db2.gz SOHDOSIJYMLYDU-GASCZTMLSA-N 1 1 357.498 3.069 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)ccc21 ZINC000513227908 502884396 /nfs/dbraw/zinc/88/43/96/502884396.db2.gz SOHDOSIJYMLYDU-GASCZTMLSA-N 1 1 357.498 3.069 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)[C@@H](C)[C@H]3C)ccc21 ZINC000538921035 504417039 /nfs/dbraw/zinc/41/70/39/504417039.db2.gz DKYNPTVDUDOYJZ-DLBZAZTESA-N 1 1 357.498 3.069 20 10 FGCDMO CC[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[N@@H+](C)Cc1ccccc1 ZINC000559276098 504817429 /nfs/dbraw/zinc/81/74/29/504817429.db2.gz NSMCNBKBPQZXGS-IBGZPJMESA-N 1 1 367.493 3.389 20 10 FGCDMO CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458189 600718035 /nfs/dbraw/zinc/71/80/35/600718035.db2.gz KGYZKOLACRHFJV-HNNXBMFYSA-N 1 1 356.466 3.407 20 10 FGCDMO CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458189 600718036 /nfs/dbraw/zinc/71/80/36/600718036.db2.gz KGYZKOLACRHFJV-HNNXBMFYSA-N 1 1 356.466 3.407 20 10 FGCDMO CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829458189 600718037 /nfs/dbraw/zinc/71/80/37/600718037.db2.gz KGYZKOLACRHFJV-HNNXBMFYSA-N 1 1 356.466 3.407 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2F)C2CC2)cc1 ZINC000825879044 608645216 /nfs/dbraw/zinc/64/52/16/608645216.db2.gz GHKUMAHFJXKLPA-UHFFFAOYSA-N 1 1 366.444 3.236 20 10 FGCDMO COc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1OC ZINC000048795072 695889605 /nfs/dbraw/zinc/88/96/05/695889605.db2.gz RFYVGFWBAPWPRC-UHFFFAOYSA-N 1 1 352.228 3.462 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NCC(C)C ZINC000076118529 700224730 /nfs/dbraw/zinc/22/47/30/700224730.db2.gz QGWDSDUGQUCVKS-LBPRGKRZSA-N 1 1 357.292 3.137 20 10 FGCDMO Cc1ccc(O)c(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 ZINC000092589690 700437744 /nfs/dbraw/zinc/43/77/44/700437744.db2.gz IVCANLGPIACEDL-UHFFFAOYSA-N 1 1 362.832 3.451 20 10 FGCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000092710079 700440334 /nfs/dbraw/zinc/44/03/34/700440334.db2.gz CRUFJTNXTMQBSZ-CYBMUJFWSA-N 1 1 369.303 3.283 20 10 FGCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(Br)cc1 ZINC000111235879 700547118 /nfs/dbraw/zinc/54/71/18/700547118.db2.gz URAKBVRKFBRFKD-HNNXBMFYSA-N 1 1 366.255 3.026 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](CCO)C2CCCCC2)c1O ZINC000155129625 705064840 /nfs/dbraw/zinc/06/48/40/705064840.db2.gz VCJWQLZTFMMUPT-UHFFFAOYSA-N 1 1 358.276 3.290 20 10 FGCDMO Cc1nsc(N2CCC[N@@H+](Cc3cc4c(cc3O)CCCC4)CC2)n1 ZINC000160310464 705250224 /nfs/dbraw/zinc/25/02/24/705250224.db2.gz RDLAWRYBIIFSBT-UHFFFAOYSA-N 1 1 358.511 3.143 20 10 FGCDMO CCCC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160757538 705260880 /nfs/dbraw/zinc/26/08/80/705260880.db2.gz XPIHQHZCVPRUJL-HXUWFJFHSA-N 1 1 364.555 3.466 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC1CCCC1 ZINC000174423642 705503533 /nfs/dbraw/zinc/50/35/33/705503533.db2.gz JCXOAJVMPJNNNP-GFCCVEGCSA-N 1 1 369.303 3.424 20 10 FGCDMO O=C(NCCCSc1nccs1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000177852567 705642783 /nfs/dbraw/zinc/64/27/83/705642783.db2.gz YZWHICYOLUTAJP-UHFFFAOYSA-N 1 1 368.572 3.285 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000179946431 705721729 /nfs/dbraw/zinc/72/17/29/705721729.db2.gz PYAYNZJRNSSANC-OAHLLOKOSA-N 1 1 350.459 3.232 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCOC3(CCOCC3)CC2)c1O ZINC000375085655 713965928 /nfs/dbraw/zinc/96/59/28/713965928.db2.gz ZUPYKOUCXHQOPM-UHFFFAOYSA-N 1 1 370.287 3.235 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1O ZINC000779431956 724413164 /nfs/dbraw/zinc/41/31/64/724413164.db2.gz IKBJHPIMVWKZET-ZIAGYGMSSA-N 1 1 372.303 3.392 20 10 FGCDMO CN(CC[N@H+](C)Cc1cccc(Br)c1O)C(=O)OC(C)(C)C ZINC000779597854 724418855 /nfs/dbraw/zinc/41/88/55/724418855.db2.gz XKQQWQKEFPVQCF-UHFFFAOYSA-N 1 1 373.291 3.453 20 10 FGCDMO CN(CC[N@@H+](C)Cc1cccc(Br)c1O)C(=O)OC(C)(C)C ZINC000779597854 724418856 /nfs/dbraw/zinc/41/88/56/724418856.db2.gz XKQQWQKEFPVQCF-UHFFFAOYSA-N 1 1 373.291 3.453 20 10 FGCDMO CC[C@H]1C[C@@H](C[N@H+](CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000780758659 724498783 /nfs/dbraw/zinc/49/87/83/724498783.db2.gz VPQUOAQHGPBLOI-BBRMVZONSA-N 1 1 355.862 3.226 20 10 FGCDMO CC[C@H]1C[C@@H](C[N@@H+](CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000780758659 724498785 /nfs/dbraw/zinc/49/87/85/724498785.db2.gz VPQUOAQHGPBLOI-BBRMVZONSA-N 1 1 355.862 3.226 20 10 FGCDMO COC(=O)[C@H](C)C[N@@H+](Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000780893850 724512594 /nfs/dbraw/zinc/51/25/94/724512594.db2.gz UEWAIJYDGOBHNK-LLVKDONJSA-N 1 1 356.260 3.237 20 10 FGCDMO CCN(CC)c1ccc(CNC(=S)NC[C@H]2CCC[N@H+]2CC)cc1F ZINC000731320734 722474597 /nfs/dbraw/zinc/47/45/97/722474597.db2.gz XJPRBIUWSBBUDR-MRXNPFEDSA-N 1 1 366.550 3.120 20 10 FGCDMO C[NH+]1CCN(c2ccc(NC(=O)C3=CC(=O)CS3)cc2Cl)CC1 ZINC000732281431 722483418 /nfs/dbraw/zinc/48/34/18/722483418.db2.gz HMGNYNGQYBJPTA-UHFFFAOYSA-N 1 1 351.859 3.111 20 10 FGCDMO CC(C)OCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000752595413 722864115 /nfs/dbraw/zinc/86/41/15/722864115.db2.gz FCZNPOUZKZYTEX-QGZVFWFLSA-N 1 1 368.905 3.331 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1cc(F)cc(F)c1O ZINC000756541645 722966475 /nfs/dbraw/zinc/96/64/75/722966475.db2.gz GIOFZZSZOLZGLV-MWLCHTKSSA-N 1 1 359.319 3.039 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000790930652 723195387 /nfs/dbraw/zinc/19/53/87/723195387.db2.gz BILAHQHQAOTZTN-OGHNNQOOSA-N 1 1 370.287 3.231 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000790930652 723195389 /nfs/dbraw/zinc/19/53/89/723195389.db2.gz BILAHQHQAOTZTN-OGHNNQOOSA-N 1 1 370.287 3.231 20 10 FGCDMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000792934595 723383998 /nfs/dbraw/zinc/38/39/98/723383998.db2.gz YIOYRJHCSGZWCD-UHFFFAOYSA-N 1 1 357.420 3.033 20 10 FGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)c(F)c2)C[C@]2(CCOC2)O1 ZINC000793362440 723429889 /nfs/dbraw/zinc/42/98/89/723429889.db2.gz SWKHXBXKRBLHPE-XLIONFOSSA-N 1 1 350.478 3.442 20 10 FGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)c(F)c2)C[C@]2(CCOC2)O1 ZINC000793362440 723429892 /nfs/dbraw/zinc/42/98/92/723429892.db2.gz SWKHXBXKRBLHPE-XLIONFOSSA-N 1 1 350.478 3.442 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1O ZINC000793609569 723454473 /nfs/dbraw/zinc/45/44/73/723454473.db2.gz OWGSAHTUONABGZ-KBPBESRZSA-N 1 1 356.260 3.307 20 10 FGCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccc(Cl)cc3)C1)[C@@H](O)CO2 ZINC000768441578 723657693 /nfs/dbraw/zinc/65/76/93/723657693.db2.gz DTHBKDYWCQTDBT-HKUYNNGSSA-N 1 1 361.825 3.045 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccc(Cl)cc3)C1)[C@@H](O)CO2 ZINC000768441578 723657694 /nfs/dbraw/zinc/65/76/94/723657694.db2.gz DTHBKDYWCQTDBT-HKUYNNGSSA-N 1 1 361.825 3.045 20 10 FGCDMO CCCC(=O)NC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000768881318 723670821 /nfs/dbraw/zinc/67/08/21/723670821.db2.gz LBSPTUGGFYTNBI-UHFFFAOYSA-N 1 1 355.276 3.035 20 10 FGCDMO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000769290019 723681523 /nfs/dbraw/zinc/68/15/23/723681523.db2.gz HEXDAISDEASLSQ-HNNXBMFYSA-N 1 1 369.303 3.378 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000769394721 723684141 /nfs/dbraw/zinc/68/41/41/723684141.db2.gz CHSULSFEUVUJHF-AWEZNQCLSA-N 1 1 350.459 3.232 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000769394721 723684142 /nfs/dbraw/zinc/68/41/42/723684142.db2.gz CHSULSFEUVUJHF-AWEZNQCLSA-N 1 1 350.459 3.232 20 10 FGCDMO CC1(C)CCC[N@@H+](CCNC(=O)NCCCSc2nccs2)C1 ZINC000770738634 723720264 /nfs/dbraw/zinc/72/02/64/723720264.db2.gz CFEOSTFHNPBJMD-UHFFFAOYSA-N 1 1 356.561 3.047 20 10 FGCDMO CC[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000771058316 723727000 /nfs/dbraw/zinc/72/70/00/723727000.db2.gz MMRBSESEWRSTLQ-NUJGCVRESA-N 1 1 366.889 3.084 20 10 FGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC(F)(F)C1 ZINC000771062500 723727102 /nfs/dbraw/zinc/72/71/02/723727102.db2.gz ABAFZEFOZMPGGX-CQSZACIVSA-N 1 1 358.816 3.172 20 10 FGCDMO O=C([C@@H]1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1)N1CCCCC1 ZINC000797885807 723878523 /nfs/dbraw/zinc/87/85/23/723878523.db2.gz AXGNQXUIBDFRCW-OLZOCXBDSA-N 1 1 354.853 3.456 20 10 FGCDMO COc1c(O)c(C[NH2+]CCOc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774940875 723944413 /nfs/dbraw/zinc/94/44/13/723944413.db2.gz FILFTQGRCABKMZ-UHFFFAOYSA-N 1 1 352.774 3.131 20 10 FGCDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000798963280 723980937 /nfs/dbraw/zinc/98/09/37/723980937.db2.gz BUXBCPFYYQWFQU-SFHVURJKSA-N 1 1 355.862 3.146 20 10 FGCDMO CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775503681 723996945 /nfs/dbraw/zinc/99/69/45/723996945.db2.gz MEUPFWKNRAQZCI-YJBOKZPZSA-N 1 1 351.922 3.255 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+](CCO)Cc2ccccc2)c1O ZINC000775638165 724013938 /nfs/dbraw/zinc/01/39/38/724013938.db2.gz BPFXJFBTQKOTHR-UHFFFAOYSA-N 1 1 350.256 3.458 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](C(F)(F)F)C3(CCC3)C1)[C@H](O)CO2 ZINC000800865021 724239485 /nfs/dbraw/zinc/23/94/85/724239485.db2.gz WRABIVJPRPWDEG-ZBFHGGJFSA-N 1 1 357.372 3.373 20 10 FGCDMO Cc1ccn(C)c1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000784440745 724853103 /nfs/dbraw/zinc/85/31/03/724853103.db2.gz AIOCEPSMQWTLLV-MRXNPFEDSA-N 1 1 361.873 3.087 20 10 FGCDMO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805198173 725055945 /nfs/dbraw/zinc/05/59/45/725055945.db2.gz MGYMPHRVABGSKP-GFCCVEGCSA-N 1 1 374.312 3.476 20 10 FGCDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805198173 725055947 /nfs/dbraw/zinc/05/59/47/725055947.db2.gz MGYMPHRVABGSKP-GFCCVEGCSA-N 1 1 374.312 3.476 20 10 FGCDMO OC[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CC[C@@H]1C(F)(F)F ZINC000809697340 725260037 /nfs/dbraw/zinc/26/00/37/725260037.db2.gz FDASZJBPMYZLOY-QWRGUYRKSA-N 1 1 368.193 3.147 20 10 FGCDMO OC[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CC[C@@H]1C(F)(F)F ZINC000809697340 725260039 /nfs/dbraw/zinc/26/00/39/725260039.db2.gz FDASZJBPMYZLOY-QWRGUYRKSA-N 1 1 368.193 3.147 20 10 FGCDMO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000809709069 725261113 /nfs/dbraw/zinc/26/11/13/725261113.db2.gz LZBPUYFIOKQUOG-CQSZACIVSA-N 1 1 371.275 3.207 20 10 FGCDMO COc1c(O)c(C[NH2+]CCc2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000809728440 725263255 /nfs/dbraw/zinc/26/32/55/725263255.db2.gz XECKVISIAHYYIL-UHFFFAOYSA-N 1 1 359.407 3.251 20 10 FGCDMO Cc1cc(Br)cc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000809767857 725266505 /nfs/dbraw/zinc/26/65/05/725266505.db2.gz VXVKXVQCUKGNOA-XJKSGUPXSA-N 1 1 353.304 3.379 20 10 FGCDMO Cc1cc(Br)cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000809767857 725266507 /nfs/dbraw/zinc/26/65/07/725266507.db2.gz VXVKXVQCUKGNOA-XJKSGUPXSA-N 1 1 353.304 3.379 20 10 FGCDMO COC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000812536054 725399647 /nfs/dbraw/zinc/39/96/47/725399647.db2.gz OXUAPZAJLGNUPS-GRDNDAEWSA-N 1 1 368.905 3.045 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1F ZINC000814171303 726944396 /nfs/dbraw/zinc/94/43/96/726944396.db2.gz OASWHGLWJGQSPS-KRWDZBQOSA-N 1 1 370.534 3.461 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1F ZINC000814171303 726944400 /nfs/dbraw/zinc/94/44/00/726944400.db2.gz OASWHGLWJGQSPS-KRWDZBQOSA-N 1 1 370.534 3.461 20 10 FGCDMO O=C1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CN1c1c(F)cccc1F ZINC000816560095 727175924 /nfs/dbraw/zinc/17/59/24/727175924.db2.gz DIOSJMMARACHIT-SNVBAGLBSA-N 1 1 370.758 3.358 20 10 FGCDMO C[N@@H+](Cc1cccc(Br)c1O)C[C@H](O)Cc1ccccc1 ZINC000816624851 727182141 /nfs/dbraw/zinc/18/21/41/727182141.db2.gz JMLOPUZGGIRNMR-OAHLLOKOSA-N 1 1 350.256 3.190 20 10 FGCDMO C[N@H+](Cc1cccc(Br)c1O)C[C@H](O)Cc1ccccc1 ZINC000816624851 727182144 /nfs/dbraw/zinc/18/21/44/727182144.db2.gz JMLOPUZGGIRNMR-OAHLLOKOSA-N 1 1 350.256 3.190 20 10 FGCDMO C[NH+](C)C1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000817178460 727227285 /nfs/dbraw/zinc/22/72/85/727227285.db2.gz WMTVVUIGFCJMBM-UHFFFAOYSA-N 1 1 360.285 3.371 20 10 FGCDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(Br)cc2O)oc1C ZINC000824542468 729346321 /nfs/dbraw/zinc/34/63/21/729346321.db2.gz SQDQKZLRRFUFLQ-UHFFFAOYSA-N 1 1 368.227 3.475 20 10 FGCDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(Br)cc2O)cc1 ZINC000824813988 729360055 /nfs/dbraw/zinc/36/00/55/729360055.db2.gz KJDVISNJHJLZHX-MRXNPFEDSA-N 1 1 366.255 3.329 20 10 FGCDMO [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000826940640 729419557 /nfs/dbraw/zinc/41/95/57/729419557.db2.gz DOQVMUNFAXOJTP-MRXNPFEDSA-N 1 1 364.848 3.041 20 10 FGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1C ZINC000827537475 729431530 /nfs/dbraw/zinc/43/15/30/729431530.db2.gz DCYIIIVUERCMJL-SWLSCSKDSA-N 1 1 358.404 3.402 20 10 FGCDMO CCS(=O)(=O)C1CC[NH+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC000829291027 729472247 /nfs/dbraw/zinc/47/22/47/729472247.db2.gz JRQHZNFNQZNSLH-UHFFFAOYSA-N 1 1 364.555 3.384 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CC[S@](=O)C(C)(C)CC3)cc2)CC1 ZINC000832026295 729683266 /nfs/dbraw/zinc/68/32/66/729683266.db2.gz SOXAVKRGBGLINL-VWLOTQADSA-N 1 1 364.555 3.035 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CC[S@](=O)C(C)(C)CC3)cc2)CC1 ZINC000832026295 729683269 /nfs/dbraw/zinc/68/32/69/729683269.db2.gz SOXAVKRGBGLINL-VWLOTQADSA-N 1 1 364.555 3.035 20 10 FGCDMO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(Cl)cc1O ZINC000841752600 730270770 /nfs/dbraw/zinc/27/07/70/730270770.db2.gz PWOFIXAGBQTQHV-GFCCVEGCSA-N 1 1 374.934 3.289 20 10 FGCDMO COc1cc(C[N@H+]2CCO[C@]3(CCSC3)C2)c(O)c(C(C)(C)C)c1 ZINC000842626168 730521433 /nfs/dbraw/zinc/52/14/33/730521433.db2.gz VEPPTSUBVFNYCS-LJQANCHMSA-N 1 1 351.512 3.406 20 10 FGCDMO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)c1O ZINC000846172169 730933480 /nfs/dbraw/zinc/93/34/80/730933480.db2.gz XBQOOROXVQYINT-UWVGGRQHSA-N 1 1 352.232 3.365 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC000848554268 731180909 /nfs/dbraw/zinc/18/09/09/731180909.db2.gz SEXQZSVNAYVKCZ-HLVVYCRESA-N 1 1 369.303 3.439 20 10 FGCDMO COc1cc(Br)cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC000848554269 731180978 /nfs/dbraw/zinc/18/09/78/731180978.db2.gz SEXQZSVNAYVKCZ-NDNKKMJESA-N 1 1 369.303 3.439 20 10 FGCDMO COCCOc1ccccc1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858105265 732181101 /nfs/dbraw/zinc/18/11/01/732181101.db2.gz KXOOWRWHXNTNFV-UHFFFAOYSA-N 1 1 350.409 3.346 20 10 FGCDMO Oc1ccccc1N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862212911 732787104 /nfs/dbraw/zinc/78/71/04/732787104.db2.gz WAGWBAWJNFJOPP-UHFFFAOYSA-N 1 1 363.255 3.183 20 10 FGCDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862236369 732792655 /nfs/dbraw/zinc/79/26/55/732792655.db2.gz AJRNURVHTAUSEQ-AWEZNQCLSA-N 1 1 353.457 3.015 20 10 FGCDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862236369 732792660 /nfs/dbraw/zinc/79/26/60/732792660.db2.gz AJRNURVHTAUSEQ-AWEZNQCLSA-N 1 1 353.457 3.015 20 10 FGCDMO Cc1noc(C2(C)CC[NH+](Cc3cc(F)c(N(C)C)cc3F)CC2)n1 ZINC000862308581 732807095 /nfs/dbraw/zinc/80/70/95/732807095.db2.gz GBFJGSMUVMFVFU-UHFFFAOYSA-N 1 1 350.413 3.276 20 10 FGCDMO [NH3+]C[C@H]1CN(Cc2cccc(Br)c2O)CC[C@H]1C(F)(F)F ZINC000863647007 732989950 /nfs/dbraw/zinc/98/99/50/732989950.db2.gz ULZSZOLPIFWOMO-WDEREUQCSA-N 1 1 367.209 3.114 20 10 FGCDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)n1 ZINC000877812951 736726667 /nfs/dbraw/zinc/72/66/67/736726667.db2.gz GVSDYEYLEJXHRS-MRXNPFEDSA-N 1 1 361.486 3.417 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822734 736730543 /nfs/dbraw/zinc/73/05/43/736730543.db2.gz HTOJZRMEPANIOQ-WMLDXEAASA-N 1 1 358.404 3.065 20 10 FGCDMO COc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2O)c(OC)c1OC ZINC000882968350 737507680 /nfs/dbraw/zinc/50/76/80/737507680.db2.gz LKOYKRJBSHAKCQ-UHFFFAOYSA-N 1 1 353.365 3.029 20 10 FGCDMO C[NH+]1CCN(c2ccc(CN[C@@H]3CCc4ccc(Cl)nc43)cc2)CC1 ZINC000883289838 737547883 /nfs/dbraw/zinc/54/78/83/737547883.db2.gz BJOZPXUMRQIXGY-GOSISDBHSA-N 1 1 356.901 3.264 20 10 FGCDMO CCOC(=O)C1([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)CCOCC1 ZINC000897740824 742709497 /nfs/dbraw/zinc/70/94/97/742709497.db2.gz HWBCBHMLQMYLOE-LLVKDONJSA-N 1 1 359.825 3.023 20 10 FGCDMO N[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2 ZINC000925578112 759508267 /nfs/dbraw/zinc/50/82/67/759508267.db2.gz SHLVIADTHONWAC-IAGOWNOFSA-N 1 1 351.441 3.116 20 10 FGCDMO Cc1ccc(O)c(C[N@@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000092512381 494652980 /nfs/dbraw/zinc/65/29/80/494652980.db2.gz OCTDHBBKJIXREL-UHFFFAOYSA-N 1 1 363.479 3.005 20 10 FGCDMO C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000127367233 494934648 /nfs/dbraw/zinc/93/46/48/494934648.db2.gz WJTBLYVPHOUPPN-ZWKOTPCHSA-N 1 1 362.537 3.103 20 10 FGCDMO COc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccccc3O)CC2)cc1 ZINC000179566105 495642204 /nfs/dbraw/zinc/64/22/04/495642204.db2.gz ZXTVVGXXLKBXIH-UHFFFAOYSA-N 1 1 368.477 3.068 20 10 FGCDMO CC[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(N(C)C)cc1 ZINC000159166887 495673710 /nfs/dbraw/zinc/67/37/10/495673710.db2.gz JNDBWQLDUZNRSA-OAQYLSRUSA-N 1 1 367.541 3.140 20 10 FGCDMO COc1cccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1O ZINC000180804340 496153770 /nfs/dbraw/zinc/15/37/70/496153770.db2.gz YNTSTZBKAKLYAY-ZDUSSCGKSA-N 1 1 355.360 3.453 20 10 FGCDMO CC[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1O ZINC000157424575 496475371 /nfs/dbraw/zinc/47/53/71/496475371.db2.gz JCIMZCOKTJDUJC-RTBURBONSA-N 1 1 353.466 3.405 20 10 FGCDMO Cc1csc([C@H]([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000181627344 496476515 /nfs/dbraw/zinc/47/65/15/496476515.db2.gz QOMSSLCLVQNHJG-LJQANCHMSA-N 1 1 372.538 3.217 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc(Cl)ccc1O ZINC000184968408 496604026 /nfs/dbraw/zinc/60/40/26/496604026.db2.gz HUGQSPNYPYVHLZ-CQSZACIVSA-N 1 1 360.889 3.043 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1cc(Cl)ccc1O ZINC000185041923 496634381 /nfs/dbraw/zinc/63/43/81/496634381.db2.gz DWCQVVQWWLIBPB-CQSZACIVSA-N 1 1 360.889 3.043 20 10 FGCDMO COc1cc(OC)cc([C@H]([NH2+]Cc2ccccc2O)c2nccn2C)c1 ZINC000237371991 497227472 /nfs/dbraw/zinc/22/74/72/497227472.db2.gz RKRFINUKPFXJEY-IBGZPJMESA-N 1 1 353.422 3.022 20 10 FGCDMO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000275153228 497244734 /nfs/dbraw/zinc/24/47/34/497244734.db2.gz UHXMFJXJXAEFTK-INIZCTEOSA-N 1 1 369.431 3.177 20 10 FGCDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000275153231 497245527 /nfs/dbraw/zinc/24/55/27/497245527.db2.gz UHXMFJXJXAEFTK-MRXNPFEDSA-N 1 1 369.431 3.177 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194426338 497662533 /nfs/dbraw/zinc/66/25/33/497662533.db2.gz SZUWYYMPCDKVOL-GOSISDBHSA-N 1 1 353.466 3.056 20 10 FGCDMO C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000191187431 497737815 /nfs/dbraw/zinc/73/78/15/497737815.db2.gz WDXJWZCMQAXEQZ-AWEZNQCLSA-N 1 1 362.420 3.353 20 10 FGCDMO OC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@H]1C(F)(F)F ZINC000289589249 498208332 /nfs/dbraw/zinc/20/83/32/498208332.db2.gz KJZVQRLGQQMHCP-CMPLNLGQSA-N 1 1 368.193 3.147 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc21 ZINC000296884972 498237440 /nfs/dbraw/zinc/23/74/40/498237440.db2.gz GIUGUFLFWQWMLO-YQQQUEKLSA-N 1 1 369.509 3.260 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000293804364 498495770 /nfs/dbraw/zinc/49/57/70/498495770.db2.gz DLZNENMDWQSLDH-UHFFFAOYSA-N 1 1 350.821 3.311 20 10 FGCDMO CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(F)cc1O ZINC000287294726 498704872 /nfs/dbraw/zinc/70/48/72/498704872.db2.gz DIBGHBWMWVMGQS-INIZCTEOSA-N 1 1 372.506 3.165 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)cc1OC ZINC000295137138 498922865 /nfs/dbraw/zinc/92/28/65/498922865.db2.gz YXLDCPXYBBMZDT-OAHLLOKOSA-N 1 1 351.830 3.228 20 10 FGCDMO CN(C)c1ccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1F ZINC000372588740 499149861 /nfs/dbraw/zinc/14/98/61/499149861.db2.gz YWEWHVPREUIHIY-MRXNPFEDSA-N 1 1 366.433 3.039 20 10 FGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C1CCN(Cc2cscn2)CC1 ZINC000372791098 499175765 /nfs/dbraw/zinc/17/57/65/499175765.db2.gz TYQYBDSDQSSOGL-UHFFFAOYSA-N 1 1 355.866 3.395 20 10 FGCDMO CN1CCN(C[C@@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000368050601 499259465 /nfs/dbraw/zinc/25/94/65/499259465.db2.gz GORZYCPTYYNYIS-QFIPXVFZSA-N 1 1 370.585 3.136 20 10 FGCDMO CN1CCN(C[C@@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000368050601 499259467 /nfs/dbraw/zinc/25/94/67/499259467.db2.gz GORZYCPTYYNYIS-QFIPXVFZSA-N 1 1 370.585 3.136 20 10 FGCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(CO)(Nc3ccccc3)CC2)c1O ZINC000371188720 499297000 /nfs/dbraw/zinc/29/70/00/499297000.db2.gz NGTHWZYFRKJSMQ-UHFFFAOYSA-N 1 1 372.440 3.173 20 10 FGCDMO Cc1[nH]ncc1C[NH2+]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000368782107 499332140 /nfs/dbraw/zinc/33/21/40/499332140.db2.gz QCSYIAXRGVTHPI-UHFFFAOYSA-N 1 1 354.376 3.375 20 10 FGCDMO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c1O ZINC000372364231 499425157 /nfs/dbraw/zinc/42/51/57/499425157.db2.gz FQCSDIKALGKBAX-PHZGNYQRSA-N 1 1 362.470 3.421 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](C)c2ccccc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000373196251 499456584 /nfs/dbraw/zinc/45/65/84/499456584.db2.gz UPALFKKQQIVKEB-CYBMUJFWSA-N 1 1 368.393 3.346 20 10 FGCDMO CC[C@@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccc(F)cc1O ZINC000375803673 499556960 /nfs/dbraw/zinc/55/69/60/499556960.db2.gz DVPZIPGFBWICJG-SJORKVTESA-N 1 1 358.413 3.212 20 10 FGCDMO CC[C@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(F)cc1O ZINC000375836505 499560610 /nfs/dbraw/zinc/56/06/10/499560610.db2.gz CSAAAAYOPFXIFX-MFKMUULPSA-N 1 1 372.366 3.488 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000428091890 500468044 /nfs/dbraw/zinc/46/80/44/500468044.db2.gz NJXGKQNXYURRAG-YPGOJHLTSA-N 1 1 351.494 3.323 20 10 FGCDMO COCCN(C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C1CC1 ZINC000435545727 500990576 /nfs/dbraw/zinc/99/05/76/500990576.db2.gz LSEBCCGBMKNNML-UHFFFAOYSA-N 1 1 369.509 3.045 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCO[C@@H](C)C2)C1 ZINC000435734631 501020561 /nfs/dbraw/zinc/02/05/61/501020561.db2.gz GOQNAAHNYYMLNQ-KRWDZBQOSA-N 1 1 369.509 3.045 20 10 FGCDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000584430029 507338987 /nfs/dbraw/zinc/33/89/87/507338987.db2.gz IHHSYOISDMPSOU-SFHVURJKSA-N 1 1 357.498 3.071 20 10 FGCDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000584430029 507338990 /nfs/dbraw/zinc/33/89/90/507338990.db2.gz IHHSYOISDMPSOU-SFHVURJKSA-N 1 1 357.498 3.071 20 10 FGCDMO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(OC)c(C)cc1O ZINC000825318380 608545975 /nfs/dbraw/zinc/54/59/75/608545975.db2.gz MTZPLRMNVQMVTA-UHFFFAOYSA-N 1 1 367.453 3.302 20 10 FGCDMO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571620 695619366 /nfs/dbraw/zinc/61/93/66/695619366.db2.gz BXYBOPHAIXGONG-AWEZNQCLSA-N 1 1 357.420 3.176 20 10 FGCDMO COc1ccc(C[NH2+]Cc2cccc(Br)c2O)c(OC)c1 ZINC000071138211 695957674 /nfs/dbraw/zinc/95/76/74/695957674.db2.gz QQOAJQWUMIPQQT-UHFFFAOYSA-N 1 1 352.228 3.462 20 10 FGCDMO CCN(CC)C(=O)[C@@H](C)[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000076118522 700224436 /nfs/dbraw/zinc/22/44/36/700224436.db2.gz AGUUJYYNOWBHDY-GFCCVEGCSA-N 1 1 357.292 3.234 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](OCC(C)C)C2)c1O ZINC000091964169 700429372 /nfs/dbraw/zinc/42/93/72/700429372.db2.gz DMXIPDNJAVXIAZ-AWEZNQCLSA-N 1 1 358.276 3.410 20 10 FGCDMO Oc1cccc(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)c1 ZINC000121616619 700676489 /nfs/dbraw/zinc/67/64/89/700676489.db2.gz ZXVQXZBUGZCSOT-UHFFFAOYSA-N 1 1 363.255 3.183 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000177283216 705615841 /nfs/dbraw/zinc/61/58/41/705615841.db2.gz YCXUKNZRMSUVFB-NSHDSACASA-N 1 1 354.422 3.079 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000177283216 705615846 /nfs/dbraw/zinc/61/58/46/705615846.db2.gz YCXUKNZRMSUVFB-NSHDSACASA-N 1 1 354.422 3.079 20 10 FGCDMO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc(F)cc1O ZINC000184852851 712677304 /nfs/dbraw/zinc/67/73/04/712677304.db2.gz GGGJCJFNLVWZTK-XJKSGUPXSA-N 1 1 350.459 3.317 20 10 FGCDMO C[C@H](CNC(=O)NCCCSc1nccs1)[N@H+]1CCC[C@@H](C)C1 ZINC000247644212 713642578 /nfs/dbraw/zinc/64/25/78/713642578.db2.gz ORSZMKXGFWSNLK-ZIAGYGMSSA-N 1 1 356.561 3.045 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164849 724397379 /nfs/dbraw/zinc/39/73/79/724397379.db2.gz ZVTUAEIFJMNFJZ-UONOGXRCSA-N 1 1 350.459 3.136 20 10 FGCDMO CCC(=O)N1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792793171 723368487 /nfs/dbraw/zinc/36/84/87/723368487.db2.gz QCPHXYSGTRUTNR-UHFFFAOYSA-N 1 1 357.420 3.216 20 10 FGCDMO CCC(=O)N1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792793171 723368492 /nfs/dbraw/zinc/36/84/92/723368492.db2.gz QCPHXYSGTRUTNR-UHFFFAOYSA-N 1 1 357.420 3.216 20 10 FGCDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000769494959 723687270 /nfs/dbraw/zinc/68/72/70/723687270.db2.gz CUMVHPYWVURWKQ-CVEARBPZSA-N 1 1 369.303 3.376 20 10 FGCDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(Br)ccc1O ZINC000769494959 723687271 /nfs/dbraw/zinc/68/72/71/723687271.db2.gz CUMVHPYWVURWKQ-CVEARBPZSA-N 1 1 369.303 3.376 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(N3CCCC3=O)CC2)c1 ZINC000781912807 724611809 /nfs/dbraw/zinc/61/18/09/724611809.db2.gz QTJLLBFXBHXLFX-UHFFFAOYSA-N 1 1 367.287 3.050 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](CC(C)(C)O)C2CCOCC2)c1O ZINC000750047088 722752674 /nfs/dbraw/zinc/75/26/74/722752674.db2.gz IOMZDWGLUBBFQZ-UHFFFAOYSA-N 1 1 355.862 3.000 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](CC(C)(C)O)C2CCOCC2)c1O ZINC000750047088 722752676 /nfs/dbraw/zinc/75/26/76/722752676.db2.gz IOMZDWGLUBBFQZ-UHFFFAOYSA-N 1 1 355.862 3.000 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000753136979 722886684 /nfs/dbraw/zinc/88/66/84/722886684.db2.gz GIRFJNYZFRWUHM-RTBURBONSA-N 1 1 361.555 3.071 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000753593666 722906119 /nfs/dbraw/zinc/90/61/19/722906119.db2.gz FLSGURRPPGNLTQ-CQSZACIVSA-N 1 1 370.287 3.438 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000753593666 722906120 /nfs/dbraw/zinc/90/61/20/722906120.db2.gz FLSGURRPPGNLTQ-CQSZACIVSA-N 1 1 370.287 3.438 20 10 FGCDMO C[C@@H]([NH2+]CCOc1cccnc1)c1cc(Br)c(F)cc1O ZINC000756570604 722967056 /nfs/dbraw/zinc/96/70/56/722967056.db2.gz DSXLKBOTYAIMKW-SNVBAGLBSA-N 1 1 355.207 3.418 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1F ZINC000790931307 723195631 /nfs/dbraw/zinc/19/56/31/723195631.db2.gz GKHXWNJENSFEKM-FTRWYGJKSA-N 1 1 350.478 3.440 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1F ZINC000790931307 723195635 /nfs/dbraw/zinc/19/56/35/723195635.db2.gz GKHXWNJENSFEKM-FTRWYGJKSA-N 1 1 350.478 3.440 20 10 FGCDMO Cc1ccc(CN2CC[C@H]([NH2+]Cc3c(O)ccc(Cl)c3F)C2=O)cc1 ZINC000791010047 723205082 /nfs/dbraw/zinc/20/50/82/723205082.db2.gz CFPSMHTYYKJJRP-INIZCTEOSA-N 1 1 362.832 3.384 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000793216497 723412490 /nfs/dbraw/zinc/41/24/90/723412490.db2.gz CMBFQWCNCCEBGP-LLVKDONJSA-N 1 1 373.291 3.466 20 10 FGCDMO COc1ccc(C[NH2+]Cc2cc(C)cc(Br)c2O)c(O)c1 ZINC000793389503 723433065 /nfs/dbraw/zinc/43/30/65/723433065.db2.gz ZWTQGRKZTGHERK-UHFFFAOYSA-N 1 1 352.228 3.467 20 10 FGCDMO Brc1c[nH+]ccc1NCc1ccc(N2CCSCC2)cc1 ZINC000768495311 723659226 /nfs/dbraw/zinc/65/92/26/723659226.db2.gz ZSMDKFGQOXBZRV-UHFFFAOYSA-N 1 1 364.312 3.431 20 10 FGCDMO CCOc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000769398597 723684391 /nfs/dbraw/zinc/68/43/91/723684391.db2.gz UBLZQPOZWVWEBN-AWEZNQCLSA-N 1 1 350.459 3.232 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000769398597 723684392 /nfs/dbraw/zinc/68/43/92/723684392.db2.gz UBLZQPOZWVWEBN-AWEZNQCLSA-N 1 1 350.459 3.232 20 10 FGCDMO COc1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000769696308 723692406 /nfs/dbraw/zinc/69/24/06/723692406.db2.gz KPEBOOYTXVWJQI-UHFFFAOYSA-N 1 1 351.372 3.431 20 10 FGCDMO CC(C)SCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771065154 723727187 /nfs/dbraw/zinc/72/71/87/723727187.db2.gz LXYMNUPZZYYXNU-HNNXBMFYSA-N 1 1 356.919 3.268 20 10 FGCDMO C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cccc(C(F)(F)F)c1O ZINC000798182090 723911094 /nfs/dbraw/zinc/91/10/94/723911094.db2.gz QCZPNQKASYDKHJ-NSHDSACASA-N 1 1 352.356 3.403 20 10 FGCDMO COc1c(O)c(C[NH2+]CCSCc2ccccc2F)ccc1[N+](=O)[O-] ZINC000774940871 723944344 /nfs/dbraw/zinc/94/43/44/723944344.db2.gz FAYLGMIXSZYREE-UHFFFAOYSA-N 1 1 366.414 3.471 20 10 FGCDMO COc1c(O)c(C[NH2+]CCCOc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774990975 723948724 /nfs/dbraw/zinc/94/87/24/723948724.db2.gz LQJRQJGSQAABRK-UHFFFAOYSA-N 1 1 350.346 3.007 20 10 FGCDMO CCCCN1CCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775012360 723951488 /nfs/dbraw/zinc/95/14/88/723951488.db2.gz HDBIHVYQXPQVJB-HNNXBMFYSA-N 1 1 351.447 3.053 20 10 FGCDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000775143787 723963717 /nfs/dbraw/zinc/96/37/17/723963717.db2.gz BYYIVPYYAXCCMU-ZANVPECISA-N 1 1 368.193 3.290 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000775146797 723964118 /nfs/dbraw/zinc/96/41/18/723964118.db2.gz IKBKIEXUFNKQIM-RISCZKNCSA-N 1 1 370.877 3.399 20 10 FGCDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000775202936 723970806 /nfs/dbraw/zinc/97/08/06/723970806.db2.gz ZRHUSWNTQJUBJP-GOSISDBHSA-N 1 1 355.862 3.465 20 10 FGCDMO COc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1 ZINC000775724274 724031105 /nfs/dbraw/zinc/03/11/05/724031105.db2.gz LEGWHIMABFKQKX-UHFFFAOYSA-N 1 1 350.459 3.232 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)c1 ZINC000775724274 724031109 /nfs/dbraw/zinc/03/11/09/724031109.db2.gz LEGWHIMABFKQKX-UHFFFAOYSA-N 1 1 350.459 3.232 20 10 FGCDMO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000800534539 724210159 /nfs/dbraw/zinc/21/01/59/724210159.db2.gz OKMJURCMVDOVDZ-IBGZPJMESA-N 1 1 359.491 3.458 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1C(C)C ZINC000777565085 724239762 /nfs/dbraw/zinc/23/97/62/724239762.db2.gz DEZTWYOHUPJBGO-CYBMUJFWSA-N 1 1 358.404 3.324 20 10 FGCDMO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805183584 725055063 /nfs/dbraw/zinc/05/50/63/725055063.db2.gz DKTFBSABUKOCET-NSHDSACASA-N 1 1 360.285 3.229 20 10 FGCDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805183584 725055067 /nfs/dbraw/zinc/05/50/67/725055067.db2.gz DKTFBSABUKOCET-NSHDSACASA-N 1 1 360.285 3.229 20 10 FGCDMO C[N@@H+](CCn1cc(Br)cn1)Cc1c(O)ccc2ccncc21 ZINC000808242720 725189396 /nfs/dbraw/zinc/18/93/96/725189396.db2.gz JKSCXHZYJRPGTO-UHFFFAOYSA-N 1 1 361.243 3.031 20 10 FGCDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639633 725254979 /nfs/dbraw/zinc/25/49/79/725254979.db2.gz MOGNNCPAKBKYID-SSOJOUAXSA-N 1 1 356.535 3.448 20 10 FGCDMO Oc1c(F)cc(Cl)cc1CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000812779032 726810211 /nfs/dbraw/zinc/81/02/11/726810211.db2.gz TYTQLRBYSXFQSO-MRXNPFEDSA-N 1 1 350.821 3.363 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1 ZINC000814170646 726944235 /nfs/dbraw/zinc/94/42/35/726944235.db2.gz BCMQDURSIQLLHY-GOSISDBHSA-N 1 1 352.544 3.322 20 10 FGCDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000814176955 726944947 /nfs/dbraw/zinc/94/49/47/726944947.db2.gz WEXLVDJXEQSAAU-CZUORRHYSA-N 1 1 350.434 3.363 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(C(F)(F)F)c1O ZINC000815592909 727085258 /nfs/dbraw/zinc/08/52/58/727085258.db2.gz VQWABUPLULUJFC-LDYMZIIASA-N 1 1 370.293 3.225 20 10 FGCDMO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816498755 727168331 /nfs/dbraw/zinc/16/83/31/727168331.db2.gz KOHLIZFIGRGZEW-HUUCEWRRSA-N 1 1 369.912 3.175 20 10 FGCDMO CN(C)C(=O)C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816542396 727173526 /nfs/dbraw/zinc/17/35/26/727173526.db2.gz MWOMXCKAJCHOQQ-MRXNPFEDSA-N 1 1 350.821 3.494 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000824836205 729361112 /nfs/dbraw/zinc/36/11/12/729361112.db2.gz JRGZCVUAXGUBGQ-CYBMUJFWSA-N 1 1 362.817 3.344 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000824836207 729361217 /nfs/dbraw/zinc/36/12/17/729361217.db2.gz JRGZCVUAXGUBGQ-ZDUSSCGKSA-N 1 1 362.817 3.344 20 10 FGCDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000824894807 729364034 /nfs/dbraw/zinc/36/40/34/729364034.db2.gz KFZVBBREKIXFEH-AWEZNQCLSA-N 1 1 353.304 3.318 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1O ZINC000825124761 729371937 /nfs/dbraw/zinc/37/19/37/729371937.db2.gz XPBUAUSQOVMTDY-LLVKDONJSA-N 1 1 366.811 3.370 20 10 FGCDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825885628 729398384 /nfs/dbraw/zinc/39/83/84/729398384.db2.gz IQPRTONTKRRKBV-CQSZACIVSA-N 1 1 351.752 3.281 20 10 FGCDMO Cc1cc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)ccc1N1CCCCC1 ZINC000827820599 729435478 /nfs/dbraw/zinc/43/54/78/729435478.db2.gz CUHCGPQFLXPATF-IAGOWNOFSA-N 1 1 352.544 3.239 20 10 FGCDMO Cc1cc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)ccc1N1CCCCC1 ZINC000827820599 729435479 /nfs/dbraw/zinc/43/54/79/729435479.db2.gz CUHCGPQFLXPATF-IAGOWNOFSA-N 1 1 352.544 3.239 20 10 FGCDMO CC[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(F)cc1O ZINC000834840543 729838389 /nfs/dbraw/zinc/83/83/89/729838389.db2.gz KDAPDYUIHPQPSK-AWEZNQCLSA-N 1 1 369.234 3.196 20 10 FGCDMO CCCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000835024922 729850325 /nfs/dbraw/zinc/85/03/25/729850325.db2.gz DPZVWCGDIYGLSC-GHOSXJJBSA-N 1 1 350.528 3.055 20 10 FGCDMO CCCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000835024922 729850329 /nfs/dbraw/zinc/85/03/29/729850329.db2.gz DPZVWCGDIYGLSC-GHOSXJJBSA-N 1 1 350.528 3.055 20 10 FGCDMO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCCO1 ZINC000835083126 729857730 /nfs/dbraw/zinc/85/77/30/729857730.db2.gz ZHYYBPHFFJYXOJ-CYBMUJFWSA-N 1 1 370.877 3.161 20 10 FGCDMO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000840875756 730186625 /nfs/dbraw/zinc/18/66/25/730186625.db2.gz HASKXVODVQIMHU-JTQLQIEISA-N 1 1 353.406 3.275 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@](O)(c3ccc(Cl)cc3)C1)OCO2 ZINC000846009559 730918103 /nfs/dbraw/zinc/91/81/03/730918103.db2.gz CWHLFPKNYQCCBI-LJQANCHMSA-N 1 1 361.825 3.258 20 10 FGCDMO COc1cccc([C@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)c1O ZINC000846172170 730933472 /nfs/dbraw/zinc/93/34/72/730933472.db2.gz XBQOOROXVQYINT-VHSXEESVSA-N 1 1 352.232 3.365 20 10 FGCDMO [O-]c1ccc(Br)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000849350235 731251440 /nfs/dbraw/zinc/25/14/40/731251440.db2.gz MLEIHJZNUKZWPJ-CQSZACIVSA-N 1 1 353.304 3.366 20 10 FGCDMO [O-]c1ccc(Br)cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000849350233 731251528 /nfs/dbraw/zinc/25/15/28/731251528.db2.gz MLEIHJZNUKZWPJ-AWEZNQCLSA-N 1 1 353.304 3.366 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(Cl)c1 ZINC000850357692 731348189 /nfs/dbraw/zinc/34/81/89/731348189.db2.gz RVZGQVFFZFQSLC-KRWDZBQOSA-N 1 1 360.885 3.210 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(Cl)c1 ZINC000850357692 731348190 /nfs/dbraw/zinc/34/81/90/731348190.db2.gz RVZGQVFFZFQSLC-KRWDZBQOSA-N 1 1 360.885 3.210 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1 ZINC000850400371 731352504 /nfs/dbraw/zinc/35/25/04/731352504.db2.gz GXYWFVGNNXCGRP-QGZVFWFLSA-N 1 1 372.303 3.120 20 10 FGCDMO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(Br)c1O ZINC000850411825 731354007 /nfs/dbraw/zinc/35/40/07/731354007.db2.gz LOEYUBIBBHGUNR-BLLLJJGKSA-N 1 1 350.256 3.409 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1[O-] ZINC000853093962 731664149 /nfs/dbraw/zinc/66/41/49/731664149.db2.gz VHAWSDJWJXUGPV-ZDUSSCGKSA-N 1 1 353.850 3.165 20 10 FGCDMO Oc1cccc(Br)c1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000862301719 732806613 /nfs/dbraw/zinc/80/66/13/732806613.db2.gz IIFDBGOTUHJDQP-UHFFFAOYSA-N 1 1 354.166 3.044 20 10 FGCDMO Oc1cccc(Br)c1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000862365214 732816519 /nfs/dbraw/zinc/81/65/19/732816519.db2.gz MQRULKYBQTXRGB-CYBMUJFWSA-N 1 1 368.193 3.434 20 10 FGCDMO C[N@@H+](Cc1c(O)cccc1Br)C[C@](C)(O)c1ccccc1 ZINC000862397188 732824719 /nfs/dbraw/zinc/82/47/19/732824719.db2.gz CRSOTIMJFMJZDK-KRWDZBQOSA-N 1 1 350.256 3.494 20 10 FGCDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)cc(OC)c1O ZINC000862469117 732839192 /nfs/dbraw/zinc/83/91/92/732839192.db2.gz ZBEKHMOUIVQBLM-UHFFFAOYSA-N 1 1 358.866 3.401 20 10 FGCDMO C[C@@H](C[NH2+][C@@H](C)c1c(O)cccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000886646976 739278453 /nfs/dbraw/zinc/27/84/53/739278453.db2.gz ZLVQQAGYEHLKOF-STQMWFEESA-N 1 1 351.443 3.389 20 10 FGCDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)s1 ZINC000895359321 742402419 /nfs/dbraw/zinc/40/24/19/742402419.db2.gz QVQLQICPXFUWFX-SNVBAGLBSA-N 1 1 368.405 3.293 20 10 FGCDMO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3O)C2)s1 ZINC000895359321 742402422 /nfs/dbraw/zinc/40/24/22/742402422.db2.gz QVQLQICPXFUWFX-SNVBAGLBSA-N 1 1 368.405 3.293 20 10 FGCDMO [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895836685 742459730 /nfs/dbraw/zinc/45/97/30/742459730.db2.gz DUDGKZQEIKTMFU-GFCCVEGCSA-N 1 1 372.156 3.041 20 10 FGCDMO Oc1cccc(F)c1C[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000896639883 742575529 /nfs/dbraw/zinc/57/55/29/742575529.db2.gz YVJYXYFIUSDUPA-UHFFFAOYSA-N 1 1 350.821 3.311 20 10 FGCDMO COc1ccc(O)c(C[NH2+]C2(c3ncc(Br)cn3)CCC2)c1 ZINC000897351545 742671380 /nfs/dbraw/zinc/67/13/80/742671380.db2.gz JKMXDKNCOGFNDO-UHFFFAOYSA-N 1 1 364.243 3.122 20 10 FGCDMO C[C@@H](CNC(=O)N(C)Cc1ccccc1O)[N@@H+]1CCc2sccc2C1 ZINC000079506494 494469015 /nfs/dbraw/zinc/46/90/15/494469015.db2.gz ORRFVQKHZZTMJY-AWEZNQCLSA-N 1 1 359.495 3.042 20 10 FGCDMO C[C@@H](CNC(=O)N(C)Cc1ccccc1O)[N@H+]1CCc2sccc2C1 ZINC000079506494 494469017 /nfs/dbraw/zinc/46/90/17/494469017.db2.gz 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ZINC000268786747 496786015 /nfs/dbraw/zinc/78/60/15/496786015.db2.gz CUGZKNJJFHFPQF-CYBMUJFWSA-N 1 1 360.458 3.222 20 10 FGCDMO C[C@@H](CCN1CCN(C)CC1)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000274418368 497092872 /nfs/dbraw/zinc/09/28/72/497092872.db2.gz GLUNJBSTSYTNLV-SFHVURJKSA-N 1 1 353.510 3.175 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000278492231 497132982 /nfs/dbraw/zinc/13/29/82/497132982.db2.gz LPHXLJDWFVJRGX-LLVKDONJSA-N 1 1 361.354 3.376 20 10 FGCDMO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000278786891 497220773 /nfs/dbraw/zinc/22/07/73/497220773.db2.gz WCVUDZCHVVDEPQ-IBGZPJMESA-N 1 1 350.528 3.076 20 10 FGCDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000278786891 497220777 /nfs/dbraw/zinc/22/07/77/497220777.db2.gz WCVUDZCHVVDEPQ-IBGZPJMESA-N 1 1 350.528 3.076 20 10 FGCDMO COc1ccc(Cl)cc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278837847 497237858 /nfs/dbraw/zinc/23/78/58/497237858.db2.gz JJCIXAFUJYSHAI-UHFFFAOYSA-N 1 1 352.774 3.261 20 10 FGCDMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(C)cc1O ZINC000280022179 497622963 /nfs/dbraw/zinc/62/29/63/497622963.db2.gz HMJRJFDHDGZHGH-LJQANCHMSA-N 1 1 354.498 3.088 20 10 FGCDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280634951 497835474 /nfs/dbraw/zinc/83/54/74/497835474.db2.gz RKCXVYJHJHVFIV-AWEZNQCLSA-N 1 1 357.420 3.120 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H]2CCOC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000364621421 498055294 /nfs/dbraw/zinc/05/52/94/498055294.db2.gz VJFKMBAFLQBARP-AWEZNQCLSA-N 1 1 350.415 3.281 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000296758574 498184716 /nfs/dbraw/zinc/18/47/16/498184716.db2.gz KTRFAHUFEPGGNM-GOSISDBHSA-N 1 1 364.536 3.003 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000296758574 498184720 /nfs/dbraw/zinc/18/47/20/498184720.db2.gz KTRFAHUFEPGGNM-GOSISDBHSA-N 1 1 364.536 3.003 20 10 FGCDMO C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(N2CCCCCC2)cc1 ZINC000365157327 498326299 /nfs/dbraw/zinc/32/62/99/498326299.db2.gz RNHYTQYYGRFQCX-INIZCTEOSA-N 1 1 355.486 3.040 20 10 FGCDMO CCn1cnnc1[C@H]1C[N@@H+]([C@H](C)c2ccc(N3CCCCC3)cc2)CCO1 ZINC000365307622 498398249 /nfs/dbraw/zinc/39/82/49/498398249.db2.gz OUQIPUDZKZYRKL-YLJYHZDGSA-N 1 1 369.513 3.423 20 10 FGCDMO CCn1cnnc1[C@H]1C[N@H+]([C@H](C)c2ccc(N3CCCCC3)cc2)CCO1 ZINC000365307622 498398255 /nfs/dbraw/zinc/39/82/55/498398255.db2.gz OUQIPUDZKZYRKL-YLJYHZDGSA-N 1 1 369.513 3.423 20 10 FGCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297305054 498398578 /nfs/dbraw/zinc/39/85/78/498398578.db2.gz ALLRQIFQDWGCNF-CTXDPNEZSA-N 1 1 358.530 3.298 20 10 FGCDMO COc1cc2[nH+]c(N[C@H](C)c3ccc(N(C)C)cc3)nc(N)c2cc1OC ZINC000302397600 498476772 /nfs/dbraw/zinc/47/67/72/498476772.db2.gz KHNAOQABIQWLRX-GFCCVEGCSA-N 1 1 367.453 3.468 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000286942199 498562180 /nfs/dbraw/zinc/56/21/80/498562180.db2.gz GYIFEBJMPFNLIZ-ZJUUUORDSA-N 1 1 352.283 3.174 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cc(Cl)c(F)cc3O)cn2)CCO1 ZINC000294127593 498597593 /nfs/dbraw/zinc/59/75/93/498597593.db2.gz GUYRJCPLCKWHEV-GFCCVEGCSA-N 1 1 365.836 3.095 20 10 FGCDMO CN1CC[NH+](CC2(C)CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)CC1 ZINC000363891999 499042511 /nfs/dbraw/zinc/04/25/11/499042511.db2.gz VQSBNWQJLFNUSK-UHFFFAOYSA-N 1 1 367.537 3.395 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](N4CCCC4)[C@H]3C)cc2)CC1 ZINC000295724566 499089189 /nfs/dbraw/zinc/08/91/89/499089189.db2.gz HIICHLHZOWCJPF-GCJKJVERSA-N 1 1 357.542 3.360 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](N4CCCC4)[C@H]3C)cc2)CC1 ZINC000295724566 499089194 /nfs/dbraw/zinc/08/91/94/499089194.db2.gz HIICHLHZOWCJPF-GCJKJVERSA-N 1 1 357.542 3.360 20 10 FGCDMO Oc1ccc(Cl)cc1C[NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000364030810 499092571 /nfs/dbraw/zinc/09/25/71/499092571.db2.gz FFACQOYYBGLBJZ-JTQLQIEISA-N 1 1 360.767 3.052 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)ccc1[N+](=O)[O-] ZINC000284508674 499117946 /nfs/dbraw/zinc/11/79/46/499117946.db2.gz YETCYEYYXKQIOR-SMDDNHRTSA-N 1 1 361.225 3.325 20 10 FGCDMO COc1c(O)c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)ccc1[N+](=O)[O-] ZINC000284508674 499117948 /nfs/dbraw/zinc/11/79/48/499117948.db2.gz YETCYEYYXKQIOR-SMDDNHRTSA-N 1 1 361.225 3.325 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372854518 499184438 /nfs/dbraw/zinc/18/44/38/499184438.db2.gz DSDLZPMJRHAVQB-LAUBAEHRSA-N 1 1 353.510 3.003 20 10 FGCDMO CCN1CCC[C@@H](C[N@@H+](C)Cc2cc(OC)ccc2O)[C@@H]1c1cnn(C)c1 ZINC000370304968 499207588 /nfs/dbraw/zinc/20/75/88/499207588.db2.gz DQBILBUFVKTNQW-HRAATJIYSA-N 1 1 372.513 3.039 20 10 FGCDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000368136429 499268290 /nfs/dbraw/zinc/26/82/90/499268290.db2.gz VCFOKRQQYNSOPN-MRXNPFEDSA-N 1 1 358.276 3.148 20 10 FGCDMO CCc1nccc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)C2)n1 ZINC000372950958 499444438 /nfs/dbraw/zinc/44/44/38/499444438.db2.gz PMIVWZONHFOGKM-CYBMUJFWSA-N 1 1 372.425 3.041 20 10 FGCDMO CCc1nccc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(OC)c3O)C2)n1 ZINC000372950958 499444439 /nfs/dbraw/zinc/44/44/39/499444439.db2.gz PMIVWZONHFOGKM-CYBMUJFWSA-N 1 1 372.425 3.041 20 10 FGCDMO CCn1cnnc1[C@H]1C[N@H+]([C@@H](C)c2cc3c(cc2O)CCCC3)CCO1 ZINC000375752583 499551642 /nfs/dbraw/zinc/55/16/42/499551642.db2.gz BOSWSCVDHPFPTK-IFXJQAMLSA-N 1 1 356.470 3.017 20 10 FGCDMO CC[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(F)cc1O ZINC000375803670 499557104 /nfs/dbraw/zinc/55/71/04/499557104.db2.gz DVPZIPGFBWICJG-DLBZAZTESA-N 1 1 358.413 3.212 20 10 FGCDMO CC[C@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(F)cc1O ZINC000375852652 499562418 /nfs/dbraw/zinc/56/24/18/499562418.db2.gz ODUFGFLNCBEQMA-RDJZCZTQSA-N 1 1 374.460 3.497 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)[C@H]3CCCc4[nH+]ccn43)cc2)CC1 ZINC000377951118 499750453 /nfs/dbraw/zinc/75/04/53/499750453.db2.gz UOPILXBDIMBGFE-LJQANCHMSA-N 1 1 352.482 3.313 20 10 FGCDMO COCC[C@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000412491898 499858006 /nfs/dbraw/zinc/85/80/06/499858006.db2.gz XETGHQUUOCKHOH-KRWDZBQOSA-N 1 1 371.525 3.197 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CS[C@H](C)C2)C1 ZINC000412614892 499869082 /nfs/dbraw/zinc/86/90/82/499869082.db2.gz QVQVXQLFZXFYAT-HZPDHXFCSA-N 1 1 371.550 3.418 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)OC[C@H]2C)C1 ZINC000435614511 501002589 /nfs/dbraw/zinc/00/25/89/501002589.db2.gz FDTCPSBJENHOTJ-IAGOWNOFSA-N 1 1 369.509 3.044 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000471733900 502122631 /nfs/dbraw/zinc/12/26/31/502122631.db2.gz DCXJKWDSMRRGAF-JKSUJKDBSA-N 1 1 356.514 3.406 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)ccc21 ZINC000490427444 503172303 /nfs/dbraw/zinc/17/23/03/503172303.db2.gz ABZOMVGNUAYZHU-QGZVFWFLSA-N 1 1 369.509 3.119 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)ccc21 ZINC000518428231 503981991 /nfs/dbraw/zinc/98/19/91/503981991.db2.gz OPOOTOXPRRVOAV-IBGZPJMESA-N 1 1 369.509 3.213 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@@H](F)C2)C1 ZINC000557953269 505271155 /nfs/dbraw/zinc/27/11/55/505271155.db2.gz YUCFWEFMYMCRCW-CVEARBPZSA-N 1 1 357.473 3.415 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000825415547 608506123 /nfs/dbraw/zinc/50/61/23/608506123.db2.gz CGBGOCWLPNLNLN-UHFFFAOYSA-N 1 1 356.499 3.406 20 10 FGCDMO COc1cccc(O)c1C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000826217538 608568777 /nfs/dbraw/zinc/56/87/77/608568777.db2.gz RABBSOKBGYPYTI-UHFFFAOYSA-N 1 1 367.453 3.239 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)c1O ZINC000092754448 700441115 /nfs/dbraw/zinc/44/11/15/700441115.db2.gz QOVJAMAXTAHLBO-UHFFFAOYSA-N 1 1 350.459 3.091 20 10 FGCDMO COCCCOC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000093561474 700452585 /nfs/dbraw/zinc/45/25/85/700452585.db2.gz ZAYNIIVDWBDHHS-UHFFFAOYSA-N 1 1 358.276 3.172 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1[O-] ZINC000093683522 700452955 /nfs/dbraw/zinc/45/29/55/700452955.db2.gz RWIMARARUGJGIA-ZDUSSCGKSA-N 1 1 353.850 3.262 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1[O-] ZINC000093683522 700452957 /nfs/dbraw/zinc/45/29/57/700452957.db2.gz RWIMARARUGJGIA-ZDUSSCGKSA-N 1 1 353.850 3.262 20 10 FGCDMO Oc1c(Br)cccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683667 700453367 /nfs/dbraw/zinc/45/33/67/700453367.db2.gz SJJVCBIMCJIYFF-AWEZNQCLSA-N 1 1 353.304 3.463 20 10 FGCDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCCSc2nccs2)C1 ZINC000152254022 704956653 /nfs/dbraw/zinc/95/66/53/704956653.db2.gz DBBBUTZDGGNTFT-HNNXBMFYSA-N 1 1 370.588 3.437 20 10 FGCDMO CC[N@@H+](CCC(=O)NC1CCCC1)Cc1cc(Br)ccc1O ZINC000174425404 705503880 /nfs/dbraw/zinc/50/38/80/705503880.db2.gz ZUHYWYUUHODSOK-UHFFFAOYSA-N 1 1 369.303 3.426 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1 ZINC000180654239 705751801 /nfs/dbraw/zinc/75/18/01/705751801.db2.gz RTOHKSIITUATHM-HNNXBMFYSA-N 1 1 350.459 3.232 20 10 FGCDMO CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H]1CC[N@@H+](C)C1 ZINC000187671377 712751766 /nfs/dbraw/zinc/75/17/66/712751766.db2.gz DAZDWGQWGGFWBP-CQSZACIVSA-N 1 1 359.495 3.385 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+]2CCSC[C@@H]2CC(=O)OC)cc1F ZINC000769470259 723686670 /nfs/dbraw/zinc/68/66/70/723686670.db2.gz JUTUMJZJSKWJHU-HNNXBMFYSA-N 1 1 354.491 3.152 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCSC[C@@H]2CC(=O)OC)cc1F ZINC000769470259 723686672 /nfs/dbraw/zinc/68/66/72/723686672.db2.gz JUTUMJZJSKWJHU-HNNXBMFYSA-N 1 1 354.491 3.152 20 10 FGCDMO COCCOC1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781914580 724611733 /nfs/dbraw/zinc/61/17/33/724611733.db2.gz YRRJXSOZGKAOKN-UHFFFAOYSA-N 1 1 358.276 3.091 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000781909002 724611054 /nfs/dbraw/zinc/61/10/54/724611054.db2.gz NDGMOXWRZNKHRJ-ZDUSSCGKSA-N 1 1 364.287 3.261 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000781909002 724611058 /nfs/dbraw/zinc/61/10/58/724611058.db2.gz NDGMOXWRZNKHRJ-ZDUSSCGKSA-N 1 1 364.287 3.261 20 10 FGCDMO O=C(Nc1cccnc1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000731851997 722478505 /nfs/dbraw/zinc/47/85/05/722478505.db2.gz JCGXHKVFOPEUJT-MRXNPFEDSA-N 1 1 360.845 3.227 20 10 FGCDMO COc1ccc([C@@H](CNC(=O)C2=CC(=O)CS2)[NH+]2CCCCC2)cc1 ZINC000731866845 722478713 /nfs/dbraw/zinc/47/87/13/722478713.db2.gz RXDGENHVXGIPFA-QGZVFWFLSA-N 1 1 360.479 3.419 20 10 FGCDMO CCN(CC)c1ccc(CNC[C@H]2C[N@H+](CC(C)C)CCO2)cc1F ZINC000740001817 722534654 /nfs/dbraw/zinc/53/46/54/722534654.db2.gz JGPJRITXHSDFHV-SFHVURJKSA-N 1 1 351.510 3.118 20 10 FGCDMO CCN(CC)c1ccc(CNC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1F ZINC000740001817 722534655 /nfs/dbraw/zinc/53/46/55/722534655.db2.gz JGPJRITXHSDFHV-SFHVURJKSA-N 1 1 351.510 3.118 20 10 FGCDMO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(Br)c(F)cc1O ZINC000756377430 722963597 /nfs/dbraw/zinc/96/35/97/722963597.db2.gz VPQAPLOQGLEQQQ-SECBINFHSA-N 1 1 367.218 3.244 20 10 FGCDMO C[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C(=O)NC(C)(C)C ZINC000756490580 722965492 /nfs/dbraw/zinc/96/54/92/722965492.db2.gz WJFSTRXETRIBER-IUCAKERBSA-N 1 1 361.255 3.248 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000756739513 722969319 /nfs/dbraw/zinc/96/93/19/722969319.db2.gz OBTPEMFHIWFRPX-MGPLVRAMSA-N 1 1 367.804 3.356 20 10 FGCDMO COC(=O)c1cc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)c(C)s1 ZINC000756779489 722970008 /nfs/dbraw/zinc/97/00/08/722970008.db2.gz WUPOURVIAGELEP-UHFFFAOYSA-N 1 1 360.479 3.174 20 10 FGCDMO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)cc(Br)c2O)[C@@]12CCCO2 ZINC000759178625 723000996 /nfs/dbraw/zinc/00/09/96/723000996.db2.gz ZYSZNBGZZMHIDJ-UXLLHSPISA-N 1 1 370.287 3.279 20 10 FGCDMO OC[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)Cc1ccc(F)c(F)c1 ZINC000791005316 723204477 /nfs/dbraw/zinc/20/44/77/723204477.db2.gz SMYFZAZQDKUJDD-NSHDSACASA-N 1 1 359.775 3.404 20 10 FGCDMO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000792174893 723318609 /nfs/dbraw/zinc/31/86/09/723318609.db2.gz MJWMXZUKSFVARI-UHFFFAOYSA-N 1 1 364.852 3.492 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c(C(F)(F)F)c1 ZINC000792812875 723370531 /nfs/dbraw/zinc/37/05/31/723370531.db2.gz VWJSKVVKPJBRPM-AWEZNQCLSA-N 1 1 358.404 3.356 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c(C(F)(F)F)c1 ZINC000792841567 723373384 /nfs/dbraw/zinc/37/33/84/723373384.db2.gz AYUHKJONLQULFA-CVEARBPZSA-N 1 1 360.445 3.478 20 10 FGCDMO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3O)C2)C1 ZINC000793605072 723453997 /nfs/dbraw/zinc/45/39/97/723453997.db2.gz NGFKSWPSIVTCEV-LJQANCHMSA-N 1 1 350.434 3.364 20 10 FGCDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N2CCOCC2)cc1Cl ZINC000764965223 723464283 /nfs/dbraw/zinc/46/42/83/723464283.db2.gz UFOJYRRJTNDRSN-BEVDRBHNSA-N 1 1 363.933 3.454 20 10 FGCDMO CC[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc(F)cc1O ZINC000796715635 723651531 /nfs/dbraw/zinc/65/15/31/723651531.db2.gz HIJRCRJVVJAIJL-QGZVFWFLSA-N 1 1 351.443 3.436 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000768350292 723655015 /nfs/dbraw/zinc/65/50/15/723655015.db2.gz CUFYAMNOCQYBLG-HNNXBMFYSA-N 1 1 350.459 3.280 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)[C@@H](O)CO2 ZINC000768449638 723657872 /nfs/dbraw/zinc/65/78/72/723657872.db2.gz XJFIGYDHZGRMFQ-NSHDSACASA-N 1 1 371.277 3.135 20 10 FGCDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)o1 ZINC000769236937 723680305 /nfs/dbraw/zinc/68/03/05/723680305.db2.gz JEJOTTFYJPHVGZ-NSHDSACASA-N 1 1 352.232 3.226 20 10 FGCDMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c(C)[nH]1 ZINC000771066169 723727204 /nfs/dbraw/zinc/72/72/04/723727204.db2.gz OQISMIOAAJPDCK-MRXNPFEDSA-N 1 1 361.873 3.385 20 10 FGCDMO C[NH+]1CCN(c2ccc(CN[C@H]3COc4c3cccc4Cl)cc2)CC1 ZINC000771841011 723743386 /nfs/dbraw/zinc/74/33/86/723743386.db2.gz CITBSMBNHPVBGS-IBGZPJMESA-N 1 1 357.885 3.315 20 10 FGCDMO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc(Cl)c(Cl)cc1O ZINC000774255529 723875182 /nfs/dbraw/zinc/87/51/82/723875182.db2.gz CZZHILBKOTVYTL-SECBINFHSA-N 1 1 352.283 3.174 20 10 FGCDMO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774358716 723885311 /nfs/dbraw/zinc/88/53/11/723885311.db2.gz HJRMZTJEJWQMID-FUEDEBDSSA-N 1 1 364.269 3.170 20 10 FGCDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCCC2 ZINC000775030845 723954120 /nfs/dbraw/zinc/95/41/20/723954120.db2.gz VPIGNNTWJMBWHC-HUUCEWRRSA-N 1 1 350.415 3.136 20 10 FGCDMO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000775192611 723969985 /nfs/dbraw/zinc/96/99/85/723969985.db2.gz NLLOAUYPPKGMFZ-LJQANCHMSA-N 1 1 359.491 3.458 20 10 FGCDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)[nH]1 ZINC000775742622 724036532 /nfs/dbraw/zinc/03/65/32/724036532.db2.gz VQIBRATVEKIBJB-LBPRGKRZSA-N 1 1 365.275 3.269 20 10 FGCDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(Br)cc(C)c3O)C2)n1 ZINC000775742622 724036539 /nfs/dbraw/zinc/03/65/39/724036539.db2.gz VQIBRATVEKIBJB-LBPRGKRZSA-N 1 1 365.275 3.269 20 10 FGCDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)n1 ZINC000775742622 724036547 /nfs/dbraw/zinc/03/65/47/724036547.db2.gz VQIBRATVEKIBJB-LBPRGKRZSA-N 1 1 365.275 3.269 20 10 FGCDMO Cc1nc([C@H]2CCC[N@H+](Cc3cc(Br)cc(C)c3O)C2)n[nH]1 ZINC000775742622 724036554 /nfs/dbraw/zinc/03/65/54/724036554.db2.gz VQIBRATVEKIBJB-LBPRGKRZSA-N 1 1 365.275 3.269 20 10 FGCDMO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)n[nH]1 ZINC000775742622 724036558 /nfs/dbraw/zinc/03/65/58/724036558.db2.gz VQIBRATVEKIBJB-LBPRGKRZSA-N 1 1 365.275 3.269 20 10 FGCDMO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cc2c(cc1O)CCC2 ZINC000800851512 724237789 /nfs/dbraw/zinc/23/77/89/724237789.db2.gz DFSMOHITFIIYFK-UHFFFAOYSA-N 1 1 358.507 3.389 20 10 FGCDMO CCSc1cc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)ccn1 ZINC000778208778 724311407 /nfs/dbraw/zinc/31/14/07/724311407.db2.gz DGBCCNMFRBCJFC-UHFFFAOYSA-N 1 1 356.539 3.235 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](CO)Cc2ccccc2C)c1 ZINC000786158021 724963972 /nfs/dbraw/zinc/96/39/72/724963972.db2.gz NRFWYUILBNYNJR-INIZCTEOSA-N 1 1 364.283 3.465 20 10 FGCDMO CCOC(=O)[C@@H](CC)[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000787440378 725028365 /nfs/dbraw/zinc/02/83/65/725028365.db2.gz LUUKWDTVOISFAX-CQSZACIVSA-N 1 1 356.260 3.461 20 10 FGCDMO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000787440378 725028366 /nfs/dbraw/zinc/02/83/66/725028366.db2.gz LUUKWDTVOISFAX-CQSZACIVSA-N 1 1 356.260 3.461 20 10 FGCDMO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805183884 725055147 /nfs/dbraw/zinc/05/51/47/725055147.db2.gz MMHIFPPPVXVHLM-LLVKDONJSA-N 1 1 360.285 3.230 20 10 FGCDMO CCC[N@H+]1CC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805183884 725055151 /nfs/dbraw/zinc/05/51/51/725055151.db2.gz MMHIFPPPVXVHLM-LLVKDONJSA-N 1 1 360.285 3.230 20 10 FGCDMO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000806663324 725139913 /nfs/dbraw/zinc/13/99/13/725139913.db2.gz OUKCAGLBJMTSSM-UFBFGSQYSA-N 1 1 351.299 3.217 20 10 FGCDMO C[NH+](C)Cc1cnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000809538507 725245750 /nfs/dbraw/zinc/24/57/50/725245750.db2.gz OEBRCXRKKMSTEO-INIZCTEOSA-N 1 1 361.511 3.092 20 10 FGCDMO CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216931 725297364 /nfs/dbraw/zinc/29/73/64/725297364.db2.gz STPVGMCCNYEDKE-CJNGLKHVSA-N 1 1 359.436 3.088 20 10 FGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810261270 725300483 /nfs/dbraw/zinc/30/04/83/725300483.db2.gz IRMONKLLIAUBKV-IAGOWNOFSA-N 1 1 351.510 3.433 20 10 FGCDMO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810261270 725300484 /nfs/dbraw/zinc/30/04/84/725300484.db2.gz IRMONKLLIAUBKV-IAGOWNOFSA-N 1 1 351.510 3.433 20 10 FGCDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000811930278 725385066 /nfs/dbraw/zinc/38/50/66/725385066.db2.gz RPTBDSLSXQYZCC-GFCCVEGCSA-N 1 1 372.307 3.074 20 10 FGCDMO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000814170811 726944278 /nfs/dbraw/zinc/94/42/78/726944278.db2.gz DAAUZNLLSVLSAY-IBGZPJMESA-N 1 1 364.555 3.466 20 10 FGCDMO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815553811 727083662 /nfs/dbraw/zinc/08/36/62/727083662.db2.gz KSUWHJYJBMVFTP-UONOGXRCSA-N 1 1 360.420 3.418 20 10 FGCDMO C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1O ZINC000815568048 727084220 /nfs/dbraw/zinc/08/42/20/727084220.db2.gz TWRGSUBOENKPFZ-LBPRGKRZSA-N 1 1 352.356 3.378 20 10 FGCDMO CSCC[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C(=O)N(C)C ZINC000815627022 727087401 /nfs/dbraw/zinc/08/74/01/727087401.db2.gz QZLNGZBUEUGGNH-GWCFXTLKSA-N 1 1 364.433 3.272 20 10 FGCDMO COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816530745 727172155 /nfs/dbraw/zinc/17/21/55/727172155.db2.gz SYTYCPIWROPJRQ-INIZCTEOSA-N 1 1 355.793 3.025 20 10 FGCDMO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1(F)F ZINC000817549002 727263803 /nfs/dbraw/zinc/26/38/03/727263803.db2.gz GPMCEQSCNSFNQU-CZUORRHYSA-N 1 1 358.816 3.172 20 10 FGCDMO CC[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817903489 727287816 /nfs/dbraw/zinc/28/78/16/727287816.db2.gz PTIDVFZQFZIHOG-ROUUACIJSA-N 1 1 353.457 3.377 20 10 FGCDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823448472 729281837 /nfs/dbraw/zinc/28/18/37/729281837.db2.gz WWLAHMKOKDMDSD-QGZVFWFLSA-N 1 1 357.523 3.343 20 10 FGCDMO C[N@H+](Cc1cc(F)ccc1O)C[C@H](O)c1ccccc1Br ZINC000825305679 729378118 /nfs/dbraw/zinc/37/81/18/729378118.db2.gz PSQYFVLFGHQBLY-INIZCTEOSA-N 1 1 354.219 3.459 20 10 FGCDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715536 729392625 /nfs/dbraw/zinc/39/26/25/729392625.db2.gz ACFYXBHVDFTGJW-ZDUSSCGKSA-N 1 1 350.260 3.268 20 10 FGCDMO OC[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)CC[C@@H]1C(F)(F)F ZINC000825887625 729398543 /nfs/dbraw/zinc/39/85/43/729398543.db2.gz VSAFRKXYYQJENN-PWSUYJOCSA-N 1 1 368.193 3.147 20 10 FGCDMO O=C(CSC1CC1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095859 729424174 /nfs/dbraw/zinc/42/41/74/729424174.db2.gz MKZIIFOOVMVFHY-AWEZNQCLSA-N 1 1 354.903 3.022 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000827377528 729429586 /nfs/dbraw/zinc/42/95/86/729429586.db2.gz ZXJSGMMASBVXOW-BBRMVZONSA-N 1 1 350.415 3.090 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000827377528 729429587 /nfs/dbraw/zinc/42/95/87/729429587.db2.gz ZXJSGMMASBVXOW-BBRMVZONSA-N 1 1 350.415 3.090 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(F)cc(F)c1O ZINC000840881911 730187915 /nfs/dbraw/zinc/18/79/15/730187915.db2.gz LECXBFJWSGJEOL-QFYYESIMSA-N 1 1 350.340 3.266 20 10 FGCDMO Nc1ccc(NC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000841297468 730231051 /nfs/dbraw/zinc/23/10/51/730231051.db2.gz QPUATQDZXXCQLB-SFHVURJKSA-N 1 1 356.495 3.008 20 10 FGCDMO C[NH+](C)[C@H](CNC(=O)NCCc1ccc(N)cc1)c1ccccc1Cl ZINC000841641527 730261131 /nfs/dbraw/zinc/26/11/31/730261131.db2.gz WSJFYUQOYGQDOS-GOSISDBHSA-N 1 1 360.889 3.067 20 10 FGCDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000842644736 730523848 /nfs/dbraw/zinc/52/38/48/730523848.db2.gz UNVDAINHQOFLRW-QGZVFWFLSA-N 1 1 358.404 3.324 20 10 FGCDMO CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)NCc1cccs1 ZINC000843426225 730619426 /nfs/dbraw/zinc/61/94/26/730619426.db2.gz LVSPHAXKCSIAKL-CQSZACIVSA-N 1 1 356.850 3.431 20 10 FGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(Br)cn2)cc1 ZINC000844401083 730712957 /nfs/dbraw/zinc/71/29/57/730712957.db2.gz KHEZKBWCPDOLNQ-UHFFFAOYSA-N 1 1 364.287 3.421 20 10 FGCDMO O=C(NCCCSc1nccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000847487371 731058093 /nfs/dbraw/zinc/05/80/93/731058093.db2.gz DVNOXJNBNSIULT-MRXNPFEDSA-N 1 1 361.536 3.264 20 10 FGCDMO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)[nH]n2)c1O ZINC000848534992 731177323 /nfs/dbraw/zinc/17/73/23/731177323.db2.gz CLHYFNGJGFEOMP-GXSJLCMTSA-N 1 1 368.275 3.477 20 10 FGCDMO CCc1cccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c1O ZINC000848883243 731217149 /nfs/dbraw/zinc/21/71/49/731217149.db2.gz LBIHRKKQKIYCJL-UHFFFAOYSA-N 1 1 360.420 3.041 20 10 FGCDMO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc(C)cc(Br)c2O)C1 ZINC000850353773 731346912 /nfs/dbraw/zinc/34/69/12/731346912.db2.gz MJJQWZFFXHPVSM-BJJXKVORSA-N 1 1 372.303 3.119 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1 ZINC000850355431 731347390 /nfs/dbraw/zinc/34/73/90/731347390.db2.gz IPBJFDSGLCRPIV-VFGMZZLHSA-N 1 1 360.317 3.242 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(O)CCC(F)(F)CC2)c1 ZINC000850404621 731353022 /nfs/dbraw/zinc/35/30/22/731353022.db2.gz BQQCZRQGPWFPSZ-UHFFFAOYSA-N 1 1 364.230 3.493 20 10 FGCDMO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000850558318 731372899 /nfs/dbraw/zinc/37/28/99/731372899.db2.gz QBQILALNMFAEJX-SECBINFHSA-N 1 1 352.283 3.317 20 10 FGCDMO O=S1(=O)CCN(c2ccc(CNc3cc[nH+]c4ccsc43)cc2)CC1 ZINC000853791733 731754753 /nfs/dbraw/zinc/75/47/53/731754753.db2.gz PQRAWORYOSNXIG-UHFFFAOYSA-N 1 1 373.503 3.143 20 10 FGCDMO CCO[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000860241898 732480160 /nfs/dbraw/zinc/48/01/60/732480160.db2.gz MZTJELHLFTZIDH-FUHWJXTLSA-N 1 1 368.905 3.187 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000862427943 732832263 /nfs/dbraw/zinc/83/22/63/732832263.db2.gz IRHLMJJKKFEVIV-SFHVURJKSA-N 1 1 357.523 3.437 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000877697993 736707952 /nfs/dbraw/zinc/70/79/52/736707952.db2.gz TZGIAONNOUNINS-UHFFFAOYSA-N 1 1 367.877 3.423 20 10 FGCDMO CSc1nnc(CCC[NH2+]Cc2cc(F)cc(F)c2O)n1CC(C)C ZINC000882996354 737509424 /nfs/dbraw/zinc/50/94/24/737509424.db2.gz MZJCGIBCIAFIKQ-UHFFFAOYSA-N 1 1 370.469 3.362 20 10 FGCDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883027110 737513817 /nfs/dbraw/zinc/51/38/17/737513817.db2.gz PDXLEKDJBVTLRU-HNNXBMFYSA-N 1 1 354.219 3.425 20 10 FGCDMO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883114092 737525425 /nfs/dbraw/zinc/52/54/25/737525425.db2.gz LFOZFZOANBTVJG-LLVKDONJSA-N 1 1 355.406 3.315 20 10 FGCDMO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000883308881 737551935 /nfs/dbraw/zinc/55/19/35/737551935.db2.gz ZHGPOCJKRDSQNB-MNOVXSKESA-N 1 1 351.390 3.029 20 10 FGCDMO Cn1ccc([C@@H]2CCC[N@H+](Cc3cccc(Br)c3O)C2)n1 ZINC000896492880 742558531 /nfs/dbraw/zinc/55/85/31/742558531.db2.gz XILWFINOHDZVMJ-GFCCVEGCSA-N 1 1 350.260 3.268 20 10 FGCDMO Cn1ccc([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3O)C2)n1 ZINC000896492880 742558533 /nfs/dbraw/zinc/55/85/33/742558533.db2.gz XILWFINOHDZVMJ-GFCCVEGCSA-N 1 1 350.260 3.268 20 10 FGCDMO c1csc(C[C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000932195056 761079551 /nfs/dbraw/zinc/07/95/51/761079551.db2.gz NSGZRBMRDVZUPV-SFHVURJKSA-N 1 1 357.523 3.434 20 10 FGCDMO Cc1cnccc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000577045767 505651781 /nfs/dbraw/zinc/65/17/81/505651781.db2.gz GXRCRTPLCYWIOT-UHFFFAOYSA-N 1 1 362.477 3.172 20 10 FGCDMO C[C@H](CNC(=O)N(C)Cc1ccccc1O)[N@@H+]1CCc2sccc2C1 ZINC000079506499 494469665 /nfs/dbraw/zinc/46/96/65/494469665.db2.gz ORRFVQKHZZTMJY-CQSZACIVSA-N 1 1 359.495 3.042 20 10 FGCDMO C[C@H](CNC(=O)N(C)Cc1ccccc1O)[N@H+]1CCc2sccc2C1 ZINC000079506499 494469670 /nfs/dbraw/zinc/46/96/70/494469670.db2.gz ORRFVQKHZZTMJY-CQSZACIVSA-N 1 1 359.495 3.042 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)cc1F ZINC000122352751 494962118 /nfs/dbraw/zinc/96/21/18/494962118.db2.gz MOVGXFCVUHTSJR-UHFFFAOYSA-N 1 1 370.516 3.426 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000124105200 495234339 /nfs/dbraw/zinc/23/43/39/495234339.db2.gz TYVCRDAIBGDCQZ-SFHVURJKSA-N 1 1 353.514 3.450 20 10 FGCDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cc3c(cc2O)OCO3)c(C)c1 ZINC000119935844 495273201 /nfs/dbraw/zinc/27/32/01/495273201.db2.gz FIDRQTFUUYBPLN-UHFFFAOYSA-N 1 1 356.422 3.117 20 10 FGCDMO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cc3c(cc2O)OCO3)c(C)c1 ZINC000119935844 495273207 /nfs/dbraw/zinc/27/32/07/495273207.db2.gz FIDRQTFUUYBPLN-UHFFFAOYSA-N 1 1 356.422 3.117 20 10 FGCDMO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1[O-] ZINC000185414962 495569565 /nfs/dbraw/zinc/56/95/65/495569565.db2.gz ROOAUVGWWFBCIT-DZGCQCFKSA-N 1 1 371.319 3.042 20 10 FGCDMO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1[O-] ZINC000185414962 495569573 /nfs/dbraw/zinc/56/95/73/495569573.db2.gz ROOAUVGWWFBCIT-DZGCQCFKSA-N 1 1 371.319 3.042 20 10 FGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000176414705 495642845 /nfs/dbraw/zinc/64/28/45/495642845.db2.gz USFORVFSMACVJN-UXHICEINSA-N 1 1 356.514 3.055 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000179874890 495766259 /nfs/dbraw/zinc/76/62/59/495766259.db2.gz ZIFMQHJILJLTEM-UHFFFAOYSA-N 1 1 368.477 3.068 20 10 FGCDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183106589 495836443 /nfs/dbraw/zinc/83/64/43/495836443.db2.gz MXLAKZRRMPWQNO-LJQANCHMSA-N 1 1 371.477 3.456 20 10 FGCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176977272 495867468 /nfs/dbraw/zinc/86/74/68/495867468.db2.gz YLKIICRJGWCABY-INIZCTEOSA-N 1 1 357.498 3.133 20 10 FGCDMO COc1ccc(O)c([C@H](C)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c1 ZINC000186349870 495958892 /nfs/dbraw/zinc/95/88/92/495958892.db2.gz UAWOZILMKPEPNV-IFXJQAMLSA-N 1 1 369.465 3.024 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1O ZINC000184675828 496489201 /nfs/dbraw/zinc/48/92/01/496489201.db2.gz WTGGNIQEYXSOPL-ZDUSSCGKSA-N 1 1 372.856 3.477 20 10 FGCDMO C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(F)cc1O ZINC000184965169 496602750 /nfs/dbraw/zinc/60/27/50/496602750.db2.gz ARMKVVLIRQQFCE-HNNXBMFYSA-N 1 1 371.456 3.285 20 10 FGCDMO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2N2CCN(C)CC2)c(O)c1C ZINC000273432268 496804727 /nfs/dbraw/zinc/80/47/27/496804727.db2.gz WCNOLXTYFBMZFD-KRWDZBQOSA-N 1 1 354.498 3.007 20 10 FGCDMO Cc1ccn2cc(C[NH2+][C@H](C)c3ccc(N4CCOCC4)c(F)c3)nc2c1 ZINC000268949009 496832202 /nfs/dbraw/zinc/83/22/02/496832202.db2.gz XESFULUVQYVRNT-MRXNPFEDSA-N 1 1 368.456 3.469 20 10 FGCDMO COc1ccc([C@H]2[C@H](CNC(=O)Cc3ccc(N)cc3)CCC[N@H+]2C)cc1 ZINC000237384761 497228945 /nfs/dbraw/zinc/22/89/45/497228945.db2.gz MVRSLLICLAIDFE-AVRDEDQJSA-N 1 1 367.493 3.019 20 10 FGCDMO COc1cc(O)c(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000192921197 497247282 /nfs/dbraw/zinc/24/72/82/497247282.db2.gz WYSRRPHPKZZPFE-KRWDZBQOSA-N 1 1 356.466 3.021 20 10 FGCDMO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000190031116 497332247 /nfs/dbraw/zinc/33/22/47/497332247.db2.gz NWSKHJDZMZZEHN-NRFANRHFSA-N 1 1 353.418 3.253 20 10 FGCDMO O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000190031116 497332251 /nfs/dbraw/zinc/33/22/51/497332251.db2.gz NWSKHJDZMZZEHN-NRFANRHFSA-N 1 1 353.418 3.253 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1O ZINC000245608327 497472741 /nfs/dbraw/zinc/47/27/41/497472741.db2.gz AFDZYSLKCNCYAX-KGLIPLIRSA-N 1 1 358.301 3.169 20 10 FGCDMO COc1ccc(O)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000364449499 497962212 /nfs/dbraw/zinc/96/22/12/497962212.db2.gz USZVCQTVQUGHAJ-MUJYYYPQSA-N 1 1 362.470 3.421 20 10 FGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2ccc3nccnc3n2)C1 ZINC000301257502 498024264 /nfs/dbraw/zinc/02/42/64/498024264.db2.gz UGTFNQDEDRZRSS-OAHLLOKOSA-N 1 1 369.856 3.460 20 10 FGCDMO CCNC(=O)COc1cccc(C[NH2+][C@@H](CC)c2ccc(F)cc2O)c1 ZINC000285515964 498114277 /nfs/dbraw/zinc/11/42/77/498114277.db2.gz AXGWLYIEIMQWBR-SFHVURJKSA-N 1 1 360.429 3.287 20 10 FGCDMO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1O ZINC000285537300 498121394 /nfs/dbraw/zinc/12/13/94/498121394.db2.gz BZEUWIMDBMBCBR-QGZVFWFLSA-N 1 1 366.458 3.023 20 10 FGCDMO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)cc1O ZINC000285932257 498244752 /nfs/dbraw/zinc/24/47/52/498244752.db2.gz CYGFBMAKDOXVIF-QZTJIDSGSA-N 1 1 357.429 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O=C(NCC(F)(F)F)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792167383 723317317 /nfs/dbraw/zinc/31/73/17/723317317.db2.gz RIHFVSGQFGQUJL-UHFFFAOYSA-N 1 1 368.758 3.075 20 10 FGCDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000764357244 723408142 /nfs/dbraw/zinc/40/81/42/723408142.db2.gz XUITZJZYXRZRKS-SFHVURJKSA-N 1 1 361.555 3.121 20 10 FGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N(CC)CC)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000793362443 723429825 /nfs/dbraw/zinc/42/98/25/723429825.db2.gz SWKHXBXKRBLHPE-YLJYHZDGSA-N 1 1 350.478 3.442 20 10 FGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(CC)CC)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000793362443 723429827 /nfs/dbraw/zinc/42/98/27/723429827.db2.gz SWKHXBXKRBLHPE-YLJYHZDGSA-N 1 1 350.478 3.442 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1F ZINC000796035262 723618327 /nfs/dbraw/zinc/61/83/27/723618327.db2.gz CSIULIHMNGITNF-UZLBHIALSA-N 1 1 350.478 3.442 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1F ZINC000796035262 723618328 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CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000769482558 723686865 /nfs/dbraw/zinc/68/68/65/723686865.db2.gz GZIMFKYQJNHACQ-MOPGFXCFSA-N 1 1 370.534 3.460 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000769482734 723686921 /nfs/dbraw/zinc/68/69/21/723686921.db2.gz GZIMFKYQJNHACQ-RTBURBONSA-N 1 1 370.534 3.460 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000769482734 723686922 /nfs/dbraw/zinc/68/69/22/723686922.db2.gz GZIMFKYQJNHACQ-RTBURBONSA-N 1 1 370.534 3.460 20 10 FGCDMO CCC[C@H]1CN(Cc2cccc(Br)c2O)CC[N@@H+]1CCOC ZINC000770284348 723710390 /nfs/dbraw/zinc/71/03/90/723710390.db2.gz OYSLRHBEDBIBFF-HNNXBMFYSA-N 1 1 371.319 3.087 20 10 FGCDMO CCC[C@H]1CN(Cc2cccc(Br)c2O)CC[N@H+]1CCOC ZINC000770284348 723710392 /nfs/dbraw/zinc/71/03/92/723710392.db2.gz OYSLRHBEDBIBFF-HNNXBMFYSA-N 1 1 371.319 3.087 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C(N)=O)c1ccccc1 ZINC000772797649 723768309 /nfs/dbraw/zinc/76/83/09/723768309.db2.gz HWEVMEIEGKWISR-INIZCTEOSA-N 1 1 363.255 3.203 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C(N)=O)c1ccccc1 ZINC000772797649 723768311 /nfs/dbraw/zinc/76/83/11/723768311.db2.gz HWEVMEIEGKWISR-INIZCTEOSA-N 1 1 363.255 3.203 20 10 FGCDMO COC(=O)c1sccc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775254412 723973952 /nfs/dbraw/zinc/97/39/52/723973952.db2.gz IMJSDXXULNKPDY-CQSZACIVSA-N 1 1 360.479 3.222 20 10 FGCDMO Cc1ccncc1N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000798961708 723980529 /nfs/dbraw/zinc/98/05/29/723980529.db2.gz CKTYKBPXFCYTIO-UHFFFAOYSA-N 1 1 362.271 3.180 20 10 FGCDMO Oc1ccc(Br)cc1C[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000776026585 724098921 /nfs/dbraw/zinc/09/89/21/724098921.db2.gz PPNVHTDGZVYDNJ-UHFFFAOYSA-N 1 1 359.227 3.025 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000805071481 725048005 /nfs/dbraw/zinc/04/80/05/725048005.db2.gz VENYCXZPRXRYCY-ZIAGYGMSSA-N 1 1 358.269 3.125 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000805071481 725048008 /nfs/dbraw/zinc/04/80/08/725048008.db2.gz VENYCXZPRXRYCY-ZIAGYGMSSA-N 1 1 358.269 3.125 20 10 FGCDMO C[N@H+](CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCCC1 ZINC000805078379 725048371 /nfs/dbraw/zinc/04/83/71/725048371.db2.gz ATDQXVURGFATQX-UHFFFAOYSA-N 1 1 360.285 3.373 20 10 FGCDMO C[N@@H+](CCNC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCCC1 ZINC000805078379 725048374 /nfs/dbraw/zinc/04/83/74/725048374.db2.gz ATDQXVURGFATQX-UHFFFAOYSA-N 1 1 360.285 3.373 20 10 FGCDMO C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)(C)C[NH+](C)C ZINC000805191561 725055695 /nfs/dbraw/zinc/05/56/95/725055695.db2.gz KBWXETIAVXJASV-SNVBAGLBSA-N 1 1 362.301 3.475 20 10 FGCDMO COc1ccc(O)c(C[NH2+]Cc2nc3ccccn3c2Br)c1 ZINC000809620325 725252976 /nfs/dbraw/zinc/25/29/76/725252976.db2.gz PHRYEHCVCMONBQ-UHFFFAOYSA-N 1 1 362.227 3.101 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000810252225 725300075 /nfs/dbraw/zinc/30/00/75/725300075.db2.gz AMPBKARKTIRIGT-KGLIPLIRSA-N 1 1 360.889 3.108 20 10 FGCDMO C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1O ZINC000815568047 727084310 /nfs/dbraw/zinc/08/43/10/727084310.db2.gz TWRGSUBOENKPFZ-GFCCVEGCSA-N 1 1 352.356 3.378 20 10 FGCDMO CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000816549016 727174141 /nfs/dbraw/zinc/17/41/41/727174141.db2.gz AGMYOWGENFFYLI-SUMWQHHRSA-N 1 1 358.885 3.411 20 10 FGCDMO Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2=O)cc1 ZINC000816591322 727178750 /nfs/dbraw/zinc/17/87/50/727178750.db2.gz BBCGFHYSPXMXKG-KRWDZBQOSA-N 1 1 362.832 3.384 20 10 FGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000819532427 727381271 /nfs/dbraw/zinc/38/12/71/727381271.db2.gz WJCQMXYQTXSOMT-HZPDHXFCSA-N 1 1 361.486 3.414 20 10 FGCDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824906998 729364588 /nfs/dbraw/zinc/36/45/88/729364588.db2.gz ULHDFQGBBOUCNN-CQSZACIVSA-N 1 1 350.260 3.398 20 10 FGCDMO COc1cccc(O)c1C[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000825305435 729377816 /nfs/dbraw/zinc/37/78/16/729377816.db2.gz IXZPTMHRGSGQMW-MRXNPFEDSA-N 1 1 366.255 3.329 20 10 FGCDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(Br)c2O)C[C@@H]1C ZINC000827545167 729431559 /nfs/dbraw/zinc/43/15/59/729431559.db2.gz VEWFHSCQKXISHJ-WCQYABFASA-N 1 1 356.260 3.094 20 10 FGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2O)C[C@@H]1C ZINC000827545167 729431560 /nfs/dbraw/zinc/43/15/60/729431560.db2.gz VEWFHSCQKXISHJ-WCQYABFASA-N 1 1 356.260 3.094 20 10 FGCDMO Cc1cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000829290498 729472071 /nfs/dbraw/zinc/47/20/71/729472071.db2.gz BAYAHURJBLSUBA-IBGZPJMESA-N 1 1 364.555 3.384 20 10 FGCDMO C[N@H+](Cc1cc(F)ccc1O)C[C@@H](O)c1cccc(Br)c1 ZINC000840958081 730197139 /nfs/dbraw/zinc/19/71/39/730197139.db2.gz IEUSVBHRXHQVCD-MRXNPFEDSA-N 1 1 354.219 3.459 20 10 FGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2cn(C)nc2-c2cccs2)cc1 ZINC000841045163 730205719 /nfs/dbraw/zinc/20/57/19/730205719.db2.gz JAAZGKONPYJUFN-KRWDZBQOSA-N 1 1 355.511 3.004 20 10 FGCDMO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848521841 731174746 /nfs/dbraw/zinc/17/47/46/731174746.db2.gz SHDHSPSULRFIQS-NEPJUHHUSA-N 1 1 357.292 3.156 20 10 FGCDMO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc(C)cc(Br)c2O)C1 ZINC000850353776 731347048 /nfs/dbraw/zinc/34/70/48/731347048.db2.gz MJJQWZFFXHPVSM-XPKDYRNWSA-N 1 1 372.303 3.119 20 10 FGCDMO CC[C@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccc(C(F)(F)F)cc1O ZINC000850541385 731371239 /nfs/dbraw/zinc/37/12/39/731371239.db2.gz VVXUSDPFUQOHRX-JTQLQIEISA-N 1 1 359.373 3.207 20 10 FGCDMO COc1ccccc1[C@H](O)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000853091913 731663761 /nfs/dbraw/zinc/66/37/61/731663761.db2.gz AQPMKYZNQDDHPF-OAHLLOKOSA-N 1 1 366.255 3.295 20 10 FGCDMO [O-]c1cccc(Br)c1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000858196225 732191579 /nfs/dbraw/zinc/19/15/79/732191579.db2.gz KVNNYQPDFBOMLT-UHFFFAOYSA-N 1 1 353.304 3.366 20 10 FGCDMO CN(C)c1ccc(CNc2cc3n(n2)CC[N@@H+](C)C3)c(C(F)(F)F)c1 ZINC000865846118 733281031 /nfs/dbraw/zinc/28/10/31/733281031.db2.gz WTJZWJXQZKTUBW-UHFFFAOYSA-N 1 1 353.392 3.025 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1cc(F)cc(F)c1O ZINC000866474857 733354645 /nfs/dbraw/zinc/35/46/45/733354645.db2.gz ULLQBPQMGWVRKW-GFCCVEGCSA-N 1 1 365.449 3.469 20 10 FGCDMO O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1Cc2cccc(O)c2C1 ZINC000871200930 733921539 /nfs/dbraw/zinc/92/15/39/733921539.db2.gz NIUPUYJSZFPMPC-IBGZPJMESA-N 1 1 354.475 3.025 20 10 FGCDMO Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000882979506 737508428 /nfs/dbraw/zinc/50/84/28/737508428.db2.gz BVNQUZVPIQUHOY-JTQLQIEISA-N 1 1 356.239 3.225 20 10 FGCDMO C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1c(O)cccc1F ZINC000886509056 739263453 /nfs/dbraw/zinc/26/34/53/739263453.db2.gz YYJQFYNEFAYAFF-AWEZNQCLSA-N 1 1 351.443 3.187 20 10 FGCDMO COc1c(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895788506 742454233 /nfs/dbraw/zinc/45/42/33/742454233.db2.gz XMMKUMZJWHVIFW-NHYWBVRUSA-N 1 1 360.332 3.473 20 10 FGCDMO COc1c(O)c(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895788506 742454234 /nfs/dbraw/zinc/45/42/34/742454234.db2.gz XMMKUMZJWHVIFW-NHYWBVRUSA-N 1 1 360.332 3.473 20 10 FGCDMO CC[C@@](O)(CCC(F)(F)F)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000903255545 743830940 /nfs/dbraw/zinc/83/09/40/743830940.db2.gz BYISZYIMXBDHLD-BDJLRTHQSA-N 1 1 363.376 3.313 20 10 FGCDMO COc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)cc1Cn1cccn1 ZINC000922472188 758930627 /nfs/dbraw/zinc/93/06/27/758930627.db2.gz LEHOFEUCFBIIRS-UHFFFAOYSA-N 1 1 354.479 3.175 20 10 FGCDMO N[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2 ZINC000925578113 759508323 /nfs/dbraw/zinc/50/83/23/759508323.db2.gz SHLVIADTHONWAC-IRXDYDNUSA-N 1 1 351.441 3.116 20 10 FGCDMO FC1(F)C[C@@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)C1(F)F ZINC000931909583 761000855 /nfs/dbraw/zinc/00/08/55/761000855.db2.gz SBXVWEJLLWKPTG-MRXNPFEDSA-N 1 1 358.379 3.390 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ccon2)C1 ZINC000577343181 505708711 /nfs/dbraw/zinc/70/87/11/505708711.db2.gz NGUFSGFFBALIKJ-OAHLLOKOSA-N 1 1 366.465 3.273 20 10 FGCDMO COc1cccc(C[N@H+]2CCCN(C(=O)c3ccccc3Cl)CC2)c1O ZINC000092452832 494629897 /nfs/dbraw/zinc/62/98/97/494629897.db2.gz UKPNSDCUXLAMFS-UHFFFAOYSA-N 1 1 374.868 3.402 20 10 FGCDMO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H](O)Cn1cccn1 ZINC000179646659 495676048 /nfs/dbraw/zinc/67/60/48/495676048.db2.gz GXARXJSVRAFLEN-XLIONFOSSA-N 1 1 351.450 3.213 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741571 495713327 /nfs/dbraw/zinc/71/33/27/495713327.db2.gz JBSCAPRFYLZTBJ-CQSZACIVSA-N 1 1 350.459 3.138 20 10 FGCDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183109714 495839301 /nfs/dbraw/zinc/83/93/01/495839301.db2.gz SDJGVCQUWSFABK-QGZVFWFLSA-N 1 1 354.450 3.059 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2C(=O)Nc2cc(C)ccc2OC)c1 ZINC000180305239 495944670 /nfs/dbraw/zinc/94/46/70/495944670.db2.gz XYKGWSPLBRDWGC-GOSISDBHSA-N 1 1 370.449 3.321 20 10 FGCDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)cc(C(C)=O)c1O)CC2 ZINC000177290545 496008037 /nfs/dbraw/zinc/00/80/37/496008037.db2.gz XPMKZJRRGOHQEY-SJORKVTESA-N 1 1 367.873 3.000 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000180683118 496102335 /nfs/dbraw/zinc/10/23/35/496102335.db2.gz AFDZYSLKCNCYAX-UONOGXRCSA-N 1 1 358.301 3.169 20 10 FGCDMO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(Br)cc(C)c3O)[C@H]2C1 ZINC000180779144 496143335 /nfs/dbraw/zinc/14/33/35/496143335.db2.gz VMUWOHAMHYOTQF-OWCLPIDISA-N 1 1 370.287 3.231 20 10 FGCDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(Br)cc(C)c3O)[C@H]2C1 ZINC000180779144 496143341 /nfs/dbraw/zinc/14/33/41/496143341.db2.gz VMUWOHAMHYOTQF-OWCLPIDISA-N 1 1 370.287 3.231 20 10 FGCDMO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(Br)cc1O ZINC000184878289 496569113 /nfs/dbraw/zinc/56/91/13/496569113.db2.gz SMRKXVNOAFINHO-LLVKDONJSA-N 1 1 365.275 3.323 20 10 FGCDMO C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1ccc(F)cc1O ZINC000273426769 496802761 /nfs/dbraw/zinc/80/27/61/496802761.db2.gz UMXBATUBECLZHD-VIFPVBQESA-N 1 1 354.307 3.444 20 10 FGCDMO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000273592713 496849513 /nfs/dbraw/zinc/84/95/13/496849513.db2.gz PORSYPDTLRJYOT-SGTLLEGYSA-N 1 1 355.413 3.021 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000273612116 496853931 /nfs/dbraw/zinc/85/39/31/496853931.db2.gz WGZSSRNUPPACGJ-OLZOCXBDSA-N 1 1 366.458 3.193 20 10 FGCDMO COc1cc(O)c(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1OC ZINC000188657962 496868031 /nfs/dbraw/zinc/86/80/31/496868031.db2.gz FTIKMNXIOWLCJG-UHFFFAOYSA-N 1 1 350.415 3.002 20 10 FGCDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cc3ccc(N)cc3)cc2)C1 ZINC000269258945 496907129 /nfs/dbraw/zinc/90/71/29/496907129.db2.gz LNVKRZHQUUUTNX-MRXNPFEDSA-N 1 1 353.466 3.171 20 10 FGCDMO CC[N@@H+](C)[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000574892085 505877006 /nfs/dbraw/zinc/87/70/06/505877006.db2.gz FFDASHIOVXWJJY-HXUWFJFHSA-N 1 1 353.466 3.171 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278104344 497005713 /nfs/dbraw/zinc/00/57/13/497005713.db2.gz ANARXLSHNNWJLM-BZNIZROVSA-N 1 1 364.373 3.050 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+]Cc3ccc(F)nc3C)cc2F)CC1 ZINC000278315043 497072658 /nfs/dbraw/zinc/07/26/58/497072658.db2.gz DMPDWBUZHBVVCE-UHFFFAOYSA-N 1 1 360.452 3.100 20 10 FGCDMO COc1c(O)c(C[NH2+]C2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278568350 497154895 /nfs/dbraw/zinc/15/48/95/497154895.db2.gz CKXRYPDKUCINQR-UHFFFAOYSA-N 1 1 357.410 3.068 20 10 FGCDMO O=S1(=O)CC[C@@H]([N@H+](Cc2cc(-c3ccccc3)ccc2O)C2CC2)C1 ZINC000271061293 497256026 /nfs/dbraw/zinc/25/60/26/497256026.db2.gz GNPIFCNKKFMULM-LJQANCHMSA-N 1 1 357.475 3.211 20 10 FGCDMO O=S1(=O)CC[C@@H]([N@@H+](Cc2cc(-c3ccccc3)ccc2O)C2CC2)C1 ZINC000271061293 497256029 /nfs/dbraw/zinc/25/60/29/497256029.db2.gz GNPIFCNKKFMULM-LJQANCHMSA-N 1 1 357.475 3.211 20 10 FGCDMO COc1c(O)c(C[NH2+]Cc2ccnc(OC3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000278891941 497257619 /nfs/dbraw/zinc/25/76/19/497257619.db2.gz PTKMCEMTDJHGMU-UHFFFAOYSA-N 1 1 373.409 3.315 20 10 FGCDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193010468 497273557 /nfs/dbraw/zinc/27/35/57/497273557.db2.gz TXMTXQFVAHNCDP-UHFFFAOYSA-N 1 1 354.450 3.082 20 10 FGCDMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278936636 497273886 /nfs/dbraw/zinc/27/38/86/497273886.db2.gz WZEQGYUKHWEDDC-NSHDSACASA-N 1 1 362.382 3.177 20 10 FGCDMO COc1cccc(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000271182632 497284000 /nfs/dbraw/zinc/28/40/00/497284000.db2.gz PGGAPULQATZNLT-UHFFFAOYSA-N 1 1 354.450 3.137 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000245715692 497513671 /nfs/dbraw/zinc/51/36/71/497513671.db2.gz CTUMEXXLTHHVCX-UYAOXDASSA-N 1 1 356.514 3.212 20 10 FGCDMO C[C@@H](NC(=O)NCc1ccccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272301844 497591554 /nfs/dbraw/zinc/59/15/54/497591554.db2.gz IWPXJAUSEUEFGH-APWZRJJASA-N 1 1 353.466 3.102 20 10 FGCDMO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000276754420 497644132 /nfs/dbraw/zinc/64/41/32/497644132.db2.gz BBXWKYYHKCNKFK-QGZVFWFLSA-N 1 1 373.453 3.405 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1 ZINC000276754420 497644136 /nfs/dbraw/zinc/64/41/36/497644136.db2.gz BBXWKYYHKCNKFK-QGZVFWFLSA-N 1 1 373.453 3.405 20 10 FGCDMO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272521907 497650122 /nfs/dbraw/zinc/65/01/22/497650122.db2.gz NSSYCBXLNKIFPB-IEBWSBKVSA-N 1 1 367.493 3.444 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@H](C)O[C@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000295953211 497866515 /nfs/dbraw/zinc/86/65/15/497866515.db2.gz ITXWYSSWNXVRFV-NPPFBWRTSA-N 1 1 374.525 3.070 20 10 FGCDMO Cc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)ncn1 ZINC000581348450 505967462 /nfs/dbraw/zinc/96/74/62/505967462.db2.gz UCSPMCQUUGDRAA-UHFFFAOYSA-N 1 1 363.465 3.145 20 10 FGCDMO OC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@@H]1C(F)(F)F ZINC000289591240 498208003 /nfs/dbraw/zinc/20/80/03/498208003.db2.gz KJZVQRLGQQMHCP-PWSUYJOCSA-N 1 1 368.193 3.147 20 10 FGCDMO Cc1nc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c2n1CCCC2 ZINC000360062666 498242226 /nfs/dbraw/zinc/24/22/26/498242226.db2.gz WHLJFCQYEYYSPH-OAHLLOKOSA-N 1 1 372.488 3.354 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000360777382 498306630 /nfs/dbraw/zinc/30/66/30/498306630.db2.gz YJSLITNSMZHRCQ-PKOBYXMFSA-N 1 1 357.429 3.118 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000360777382 498306635 /nfs/dbraw/zinc/30/66/35/498306635.db2.gz YJSLITNSMZHRCQ-PKOBYXMFSA-N 1 1 357.429 3.118 20 10 FGCDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293779600 498487222 /nfs/dbraw/zinc/48/72/22/498487222.db2.gz QBKWYCZZYGFGTB-DENIHFKCSA-N 1 1 367.537 3.292 20 10 FGCDMO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Br)ccc1O ZINC000282461766 498521815 /nfs/dbraw/zinc/52/18/15/498521815.db2.gz FZPOMLSZUONXTC-JTQLQIEISA-N 1 1 353.264 3.352 20 10 FGCDMO COc1c(O)c(C[N@H+]2CC[C@H](n3cc4ccccc4n3)C2)ccc1[N+](=O)[O-] ZINC000365793349 498642697 /nfs/dbraw/zinc/64/26/97/498642697.db2.gz GEWICWVSSYURPW-HNNXBMFYSA-N 1 1 368.393 3.106 20 10 FGCDMO COCCCCc1ccc[nH+]c1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000291142771 498813377 /nfs/dbraw/zinc/81/33/77/498813377.db2.gz YESDSSAJXGZSLF-UHFFFAOYSA-N 1 1 361.398 3.285 20 10 FGCDMO Cn1cc([C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CC23CCOCC3)cn1 ZINC000295085860 498904351 /nfs/dbraw/zinc/90/43/51/498904351.db2.gz SQJVTNYRUGJLAA-INIZCTEOSA-N 1 1 361.873 3.175 20 10 FGCDMO COc1ccc(N2CCC([N@H+](C)Cc3ncnn3C(C)(C)C)CC2)cc1 ZINC000366991378 499130477 /nfs/dbraw/zinc/13/04/77/499130477.db2.gz YCSQKJPFZGQVHP-UHFFFAOYSA-N 1 1 357.502 3.143 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3ncnn3C(C)(C)C)CC2)cc1 ZINC000366991378 499130479 /nfs/dbraw/zinc/13/04/79/499130479.db2.gz YCSQKJPFZGQVHP-UHFFFAOYSA-N 1 1 357.502 3.143 20 10 FGCDMO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)CCN1C ZINC000371221113 499299525 /nfs/dbraw/zinc/29/95/25/499299525.db2.gz VQYQDWKOMNAVJL-OWCLPIDISA-N 1 1 371.447 3.484 20 10 FGCDMO COc1cc(O)c(C[N@@H+]2Cc3ccccc3[C@H](n3cccn3)C2)cc1OC ZINC000371357960 499315019 /nfs/dbraw/zinc/31/50/19/499315019.db2.gz UKKOORPVHKMHMW-GOSISDBHSA-N 1 1 365.433 3.211 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1 ZINC000368655286 499317952 /nfs/dbraw/zinc/31/79/52/499317952.db2.gz JIOCECHMSPWTLD-MRXNPFEDSA-N 1 1 366.465 3.288 20 10 FGCDMO CC[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(Br)ccc1[O-] ZINC000372344513 499423019 /nfs/dbraw/zinc/42/30/19/499423019.db2.gz GCRSTHOVNYTPCE-OCCSQVGLSA-N 1 1 350.260 3.476 20 10 FGCDMO C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000373520698 499474550 /nfs/dbraw/zinc/47/45/50/499474550.db2.gz ISFMEFGYJCGSMS-FQVISZRSSA-N 1 1 357.542 3.315 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000375256972 499499832 /nfs/dbraw/zinc/49/98/32/499499832.db2.gz WJWJFTFGDMOMMZ-HNNXBMFYSA-N 1 1 372.440 3.449 20 10 FGCDMO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000375399275 499514039 /nfs/dbraw/zinc/51/40/39/499514039.db2.gz AOEMATFBWIGSRP-FSSWDIPSSA-N 1 1 358.526 3.429 20 10 FGCDMO Cc1cc(Cl)cc(C[NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1O ZINC000376843817 499640139 /nfs/dbraw/zinc/64/01/39/499640139.db2.gz HQMFMVWBEZAOKR-NSHDSACASA-N 1 1 374.794 3.360 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H]2CCSC2)C1 ZINC000436045792 501063248 /nfs/dbraw/zinc/06/32/48/501063248.db2.gz PVQCCKVOKXXUDF-INIZCTEOSA-N 1 1 371.550 3.372 20 10 FGCDMO CCN(C[C@@H](C)OC)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000462863182 502604170 /nfs/dbraw/zinc/60/41/70/502604170.db2.gz ROPCJCWHIOPUCG-QGZVFWFLSA-N 1 1 371.525 3.291 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@]3(CCc4ccccc4O3)C1)[C@H](O)CO2 ZINC000530102850 503838587 /nfs/dbraw/zinc/83/85/87/503838587.db2.gz BIOLUVBMFNQIMK-DENIHFKCSA-N 1 1 367.445 3.178 20 10 FGCDMO CC[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[N@@H+](C)Cc1ccccc1 ZINC000559276099 504817355 /nfs/dbraw/zinc/81/73/55/504817355.db2.gz NSMCNBKBPQZXGS-LJQANCHMSA-N 1 1 367.493 3.389 20 10 FGCDMO Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000833010055 601399561 /nfs/dbraw/zinc/39/95/61/601399561.db2.gz BGXGCSMJHRBOBK-MRXNPFEDSA-N 1 1 365.433 3.413 20 10 FGCDMO Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000833010055 601399562 /nfs/dbraw/zinc/39/95/62/601399562.db2.gz BGXGCSMJHRBOBK-MRXNPFEDSA-N 1 1 365.433 3.413 20 10 FGCDMO CC(C)NC(=O)C[N@@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000008184026 695581269 /nfs/dbraw/zinc/58/12/69/695581269.db2.gz GMZXTIYRTAZFNX-UHFFFAOYSA-N 1 1 365.271 3.264 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000045751412 695826204 /nfs/dbraw/zinc/82/62/04/695826204.db2.gz WLEGPPWULRTLQH-UHFFFAOYSA-N 1 1 357.523 3.437 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000045751412 695826208 /nfs/dbraw/zinc/82/62/08/695826208.db2.gz WLEGPPWULRTLQH-UHFFFAOYSA-N 1 1 357.523 3.437 20 10 FGCDMO COc1cc(NC(=O)C[N@H+](C)Cc2cc(Cl)ccc2O)cc(OC)c1 ZINC000091889313 700427961 /nfs/dbraw/zinc/42/79/61/700427961.db2.gz APOTVYDURZQQIT-UHFFFAOYSA-N 1 1 364.829 3.133 20 10 FGCDMO COc1cc(NC(=O)C[N@@H+](C)Cc2cc(Cl)ccc2O)cc(OC)c1 ZINC000091889313 700427964 /nfs/dbraw/zinc/42/79/64/700427964.db2.gz APOTVYDURZQQIT-UHFFFAOYSA-N 1 1 364.829 3.133 20 10 FGCDMO CCc1nn(C)c(Cl)c1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000092380629 700435446 /nfs/dbraw/zinc/43/54/46/700435446.db2.gz YOGFNHAYSYFNON-UHFFFAOYSA-N 1 1 362.905 3.357 20 10 FGCDMO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cc(Cl)ccc2O)c1 ZINC000093361497 700450656 /nfs/dbraw/zinc/45/06/56/700450656.db2.gz RLDKTNSXIRCORB-UHFFFAOYSA-N 1 1 351.830 3.057 20 10 FGCDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCCSc1nccs1 ZINC000151769160 704937064 /nfs/dbraw/zinc/93/70/64/704937064.db2.gz OCEHKGCUXBHSQC-CQSZACIVSA-N 1 1 356.561 3.189 20 10 FGCDMO CCCC[N@@H+](Cc1ccc(N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160790800 705261549 /nfs/dbraw/zinc/26/15/49/705261549.db2.gz RRCQPNUHIPEFNB-IBGZPJMESA-N 1 1 352.544 3.322 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000779164848 724397138 /nfs/dbraw/zinc/39/71/38/724397138.db2.gz ZVTUAEIFJMNFJZ-KGLIPLIRSA-N 1 1 350.459 3.136 20 10 FGCDMO C[C@]1(C(N)=O)CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000794717029 723542519 /nfs/dbraw/zinc/54/25/19/723542519.db2.gz WNWZRKGOZBPFNQ-KRWDZBQOSA-N 1 1 363.255 3.005 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000780892645 724512123 /nfs/dbraw/zinc/51/21/23/724512123.db2.gz JTTLVABFPABKER-KBPBESRZSA-N 1 1 350.459 3.231 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2ccc([S@@](C)=O)cc2)c1 ZINC000781632763 724580873 /nfs/dbraw/zinc/58/08/73/724580873.db2.gz LFGOJZFDVGQTMY-OAQYLSRUSA-N 1 1 368.296 3.490 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000781632234 724580919 /nfs/dbraw/zinc/58/09/19/724580919.db2.gz QICFTWNGFDHTQC-KRWDZBQOSA-N 1 1 350.256 3.460 20 10 FGCDMO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)cc(Br)c1O)CC2 ZINC000781912328 724611124 /nfs/dbraw/zinc/61/11/24/724611124.db2.gz PDCPJQUEUACFLX-CYBMUJFWSA-N 1 1 368.271 3.238 20 10 FGCDMO C[NH+]1CCN(c2ccc(CNCc3ccc(Br)o3)cc2)CC1 ZINC000782540742 724680754 /nfs/dbraw/zinc/68/07/54/724680754.db2.gz ZGMGZVMINMAACA-UHFFFAOYSA-N 1 1 364.287 3.084 20 10 FGCDMO COC(=O)C[N@H+](Cc1c(O)ccc2cc(Br)ccc21)C1CC1 ZINC000751951372 722837455 /nfs/dbraw/zinc/83/74/55/722837455.db2.gz CJHRVVAZKWKCEJ-UHFFFAOYSA-N 1 1 364.239 3.445 20 10 FGCDMO COC(=O)C[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)C1CC1 ZINC000751951372 722837456 /nfs/dbraw/zinc/83/74/56/722837456.db2.gz CJHRVVAZKWKCEJ-UHFFFAOYSA-N 1 1 364.239 3.445 20 10 FGCDMO CC(=O)NC1CCC([N@@H+](C)Cc2cc(Br)ccc2O)CC1 ZINC000753591363 722905808 /nfs/dbraw/zinc/90/58/08/722905808.db2.gz RBYZBURZNWTARX-UHFFFAOYSA-N 1 1 355.276 3.034 20 10 FGCDMO COc1cc(C)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000754741630 722945177 /nfs/dbraw/zinc/94/51/77/722945177.db2.gz LXANZBUNUMQJSU-CQSZACIVSA-N 1 1 350.459 3.150 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000754741630 722945178 /nfs/dbraw/zinc/94/51/78/722945178.db2.gz LXANZBUNUMQJSU-CQSZACIVSA-N 1 1 350.459 3.150 20 10 FGCDMO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(Cl)cc1 ZINC000760370503 723052379 /nfs/dbraw/zinc/05/23/79/723052379.db2.gz SYRKWRIRMUNPCL-FUHWJXTLSA-N 1 1 359.857 3.290 20 10 FGCDMO C[N@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(Cl)cc1 ZINC000760370503 723052382 /nfs/dbraw/zinc/05/23/82/723052382.db2.gz SYRKWRIRMUNPCL-FUHWJXTLSA-N 1 1 359.857 3.290 20 10 FGCDMO CSC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000789816906 723076051 /nfs/dbraw/zinc/07/60/51/723076051.db2.gz RAHIUBWBEPFCRG-CQSZACIVSA-N 1 1 354.903 3.022 20 10 FGCDMO CSC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000789816906 723076068 /nfs/dbraw/zinc/07/60/68/723076068.db2.gz RAHIUBWBEPFCRG-CQSZACIVSA-N 1 1 354.903 3.022 20 10 FGCDMO O=C(NCC[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(Cl)cc1 ZINC000790958025 723198976 /nfs/dbraw/zinc/19/89/76/723198976.db2.gz GPZQBYOCEOSRNV-UHFFFAOYSA-N 1 1 357.212 3.358 20 10 FGCDMO COCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[C@H](C)C1 ZINC000792193467 723320226 /nfs/dbraw/zinc/32/02/26/723320226.db2.gz WUQMMHPAJMHFEV-WMZOPIPTSA-N 1 1 350.478 3.299 20 10 FGCDMO CO[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@@H]1OC ZINC000792714032 723360260 /nfs/dbraw/zinc/36/02/60/723360260.db2.gz SDWOVAXUYJRPSK-CALCHBBNSA-N 1 1 366.255 3.154 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763696864 723361497 /nfs/dbraw/zinc/36/14/97/723361497.db2.gz MJDMFAXBFCRWFA-CYBMUJFWSA-N 1 1 354.244 3.072 20 10 FGCDMO COCCOC[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792831415 723372547 /nfs/dbraw/zinc/37/25/47/723372547.db2.gz GMMWJPXNDHWBRT-CQSZACIVSA-N 1 1 360.420 3.256 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000793216499 723412453 /nfs/dbraw/zinc/41/24/53/723412453.db2.gz CMBFQWCNCCEBGP-NSHDSACASA-N 1 1 373.291 3.466 20 10 FGCDMO CC[C@H](C)[C@@H](OC)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000793689964 723461171 /nfs/dbraw/zinc/46/11/71/723461171.db2.gz QXOYEPNRTPSQSX-QANKJYHBSA-N 1 1 368.905 3.187 20 10 FGCDMO C[C@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766384015 723571377 /nfs/dbraw/zinc/57/13/77/723571377.db2.gz VKRQBSLQUXUWIG-HOTGVXAUSA-N 1 1 351.922 3.169 20 10 FGCDMO C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766384015 723571380 /nfs/dbraw/zinc/57/13/80/723571380.db2.gz VKRQBSLQUXUWIG-HOTGVXAUSA-N 1 1 351.922 3.169 20 10 FGCDMO COC(=O)c1cccc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000795981176 723616303 /nfs/dbraw/zinc/61/63/03/723616303.db2.gz LQGPZTKJGJRVEG-UHFFFAOYSA-N 1 1 350.212 3.231 20 10 FGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(NS(C)(=O)=O)c1 ZINC000768134666 723647915 /nfs/dbraw/zinc/64/79/15/723647915.db2.gz SNXDLNQGAVQUIW-UHFFFAOYSA-N 1 1 361.511 3.146 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cc1F ZINC000768248987 723651651 /nfs/dbraw/zinc/65/16/51/723651651.db2.gz NAYNQDAMAMJNFI-OAHLLOKOSA-N 1 1 351.466 3.333 20 10 FGCDMO C[N@@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768443190 723657648 /nfs/dbraw/zinc/65/76/48/723657648.db2.gz RCQFVNFXIOZTAO-INIZCTEOSA-N 1 1 364.239 3.213 20 10 FGCDMO COc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000768466490 723658453 /nfs/dbraw/zinc/65/84/53/723658453.db2.gz QUKGHYUMTXKVMK-OAHLLOKOSA-N 1 1 350.459 3.150 20 10 FGCDMO COc1ccc(N2CC[NH+](CCc3ccc(F)c(F)c3)CC2)cc1F ZINC000768530753 723660570 /nfs/dbraw/zinc/66/05/70/723660570.db2.gz PNTZGLXGCQOWJT-UHFFFAOYSA-N 1 1 350.384 3.477 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000770376634 723712295 /nfs/dbraw/zinc/71/22/95/723712295.db2.gz WIEOBQWLQOFDAF-QWHCGFSZSA-N 1 1 370.287 3.412 20 10 FGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1O ZINC000771062952 723727047 /nfs/dbraw/zinc/72/70/47/723727047.db2.gz CNDPDBGUQGTHQG-OAHLLOKOSA-N 1 1 360.841 3.146 20 10 FGCDMO CC(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000773406411 723784226 /nfs/dbraw/zinc/78/42/26/723784226.db2.gz CQAZDJAGJKWBQU-YESZJQIVSA-N 1 1 350.890 3.418 20 10 FGCDMO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774914833 723941871 /nfs/dbraw/zinc/94/18/71/723941871.db2.gz WZAHBIJRUSHVCV-HUUCEWRRSA-N 1 1 352.431 3.335 20 10 FGCDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774914833 723941872 /nfs/dbraw/zinc/94/18/72/723941872.db2.gz WZAHBIJRUSHVCV-HUUCEWRRSA-N 1 1 352.431 3.335 20 10 FGCDMO COc1cc(C)c(C[NH2+]Cc2cccc(Br)c2O)c(C)n1 ZINC000775151851 723964724 /nfs/dbraw/zinc/96/47/24/723964724.db2.gz JABJTDZGKZVGNK-UHFFFAOYSA-N 1 1 351.244 3.465 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](NC(=O)C(C)C)C2)c1O ZINC000775668102 724020643 /nfs/dbraw/zinc/02/06/43/724020643.db2.gz RCVBIDKUCBVSLQ-OAHLLOKOSA-N 1 1 369.303 3.200 20 10 FGCDMO C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000788257796 725053265 /nfs/dbraw/zinc/05/32/65/725053265.db2.gz QNWZHESVHWVOOT-VIFPVBQESA-N 1 1 358.667 3.435 20 10 FGCDMO C[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)[NH+]1CCCCC1 ZINC000805182992 725055110 /nfs/dbraw/zinc/05/51/10/725055110.db2.gz ZIHAGNCDVYRSMO-LLVKDONJSA-N 1 1 360.285 3.373 20 10 FGCDMO COC(=O)C[N@H+](CCCc1cnccc1C)Cc1cc(Cl)ccc1O ZINC000809571730 725248518 /nfs/dbraw/zinc/24/85/18/725248518.db2.gz AYRGPDZRCDQKOK-UHFFFAOYSA-N 1 1 362.857 3.357 20 10 FGCDMO COC(=O)C[N@@H+](CCCc1cnccc1C)Cc1cc(Cl)ccc1O ZINC000809571730 725248519 /nfs/dbraw/zinc/24/85/19/725248519.db2.gz AYRGPDZRCDQKOK-UHFFFAOYSA-N 1 1 362.857 3.357 20 10 FGCDMO COC[C@@]1(C[NH2+]Cc2c(O)ccc(Cl)c2F)OCCc2ccccc21 ZINC000810158385 725293645 /nfs/dbraw/zinc/29/36/45/725293645.db2.gz MDKGJDJZUXZLFK-LJQANCHMSA-N 1 1 365.832 3.389 20 10 FGCDMO CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810245010 725299437 /nfs/dbraw/zinc/29/94/37/725299437.db2.gz MYNLNFBXWAUHIP-SJORKVTESA-N 1 1 351.510 3.433 20 10 FGCDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810245010 725299438 /nfs/dbraw/zinc/29/94/38/725299438.db2.gz MYNLNFBXWAUHIP-SJORKVTESA-N 1 1 351.510 3.433 20 10 FGCDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810261271 725300405 /nfs/dbraw/zinc/30/04/05/725300405.db2.gz IRMONKLLIAUBKV-SJORKVTESA-N 1 1 351.510 3.433 20 10 FGCDMO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810261271 725300407 /nfs/dbraw/zinc/30/04/07/725300407.db2.gz IRMONKLLIAUBKV-SJORKVTESA-N 1 1 351.510 3.433 20 10 FGCDMO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000819760272 728942962 /nfs/dbraw/zinc/94/29/62/728942962.db2.gz CDLRQJHTKPYELV-INIZCTEOSA-N 1 1 351.487 3.291 20 10 FGCDMO C[C@@H]([NH2+]CCc1nnc2ccccn21)c1cccc(C(F)(F)F)c1O ZINC000815555144 727084036 /nfs/dbraw/zinc/08/40/36/727084036.db2.gz QVFAHVHDDSBJRX-LLVKDONJSA-N 1 1 350.344 3.347 20 10 FGCDMO C[N@@H+](Cc1ccc2ccccc2c1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000816511157 727169698 /nfs/dbraw/zinc/16/96/98/727169698.db2.gz PZDANWIRLHAGBY-HNNXBMFYSA-N 1 1 352.356 3.140 20 10 FGCDMO Cc1ccc(C(=O)NCC[NH2+]Cc2cc(Cl)c(F)cc2O)cc1F ZINC000816534508 727172726 /nfs/dbraw/zinc/17/27/26/727172726.db2.gz LAPIZCAVGOWLBI-UHFFFAOYSA-N 1 1 354.784 3.152 20 10 FGCDMO C[N@H+](CCn1cc(Br)cn1)Cc1cc(Cl)c(F)cc1O ZINC000816614286 727180559 /nfs/dbraw/zinc/18/05/59/727180559.db2.gz SCGSNUMOBTYQJN-UHFFFAOYSA-N 1 1 362.630 3.276 20 10 FGCDMO C[N@@H+](CCn1cc(Br)cn1)Cc1cc(Cl)c(F)cc1O ZINC000816614286 727180562 /nfs/dbraw/zinc/18/05/62/727180562.db2.gz SCGSNUMOBTYQJN-UHFFFAOYSA-N 1 1 362.630 3.276 20 10 FGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1O ZINC000816641835 727183938 /nfs/dbraw/zinc/18/39/38/727183938.db2.gz HOAMEZTYNIXFAC-SFHVURJKSA-N 1 1 358.869 3.287 20 10 FGCDMO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCCN1 ZINC000817903187 727287560 /nfs/dbraw/zinc/28/75/60/727287560.db2.gz JNPBRIPIHIIGSS-RDTXWAMCSA-N 1 1 353.457 3.377 20 10 FGCDMO C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000817903187 727287562 /nfs/dbraw/zinc/28/75/62/727287562.db2.gz JNPBRIPIHIIGSS-RDTXWAMCSA-N 1 1 353.457 3.377 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCCN1 ZINC000817899391 727287572 /nfs/dbraw/zinc/28/75/72/727287572.db2.gz LMLVUBMZWHOHQS-MPGHIAIKSA-N 1 1 353.457 3.377 20 10 FGCDMO C[N@H+](Cc1ccccc1)C[C@@H](O)CNc1ccccc1OCC(F)F ZINC000819461012 727377135 /nfs/dbraw/zinc/37/71/35/727377135.db2.gz YVFVLWIQVDRGQG-INIZCTEOSA-N 1 1 350.409 3.235 20 10 FGCDMO COc1cc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)ccc1Cl ZINC000825143490 729372711 /nfs/dbraw/zinc/37/27/11/729372711.db2.gz FISVJQYRRQNPHG-UHFFFAOYSA-N 1 1 359.901 3.390 20 10 FGCDMO COc1cc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c(O)c(C(C)(C)C)c1 ZINC000826084070 729404634 /nfs/dbraw/zinc/40/46/34/729404634.db2.gz SQNRNUIUFRNWCW-XMMPIXPASA-N 1 1 353.528 3.431 20 10 FGCDMO COc1cc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)c(O)c(C(C)(C)C)c1 ZINC000826084070 729404635 /nfs/dbraw/zinc/40/46/35/729404635.db2.gz SQNRNUIUFRNWCW-XMMPIXPASA-N 1 1 353.528 3.431 20 10 FGCDMO COc1cc(C[N@@H+](CCO)C2CCSCC2)c(O)c(C(C)(C)C)c1 ZINC000826096718 729405188 /nfs/dbraw/zinc/40/51/88/729405188.db2.gz APSHXNQULLJLMH-UHFFFAOYSA-N 1 1 353.528 3.388 20 10 FGCDMO O=C(CSC(F)F)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095522 729424091 /nfs/dbraw/zinc/42/40/91/729424091.db2.gz IMRLWWHTXKXBDY-GFCCVEGCSA-N 1 1 364.845 3.082 20 10 FGCDMO O=C(CSC(F)F)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095522 729424092 /nfs/dbraw/zinc/42/40/92/729424092.db2.gz IMRLWWHTXKXBDY-GFCCVEGCSA-N 1 1 364.845 3.082 20 10 FGCDMO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc(Br)cc1O)C2 ZINC000828013902 729438441 /nfs/dbraw/zinc/43/84/41/729438441.db2.gz OASIAJWKVVAFIG-UHFFFAOYSA-N 1 1 364.287 3.473 20 10 FGCDMO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccc(Br)cc1O)C2 ZINC000828013902 729438442 /nfs/dbraw/zinc/43/84/42/729438442.db2.gz OASIAJWKVVAFIG-UHFFFAOYSA-N 1 1 364.287 3.473 20 10 FGCDMO Cc1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)ccc1N1CCCCC1 ZINC000829481472 729483920 /nfs/dbraw/zinc/48/39/20/729483920.db2.gz NOIASHDQBDAMOS-IBGZPJMESA-N 1 1 364.555 3.384 20 10 FGCDMO CC(=O)NCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)Cc1ccsc1 ZINC000835049976 729853104 /nfs/dbraw/zinc/85/31/04/729853104.db2.gz OEEWMACVNKVPNS-SNAWJCMRSA-N 1 1 357.523 3.466 20 10 FGCDMO CC(=O)NCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)Cc1ccsc1 ZINC000835049976 729853105 /nfs/dbraw/zinc/85/31/05/729853105.db2.gz OEEWMACVNKVPNS-SNAWJCMRSA-N 1 1 357.523 3.466 20 10 FGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000835055504 729853671 /nfs/dbraw/zinc/85/36/71/729853671.db2.gz VDPHJVBPDZXIHV-RTRPANQVSA-N 1 1 351.441 3.002 20 10 FGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000835055504 729853674 /nfs/dbraw/zinc/85/36/74/729853674.db2.gz VDPHJVBPDZXIHV-RTRPANQVSA-N 1 1 351.441 3.002 20 10 FGCDMO Cc1cc(Br)cc(C[NH2+]Cc2nnc(C3CC3)s2)c1O ZINC000840973458 730199644 /nfs/dbraw/zinc/19/96/44/730199644.db2.gz NRKHIKGNELPISI-UHFFFAOYSA-N 1 1 354.273 3.482 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1O ZINC000840975216 730200049 /nfs/dbraw/zinc/20/00/49/730200049.db2.gz UPZSNHFPCSXPFB-OAHLLOKOSA-N 1 1 352.862 3.031 20 10 FGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(F)c(Br)c2)cc1 ZINC000841039928 730205383 /nfs/dbraw/zinc/20/53/83/730205383.db2.gz FADAMYIGSSYKMQ-QGZVFWFLSA-N 1 1 366.278 3.444 20 10 FGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000841046150 730205980 /nfs/dbraw/zinc/20/59/80/730205980.db2.gz XCPUDNGXDRJAOW-INIZCTEOSA-N 1 1 353.388 3.283 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841754432 730271114 /nfs/dbraw/zinc/27/11/14/730271114.db2.gz RMXFVXYJRIIPSR-RDTXWAMCSA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841754432 730271116 /nfs/dbraw/zinc/27/11/16/730271116.db2.gz RMXFVXYJRIIPSR-RDTXWAMCSA-N 1 1 360.885 3.463 20 10 FGCDMO CC(C)(C)OC(=O)C1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCOCC1 ZINC000842742619 730538270 /nfs/dbraw/zinc/53/82/70/730538270.db2.gz XSJQXHBQCSCLRU-UHFFFAOYSA-N 1 1 373.852 3.413 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cc(Br)c(F)cc1O ZINC000842884234 730553585 /nfs/dbraw/zinc/55/35/85/730553585.db2.gz HHVQGRBNAKRHED-TVQRCGJNSA-N 1 1 373.266 3.344 20 10 FGCDMO [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126617 730589027 /nfs/dbraw/zinc/58/90/27/730589027.db2.gz LWGITGGNTOJKJV-KBPBESRZSA-N 1 1 353.304 3.366 20 10 FGCDMO [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126617 730589029 /nfs/dbraw/zinc/58/90/29/730589029.db2.gz LWGITGGNTOJKJV-KBPBESRZSA-N 1 1 353.304 3.366 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1O ZINC000848518690 731174307 /nfs/dbraw/zinc/17/43/07/731174307.db2.gz MQRQJJCGPFYUKC-NILFDRSVSA-N 1 1 369.303 3.441 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1O ZINC000848518690 731174308 /nfs/dbraw/zinc/17/43/08/731174308.db2.gz MQRQJJCGPFYUKC-NILFDRSVSA-N 1 1 369.303 3.441 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ncnc32)c1O ZINC000850499866 731364942 /nfs/dbraw/zinc/36/49/42/731364942.db2.gz ZEAVXPVHRLYPMS-PTRXPTGYSA-N 1 1 367.247 3.111 20 10 FGCDMO COC(=O)c1nc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)ccc1Cl ZINC000850512975 731367261 /nfs/dbraw/zinc/36/72/61/731367261.db2.gz BJNJFZNTVQXHAR-MRVPVSSYSA-N 1 1 356.756 3.356 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000852790059 731636077 /nfs/dbraw/zinc/63/60/77/731636077.db2.gz NTCDYEMJHFIGOZ-UHFFFAOYSA-N 1 1 367.268 3.092 20 10 FGCDMO Oc1ccc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)cc1 ZINC000862211078 732786772 /nfs/dbraw/zinc/78/67/72/732786772.db2.gz CWTZYDAMZUITSW-UHFFFAOYSA-N 1 1 363.255 3.183 20 10 FGCDMO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000862242000 732796169 /nfs/dbraw/zinc/79/61/69/732796169.db2.gz RSKFDNQHYRJZJA-CMPLNLGQSA-N 1 1 354.166 3.042 20 10 FGCDMO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000862348910 732812502 /nfs/dbraw/zinc/81/25/02/732812502.db2.gz YMNNOJIUOHFBOW-TVQRCGJNSA-N 1 1 368.193 3.290 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000862353322 732814065 /nfs/dbraw/zinc/81/40/65/732814065.db2.gz KNVZJZIELZMHFK-XNJGSVPQSA-N 1 1 370.287 3.313 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1F ZINC000862382946 732820618 /nfs/dbraw/zinc/82/06/18/732820618.db2.gz FBIYHMIZGZYAKA-ZDUSSCGKSA-N 1 1 353.457 3.144 20 10 FGCDMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000862482094 732839371 /nfs/dbraw/zinc/83/93/71/732839371.db2.gz DAPZDAGMSIXOJM-MRXNPFEDSA-N 1 1 350.821 3.180 20 10 FGCDMO C[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cccc(C(F)(F)F)c1O ZINC000903346199 743839382 /nfs/dbraw/zinc/83/93/82/743839382.db2.gz DONSSJKQDPOOKY-GFCCVEGCSA-N 1 1 359.388 3.383 20 10 FGCDMO Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386970 494388352 /nfs/dbraw/zinc/38/83/52/494388352.db2.gz NXPVPKBPBLBZOZ-SFHVURJKSA-N 1 1 367.493 3.291 20 10 FGCDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000073721916 494417708 /nfs/dbraw/zinc/41/77/08/494417708.db2.gz KNCLKIZRVUHWPR-IBGZPJMESA-N 1 1 358.530 3.160 20 10 FGCDMO CCOc1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1O ZINC000092037833 494763382 /nfs/dbraw/zinc/76/33/82/494763382.db2.gz PWPFKLYTKHBMID-MOPGFXCFSA-N 1 1 357.450 3.115 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)c1O ZINC000092037833 494763386 /nfs/dbraw/zinc/76/33/86/494763386.db2.gz PWPFKLYTKHBMID-MOPGFXCFSA-N 1 1 357.450 3.115 20 10 FGCDMO CCCOc1ccc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)c(O)c1 ZINC000093056230 494818286 /nfs/dbraw/zinc/81/82/86/494818286.db2.gz PMPYZBUXSPSBGO-UHFFFAOYSA-N 1 1 359.470 3.104 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000126717737 494825296 /nfs/dbraw/zinc/82/52/96/494825296.db2.gz SLKJTDINAPQCOX-UHFFFAOYSA-N 1 1 372.538 3.227 20 10 FGCDMO COc1cc(OC)cc([C@@H]([NH2+]Cc2cc(C)ccc2O)c2nccn2C)c1 ZINC000113319160 495296277 /nfs/dbraw/zinc/29/62/77/495296277.db2.gz FONNIPTVFSGYST-HXUWFJFHSA-N 1 1 367.449 3.331 20 10 FGCDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000154527199 495643955 /nfs/dbraw/zinc/64/39/55/495643955.db2.gz IXACIHAYZDJLSU-QUCCMNQESA-N 1 1 372.421 3.015 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000273483307 496819381 /nfs/dbraw/zinc/81/93/81/496819381.db2.gz MOVUAANONOTMFR-OLXKUKDPSA-N 1 1 361.463 3.328 20 10 FGCDMO COc1c([O-])c(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475949 497127706 /nfs/dbraw/zinc/12/77/06/497127706.db2.gz ILYUSQKICNGRMP-UKRRQHHQSA-N 1 1 363.458 3.052 20 10 FGCDMO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278886303 497255389 /nfs/dbraw/zinc/25/53/89/497255389.db2.gz OUHUDTQVRMEVGA-UHFFFAOYSA-N 1 1 373.409 3.337 20 10 FGCDMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278936632 497273574 /nfs/dbraw/zinc/27/35/74/497273574.db2.gz WZEQGYUKHWEDDC-LLVKDONJSA-N 1 1 362.382 3.177 20 10 FGCDMO Cc1ccc(N2CCC(C(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)[nH+]c1 ZINC000194068910 497563279 /nfs/dbraw/zinc/56/32/79/497563279.db2.gz SBRFPEJMURFHCR-UHFFFAOYSA-N 1 1 366.509 3.331 20 10 FGCDMO C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272633042 497684940 /nfs/dbraw/zinc/68/49/40/497684940.db2.gz KQLCTRAXMRCPND-GRWKNNQQSA-N 1 1 366.461 3.138 20 10 FGCDMO COc1cccc(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000272646228 497689565 /nfs/dbraw/zinc/68/95/65/497689565.db2.gz PAGHTWQVKRZXAP-UONOGXRCSA-N 1 1 350.459 3.136 20 10 FGCDMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000191331183 497782772 /nfs/dbraw/zinc/78/27/72/497782772.db2.gz UAEOEHCWQLBNNK-NSHDSACASA-N 1 1 350.825 3.102 20 10 FGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000191331183 497782782 /nfs/dbraw/zinc/78/27/82/497782782.db2.gz UAEOEHCWQLBNNK-NSHDSACASA-N 1 1 350.825 3.102 20 10 FGCDMO C[C@H]1CN(c2ccc(C[NH2+]Cc3cc(F)ncc3F)cc2F)C[C@H](C)O1 ZINC000296218917 497960399 /nfs/dbraw/zinc/96/03/99/497960399.db2.gz BUJOEYLXAUUNHZ-STQMWFEESA-N 1 1 365.399 3.402 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3cnccn3)no2)C1 ZINC000349973810 498027593 /nfs/dbraw/zinc/02/75/93/498027593.db2.gz WLNSLYNHYLLYLX-UHFFFAOYSA-N 1 1 374.448 3.296 20 10 FGCDMO Cc1[nH+]ccn1-c1cccc(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000361800153 498432235 /nfs/dbraw/zinc/43/22/35/498432235.db2.gz QBXNMPVQQDDUIN-UHFFFAOYSA-N 1 1 363.465 3.049 20 10 FGCDMO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)cc1F ZINC000290706336 498653164 /nfs/dbraw/zinc/65/31/64/498653164.db2.gz GIZPVIWOASSKAC-MRXNPFEDSA-N 1 1 358.461 3.056 20 10 FGCDMO CC[C@@](C)([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000298639361 498837350 /nfs/dbraw/zinc/83/73/50/498837350.db2.gz PQAPFMRQKXXGGW-LJQANCHMSA-N 1 1 360.527 3.049 20 10 FGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)[S@@]1=O ZINC000295163482 498929511 /nfs/dbraw/zinc/92/95/11/498929511.db2.gz HHWSSXYDWVEYGU-ZCPGDWHISA-N 1 1 364.555 3.033 20 10 FGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)[S@@]1=O ZINC000295163482 498929514 /nfs/dbraw/zinc/92/95/14/498929514.db2.gz HHWSSXYDWVEYGU-ZCPGDWHISA-N 1 1 364.555 3.033 20 10 FGCDMO CN1CCC([NH+]2CCC(CC[NH2+]Cc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000363662665 498930546 /nfs/dbraw/zinc/93/05/46/498930546.db2.gz OVGQLUAPZOMLHM-UHFFFAOYSA-N 1 1 365.949 3.332 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c(O)c1 ZINC000367343621 499184903 /nfs/dbraw/zinc/18/49/03/499184903.db2.gz NURJOOYLNUIZNS-MRXNPFEDSA-N 1 1 372.465 3.416 20 10 FGCDMO CC[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1ccc(F)cc1O ZINC000367614355 499217878 /nfs/dbraw/zinc/21/78/78/499217878.db2.gz GTTQBTNHCDSIIY-HEFCMCLBSA-N 1 1 360.477 3.389 20 10 FGCDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000368566515 499308117 /nfs/dbraw/zinc/30/81/17/499308117.db2.gz LIQNTAOQQGMASS-SFHVURJKSA-N 1 1 370.541 3.445 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000371332537 499311397 /nfs/dbraw/zinc/31/13/97/499311397.db2.gz QHWUTXDIMHFRBD-VXGBXAGGSA-N 1 1 356.260 3.022 20 10 FGCDMO CC(C)N1CCN([C@@H]2CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000371336664 499312475 /nfs/dbraw/zinc/31/24/75/499312475.db2.gz QGRGREHENGLGAN-HSZRJFAPSA-N 1 1 370.585 3.277 20 10 FGCDMO CC(C)N1CCN([C@@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC000371336664 499312478 /nfs/dbraw/zinc/31/24/78/499312478.db2.gz QGRGREHENGLGAN-HSZRJFAPSA-N 1 1 370.585 3.277 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1O ZINC000368654958 499317931 /nfs/dbraw/zinc/31/79/31/499317931.db2.gz FIRZWXVSDKXIKM-INIZCTEOSA-N 1 1 366.465 3.288 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3c[nH]c4nccnc34)CC2)cc1 ZINC000368666065 499319780 /nfs/dbraw/zinc/31/97/80/499319780.db2.gz JVMGGHWMCSENRF-UHFFFAOYSA-N 1 1 351.454 3.019 20 10 FGCDMO Cc1cc(Cl)cc(CN(C)C2CC[NH+](C3CCOCC3)CC2)c1O ZINC000371427101 499325368 /nfs/dbraw/zinc/32/53/68/499325368.db2.gz SQJLYCXIJXTASX-UHFFFAOYSA-N 1 1 352.906 3.429 20 10 FGCDMO COc1cc(O)c(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1OC ZINC000378522543 499527453 /nfs/dbraw/zinc/52/74/53/499527453.db2.gz SPCNDYZGNYJRSP-KKSFZXQISA-N 1 1 356.466 3.192 20 10 FGCDMO C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000377698027 499721448 /nfs/dbraw/zinc/72/14/48/499721448.db2.gz PGFUDXHMCUCYDX-MRXNPFEDSA-N 1 1 372.340 3.301 20 10 FGCDMO C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000377698027 499721449 /nfs/dbraw/zinc/72/14/49/499721449.db2.gz PGFUDXHMCUCYDX-MRXNPFEDSA-N 1 1 372.340 3.301 20 10 FGCDMO CCOCCCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435558535 500992258 /nfs/dbraw/zinc/99/22/58/500992258.db2.gz MWQJUBQKBUPPDY-UHFFFAOYSA-N 1 1 371.525 3.341 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccn(C)c2)C1 ZINC000435825988 501033862 /nfs/dbraw/zinc/03/38/62/501033862.db2.gz KBXZUELZYPEPCS-UHFFFAOYSA-N 1 1 364.493 3.063 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)ccc21 ZINC000467030188 502763962 /nfs/dbraw/zinc/76/39/62/502763962.db2.gz DFGFQUNFQVCQMN-XOBRGWDASA-N 1 1 369.509 3.117 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000527742334 503923363 /nfs/dbraw/zinc/92/33/63/503923363.db2.gz JXMXBAFXQFSXRS-NSHDSACASA-N 1 1 364.165 3.244 20 10 FGCDMO C[C@H]([NH2+]Cc1cccc(Br)c1O)c1cccc(-c2nn[nH]n2)c1 ZINC000820433221 599394593 /nfs/dbraw/zinc/39/45/93/599394593.db2.gz WEDMONMNWRQRGD-JTQLQIEISA-N 1 1 374.242 3.186 20 10 FGCDMO CCOc1cccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1O ZINC000825648815 608519531 /nfs/dbraw/zinc/51/95/31/608519531.db2.gz DGNGWFBLHAEFAY-UHFFFAOYSA-N 1 1 365.437 3.136 20 10 FGCDMO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(OCC)c1O ZINC000825317973 608547415 /nfs/dbraw/zinc/54/74/15/608547415.db2.gz FSYSFHJTLRJZJG-UHFFFAOYSA-N 1 1 367.453 3.383 20 10 FGCDMO COc1ccc(C[N@@H+](CCO)Cc2cc(Cl)ccc2O)c(OC)c1 ZINC000093363738 700450647 /nfs/dbraw/zinc/45/06/47/700450647.db2.gz MRNRMMRPQAYKOD-UHFFFAOYSA-N 1 1 351.830 3.057 20 10 FGCDMO COc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)cc1F ZINC000122078450 700684118 /nfs/dbraw/zinc/68/41/18/700684118.db2.gz IQVMLGXBWWUXHI-SFHVURJKSA-N 1 1 364.848 3.343 20 10 FGCDMO Cc1cccc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000136966368 704866636 /nfs/dbraw/zinc/86/66/36/704866636.db2.gz VBHSAHDZDKJKBV-OAHLLOKOSA-N 1 1 363.255 3.122 20 10 FGCDMO Cc1cccc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000136966368 704866643 /nfs/dbraw/zinc/86/66/43/704866643.db2.gz VBHSAHDZDKJKBV-OAHLLOKOSA-N 1 1 363.255 3.122 20 10 FGCDMO COc1ccc(N2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)cc1 ZINC000188601193 712772896 /nfs/dbraw/zinc/77/28/96/712772896.db2.gz XRIVROCOHVKHJC-UHFFFAOYSA-N 1 1 368.346 3.031 20 10 FGCDMO COc1ccc(N2CCC[N@@H+](CCOCC(F)(F)C(F)F)CC2)cc1 ZINC000188848313 712778717 /nfs/dbraw/zinc/77/87/17/712778717.db2.gz WFLKVGIJKJUKPZ-UHFFFAOYSA-N 1 1 364.383 3.124 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1[O-] ZINC000245749737 713611302 /nfs/dbraw/zinc/61/13/02/713611302.db2.gz HAPBBFPQEYGCNE-LRDDRELGSA-N 1 1 365.861 3.403 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1[O-] ZINC000245749737 713611307 /nfs/dbraw/zinc/61/13/07/713611307.db2.gz HAPBBFPQEYGCNE-LRDDRELGSA-N 1 1 365.861 3.403 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[O-] ZINC000245749737 713611310 /nfs/dbraw/zinc/61/13/10/713611310.db2.gz HAPBBFPQEYGCNE-LRDDRELGSA-N 1 1 365.861 3.403 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[O-] ZINC000245749737 713611314 /nfs/dbraw/zinc/61/13/14/713611314.db2.gz HAPBBFPQEYGCNE-LRDDRELGSA-N 1 1 365.861 3.403 20 10 FGCDMO CCOc1cccc(C[N@@H+](CCNC(C)=O)Cc2ccc(C)s2)c1O ZINC000802652381 724397488 /nfs/dbraw/zinc/39/74/88/724397488.db2.gz FKXRFGZRWUCJMU-UHFFFAOYSA-N 1 1 362.495 3.299 20 10 FGCDMO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000804950099 724568350 /nfs/dbraw/zinc/56/83/50/724568350.db2.gz NXHFESQUALHPKH-LLVKDONJSA-N 1 1 360.285 3.230 20 10 FGCDMO C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000804950099 724568355 /nfs/dbraw/zinc/56/83/55/724568355.db2.gz NXHFESQUALHPKH-LLVKDONJSA-N 1 1 360.285 3.230 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000781907772 724610471 /nfs/dbraw/zinc/61/04/71/724610471.db2.gz IOGDVQIIYKHLKW-KGLIPLIRSA-N 1 1 358.301 3.169 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000781907772 724610474 /nfs/dbraw/zinc/61/04/74/724610474.db2.gz IOGDVQIIYKHLKW-KGLIPLIRSA-N 1 1 358.301 3.169 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000781915133 724612160 /nfs/dbraw/zinc/61/21/60/724612160.db2.gz XDDHSSLBNISHBL-GFCCVEGCSA-N 1 1 356.260 3.048 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000781915133 724612162 /nfs/dbraw/zinc/61/21/62/724612162.db2.gz XDDHSSLBNISHBL-GFCCVEGCSA-N 1 1 356.260 3.048 20 10 FGCDMO Cc1cc(C(=O)NCC[NH+]2CCSCC2)c(C)n1-c1cccc(C)c1 ZINC000732777689 722488368 /nfs/dbraw/zinc/48/83/68/722488368.db2.gz WAWNLVQGADNXCB-UHFFFAOYSA-N 1 1 357.523 3.181 20 10 FGCDMO COC(=O)C1(C[NH2+]Cc2cc(C)cc(Br)c2O)CCCC1 ZINC000753590470 722905917 /nfs/dbraw/zinc/90/59/17/722905917.db2.gz MZTRRAQOTOVDAW-UHFFFAOYSA-N 1 1 356.260 3.286 20 10 FGCDMO CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000756582417 722967215 /nfs/dbraw/zinc/96/72/15/722967215.db2.gz INUUUXAFIIXHFW-GLJUWKHASA-N 1 1 356.457 3.458 20 10 FGCDMO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1cc(Br)c(F)cc1O ZINC000756587582 722967247 /nfs/dbraw/zinc/96/72/47/722967247.db2.gz BKTBWDQSYLVBOH-YBYGRFCBSA-N 1 1 366.296 3.492 20 10 FGCDMO C[C@@H]([NH2+]CCNc1ccccn1)c1cc(Br)c(F)cc1O ZINC000756604790 722967610 /nfs/dbraw/zinc/96/76/10/722967610.db2.gz FNMYOWLSAFETKU-SNVBAGLBSA-N 1 1 354.223 3.452 20 10 FGCDMO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(Br)c(F)cc1O ZINC000756783748 722970055 /nfs/dbraw/zinc/97/00/55/722970055.db2.gz IRQIRHHXUDSJHD-KBUNVGBDSA-N 1 1 360.145 3.258 20 10 FGCDMO COC(=O)[C@@H](C)C[N@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000761217716 723134334 /nfs/dbraw/zinc/13/43/34/723134334.db2.gz XWPFSMQMAULDEW-NSHDSACASA-N 1 1 356.260 3.237 20 10 FGCDMO COC(=O)[C@@H](C)C[N@@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000761217716 723134335 /nfs/dbraw/zinc/13/43/35/723134335.db2.gz XWPFSMQMAULDEW-NSHDSACASA-N 1 1 356.260 3.237 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1O ZINC000793609571 723454359 /nfs/dbraw/zinc/45/43/59/723454359.db2.gz OWGSAHTUONABGZ-UONOGXRCSA-N 1 1 356.260 3.307 20 10 FGCDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038639 723472171 /nfs/dbraw/zinc/47/21/71/723472171.db2.gz NIARKOIYDLKYKV-YESZJQIVSA-N 1 1 363.933 3.454 20 10 FGCDMO CNC(=O)C[C@H]([NH2+]Cc1cccc(Br)c1O)c1ccccc1 ZINC000795607793 723601763 /nfs/dbraw/zinc/60/17/63/723601763.db2.gz WDVBOZAMQIPDMQ-HNNXBMFYSA-N 1 1 363.255 3.122 20 10 FGCDMO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000796284457 723630156 /nfs/dbraw/zinc/63/01/56/723630156.db2.gz PVBBJMRLIVAVFU-UHFFFAOYSA-N 1 1 354.841 3.454 20 10 FGCDMO C[S@](=O)Cc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000796525107 723641556 /nfs/dbraw/zinc/64/15/56/723641556.db2.gz BKVSXXFBUJBAHO-NRFANRHFSA-N 1 1 368.296 3.323 20 10 FGCDMO CC[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(F)cc1O ZINC000796677304 723649838 /nfs/dbraw/zinc/64/98/38/723649838.db2.gz BYBJTPAPIAFPCV-INIZCTEOSA-N 1 1 352.431 3.144 20 10 FGCDMO COc1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)cc1C ZINC000768465594 723658474 /nfs/dbraw/zinc/65/84/74/723658474.db2.gz IURVBRXWJIPLNE-AWEZNQCLSA-N 1 1 350.459 3.150 20 10 FGCDMO COc1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)cc1C ZINC000768465594 723658475 /nfs/dbraw/zinc/65/84/75/723658475.db2.gz IURVBRXWJIPLNE-AWEZNQCLSA-N 1 1 350.459 3.150 20 10 FGCDMO O=C(/C=C\c1ccco1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911119 723671967 /nfs/dbraw/zinc/67/19/67/723671967.db2.gz CCUZORLQNLCZHB-QKIRZYONSA-N 1 1 360.841 3.433 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769386522 723683941 /nfs/dbraw/zinc/68/39/41/723683941.db2.gz ASZXUEDNSIIEJD-OKILXGFUSA-N 1 1 350.459 3.231 20 10 FGCDMO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769386522 723683943 /nfs/dbraw/zinc/68/39/43/723683943.db2.gz ASZXUEDNSIIEJD-OKILXGFUSA-N 1 1 350.459 3.231 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NCc2cccs2)cc1F ZINC000769429353 723685433 /nfs/dbraw/zinc/68/54/33/723685433.db2.gz YMYHUULZAUDCDG-UHFFFAOYSA-N 1 1 363.502 3.482 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)NCc2cccs2)cc1F ZINC000769429353 723685434 /nfs/dbraw/zinc/68/54/34/723685434.db2.gz YMYHUULZAUDCDG-UHFFFAOYSA-N 1 1 363.502 3.482 20 10 FGCDMO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(F)cc1O ZINC000774397141 723888791 /nfs/dbraw/zinc/88/87/91/723888791.db2.gz RCAVILXRHLFNTK-ZYHUDNBSSA-N 1 1 357.347 3.450 20 10 FGCDMO C[C@@H]1[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CC(=O)N1Cc1ccccc1 ZINC000798506059 723938650 /nfs/dbraw/zinc/93/86/50/723938650.db2.gz YZJUXXWKOBKGAZ-MLGOLLRUSA-N 1 1 362.832 3.464 20 10 FGCDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000775143779 723963663 /nfs/dbraw/zinc/96/36/63/723963663.db2.gz BYYIVPYYAXCCMU-NOZJJQNGSA-N 1 1 368.193 3.290 20 10 FGCDMO Cc1cc(Cl)cc(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000775666375 724020052 /nfs/dbraw/zinc/02/00/52/724020052.db2.gz XBFQNQXJARQKDK-CALCHBBNSA-N 1 1 365.949 3.344 20 10 FGCDMO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000775992990 724094388 /nfs/dbraw/zinc/09/43/88/724094388.db2.gz OEORFLATUANTMX-QAPCUYQASA-N 1 1 353.846 3.460 20 10 FGCDMO CC1(C)CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000787449145 725028839 /nfs/dbraw/zinc/02/88/39/725028839.db2.gz JFHSOVVUBALPFF-RDJZCZTQSA-N 1 1 366.889 3.084 20 10 FGCDMO CCn1cccc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)c1=O ZINC000788604355 725075184 /nfs/dbraw/zinc/07/51/84/725075184.db2.gz JXTYJUGWUKJGCD-SNVBAGLBSA-N 1 1 369.234 3.326 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000808422790 725200374 /nfs/dbraw/zinc/20/03/74/725200374.db2.gz JLBTZGAUSQPPFM-HNNXBMFYSA-N 1 1 350.256 3.156 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC=C(c3ccnn3C)CC2)c1 ZINC000809690697 725258969 /nfs/dbraw/zinc/25/89/69/725258969.db2.gz WLBIVXKZYGQKSA-UHFFFAOYSA-N 1 1 362.271 3.486 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC=C(c3ccnn3C)CC2)c1 ZINC000809690697 725258970 /nfs/dbraw/zinc/25/89/70/725258970.db2.gz WLBIVXKZYGQKSA-UHFFFAOYSA-N 1 1 362.271 3.486 20 10 FGCDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000809691629 725259286 /nfs/dbraw/zinc/25/92/86/725259286.db2.gz PIUGZSRBMCTNQP-AWEZNQCLSA-N 1 1 371.275 3.255 20 10 FGCDMO COc1cc(O)c(C[N@@H+](CCN(C)C)CC2CCCCC2)cc1OC ZINC000809736611 725263927 /nfs/dbraw/zinc/26/39/27/725263927.db2.gz BOMMHSLJZHMSIZ-UHFFFAOYSA-N 1 1 350.503 3.353 20 10 FGCDMO Oc1ccc(Br)cc1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000809749788 725264853 /nfs/dbraw/zinc/26/48/53/725264853.db2.gz RPYYUQZUOLVKBY-UHFFFAOYSA-N 1 1 366.234 3.011 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1C ZINC000809769582 725266916 /nfs/dbraw/zinc/26/69/16/725266916.db2.gz PFYKUWNEVWJRDT-NKFCBESUSA-N 1 1 358.404 3.286 20 10 FGCDMO Cc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1C ZINC000809769582 725266918 /nfs/dbraw/zinc/26/69/18/725266918.db2.gz PFYKUWNEVWJRDT-NKFCBESUSA-N 1 1 358.404 3.286 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000809770524 725267063 /nfs/dbraw/zinc/26/70/63/725267063.db2.gz BRTCSNTXFDPADF-BBRMVZONSA-N 1 1 350.459 3.278 20 10 FGCDMO C[C@H]1CN(C(=O)NCCCSc2nccs2)CC[N@H+](C2CCC2)C1 ZINC000813681423 726904596 /nfs/dbraw/zinc/90/45/96/726904596.db2.gz ORMWKUQMTAOXHX-CQSZACIVSA-N 1 1 368.572 3.141 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(C(F)(F)F)c1O ZINC000815592907 727085221 /nfs/dbraw/zinc/08/52/21/727085221.db2.gz VQWABUPLULUJFC-KCJUWKMLSA-N 1 1 370.293 3.225 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1O ZINC000815625652 727087294 /nfs/dbraw/zinc/08/72/94/727087294.db2.gz JLVSAQRDMUHOAK-ZJUUUORDSA-N 1 1 351.390 3.027 20 10 FGCDMO CC(C)[NH+]1CCC(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)CC1 ZINC000816519542 727170947 /nfs/dbraw/zinc/17/09/47/727170947.db2.gz NFCZUJZSSVBDQN-UHFFFAOYSA-N 1 1 369.912 3.175 20 10 FGCDMO COc1cc(OC)cc([C@@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816550151 727173965 /nfs/dbraw/zinc/17/39/65/727173965.db2.gz JMXGMQBZSPKNAB-KRWDZBQOSA-N 1 1 355.793 3.025 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](O)C23CCCC3)c1O ZINC000816630749 727182326 /nfs/dbraw/zinc/18/23/26/727182326.db2.gz QIESOFMLPQXQHI-AWEZNQCLSA-N 1 1 356.260 3.043 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCCO[C@H](C(C)C)C2)c1O ZINC000816676028 727188471 /nfs/dbraw/zinc/18/84/71/727188471.db2.gz QSTLNECXSUTLNS-HNNXBMFYSA-N 1 1 358.276 3.410 20 10 FGCDMO CC[NH+]1CCC(N2CCC[N@H+](Cc3c([O-])cccc3Cl)CC2)CC1 ZINC000817413736 727249059 /nfs/dbraw/zinc/24/90/59/727249059.db2.gz DBHHTYLYPLVBRT-UHFFFAOYSA-N 1 1 351.922 3.038 20 10 FGCDMO CC[NH+]1CCC(N2CCC[N@@H+](Cc3c([O-])cccc3Cl)CC2)CC1 ZINC000817413736 727249060 /nfs/dbraw/zinc/24/90/60/727249060.db2.gz DBHHTYLYPLVBRT-UHFFFAOYSA-N 1 1 351.922 3.038 20 10 FGCDMO OCC1([C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C2CCOCC2)CCC1 ZINC000822526063 729190345 /nfs/dbraw/zinc/19/03/45/729190345.db2.gz PVLXXEOEARCVLP-QGZVFWFLSA-N 1 1 357.853 3.232 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(C(C)(C)C)C1=O ZINC000822659007 729206273 /nfs/dbraw/zinc/20/62/73/729206273.db2.gz IRYZOOAPINQIIT-AWEZNQCLSA-N 1 1 369.303 3.376 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1 ZINC000824715143 729356400 /nfs/dbraw/zinc/35/64/00/729356400.db2.gz IEMKZUBYEIQITF-UHFFFAOYSA-N 1 1 369.303 3.344 20 10 FGCDMO CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824894436 729363801 /nfs/dbraw/zinc/36/38/01/729363801.db2.gz FDFJNOVFHYNORC-INIZCTEOSA-N 1 1 371.319 3.087 20 10 FGCDMO CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824894436 729363804 /nfs/dbraw/zinc/36/38/04/729363804.db2.gz FDFJNOVFHYNORC-INIZCTEOSA-N 1 1 371.319 3.087 20 10 FGCDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825129945 729372056 /nfs/dbraw/zinc/37/20/56/729372056.db2.gz IOBNMMSSNPPMDL-UZLBHIALSA-N 1 1 360.523 3.356 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124811 729372076 /nfs/dbraw/zinc/37/20/76/729372076.db2.gz YRMCJJWLQHVPRL-RNCFNFMXSA-N 1 1 368.193 3.208 20 10 FGCDMO CN1CCN(c2ccc(C[NH2+]C3CCC(OC(F)F)CC3)cc2)CC1 ZINC000825144902 729372916 /nfs/dbraw/zinc/37/29/16/729372916.db2.gz SKMLXKAMCPWUKT-UHFFFAOYSA-N 1 1 353.457 3.078 20 10 FGCDMO [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000826943742 729419616 /nfs/dbraw/zinc/41/96/16/729419616.db2.gz ZQJDGEHUSBJIRX-QGZVFWFLSA-N 1 1 364.848 3.041 20 10 FGCDMO Cc1cc(O)c(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)c(Cl)c1 ZINC000840911874 730190334 /nfs/dbraw/zinc/19/03/34/730190334.db2.gz BSTZPOCGEZOTIC-UHFFFAOYSA-N 1 1 370.831 3.263 20 10 FGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@@H]1CCC(=O)N1 ZINC000840977936 730200275 /nfs/dbraw/zinc/20/02/75/730200275.db2.gz YYHNCLLWFRRQRH-AWEZNQCLSA-N 1 1 357.420 3.260 20 10 FGCDMO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843428728 730619931 /nfs/dbraw/zinc/61/99/31/730619931.db2.gz MMKCSLYQBUNVQA-CQSZACIVSA-N 1 1 362.832 3.323 20 10 FGCDMO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000843428728 730619938 /nfs/dbraw/zinc/61/99/38/730619938.db2.gz MMKCSLYQBUNVQA-CQSZACIVSA-N 1 1 362.832 3.323 20 10 FGCDMO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)[nH]1 ZINC000848534996 731177214 /nfs/dbraw/zinc/17/72/14/731177214.db2.gz AALQVUZAPFFKLU-RKDXNWHRSA-N 1 1 369.263 3.256 20 10 FGCDMO [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350147 731251533 /nfs/dbraw/zinc/25/15/33/731251533.db2.gz LEQAKNMGHDZGQQ-CQSZACIVSA-N 1 1 353.304 3.366 20 10 FGCDMO [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849350147 731251534 /nfs/dbraw/zinc/25/15/34/731251534.db2.gz LEQAKNMGHDZGQQ-CQSZACIVSA-N 1 1 353.304 3.366 20 10 FGCDMO CC[C@@H]([NH2+]Cc1nc(C(N)=O)cs1)c1ccc(C(F)(F)F)cc1O ZINC000850541386 731371208 /nfs/dbraw/zinc/37/12/08/731371208.db2.gz VVXUSDPFUQOHRX-SNVBAGLBSA-N 1 1 359.373 3.207 20 10 FGCDMO CCCC[N@@H+](Cc1ccc(S(=O)(=O)NC)cc1)Cc1ccccc1O ZINC000852018724 731533399 /nfs/dbraw/zinc/53/33/99/731533399.db2.gz PVLIPDDAOTVRIJ-UHFFFAOYSA-N 1 1 362.495 3.103 20 10 FGCDMO C[N@H+](Cc1c(O)ccc2cc(Br)ccc21)C[C@H]1COCCO1 ZINC000853558284 731722783 /nfs/dbraw/zinc/72/27/83/731722783.db2.gz GNBHNLCVTCEOOT-AWEZNQCLSA-N 1 1 366.255 3.155 20 10 FGCDMO CN(C)c1cc(F)c(C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)cc1F ZINC000858177708 732189339 /nfs/dbraw/zinc/18/93/39/732189339.db2.gz NMEBNFRXLZGQBC-DOTOQJQBSA-N 1 1 368.449 3.455 20 10 FGCDMO C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000858766075 732245479 /nfs/dbraw/zinc/24/54/79/732245479.db2.gz JJBQJUUAVZBYQI-NSHDSACASA-N 1 1 360.285 3.230 20 10 FGCDMO C[N@H+]1CCCC[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000858766075 732245482 /nfs/dbraw/zinc/24/54/82/732245482.db2.gz JJBQJUUAVZBYQI-NSHDSACASA-N 1 1 360.285 3.230 20 10 FGCDMO Cc1noc([C@H]2CCC[N@@H+](Cc3c(O)cccc3Br)C2)n1 ZINC000862227413 732790232 /nfs/dbraw/zinc/79/02/32/732790232.db2.gz OHZVPWYXPUVJBI-NSHDSACASA-N 1 1 352.232 3.226 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@]2(CCO[C@H](C)C2)O1 ZINC000862353321 732813880 /nfs/dbraw/zinc/81/38/80/732813880.db2.gz KNVZJZIELZMHFK-PBFPGSCMSA-N 1 1 370.287 3.313 20 10 FGCDMO COC(=O)c1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c(F)c1 ZINC000862418429 732830323 /nfs/dbraw/zinc/83/03/23/732830323.db2.gz JCQLINFCBDZADB-UHFFFAOYSA-N 1 1 352.356 3.246 20 10 FGCDMO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1c(O)cccc1Cl ZINC000862526728 732843401 /nfs/dbraw/zinc/84/34/01/732843401.db2.gz ZCSPUBPXCVXXTQ-UHFFFAOYSA-N 1 1 358.866 3.019 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1 ZINC000865780203 733268237 /nfs/dbraw/zinc/26/82/37/733268237.db2.gz UMLKXEITEDASKI-AWEZNQCLSA-N 1 1 370.287 3.138 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)c1O ZINC000872255974 735610633 /nfs/dbraw/zinc/61/06/33/735610633.db2.gz PMGBSZGEZAOYSL-NSHDSACASA-N 1 1 366.202 3.019 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCO[C@H](C(F)F)CC2)c1O ZINC000872255974 735610635 /nfs/dbraw/zinc/61/06/35/735610635.db2.gz PMGBSZGEZAOYSL-NSHDSACASA-N 1 1 366.202 3.019 20 10 FGCDMO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883119946 737526363 /nfs/dbraw/zinc/52/63/63/737526363.db2.gz OIZBKKZSSIFRTP-GFCCVEGCSA-N 1 1 366.330 3.094 20 10 FGCDMO CCc1[nH]c(C[NH2+]Cc2cccc(Br)c2O)cc1C(=O)OC ZINC000894570589 742300057 /nfs/dbraw/zinc/30/00/57/742300057.db2.gz AXHHYEXKFBTZDL-UHFFFAOYSA-N 1 1 367.243 3.122 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C1N=NC(=O)N1C ZINC000895171701 742384074 /nfs/dbraw/zinc/38/40/74/742384074.db2.gz KTEVWCFTFVZKRP-ZDUSSCGKSA-N 1 1 357.483 3.069 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1O ZINC000895847876 742462555 /nfs/dbraw/zinc/46/25/55/742462555.db2.gz WWBIOKYRBYGRGX-BXUZGUMPSA-N 1 1 356.260 3.164 20 10 FGCDMO Cn1ccc(-c2nc(C[NH2+]Cc3ccc4c(c3)CCCN4C)cs2)n1 ZINC000921624360 758757883 /nfs/dbraw/zinc/75/78/83/758757883.db2.gz CHDFDVGSEXRFDN-UHFFFAOYSA-N 1 1 353.495 3.216 20 10 FGCDMO c1csc(C[C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000932195052 761079622 /nfs/dbraw/zinc/07/96/22/761079622.db2.gz NSGZRBMRDVZUPV-GOSISDBHSA-N 1 1 357.523 3.434 20 10 FGCDMO Cc1ccccc1NC(=O)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000072558101 494202038 /nfs/dbraw/zinc/20/20/38/494202038.db2.gz OQAUPYUBKBPJDR-UHFFFAOYSA-N 1 1 367.493 3.292 20 10 FGCDMO CCO[C@@H](C)c1noc(C[N@H+](C)C2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000072801233 494253482 /nfs/dbraw/zinc/25/34/82/494253482.db2.gz RNNIDGMFHGMMRG-HNNXBMFYSA-N 1 1 374.485 3.277 20 10 FGCDMO CCO[C@@H](C)c1noc(C[N@@H+](C)C2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000072801233 494253485 /nfs/dbraw/zinc/25/34/85/494253485.db2.gz RNNIDGMFHGMMRG-HNNXBMFYSA-N 1 1 374.485 3.277 20 10 FGCDMO Cc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)n1-c1ccccn1 ZINC000080714578 494774299 /nfs/dbraw/zinc/77/42/99/494774299.db2.gz LQEILNPKIDRNQQ-AYHJJNSGSA-N 1 1 352.482 3.234 20 10 FGCDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+](C)Cc1ccccc1O ZINC000109770673 494916742 /nfs/dbraw/zinc/91/67/42/494916742.db2.gz RBDPLBUCIWIYAL-CQSZACIVSA-N 1 1 356.422 3.013 20 10 FGCDMO CC[N@@H+](Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1)C(C)C ZINC000122388752 494967815 /nfs/dbraw/zinc/96/78/15/494967815.db2.gz AFTHIXRMRBYRSH-UHFFFAOYSA-N 1 1 356.466 3.301 20 10 FGCDMO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1[O-] ZINC000185414979 495569616 /nfs/dbraw/zinc/56/96/16/495569616.db2.gz ROOAUVGWWFBCIT-UKRRQHHQSA-N 1 1 371.319 3.042 20 10 FGCDMO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1[O-] ZINC000185414979 495569622 /nfs/dbraw/zinc/56/96/22/495569622.db2.gz ROOAUVGWWFBCIT-UKRRQHHQSA-N 1 1 371.319 3.042 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000179942071 495794597 /nfs/dbraw/zinc/79/45/97/495794597.db2.gz ODXYZNSQMVXZGM-CQSZACIVSA-N 1 1 363.479 3.387 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000179942071 495794598 /nfs/dbraw/zinc/79/45/98/495794598.db2.gz ODXYZNSQMVXZGM-CQSZACIVSA-N 1 1 363.479 3.387 20 10 FGCDMO CCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CCN(CC)CC3)c(F)c2)cn1 ZINC000155290483 495906578 /nfs/dbraw/zinc/90/65/78/495906578.db2.gz TYUANKRGZNFXQA-MRXNPFEDSA-N 1 1 359.493 3.035 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1OC ZINC000160482045 495972350 /nfs/dbraw/zinc/97/23/50/495972350.db2.gz OYOFHGFVAFXFDU-NRFANRHFSA-N 1 1 355.434 3.083 20 10 FGCDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180847832 496170059 /nfs/dbraw/zinc/17/00/59/496170059.db2.gz SEEHVKIYTIAPLD-DEYRLNKFSA-N 1 1 363.417 3.483 20 10 FGCDMO O=C(CCc1ccncc1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158073430 496622134 /nfs/dbraw/zinc/62/21/34/496622134.db2.gz UAWGGHFIWHGRRG-GOSISDBHSA-N 1 1 373.884 3.154 20 10 FGCDMO CC[C@H](c1ccncc1)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000179162581 496697699 /nfs/dbraw/zinc/69/76/99/496697699.db2.gz BNLCHIFMWCXGBE-HXUWFJFHSA-N 1 1 354.498 3.189 20 10 FGCDMO CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000179162581 496697702 /nfs/dbraw/zinc/69/77/02/496697702.db2.gz BNLCHIFMWCXGBE-HXUWFJFHSA-N 1 1 354.498 3.189 20 10 FGCDMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000167896206 496707313 /nfs/dbraw/zinc/70/73/13/496707313.db2.gz DGMRKZUXJRGABA-LPHOPBHVSA-N 1 1 369.513 3.424 20 10 FGCDMO Cc1cc(N2CCC([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])CC2)nc(C)[nH+]1 ZINC000273566099 496841430 /nfs/dbraw/zinc/84/14/30/496841430.db2.gz JPAVUYCOLZUTDE-ZDUSSCGKSA-N 1 1 371.441 3.027 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264244543 496850596 /nfs/dbraw/zinc/85/05/96/496850596.db2.gz XTAWXGZRLOFGCQ-LJQANCHMSA-N 1 1 367.493 3.098 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278448904 497117299 /nfs/dbraw/zinc/11/72/99/497117299.db2.gz XNOLMOOQXTYTMF-XPTSAGLGSA-N 1 1 353.768 3.189 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000278573496 497155827 /nfs/dbraw/zinc/15/58/27/497155827.db2.gz DBCVXCDIDNMLLD-NSHDSACASA-N 1 1 359.382 3.118 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000271196416 497287611 /nfs/dbraw/zinc/28/76/11/497287611.db2.gz UQYGFNQIQQPCRS-UHFFFAOYSA-N 1 1 351.494 3.489 20 10 FGCDMO C[C@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1cccs1 ZINC000255572541 497370128 /nfs/dbraw/zinc/37/01/28/497370128.db2.gz SDSMBTQPYICTDR-DOTOQJQBSA-N 1 1 374.506 3.312 20 10 FGCDMO C[C@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1cccs1 ZINC000255572541 497370134 /nfs/dbraw/zinc/37/01/34/497370134.db2.gz SDSMBTQPYICTDR-DOTOQJQBSA-N 1 1 374.506 3.312 20 10 FGCDMO COc1ccc(O)c(C[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000271738508 497435239 /nfs/dbraw/zinc/43/52/39/497435239.db2.gz POORIJCVWVDFFG-UHFFFAOYSA-N 1 1 354.450 3.137 20 10 FGCDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(OC)c(OC)cc1O ZINC000271804973 497456702 /nfs/dbraw/zinc/45/67/02/497456702.db2.gz LZVLOVCNVYMBAH-UHFFFAOYSA-N 1 1 361.438 3.449 20 10 FGCDMO CC(C)[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)N1CCN(C)CC1 ZINC000194260808 497617065 /nfs/dbraw/zinc/61/70/65/497617065.db2.gz VBHJTFVHRPCDTQ-UTKZUKDTSA-N 1 1 355.526 3.468 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+](CCCO)Cc3ccccn3)cc2)CC1 ZINC000296123051 497927923 /nfs/dbraw/zinc/92/79/23/497927923.db2.gz WBWVYFCAIYHYCK-UHFFFAOYSA-N 1 1 369.509 3.081 20 10 FGCDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C2 ZINC000289412888 498136563 /nfs/dbraw/zinc/13/65/63/498136563.db2.gz HDBSAQJCUPPXBG-KRWDZBQOSA-N 1 1 352.482 3.011 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)ccc1[N+](=O)[O-] ZINC000292849997 498169763 /nfs/dbraw/zinc/16/97/63/498169763.db2.gz TZLPHANFFUJABL-HWPZZCPQSA-N 1 1 364.423 3.163 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c1 ZINC000289583313 498204496 /nfs/dbraw/zinc/20/44/96/498204496.db2.gz BPTOYQVTSQJACE-OAHLLOKOSA-N 1 1 369.465 3.333 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289857886 498325180 /nfs/dbraw/zinc/32/51/80/498325180.db2.gz VIEPGHQXWQQLCP-CMPLNLGQSA-N 1 1 353.768 3.047 20 10 FGCDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000297176663 498345502 /nfs/dbraw/zinc/34/55/02/498345502.db2.gz PUVZJMFTELVRTA-IBGZPJMESA-N 1 1 373.541 3.040 20 10 FGCDMO Cc1cc(N2CCC([NH2+]Cc3cc(Cl)c(F)cc3[O-])CC2)nc(C)[nH+]1 ZINC000293626574 498434181 /nfs/dbraw/zinc/43/41/81/498434181.db2.gz MWGNKYFRZPHOEY-UHFFFAOYSA-N 1 1 364.852 3.350 20 10 FGCDMO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295064582 498897265 /nfs/dbraw/zinc/89/72/65/498897265.db2.gz PRCYWTYQLFPGSD-FQEVSTJZSA-N 1 1 359.558 3.466 20 10 FGCDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295064582 498897267 /nfs/dbraw/zinc/89/72/67/498897267.db2.gz PRCYWTYQLFPGSD-FQEVSTJZSA-N 1 1 359.558 3.466 20 10 FGCDMO COc1ccc(N2CCC([N@H+](C)Cc3nnc(C(C)C)n3C)CC2)cc1 ZINC000369815942 499132873 /nfs/dbraw/zinc/13/28/73/499132873.db2.gz JXWRBVNBOUWBNV-UHFFFAOYSA-N 1 1 357.502 3.048 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3nnc(C(C)C)n3C)CC2)cc1 ZINC000369815942 499132875 /nfs/dbraw/zinc/13/28/75/499132875.db2.gz JXWRBVNBOUWBNV-UHFFFAOYSA-N 1 1 357.502 3.048 20 10 FGCDMO CCN1CCC[C@@H](C[N@@H+](C)Cc2cccc(C)c2O)[C@@H]1c1cnn(C)c1 ZINC000372537765 499142731 /nfs/dbraw/zinc/14/27/31/499142731.db2.gz CQGBNGVXIZUDNT-FXAWDEMLSA-N 1 1 356.514 3.339 20 10 FGCDMO COc1cc(Cl)cc(C[NH2+][C@H](c2nc(C)no2)C2CCOCC2)c1O ZINC000372579155 499148859 /nfs/dbraw/zinc/14/88/59/499148859.db2.gz VWPPGBRVKJPSQK-HNNXBMFYSA-N 1 1 367.833 3.003 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(F)c(F)c1[O-] ZINC000372617033 499154435 /nfs/dbraw/zinc/15/44/35/499154435.db2.gz HIEMQPFARZROAY-SZOQZIPDSA-N 1 1 354.441 3.210 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000370649889 499240039 /nfs/dbraw/zinc/24/00/39/499240039.db2.gz IGQFXNXOHCPSOX-OAHLLOKOSA-N 1 1 371.437 3.315 20 10 FGCDMO CCCOc1ccc(C[N@@H+](C)C2CCN(c3ncccn3)CC2)c(O)c1 ZINC000371420862 499324353 /nfs/dbraw/zinc/32/43/53/499324353.db2.gz HMRBFPCSPKKBKB-UHFFFAOYSA-N 1 1 356.470 3.072 20 10 FGCDMO CCS(=O)(=O)CCCCC[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368957627 499350769 /nfs/dbraw/zinc/35/07/69/499350769.db2.gz DUUSBYMXGHSWPG-UHFFFAOYSA-N 1 1 350.528 3.057 20 10 FGCDMO CCS(=O)(=O)CCCCC[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368957627 499350771 /nfs/dbraw/zinc/35/07/71/499350771.db2.gz DUUSBYMXGHSWPG-UHFFFAOYSA-N 1 1 350.528 3.057 20 10 FGCDMO CCc1nccc([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000372442838 499435292 /nfs/dbraw/zinc/43/52/92/499435292.db2.gz ZYEBTBLDDWSJNV-IBGZPJMESA-N 1 1 366.509 3.255 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608678 499479579 /nfs/dbraw/zinc/47/95/79/499479579.db2.gz LKFBIHAXUZEYCX-CHWSQXEVSA-N 1 1 361.467 3.269 20 10 FGCDMO O=C1NC[C@@]2(CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)O1 ZINC000375558634 499532245 /nfs/dbraw/zinc/53/22/45/499532245.db2.gz RWWLYTSOJHWCHO-OAQYLSRUSA-N 1 1 368.433 3.046 20 10 FGCDMO CC[C@@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(F)cc1O ZINC000375852650 499562347 /nfs/dbraw/zinc/56/23/47/499562347.db2.gz ODUFGFLNCBEQMA-DOTOQJQBSA-N 1 1 374.460 3.497 20 10 FGCDMO CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Br)ccc1O ZINC000377757155 499729342 /nfs/dbraw/zinc/72/93/42/499729342.db2.gz UHUOUBKDTVZDTL-YPMHNXCESA-N 1 1 350.260 3.476 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2ccco2)C1 ZINC000435668366 501008659 /nfs/dbraw/zinc/00/86/59/501008659.db2.gz XXZXNTHZXMMYBZ-UHFFFAOYSA-N 1 1 365.477 3.360 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](C)[C@H]2C)C1 ZINC000435911267 501045492 /nfs/dbraw/zinc/04/54/92/501045492.db2.gz KGCODUPZVHCSMQ-SJORKVTESA-N 1 1 369.509 3.044 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[C@@H](C)O2)C1 ZINC000457361583 501687339 /nfs/dbraw/zinc/68/73/39/501687339.db2.gz KRNHMIWTBXXEEN-SJORKVTESA-N 1 1 369.509 3.092 20 10 FGCDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000472223676 502276320 /nfs/dbraw/zinc/27/63/20/502276320.db2.gz UOUKWJIVAKVVQL-SJORKVTESA-N 1 1 354.498 3.255 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000490406604 503168786 /nfs/dbraw/zinc/16/87/86/503168786.db2.gz HJGKAJOIQAZDPE-GQIGUUNPSA-N 1 1 368.525 3.358 20 10 FGCDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C[C@@H]1C ZINC000498553259 503207962 /nfs/dbraw/zinc/20/79/62/503207962.db2.gz FECKEQLTAGVPKR-HOTGVXAUSA-N 1 1 371.525 3.459 20 10 FGCDMO CCN(CC)c1ccc(CNc2[nH+]c(C)cc(C)c2-c2nn[nH]n2)cc1F ZINC000736530989 598556444 /nfs/dbraw/zinc/55/64/44/598556444.db2.gz BAINCJBPPZJPSY-UHFFFAOYSA-N 1 1 369.448 3.476 20 10 FGCDMO COc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC000092585999 700437762 /nfs/dbraw/zinc/43/77/62/700437762.db2.gz IZGRVEPMIRAJOT-OAHLLOKOSA-N 1 1 350.459 3.280 20 10 FGCDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cccc(Br)c1O ZINC000093360235 700450783 /nfs/dbraw/zinc/45/07/83/700450783.db2.gz FEFSBZDQLARWHT-NSHDSACASA-N 1 1 373.291 3.500 20 10 FGCDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cccc(Br)c1O ZINC000093360235 700450785 /nfs/dbraw/zinc/45/07/85/700450785.db2.gz FEFSBZDQLARWHT-NSHDSACASA-N 1 1 373.291 3.500 20 10 FGCDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000093476156 700451554 /nfs/dbraw/zinc/45/15/54/700451554.db2.gz MRFCFOYDYLEAEH-GOSISDBHSA-N 1 1 350.478 3.299 20 10 FGCDMO CS[C@H](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000128186654 700771860 /nfs/dbraw/zinc/77/18/60/700771860.db2.gz GMQSMICBAPHTEX-DOMZBBRYSA-N 1 1 356.919 3.268 20 10 FGCDMO [O-]c1c(Br)cccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000129473772 700788490 /nfs/dbraw/zinc/78/84/90/700788490.db2.gz PJPQZGGNXHSJFI-UHFFFAOYSA-N 1 1 367.209 3.225 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000180055966 705726266 /nfs/dbraw/zinc/72/62/66/705726266.db2.gz GCURVYMBWOEIBE-CQSZACIVSA-N 1 1 350.459 3.090 20 10 FGCDMO Oc1c(F)cccc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000374899993 713952224 /nfs/dbraw/zinc/95/22/24/713952224.db2.gz TYYJBZZRAHGGCN-UHFFFAOYSA-N 1 1 354.223 3.327 20 10 FGCDMO COCCN(CC[NH2+][C@H](C)c1ccc(F)cc1O)C(=O)OC(C)(C)C ZINC000385496495 713983756 /nfs/dbraw/zinc/98/37/56/713983756.db2.gz UDJHOZJLJBDSPL-CYBMUJFWSA-N 1 1 356.438 3.065 20 10 FGCDMO COCCN(CC[NH2+][C@@H](C)c1ccc(F)cc1O)C(=O)OC(C)(C)C ZINC000385496497 713983907 /nfs/dbraw/zinc/98/39/07/713983907.db2.gz UDJHOZJLJBDSPL-ZDUSSCGKSA-N 1 1 356.438 3.065 20 10 FGCDMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781900946 724609270 /nfs/dbraw/zinc/60/92/70/724609270.db2.gz OVKIBYJYGFDTDK-LBPRGKRZSA-N 1 1 356.260 3.238 20 10 FGCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781900946 724609274 /nfs/dbraw/zinc/60/92/74/724609274.db2.gz OVKIBYJYGFDTDK-LBPRGKRZSA-N 1 1 356.260 3.238 20 10 FGCDMO CN(C)C(=O)c1cccc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000725844236 722424588 /nfs/dbraw/zinc/42/45/88/722424588.db2.gz MTQQEIJAACWDJJ-UHFFFAOYSA-N 1 1 363.255 3.146 20 10 FGCDMO Cc1cc(C(=O)NCC[NH+]2CCSCC2)c(C)n1-c1ccc(F)cc1 ZINC000732777476 722488397 /nfs/dbraw/zinc/48/83/97/722488397.db2.gz OKYAQCQASPKLJX-UHFFFAOYSA-N 1 1 361.486 3.012 20 10 FGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000735744693 722519087 /nfs/dbraw/zinc/51/90/87/722519087.db2.gz WIDWUWZRSYEMQZ-MRXNPFEDSA-N 1 1 357.420 3.126 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000755224174 722951380 /nfs/dbraw/zinc/95/13/80/722951380.db2.gz YCRLJWYJPUASBQ-NSHDSACASA-N 1 1 373.291 3.466 20 10 FGCDMO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756872988 722970972 /nfs/dbraw/zinc/97/09/72/722970972.db2.gz FSFFFROICVLJAI-LLVKDONJSA-N 1 1 355.406 3.315 20 10 FGCDMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000789996413 723092610 /nfs/dbraw/zinc/09/26/10/723092610.db2.gz QGHPRIFKWCOFHC-KRWDZBQOSA-N 1 1 359.857 3.143 20 10 FGCDMO CC[C@H](C)[C@H](OC)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000793689966 723461136 /nfs/dbraw/zinc/46/11/36/723461136.db2.gz QXOYEPNRTPSQSX-XCRHUMRWSA-N 1 1 368.905 3.187 20 10 FGCDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766165399 723559139 /nfs/dbraw/zinc/55/91/39/723559139.db2.gz HQAPOVXFWNLTIJ-HRCADAONSA-N 1 1 351.922 3.310 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766165399 723559142 /nfs/dbraw/zinc/55/91/42/723559142.db2.gz HQAPOVXFWNLTIJ-HRCADAONSA-N 1 1 351.922 3.310 20 10 FGCDMO O=S1(=O)CCC(C[N@H+](Cc2ccccc2O)C2CCCCC2)CC1 ZINC000767398327 723617839 /nfs/dbraw/zinc/61/78/39/723617839.db2.gz MXUVLEXYLHYFCL-UHFFFAOYSA-N 1 1 351.512 3.352 20 10 FGCDMO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000768441551 723657758 /nfs/dbraw/zinc/65/77/58/723657758.db2.gz JYWAJVMLVOUUPN-MRXNPFEDSA-N 1 1 364.785 3.012 20 10 FGCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000768441551 723657760 /nfs/dbraw/zinc/65/77/60/723657760.db2.gz JYWAJVMLVOUUPN-MRXNPFEDSA-N 1 1 364.785 3.012 20 10 FGCDMO C[N@@H+](Cc1ccc(Br)s1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440707 723657762 /nfs/dbraw/zinc/65/77/62/723657762.db2.gz CBHIJTGWWUEKHX-CYBMUJFWSA-N 1 1 370.268 3.274 20 10 FGCDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768440953 723657765 /nfs/dbraw/zinc/65/77/65/723657765.db2.gz BMGPLOLEUHBBRQ-GOSISDBHSA-N 1 1 363.841 3.372 20 10 FGCDMO Cc1ccc([C@H]2CSCC[N@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)cc1 ZINC000768445846 723657925 /nfs/dbraw/zinc/65/79/25/723657925.db2.gz JSTKHUCORZYGCV-MJGOQNOKSA-N 1 1 357.475 3.417 20 10 FGCDMO COc1cc(Br)cc(CN2CCC[N@H+](C(C)(C)C)CC2)c1O ZINC000769187888 723679047 /nfs/dbraw/zinc/67/90/47/723679047.db2.gz KXJYNQGDYFSWFO-UHFFFAOYSA-N 1 1 371.319 3.470 20 10 FGCDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC000769289307 723681542 /nfs/dbraw/zinc/68/15/42/723681542.db2.gz DHMDXAFAAMWTMI-HNNXBMFYSA-N 1 1 369.303 3.378 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC3(CCOCC3)CC2)cc1F ZINC000769556736 723689750 /nfs/dbraw/zinc/68/97/50/723689750.db2.gz RJAPIOIMTKNOGJ-UHFFFAOYSA-N 1 1 350.478 3.443 20 10 FGCDMO C[C@@H]1[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CC(=O)N1Cc1ccccc1 ZINC000798506060 723938763 /nfs/dbraw/zinc/93/87/63/723938763.db2.gz YZJUXXWKOBKGAZ-WBMJQRKESA-N 1 1 362.832 3.464 20 10 FGCDMO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCCC2 ZINC000775030849 723954205 /nfs/dbraw/zinc/95/42/05/723954205.db2.gz VPIGNNTWJMBWHC-LSDHHAIUSA-N 1 1 350.415 3.136 20 10 FGCDMO Oc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000775148215 723964012 /nfs/dbraw/zinc/96/40/12/723964012.db2.gz ZJKDVTIVNQCAOO-GWCFXTLKSA-N 1 1 368.193 3.290 20 10 FGCDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000775148215 723964014 /nfs/dbraw/zinc/96/40/14/723964014.db2.gz ZJKDVTIVNQCAOO-GWCFXTLKSA-N 1 1 368.193 3.290 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(CC(=O)OC(C)C)n2)c1 ZINC000775373141 723986106 /nfs/dbraw/zinc/98/61/06/723986106.db2.gz NZDJSKGKNCONNU-GFCCVEGCSA-N 1 1 364.467 3.202 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+](C)Cc2cccc(C(N)=O)c2)c1O ZINC000775657981 724017460 /nfs/dbraw/zinc/01/74/60/724017460.db2.gz JSSBEBXCRGGHFK-UHFFFAOYSA-N 1 1 363.255 3.194 20 10 FGCDMO O=C(/C=C/c1ccccc1)NCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000800312528 724180370 /nfs/dbraw/zinc/18/03/70/724180370.db2.gz IDBUFLGNEKJERZ-JXMROGBWSA-N 1 1 362.832 3.494 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000805071478 725048086 /nfs/dbraw/zinc/04/80/86/725048086.db2.gz VENYCXZPRXRYCY-KBPBESRZSA-N 1 1 358.269 3.125 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000805071478 725048088 /nfs/dbraw/zinc/04/80/88/725048088.db2.gz VENYCXZPRXRYCY-KBPBESRZSA-N 1 1 358.269 3.125 20 10 FGCDMO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805181004 725054821 /nfs/dbraw/zinc/05/48/21/725054821.db2.gz FSQIGYCSOVTSDD-NSHDSACASA-N 1 1 360.285 3.373 20 10 FGCDMO C[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)[NH+]1CCCCC1 ZINC000805182993 725055204 /nfs/dbraw/zinc/05/52/04/725055204.db2.gz ZIHAGNCDVYRSMO-NSHDSACASA-N 1 1 360.285 3.373 20 10 FGCDMO C[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C[N@@H+]1C1CC1 ZINC000805191116 725055539 /nfs/dbraw/zinc/05/55/39/725055539.db2.gz ROKNPPPJSXUEOV-SKDRFNHKSA-N 1 1 358.269 3.123 20 10 FGCDMO C[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C[N@H+]1C1CC1 ZINC000805191116 725055541 /nfs/dbraw/zinc/05/55/41/725055541.db2.gz ROKNPPPJSXUEOV-SKDRFNHKSA-N 1 1 358.269 3.123 20 10 FGCDMO C[C@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C[N@@H+]1C1CC1 ZINC000805191115 725055581 /nfs/dbraw/zinc/05/55/81/725055581.db2.gz ROKNPPPJSXUEOV-JOYOIKCWSA-N 1 1 358.269 3.123 20 10 FGCDMO C[C@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C[N@H+]1C1CC1 ZINC000805191115 725055583 /nfs/dbraw/zinc/05/55/83/725055583.db2.gz ROKNPPPJSXUEOV-JOYOIKCWSA-N 1 1 358.269 3.123 20 10 FGCDMO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805224773 725057203 /nfs/dbraw/zinc/05/72/03/725057203.db2.gz XCCLVHSBPYVYNJ-STQMWFEESA-N 1 1 360.285 3.371 20 10 FGCDMO C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1=CC[N@H+](C)CC1 ZINC000805275617 725061280 /nfs/dbraw/zinc/06/12/80/725061280.db2.gz MBLWRMAHTKQFJC-JTQLQIEISA-N 1 1 358.269 3.149 20 10 FGCDMO C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1=CC[N@@H+](C)CC1 ZINC000805275617 725061283 /nfs/dbraw/zinc/06/12/83/725061283.db2.gz MBLWRMAHTKQFJC-JTQLQIEISA-N 1 1 358.269 3.149 20 10 FGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000808706503 725214405 /nfs/dbraw/zinc/21/44/05/725214405.db2.gz LNOFHOMVQLNUSU-KKXDTOCCSA-N 1 1 352.906 3.382 20 10 FGCDMO CCCN(CC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809704984 725260661 /nfs/dbraw/zinc/26/06/61/725260661.db2.gz KFLNHQIBBLWKSI-UHFFFAOYSA-N 1 1 351.447 3.007 20 10 FGCDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000809713989 725261936 /nfs/dbraw/zinc/26/19/36/725261936.db2.gz SRISHBHMZTUZIY-CQSZACIVSA-N 1 1 355.276 3.035 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c(O)c1 ZINC000809720326 725262383 /nfs/dbraw/zinc/26/23/83/725262383.db2.gz DCYWLKXRIYBICQ-MRXNPFEDSA-N 1 1 350.459 3.280 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000810252229 725299976 /nfs/dbraw/zinc/29/99/76/725299976.db2.gz AMPBKARKTIRIGT-ZIAGYGMSSA-N 1 1 360.889 3.108 20 10 FGCDMO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1F ZINC000811877335 725383737 /nfs/dbraw/zinc/38/37/37/725383737.db2.gz LNAOOGJHKSGOPQ-OAHLLOKOSA-N 1 1 352.498 3.200 20 10 FGCDMO Oc1c(F)cc(Cl)cc1CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000812779031 726809967 /nfs/dbraw/zinc/80/99/67/726809967.db2.gz TYTQLRBYSXFQSO-INIZCTEOSA-N 1 1 350.821 3.363 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1O ZINC000814178446 726945560 /nfs/dbraw/zinc/94/55/60/726945560.db2.gz PZQGHYNRJYOYHW-CQSZACIVSA-N 1 1 370.287 3.412 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(C(F)(F)F)c1O ZINC000815592908 727085373 /nfs/dbraw/zinc/08/53/73/727085373.db2.gz VQWABUPLULUJFC-KWQFWETISA-N 1 1 370.293 3.225 20 10 FGCDMO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000815615686 727086710 /nfs/dbraw/zinc/08/67/10/727086710.db2.gz VBFZHIGWLBEKTO-WDEREUQCSA-N 1 1 351.390 3.029 20 10 FGCDMO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(C)(F)F ZINC000815835525 727101023 /nfs/dbraw/zinc/10/10/23/727101023.db2.gz WSRQOZRMMFJZCZ-SMDDNHRTSA-N 1 1 360.832 3.418 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000816532139 727172500 /nfs/dbraw/zinc/17/25/00/727172500.db2.gz SHTFZOZQIMJMHC-SFHVURJKSA-N 1 1 364.848 3.348 20 10 FGCDMO O=C1OCCN1c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816567104 727176464 /nfs/dbraw/zinc/17/64/64/727176464.db2.gz QJYPBEGZJHHMQB-UHFFFAOYSA-N 1 1 350.777 3.431 20 10 FGCDMO COC(=O)[C@](C)(C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816588867 727178234 /nfs/dbraw/zinc/17/82/34/727178234.db2.gz CYSCYWLELIGJIT-GOSISDBHSA-N 1 1 351.805 3.405 20 10 FGCDMO C[C@@H]1[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CC(=O)N1Cc1ccccc1 ZINC000816599265 727179071 /nfs/dbraw/zinc/17/90/71/727179071.db2.gz HQOZUZXXGPSYPZ-PXAZEXFGSA-N 1 1 362.832 3.464 20 10 FGCDMO COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817941377 727288812 /nfs/dbraw/zinc/28/88/12/727288812.db2.gz JPDQBNGDFHYXLP-GUYCJALGSA-N 1 1 362.543 3.057 20 10 FGCDMO OCC1([C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C2CCOCC2)CCC1 ZINC000822526060 729190408 /nfs/dbraw/zinc/19/04/08/729190408.db2.gz PVLXXEOEARCVLP-KRWDZBQOSA-N 1 1 357.853 3.232 20 10 FGCDMO Oc1ccc(Br)cc1C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000824811207 729359862 /nfs/dbraw/zinc/35/98/62/729359862.db2.gz XVBPQRIVNAJJBL-UHFFFAOYSA-N 1 1 366.234 3.011 20 10 FGCDMO C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C[C@@H]1n1ccnc1 ZINC000824928053 729365424 /nfs/dbraw/zinc/36/54/24/729365424.db2.gz TUZNZTWQMLHUMK-WFASDCNBSA-N 1 1 350.260 3.434 20 10 FGCDMO COc1ccc(O)c(C[N@@H+](C)C[C@@H](O)c2ccccc2Br)c1 ZINC000825305534 729378034 /nfs/dbraw/zinc/37/80/34/729378034.db2.gz MOVBFGAMXAGAFV-QGZVFWFLSA-N 1 1 366.255 3.329 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC([C@@H]3CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC000827377472 729429545 /nfs/dbraw/zinc/42/95/45/729429545.db2.gz YXHSHZSFVKFLST-INIZCTEOSA-N 1 1 350.415 3.090 20 10 FGCDMO Cc1cc(C(=O)C[NH+]2CCC(CO)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827410921 729429830 /nfs/dbraw/zinc/42/98/30/729429830.db2.gz BJUGZLTXMNPAHW-UHFFFAOYSA-N 1 1 361.873 3.030 20 10 FGCDMO COC[C@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C1 ZINC000827873437 729436315 /nfs/dbraw/zinc/43/63/15/729436315.db2.gz UYSOBACEVILYBC-HNNXBMFYSA-N 1 1 361.873 3.294 20 10 FGCDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)ccc1N1CCCCC1 ZINC000831782737 729667405 /nfs/dbraw/zinc/66/74/05/729667405.db2.gz WTPSNDWDMVFIMA-LJQANCHMSA-N 1 1 364.555 3.384 20 10 FGCDMO Cc1cc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)ccc1N1CCCCC1 ZINC000831782737 729667409 /nfs/dbraw/zinc/66/74/09/729667409.db2.gz WTPSNDWDMVFIMA-LJQANCHMSA-N 1 1 364.555 3.384 20 10 FGCDMO CCCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000835024925 729850343 /nfs/dbraw/zinc/85/03/43/729850343.db2.gz DPZVWCGDIYGLSC-RURPWVQCSA-N 1 1 350.528 3.055 20 10 FGCDMO CCCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000835024925 729850347 /nfs/dbraw/zinc/85/03/47/729850347.db2.gz DPZVWCGDIYGLSC-RURPWVQCSA-N 1 1 350.528 3.055 20 10 FGCDMO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCCCO1 ZINC000837483479 730034318 /nfs/dbraw/zinc/03/43/18/730034318.db2.gz AVYSHEAFOKBLRD-APWZRJJASA-N 1 1 366.889 3.085 20 10 FGCDMO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1cccc(C(F)(F)F)c1O ZINC000840888928 730188436 /nfs/dbraw/zinc/18/84/36/730188436.db2.gz BDNYGMVDCNPLAY-NSHDSACASA-N 1 1 365.417 3.277 20 10 FGCDMO [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126620 730588719 /nfs/dbraw/zinc/58/87/19/730588719.db2.gz LWGITGGNTOJKJV-ZIAGYGMSSA-N 1 1 353.304 3.366 20 10 FGCDMO [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126620 730588722 /nfs/dbraw/zinc/58/87/22/730588722.db2.gz LWGITGGNTOJKJV-ZIAGYGMSSA-N 1 1 353.304 3.366 20 10 FGCDMO [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126640 730588814 /nfs/dbraw/zinc/58/88/14/730588814.db2.gz MLIRQBBIICTLNC-KGLIPLIRSA-N 1 1 353.304 3.366 20 10 FGCDMO CC[N@@H+](CCCc1cncn1C)Cc1cc(Br)ccc1O ZINC000846809169 730982643 /nfs/dbraw/zinc/98/26/43/730982643.db2.gz XNVUGEMPFAPCFP-UHFFFAOYSA-N 1 1 352.276 3.343 20 10 FGCDMO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000852587483 731605805 /nfs/dbraw/zinc/60/58/05/731605805.db2.gz YVRSFDAQZUOOME-OAHLLOKOSA-N 1 1 351.878 3.252 20 10 FGCDMO Cc1cc(Cl)cc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c1O ZINC000857057820 732098278 /nfs/dbraw/zinc/09/82/78/732098278.db2.gz FDAVJSJGSVESOV-INIZCTEOSA-N 1 1 351.855 3.113 20 10 FGCDMO CCO[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000860241901 732480214 /nfs/dbraw/zinc/48/02/14/732480214.db2.gz MZTJELHLFTZIDH-SJLPKXTDSA-N 1 1 368.905 3.187 20 10 FGCDMO CCOC(=O)c1cccc(C[NH2+]Cc2cccc(Br)c2O)n1 ZINC000862348822 732812569 /nfs/dbraw/zinc/81/25/69/732812569.db2.gz WQVRUIFEUIDGTF-UHFFFAOYSA-N 1 1 365.227 3.016 20 10 FGCDMO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000895607099 742432664 /nfs/dbraw/zinc/43/26/64/742432664.db2.gz LCCDSJGZUZWAEK-CRICUBBOSA-N 1 1 367.474 3.251 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000895847878 742462354 /nfs/dbraw/zinc/46/23/54/742462354.db2.gz WWBIOKYRBYGRGX-RISCZKNCSA-N 1 1 356.260 3.164 20 10 FGCDMO COc1c([O-])c(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)ccc1[N+](=O)[O-] ZINC000896226212 742517301 /nfs/dbraw/zinc/51/73/01/742517301.db2.gz DJJZRWUQUKGYNY-ZDUSSCGKSA-N 1 1 364.295 3.175 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)ccc1[N+](=O)[O-] ZINC000896226212 742517304 /nfs/dbraw/zinc/51/73/04/742517304.db2.gz DJJZRWUQUKGYNY-ZDUSSCGKSA-N 1 1 364.295 3.175 20 10 FGCDMO COc1c(O)c(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)ccc1[N+](=O)[O-] ZINC000896226212 742517305 /nfs/dbraw/zinc/51/73/05/742517305.db2.gz DJJZRWUQUKGYNY-ZDUSSCGKSA-N 1 1 364.295 3.175 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1cc(Br)c(F)cc1O ZINC000903391456 743844405 /nfs/dbraw/zinc/84/44/05/743844405.db2.gz YPOQUYASIUKJDQ-MEBBXXQBSA-N 1 1 374.250 3.283 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2cc(C3CC3)n(C)n2)c1 ZINC000922954344 759038406 /nfs/dbraw/zinc/03/84/06/759038406.db2.gz DTQSSKAFWPTYKV-UHFFFAOYSA-N 1 1 350.260 3.364 20 10 FGCDMO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(F)ccc1O ZINC000779012469 724380689 /nfs/dbraw/zinc/38/06/89/724380689.db2.gz DVVKHCIOMBMZSJ-UHFFFAOYSA-N 1 1 353.340 3.375 20 10 FGCDMO COc1ccc(N2CCC([N@H+](C)Cc3nc(CC(C)C)no3)CC2)cc1 ZINC000072801212 494252857 /nfs/dbraw/zinc/25/28/57/494252857.db2.gz SROUIEKNYOAGPA-UHFFFAOYSA-N 1 1 358.486 3.378 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3nc(CC(C)C)no3)CC2)cc1 ZINC000072801212 494252859 /nfs/dbraw/zinc/25/28/59/494252859.db2.gz SROUIEKNYOAGPA-UHFFFAOYSA-N 1 1 358.486 3.378 20 10 FGCDMO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1O ZINC000091920883 494720956 /nfs/dbraw/zinc/72/09/56/494720956.db2.gz JIACHBOCBLGJQH-HOTGVXAUSA-N 1 1 363.479 3.177 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1O ZINC000091920883 494720961 /nfs/dbraw/zinc/72/09/61/494720961.db2.gz JIACHBOCBLGJQH-HOTGVXAUSA-N 1 1 363.479 3.177 20 10 FGCDMO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000092753992 494735900 /nfs/dbraw/zinc/73/59/00/494735900.db2.gz ANXAEOXXUMFNEX-UHFFFAOYSA-N 1 1 366.509 3.300 20 10 FGCDMO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000134265619 495128204 /nfs/dbraw/zinc/12/82/04/495128204.db2.gz JOXKNQDQQLNASC-KSSFIOAISA-N 1 1 373.884 3.325 20 10 FGCDMO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000184342001 496342803 /nfs/dbraw/zinc/34/28/03/496342803.db2.gz VFIFNVOSOIEBST-KRWDZBQOSA-N 1 1 360.527 3.217 20 10 FGCDMO CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)C1 ZINC000273591931 496848240 /nfs/dbraw/zinc/84/82/40/496848240.db2.gz PNCUFEDXIILKSY-MPGHIAIKSA-N 1 1 365.474 3.088 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H]2CCCOc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC000278299950 497067129 /nfs/dbraw/zinc/06/71/29/497067129.db2.gz CQLNXGYNXSENMA-AWEZNQCLSA-N 1 1 362.357 3.452 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000278451320 497119163 /nfs/dbraw/zinc/11/91/63/497119163.db2.gz XYPALKOWWQCDAK-XOBRGWDASA-N 1 1 374.437 3.028 20 10 FGCDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237192379 497202904 /nfs/dbraw/zinc/20/29/04/497202904.db2.gz MWXLOIAYLZRSAC-UHFFFAOYSA-N 1 1 351.494 3.182 20 10 FGCDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000274974700 497209009 /nfs/dbraw/zinc/20/90/09/497209009.db2.gz DTDIPDRLCONRBF-CYBMUJFWSA-N 1 1 352.356 3.046 20 10 FGCDMO CCOCc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OC ZINC000278801911 497225243 /nfs/dbraw/zinc/22/52/43/497225243.db2.gz XRTLJQCIYHHXOY-UHFFFAOYSA-N 1 1 370.409 3.306 20 10 FGCDMO c1ccc(CN2CC[C@@H](C[NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000192932109 497251335 /nfs/dbraw/zinc/25/13/35/497251335.db2.gz JXKKMXXNVQEHRL-QFIPXVFZSA-N 1 1 365.521 3.135 20 10 FGCDMO Cc1[nH+]ccn1CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000266744277 497410933 /nfs/dbraw/zinc/41/09/33/497410933.db2.gz BXCJKUWSLMFEDD-UHFFFAOYSA-N 1 1 356.470 3.442 20 10 FGCDMO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](C)c1ccccc1Cl)cc2=O ZINC000271705486 497424913 /nfs/dbraw/zinc/42/49/13/497424913.db2.gz IFUIHPJARHYNTD-NSHDSACASA-N 1 1 374.828 3.116 20 10 FGCDMO C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1=CC[N@@H+](C)CC1 ZINC000273024138 497786180 /nfs/dbraw/zinc/78/61/80/497786180.db2.gz UFPOECQMOUNFDF-INIZCTEOSA-N 1 1 356.514 3.077 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)cc2)CC1 ZINC000295953214 497866662 /nfs/dbraw/zinc/86/66/62/497866662.db2.gz ITXWYSSWNXVRFV-SPEDKVCISA-N 1 1 374.525 3.070 20 10 FGCDMO O=C(Nc1nccs1)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000364515099 497996785 /nfs/dbraw/zinc/99/67/85/497996785.db2.gz VGRADDSFKRGFMV-UHFFFAOYSA-N 1 1 369.849 3.492 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C(F)(F)F)n2)c1 ZINC000296508411 498072149 /nfs/dbraw/zinc/07/21/49/498072149.db2.gz PKRHAMOEHHBKRK-SNVBAGLBSA-N 1 1 354.328 3.443 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000296946173 498262427 /nfs/dbraw/zinc/26/24/27/498262427.db2.gz HFCNDAJJAWFMQT-VCSGRIEYSA-N 1 1 370.541 3.347 20 10 FGCDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000297176678 498344779 /nfs/dbraw/zinc/34/47/79/498344779.db2.gz PUVZJMFTELVRTA-LJQANCHMSA-N 1 1 373.541 3.040 20 10 FGCDMO CSCc1cnc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000293471992 498397051 /nfs/dbraw/zinc/39/70/51/498397051.db2.gz FACYXEQZAHOQMZ-UHFFFAOYSA-N 1 1 367.515 3.272 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(F)cc1O ZINC000363858863 499028508 /nfs/dbraw/zinc/02/85/08/499028508.db2.gz RNHKJOFLPYLTCR-YOEHRIQHSA-N 1 1 366.440 3.379 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCN2C(C)=O)c1O ZINC000366690726 499035264 /nfs/dbraw/zinc/03/52/64/499035264.db2.gz QDCFHMGVUWQBFR-HOTGVXAUSA-N 1 1 352.862 3.030 20 10 FGCDMO C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(Br)cc(F)c1[O-] ZINC000366732097 499052787 /nfs/dbraw/zinc/05/27/87/499052787.db2.gz WBZGVFMCSCSBIY-WDEREUQCSA-N 1 1 368.250 3.404 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(OC(F)F)c2)c1 ZINC000284437188 499107891 /nfs/dbraw/zinc/10/78/91/499107891.db2.gz SMWVIKHOTYMEJC-JTQLQIEISA-N 1 1 352.337 3.026 20 10 FGCDMO COc1cc(Cl)cc(C[NH2+][C@@H](c2nc(C)no2)C2CCOCC2)c1O ZINC000372579156 499149042 /nfs/dbraw/zinc/14/90/42/499149042.db2.gz VWPPGBRVKJPSQK-OAHLLOKOSA-N 1 1 367.833 3.003 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)c1O ZINC000367557922 499212296 /nfs/dbraw/zinc/21/22/96/499212296.db2.gz VJBKJLAOLIRTJW-UHFFFAOYSA-N 1 1 371.456 3.225 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C2CCN(Cc3ccncc3)CC2)c1O ZINC000367557922 499212298 /nfs/dbraw/zinc/21/22/98/499212298.db2.gz VJBKJLAOLIRTJW-UHFFFAOYSA-N 1 1 371.456 3.225 20 10 FGCDMO COc1cccc(-n2cc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)nn2)c1 ZINC000370661224 499241221 /nfs/dbraw/zinc/24/12/21/499241221.db2.gz QGBGGJWXZAMAAT-OAHLLOKOSA-N 1 1 351.454 3.193 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1[O-] ZINC000368325403 499285470 /nfs/dbraw/zinc/28/54/70/499285470.db2.gz ADVZACAYDHLHRP-AEFFLSMTSA-N 1 1 353.510 3.365 20 10 FGCDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368824584 499336731 /nfs/dbraw/zinc/33/67/31/499336731.db2.gz LTUDGPUIGAHYRV-MRXNPFEDSA-N 1 1 367.497 3.002 20 10 FGCDMO CN1CCc2cc(C[NH2+]Cc3nnc(-c4ccncc4F)s3)ccc21 ZINC000373474863 499472003 /nfs/dbraw/zinc/47/20/03/499472003.db2.gz ORURRVPEBJRMFO-UHFFFAOYSA-N 1 1 355.442 3.021 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1O ZINC000373536306 499475651 /nfs/dbraw/zinc/47/56/51/499475651.db2.gz VNRIHEHATUGOKG-LJQANCHMSA-N 1 1 358.825 3.150 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000377709041 499723764 /nfs/dbraw/zinc/72/37/64/499723764.db2.gz UDMHCXAWQMLOTQ-WJPUGNRLSA-N 1 1 355.482 3.482 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)ccc21 ZINC000489312674 502925900 /nfs/dbraw/zinc/92/59/00/502925900.db2.gz GYOASNZNRCRCQD-NRFANRHFSA-N 1 1 371.525 3.317 20 10 FGCDMO CCOCC(C)(C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000502086573 503141684 /nfs/dbraw/zinc/14/16/84/503141684.db2.gz BKYBYGOWWUAGHP-UHFFFAOYSA-N 1 1 371.525 3.339 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@@H+]3CC=C(C)CC3)ccc21 ZINC000506653760 503150034 /nfs/dbraw/zinc/15/00/34/503150034.db2.gz MAZXXMXQHJTQFG-UHFFFAOYSA-N 1 1 369.509 3.286 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CC[N@H+](C(C)C)C3)ccc21 ZINC000590705227 506917970 /nfs/dbraw/zinc/91/79/70/506917970.db2.gz RFELROUZTKKYBX-SFHVURJKSA-N 1 1 371.525 3.365 20 10 FGCDMO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000076728970 700239051 /nfs/dbraw/zinc/23/90/51/700239051.db2.gz NABFAGFZGBSXKR-UHFFFAOYSA-N 1 1 362.451 3.009 20 10 FGCDMO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000076728970 700239055 /nfs/dbraw/zinc/23/90/55/700239055.db2.gz NABFAGFZGBSXKR-UHFFFAOYSA-N 1 1 362.451 3.009 20 10 FGCDMO CCS[C@H]1CCCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000078650699 700284531 /nfs/dbraw/zinc/28/45/31/700284531.db2.gz NTJMIZHEEOAPGI-IBGZPJMESA-N 1 1 363.571 3.319 20 10 FGCDMO COC(=O)c1sccc1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000088498505 700379608 /nfs/dbraw/zinc/37/96/08/700379608.db2.gz JAVOHGJPLRPKRH-UHFFFAOYSA-N 1 1 360.479 3.256 20 10 FGCDMO COC(=O)c1sccc1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000088498505 700379614 /nfs/dbraw/zinc/37/96/14/700379614.db2.gz JAVOHGJPLRPKRH-UHFFFAOYSA-N 1 1 360.479 3.256 20 10 FGCDMO COc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC000092585998 700437705 /nfs/dbraw/zinc/43/77/05/700437705.db2.gz IZGRVEPMIRAJOT-HNNXBMFYSA-N 1 1 350.459 3.280 20 10 FGCDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000092665214 700439458 /nfs/dbraw/zinc/43/94/58/700439458.db2.gz OLFPFJREXSLKLW-IYBDPMFKSA-N 1 1 351.922 3.036 20 10 FGCDMO C[N@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccccc1O ZINC000111236182 700546830 /nfs/dbraw/zinc/54/68/30/700546830.db2.gz PTXMBIJCXCJBFD-UHFFFAOYSA-N 1 1 353.447 3.247 20 10 FGCDMO C[N@@H+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccccc1O ZINC000111236182 700546832 /nfs/dbraw/zinc/54/68/32/700546832.db2.gz PTXMBIJCXCJBFD-UHFFFAOYSA-N 1 1 353.447 3.247 20 10 FGCDMO CC1=C(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCCO1 ZINC000133824859 704806176 /nfs/dbraw/zinc/80/61/76/704806176.db2.gz SWOATGCUFPDOFE-MRXNPFEDSA-N 1 1 364.873 3.211 20 10 FGCDMO Cc1nsc(N2CCC[N@@H+](Cc3c(O)ccc4ccccc43)CC2)n1 ZINC000173408392 705457917 /nfs/dbraw/zinc/45/79/17/705457917.db2.gz NIGBQQDVGWJBAH-UHFFFAOYSA-N 1 1 354.479 3.418 20 10 FGCDMO COc1cccc(C[N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000779200659 724399611 /nfs/dbraw/zinc/39/96/11/724399611.db2.gz FLWPNKLHZRHHEL-OKILXGFUSA-N 1 1 350.459 3.231 20 10 FGCDMO COc1cccc(C[N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000779200659 724399613 /nfs/dbraw/zinc/39/96/13/724399613.db2.gz FLWPNKLHZRHHEL-OKILXGFUSA-N 1 1 350.459 3.231 20 10 FGCDMO OC[C@@H](C[NH2+]Cc1cccc(F)c1O)Cc1ccccc1Br ZINC000763421225 723341991 /nfs/dbraw/zinc/34/19/91/723341991.db2.gz NSFZKLNKGUNOIH-GFCCVEGCSA-N 1 1 368.246 3.235 20 10 FGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000775644886 724015082 /nfs/dbraw/zinc/01/50/82/724015082.db2.gz WNRJOSPFJBZLEL-GFCCVEGCSA-N 1 1 368.886 3.194 20 10 FGCDMO COC(=O)c1ccc(C[NH2+]Cc2cc(C)cc(Br)c2O)o1 ZINC000781630674 724580457 /nfs/dbraw/zinc/58/04/57/724580457.db2.gz CNIQSJADBNYSGZ-UHFFFAOYSA-N 1 1 354.200 3.133 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1 ZINC000781896294 724608700 /nfs/dbraw/zinc/60/87/00/724608700.db2.gz HYIUULGJWORYJR-UHFFFAOYSA-N 1 1 369.303 3.200 20 10 FGCDMO CCOC(=O)C1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781899939 724609461 /nfs/dbraw/zinc/60/94/61/724609461.db2.gz LCXLDRGHSJBHCU-UHFFFAOYSA-N 1 1 356.260 3.238 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000781908999 724611266 /nfs/dbraw/zinc/61/12/66/724611266.db2.gz NDGMOXWRZNKHRJ-CYBMUJFWSA-N 1 1 364.287 3.261 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000781908999 724611270 /nfs/dbraw/zinc/61/12/70/724611270.db2.gz NDGMOXWRZNKHRJ-CYBMUJFWSA-N 1 1 364.287 3.261 20 10 FGCDMO Cc1cccc(C[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1O ZINC000781919591 724612769 /nfs/dbraw/zinc/61/27/69/724612769.db2.gz FVGLDVSHRHKPQX-SFHVURJKSA-N 1 1 360.479 3.107 20 10 FGCDMO C[C@@H]([NH2+]CCOCCN(C)C(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000705921022 722411915 /nfs/dbraw/zinc/41/19/15/722411915.db2.gz AXQLPVLRMMXSGN-CYBMUJFWSA-N 1 1 356.438 3.065 20 10 FGCDMO COc1cc(Br)cc(C[NH2+]C2CCN(C3CCC3)CC2)c1O ZINC000725849090 722424847 /nfs/dbraw/zinc/42/48/47/722424847.db2.gz GKNTZNASSWHQRX-UHFFFAOYSA-N 1 1 369.303 3.270 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)c1O ZINC000754729757 722944999 /nfs/dbraw/zinc/94/49/99/722944999.db2.gz FTRCCHSHZOYLOF-UHFFFAOYSA-N 1 1 350.459 3.010 20 10 FGCDMO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756383516 722963707 /nfs/dbraw/zinc/96/37/07/722963707.db2.gz JCWRCQSRDIODCE-QFYYESIMSA-N 1 1 353.365 3.072 20 10 FGCDMO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Br)c(F)cc1O ZINC000756585837 722967291 /nfs/dbraw/zinc/96/72/91/722967291.db2.gz ZWVZOXKMSGVJKI-MNOVXSKESA-N 1 1 362.239 3.140 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000756761680 722969756 /nfs/dbraw/zinc/96/97/56/722969756.db2.gz UVQMHZDKNMLMLN-DZGCQCFKSA-N 1 1 365.495 3.274 20 10 FGCDMO CC[NH+](CC)CCOCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000757673832 722978227 /nfs/dbraw/zinc/97/82/27/722978227.db2.gz LHWUWBAOGVIBHR-CYBMUJFWSA-N 1 1 359.308 3.164 20 10 FGCDMO CC(C)(C)[N@H+]1CCCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759591820 723010612 /nfs/dbraw/zinc/01/06/12/723010612.db2.gz ZKDJPSSRCNBJNK-UHFFFAOYSA-N 1 1 356.561 3.141 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)c1O ZINC000761215800 723133716 /nfs/dbraw/zinc/13/37/16/723133716.db2.gz UXXWAWMTGLCBSB-UHFFFAOYSA-N 1 1 358.866 3.353 20 10 FGCDMO O=C1[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCN1c1c(F)cccc1F ZINC000790976650 723201386 /nfs/dbraw/zinc/20/13/86/723201386.db2.gz KFVGDOIYDFRXTJ-CYBMUJFWSA-N 1 1 370.758 3.358 20 10 FGCDMO COCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[C@@H](C)C1 ZINC000792193466 723320055 /nfs/dbraw/zinc/32/00/55/723320055.db2.gz WUQMMHPAJMHFEV-SJLPKXTDSA-N 1 1 350.478 3.299 20 10 FGCDMO OC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1OC(F)(F)F ZINC000793349151 723427518 /nfs/dbraw/zinc/42/75/18/723427518.db2.gz QLDZHSVTYZDPAZ-HNNXBMFYSA-N 1 1 353.340 3.343 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000764679273 723436637 /nfs/dbraw/zinc/43/66/37/723436637.db2.gz RGPBGKNLOLRPTM-LJQANCHMSA-N 1 1 352.544 3.322 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000764679273 723436640 /nfs/dbraw/zinc/43/66/40/723436640.db2.gz RGPBGKNLOLRPTM-LJQANCHMSA-N 1 1 352.544 3.322 20 10 FGCDMO C[NH+](C)Cc1cnc(/C=C2\SC(=S)N(c3cccnc3)C2=O)s1 ZINC000794697219 723541395 /nfs/dbraw/zinc/54/13/95/723541395.db2.gz XOFKKAIUWOHLNN-SDQBBNPISA-N 1 1 362.505 3.006 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1 ZINC000765812963 723542465 /nfs/dbraw/zinc/54/24/65/723542465.db2.gz CDAUTSDPQRSISU-CWTRNNRKSA-N 1 1 363.841 3.391 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1 ZINC000765812958 723542530 /nfs/dbraw/zinc/54/25/30/723542530.db2.gz CDAUTSDPQRSISU-BLVKFPJESA-N 1 1 363.841 3.391 20 10 FGCDMO C[N@@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768443191 723657747 /nfs/dbraw/zinc/65/77/47/723657747.db2.gz RCQFVNFXIOZTAO-MRXNPFEDSA-N 1 1 364.239 3.213 20 10 FGCDMO c1nc(CN2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)cs1 ZINC000769024603 723674813 /nfs/dbraw/zinc/67/48/13/723674813.db2.gz YPHZTXYANVUPDI-UHFFFAOYSA-N 1 1 356.539 3.451 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769120895 723677414 /nfs/dbraw/zinc/67/74/14/723677414.db2.gz LPERHBJZCDXBII-CQSZACIVSA-N 1 1 350.459 3.138 20 10 FGCDMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c(O)c1 ZINC000769317972 723682257 /nfs/dbraw/zinc/68/22/57/723682257.db2.gz DDOJBVYSAAJXDH-UHFFFAOYSA-N 1 1 350.365 3.140 20 10 FGCDMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c(O)c1 ZINC000769317972 723682258 /nfs/dbraw/zinc/68/22/58/723682258.db2.gz DDOJBVYSAAJXDH-UHFFFAOYSA-N 1 1 350.365 3.140 20 10 FGCDMO Cc1cnccc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771417228 723734878 /nfs/dbraw/zinc/73/48/78/723734878.db2.gz MWZDOOOAUQJDDS-INIZCTEOSA-N 1 1 359.857 3.143 20 10 FGCDMO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)s1 ZINC000797138962 723785614 /nfs/dbraw/zinc/78/56/14/723785614.db2.gz BUPIYOYSUZTMPK-VWYCJHECSA-N 1 1 366.462 3.259 20 10 FGCDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774914829 723941760 /nfs/dbraw/zinc/94/17/60/723941760.db2.gz WZAHBIJRUSHVCV-GJZGRUSLSA-N 1 1 352.431 3.335 20 10 FGCDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774914829 723941765 /nfs/dbraw/zinc/94/17/65/723941765.db2.gz WZAHBIJRUSHVCV-GJZGRUSLSA-N 1 1 352.431 3.335 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1O ZINC000775735302 724034586 /nfs/dbraw/zinc/03/45/86/724034586.db2.gz LEZRDYFDDHMFMH-CYBMUJFWSA-N 1 1 364.287 3.261 20 10 FGCDMO COC(=O)[C@@H]1[C@@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C1(F)F ZINC000787769360 725038013 /nfs/dbraw/zinc/03/80/13/725038013.db2.gz DUTUVNNFWPBBGH-SJORKVTESA-N 1 1 352.425 3.163 20 10 FGCDMO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1O ZINC000788631336 725077197 /nfs/dbraw/zinc/07/71/97/725077197.db2.gz LUVXTXIZUNWAIO-GFCCVEGCSA-N 1 1 352.356 3.492 20 10 FGCDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cc(Br)ccc1O ZINC000807740368 725167832 /nfs/dbraw/zinc/16/78/32/725167832.db2.gz UQEIOLCWNHNNBE-CQSZACIVSA-N 1 1 355.276 3.035 20 10 FGCDMO C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(Br)ccc3[O-])C2)CC1 ZINC000809755198 725265511 /nfs/dbraw/zinc/26/55/11/725265511.db2.gz HYLMSZRPTUZWEJ-AWEZNQCLSA-N 1 1 353.304 3.318 20 10 FGCDMO C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(Br)ccc3[O-])C2)CC1 ZINC000809755198 725265513 /nfs/dbraw/zinc/26/55/13/725265513.db2.gz HYLMSZRPTUZWEJ-AWEZNQCLSA-N 1 1 353.304 3.318 20 10 FGCDMO COCc1nc(C[NH2+]Cc2cc(Br)cc(OC)c2O)cs1 ZINC000810170842 725294646 /nfs/dbraw/zinc/29/46/46/725294646.db2.gz QPGSWTJMOQRDFG-UHFFFAOYSA-N 1 1 373.272 3.056 20 10 FGCDMO Oc1ccc(Cl)c(F)c1CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000812778938 726810041 /nfs/dbraw/zinc/81/00/41/726810041.db2.gz ROJCEXDTXMQBNX-CQSZACIVSA-N 1 1 350.821 3.363 20 10 FGCDMO COc1cc(C[NH+]2CCN(CC(F)(F)F)CC2)c(O)c(C(C)(C)C)c1 ZINC000813051054 726833416 /nfs/dbraw/zinc/83/34/16/726833416.db2.gz HRXWYSYDLDWSMJ-UHFFFAOYSA-N 1 1 360.420 3.378 20 10 FGCDMO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1O ZINC000815625649 727087344 /nfs/dbraw/zinc/08/73/44/727087344.db2.gz JLVSAQRDMUHOAK-NXEZZACHSA-N 1 1 351.390 3.027 20 10 FGCDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816522039 727171336 /nfs/dbraw/zinc/17/13/36/727171336.db2.gz HUQASZSEDWQBQG-XJKSGUPXSA-N 1 1 353.825 3.006 20 10 FGCDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816522039 727171343 /nfs/dbraw/zinc/17/13/43/727171343.db2.gz HUQASZSEDWQBQG-XJKSGUPXSA-N 1 1 353.825 3.006 20 10 FGCDMO C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCCN1 ZINC000817903185 727287485 /nfs/dbraw/zinc/28/74/85/727287485.db2.gz JNPBRIPIHIIGSS-KDOFPFPSSA-N 1 1 353.457 3.377 20 10 FGCDMO C[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000817903185 727287487 /nfs/dbraw/zinc/28/74/87/727287487.db2.gz JNPBRIPIHIIGSS-KDOFPFPSSA-N 1 1 353.457 3.377 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000818431431 727311194 /nfs/dbraw/zinc/31/11/94/727311194.db2.gz LYNCUZXRTKOFDN-CYBMUJFWSA-N 1 1 353.304 3.427 20 10 FGCDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000824326961 729330546 /nfs/dbraw/zinc/33/05/46/729330546.db2.gz PSVIZVFMQKEQBI-HXUWFJFHSA-N 1 1 357.523 3.343 20 10 FGCDMO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000824576661 729348714 /nfs/dbraw/zinc/34/87/14/729348714.db2.gz QTJSKCCHFYARTR-AWEZNQCLSA-N 1 1 359.392 3.044 20 10 FGCDMO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000824576661 729348717 /nfs/dbraw/zinc/34/87/17/729348717.db2.gz QTJSKCCHFYARTR-AWEZNQCLSA-N 1 1 359.392 3.044 20 10 FGCDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824650478 729353043 /nfs/dbraw/zinc/35/30/43/729353043.db2.gz QLFFAMZAILEVOG-CYBMUJFWSA-N 1 1 369.303 3.283 20 10 FGCDMO COc1cc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000824808943 729359706 /nfs/dbraw/zinc/35/97/06/729359706.db2.gz ODGOBBGKZMOQSU-ZDUSSCGKSA-N 1 1 369.527 3.096 20 10 FGCDMO COc1cc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000824808943 729359707 /nfs/dbraw/zinc/35/97/07/729359707.db2.gz ODGOBBGKZMOQSU-ZDUSSCGKSA-N 1 1 369.527 3.096 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000825124795 729371852 /nfs/dbraw/zinc/37/18/52/729371852.db2.gz YIHBNDXSISZVTK-TVQRCGJNSA-N 1 1 368.193 3.208 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000825124795 729371854 /nfs/dbraw/zinc/37/18/54/729371854.db2.gz YIHBNDXSISZVTK-TVQRCGJNSA-N 1 1 368.193 3.208 20 10 FGCDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCn3ncc(Br)c3C2)cc1 ZINC000827452240 729430395 /nfs/dbraw/zinc/43/03/95/729430395.db2.gz WXKDIBMTWULWTM-ONEGZZNKSA-N 1 1 361.287 3.241 20 10 FGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCn3ncc(Br)c3C2)cc1 ZINC000827452240 729430396 /nfs/dbraw/zinc/43/03/96/729430396.db2.gz WXKDIBMTWULWTM-ONEGZZNKSA-N 1 1 361.287 3.241 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827662402 729433093 /nfs/dbraw/zinc/43/30/93/729433093.db2.gz QNXMAFOPBJOXTQ-UHFFFAOYSA-N 1 1 364.848 3.436 20 10 FGCDMO CC[N@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@@H](C)CS(C)(=O)=O ZINC000827813074 729435395 /nfs/dbraw/zinc/43/53/95/729435395.db2.gz JQQPEVWQAMCOEL-KRWDZBQOSA-N 1 1 352.544 3.240 20 10 FGCDMO CC[N@@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@@H](C)CS(C)(=O)=O ZINC000827813074 729435396 /nfs/dbraw/zinc/43/53/96/729435396.db2.gz JQQPEVWQAMCOEL-KRWDZBQOSA-N 1 1 352.544 3.240 20 10 FGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCCN(Cc3cscn3)CC2)cc1 ZINC000835026779 729850688 /nfs/dbraw/zinc/85/06/88/729850688.db2.gz HNOQMERSXBYBNS-HYXAFXHYSA-N 1 1 356.539 3.430 20 10 FGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(Br)cc2F)cc1 ZINC000841041847 730205344 /nfs/dbraw/zinc/20/53/44/730205344.db2.gz FSVLPLCQLNZACG-KRWDZBQOSA-N 1 1 366.278 3.444 20 10 FGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)C(=O)NCc1cccs1 ZINC000842911075 730556016 /nfs/dbraw/zinc/55/60/16/730556016.db2.gz WTNDPMBQSKZHMU-BONVTDFDSA-N 1 1 354.422 3.478 20 10 FGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cncc(Br)c2)cc1 ZINC000844401757 730713054 /nfs/dbraw/zinc/71/30/54/730713054.db2.gz PWLXDKNYNKPLSM-UHFFFAOYSA-N 1 1 364.287 3.421 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCn2cnc(Br)n2)cc1 ZINC000851717029 731486614 /nfs/dbraw/zinc/48/66/14/731486614.db2.gz URNDRPIBVWAGDK-UHFFFAOYSA-N 1 1 366.307 3.019 20 10 FGCDMO [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853093272 731664180 /nfs/dbraw/zinc/66/41/80/731664180.db2.gz HGRWBPVXBWRQLX-AWEZNQCLSA-N 1 1 353.304 3.366 20 10 FGCDMO [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093272 731664183 /nfs/dbraw/zinc/66/41/83/731664183.db2.gz HGRWBPVXBWRQLX-AWEZNQCLSA-N 1 1 353.304 3.366 20 10 FGCDMO COc1ccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)cc1[N+](=O)[O-] ZINC000858118312 732181995 /nfs/dbraw/zinc/18/19/95/732181995.db2.gz WLKUALBPIPOHEC-UHFFFAOYSA-N 1 1 351.353 3.237 20 10 FGCDMO Cc1csc([C@H](C)[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000858426748 732214035 /nfs/dbraw/zinc/21/40/35/732214035.db2.gz SOIKKTGEYZYDHB-LBPRGKRZSA-N 1 1 353.438 3.417 20 10 FGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]C(c2ccnn2C)c2ccnn2C)c1O ZINC000858586648 732228987 /nfs/dbraw/zinc/22/89/87/732228987.db2.gz VXGLBDWPWPYQMV-GFCCVEGCSA-N 1 1 359.861 3.261 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(Br)c(F)cc1O ZINC000858602805 732230882 /nfs/dbraw/zinc/23/08/82/732230882.db2.gz JLRMQYQCWIPNNO-YMTOWFKASA-N 1 1 371.250 3.098 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1F ZINC000862292232 732805994 /nfs/dbraw/zinc/80/59/94/732805994.db2.gz DEYKMMQNASJICJ-LJQANCHMSA-N 1 1 350.384 3.263 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)ccc1[N+](=O)[O-] ZINC000862441298 732836682 /nfs/dbraw/zinc/83/66/82/732836682.db2.gz SVBLOZBQFLUMEV-VNQPRFMTSA-N 1 1 360.797 3.390 20 10 FGCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1c1ccc(O)cc1 ZINC000862497622 732841860 /nfs/dbraw/zinc/84/18/60/732841860.db2.gz YBKGJJHRTWIGAA-DLBZAZTESA-N 1 1 361.825 3.140 20 10 FGCDMO [NH3+]C[C@@H]1CN(Cc2cccc(Br)c2O)CC[C@@H]1C(F)(F)F ZINC000863647005 732990234 /nfs/dbraw/zinc/99/02/34/732990234.db2.gz ULZSZOLPIFWOMO-MNOVXSKESA-N 1 1 367.209 3.114 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2nn(C)cc2C(F)F)c1 ZINC000865808228 733273058 /nfs/dbraw/zinc/27/30/58/733273058.db2.gz DPUKIZUJKWEDOK-UHFFFAOYSA-N 1 1 360.202 3.424 20 10 FGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000866430950 733348247 /nfs/dbraw/zinc/34/82/47/733348247.db2.gz BKJNOGJTXNMFRM-GFCCVEGCSA-N 1 1 351.292 3.490 20 10 FGCDMO C[C@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1cc(F)cc(F)c1O ZINC000866474859 733354525 /nfs/dbraw/zinc/35/45/25/733354525.db2.gz ULLQBPQMGWVRKW-LBPRGKRZSA-N 1 1 365.449 3.469 20 10 FGCDMO C[C@@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)c1ccccc1O ZINC000870988201 733905930 /nfs/dbraw/zinc/90/59/30/733905930.db2.gz INLRNDSUWLQAFZ-MRVPVSSYSA-N 1 1 367.268 3.310 20 10 FGCDMO CCC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)Cc1ccccc1O ZINC000876654884 736127757 /nfs/dbraw/zinc/12/77/57/736127757.db2.gz SQRZSJCYLFIXCI-UHFFFAOYSA-N 1 1 368.886 3.105 20 10 FGCDMO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000883035184 737514371 /nfs/dbraw/zinc/51/43/71/737514371.db2.gz SXBVECBXPROSEP-HUUCEWRRSA-N 1 1 352.203 3.042 20 10 FGCDMO C[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000886510127 739263422 /nfs/dbraw/zinc/26/34/22/739263422.db2.gz VGICEXUUBWPASW-STQMWFEESA-N 1 1 366.458 3.193 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000886520397 739264605 /nfs/dbraw/zinc/26/46/05/739264605.db2.gz DAAUAUNHQMAHGX-OLZOCXBDSA-N 1 1 366.458 3.193 20 10 FGCDMO COc1cc(C)cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1O ZINC000894089749 742237748 /nfs/dbraw/zinc/23/77/48/742237748.db2.gz WWIVAZZQXFUGLX-HOTGVXAUSA-N 1 1 363.479 3.095 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1O ZINC000894089749 742237752 /nfs/dbraw/zinc/23/77/52/742237752.db2.gz WWIVAZZQXFUGLX-HOTGVXAUSA-N 1 1 363.479 3.095 20 10 FGCDMO COc1ccc(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c(O)c1OC ZINC000894696037 742319597 /nfs/dbraw/zinc/31/95/97/742319597.db2.gz VNHJWSLFYDTVQD-HNNXBMFYSA-N 1 1 351.830 3.228 20 10 FGCDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896789886 742598572 /nfs/dbraw/zinc/59/85/72/742598572.db2.gz JGACPKHRYLVMFJ-ZDUSSCGKSA-N 1 1 360.479 3.116 20 10 FGCDMO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000903193955 743820689 /nfs/dbraw/zinc/82/06/89/743820689.db2.gz XESPXCOMEWUNMM-ZDUSSCGKSA-N 1 1 361.486 3.458 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000121224116 494654284 /nfs/dbraw/zinc/65/42/84/494654284.db2.gz JZQOYVZBDLAEMH-UHFFFAOYSA-N 1 1 354.450 3.139 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c1O ZINC000093200668 494841852 /nfs/dbraw/zinc/84/18/52/494841852.db2.gz NCUCXAKXQOENKA-CQSZACIVSA-N 1 1 360.433 3.286 20 10 FGCDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NCc3c(O)cccc3Cl)cc2)C1 ZINC000127484392 494951715 /nfs/dbraw/zinc/95/17/15/494951715.db2.gz TVBHKSRFLOQGFZ-HNNXBMFYSA-N 1 1 373.884 3.355 20 10 FGCDMO Cc1nn(C)c2ncc(C[N@H+](Cc3ccccc3O)C[C@H]3CCCO3)cc12 ZINC000111233040 495051729 /nfs/dbraw/zinc/05/17/29/495051729.db2.gz CORWTHBVXVNRNJ-GOSISDBHSA-N 1 1 366.465 3.164 20 10 FGCDMO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000111235861 495052185 /nfs/dbraw/zinc/05/21/85/495052185.db2.gz WEIGATTYFRGCCG-LSDHHAIUSA-N 1 1 372.465 3.107 20 10 FGCDMO [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000113337661 495298241 /nfs/dbraw/zinc/29/82/41/495298241.db2.gz KGPVBNKJDLCDPC-UHFFFAOYSA-N 1 1 360.885 3.292 20 10 FGCDMO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000167896315 496707358 /nfs/dbraw/zinc/70/73/58/496707358.db2.gz DGMRKZUXJRGABA-QFBILLFUSA-N 1 1 369.513 3.424 20 10 FGCDMO COc1c([O-])c(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475943 497127635 /nfs/dbraw/zinc/12/76/35/497127635.db2.gz ILYUSQKICNGRMP-HIFRSBDPSA-N 1 1 363.458 3.052 20 10 FGCDMO CC(C)[NH+]1CCN(C2CC[NH+](Cc3c([O-])cccc3Cl)CC2)CC1 ZINC000271217901 497294399 /nfs/dbraw/zinc/29/43/99/497294399.db2.gz NTLAMDKUFBOOES-UHFFFAOYSA-N 1 1 351.922 3.036 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1O ZINC000245608331 497472146 /nfs/dbraw/zinc/47/21/46/497472146.db2.gz AFDZYSLKCNCYAX-ZIAGYGMSSA-N 1 1 358.301 3.169 20 10 FGCDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000245754335 497529037 /nfs/dbraw/zinc/52/90/37/497529037.db2.gz UONNHKVMILJLHL-IDNNPUCFSA-N 1 1 358.482 3.224 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(CNC(C)=O)o2)c1 ZINC000364259643 497866271 /nfs/dbraw/zinc/86/62/71/497866271.db2.gz HFJVFKLPHWIQDZ-GOSISDBHSA-N 1 1 358.438 3.357 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@@]4(CCOC4)OC(C)(C)C3)cc2)CC1 ZINC000296087390 497915228 /nfs/dbraw/zinc/91/52/28/497915228.db2.gz SZQKZQKFVFIGBL-JOCHJYFZSA-N 1 1 374.525 3.072 20 10 FGCDMO COc1cc2[nH+]c(NCc3ccc(N(C)C)c(F)c3)nc(N)c2cc1OC ZINC000301241215 498016682 /nfs/dbraw/zinc/01/66/82/498016682.db2.gz MNYIMPOJNYIPQB-UHFFFAOYSA-N 1 1 371.416 3.046 20 10 FGCDMO CC[C@@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(F)cc1O ZINC000285510067 498111283 /nfs/dbraw/zinc/11/12/83/498111283.db2.gz APFQYLMFPZRYRM-OAHLLOKOSA-N 1 1 352.356 3.280 20 10 FGCDMO O=C1C[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)CN1Cc1ccccc1 ZINC000293494342 498401215 /nfs/dbraw/zinc/40/12/15/498401215.db2.gz AZBLWZGZTIZPJB-AWEZNQCLSA-N 1 1 362.832 3.323 20 10 FGCDMO C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000282205166 498423040 /nfs/dbraw/zinc/42/30/40/498423040.db2.gz HARQGNGWFOBOLA-GFCCVEGCSA-N 1 1 360.329 3.376 20 10 FGCDMO COc1c(O)c(C[NH2+]CCc2cc(C(F)(F)F)ccn2)ccc1[N+](=O)[O-] ZINC000293778192 498485555 /nfs/dbraw/zinc/48/55/55/498485555.db2.gz ZBLSBZYXBXNAJL-UHFFFAOYSA-N 1 1 371.315 3.055 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000294216922 498623347 /nfs/dbraw/zinc/62/33/47/498623347.db2.gz LOFIGASXNOBTJK-UHFFFAOYSA-N 1 1 350.821 3.311 20 10 FGCDMO CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000299114966 498968252 /nfs/dbraw/zinc/96/82/52/498968252.db2.gz SCLFDFPDIXBCSG-GOSISDBHSA-N 1 1 358.530 3.159 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(F)cc1O ZINC000363851159 499023868 /nfs/dbraw/zinc/02/38/68/499023868.db2.gz HWHJCFMBFNLAHN-WFASDCNBSA-N 1 1 360.433 3.107 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(F)cc1O ZINC000363851151 499024379 /nfs/dbraw/zinc/02/43/79/499024379.db2.gz HWHJCFMBFNLAHN-DOMZBBRYSA-N 1 1 360.433 3.107 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000284239008 499073635 /nfs/dbraw/zinc/07/36/35/499073635.db2.gz DYDCQIZJZMCCNE-IFXJQAMLSA-N 1 1 372.465 3.141 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCCN(Cc3nc(C)c(C)o3)CC2)c1 ZINC000372711593 499164972 /nfs/dbraw/zinc/16/49/72/499164972.db2.gz GZXMRVLRVXBWKR-OAHLLOKOSA-N 1 1 359.470 3.275 20 10 FGCDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000372811814 499178624 /nfs/dbraw/zinc/17/86/24/499178624.db2.gz LAGDSMVGZOKLRE-BLLLJJGKSA-N 1 1 353.825 3.006 20 10 FGCDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000372811814 499178625 /nfs/dbraw/zinc/17/86/25/499178625.db2.gz LAGDSMVGZOKLRE-BLLLJJGKSA-N 1 1 353.825 3.006 20 10 FGCDMO C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000370373987 499214314 /nfs/dbraw/zinc/21/43/14/499214314.db2.gz MAZPFJBJWBIUDA-DOTOQJQBSA-N 1 1 356.441 3.273 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1[O-] ZINC000368325406 499285388 /nfs/dbraw/zinc/28/53/88/499285388.db2.gz ADVZACAYDHLHRP-WMZOPIPTSA-N 1 1 353.510 3.365 20 10 FGCDMO CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000371335996 499312602 /nfs/dbraw/zinc/31/26/02/499312602.db2.gz MYNKVAMMJCZOPK-MRXNPFEDSA-N 1 1 372.340 3.299 20 10 FGCDMO CCc1nc(CN2CCC[N@@H+](Cc3cc(OC)ccc3O)CC2)cs1 ZINC000373231397 499458901 /nfs/dbraw/zinc/45/89/01/499458901.db2.gz XGHMOIMXYJXCNM-UHFFFAOYSA-N 1 1 361.511 3.128 20 10 FGCDMO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000375933576 499569818 /nfs/dbraw/zinc/56/98/18/499569818.db2.gz RTABABPCNASGCR-IVCQMTBJSA-N 1 1 359.491 3.314 20 10 FGCDMO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000375933576 499569820 /nfs/dbraw/zinc/56/98/20/499569820.db2.gz RTABABPCNASGCR-IVCQMTBJSA-N 1 1 359.491 3.314 20 10 FGCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000377668956 499717456 /nfs/dbraw/zinc/71/74/56/499717456.db2.gz GIWNCNRWACICMP-IRXDYDNUSA-N 1 1 365.433 3.028 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@]2(C)CCCOC2)C1 ZINC000444338327 500836418 /nfs/dbraw/zinc/83/64/18/500836418.db2.gz FMSYDKSVDYWBIE-JOCHJYFZSA-N 1 1 369.509 3.093 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3ccncc32)C1 ZINC000444352664 500838361 /nfs/dbraw/zinc/83/83/61/500838361.db2.gz PCTUAQORVXQXSH-UHFFFAOYSA-N 1 1 374.488 3.392 20 10 FGCDMO CC(C)OCCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435869623 501039469 /nfs/dbraw/zinc/03/94/69/501039469.db2.gz XRMZUGAHVDBHDJ-UHFFFAOYSA-N 1 1 371.525 3.339 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)NCC[C@H]3CCC[N@@H+](C)C3)ccc21 ZINC000458174418 501385015 /nfs/dbraw/zinc/38/50/15/501385015.db2.gz SJMZVYOIZHBRPS-GOSISDBHSA-N 1 1 371.525 3.366 20 10 FGCDMO CC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(C)(C)O ZINC000512803460 503634864 /nfs/dbraw/zinc/63/48/64/503634864.db2.gz WQIHWXAZYUJCNJ-HXUWFJFHSA-N 1 1 371.525 3.074 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@]3(CCc4ccccc4O3)C1)[C@@H](O)CO2 ZINC000530102854 503838823 /nfs/dbraw/zinc/83/88/23/503838823.db2.gz BIOLUVBMFNQIMK-UGKGYDQZSA-N 1 1 367.445 3.178 20 10 FGCDMO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528857439 504418627 /nfs/dbraw/zinc/41/86/27/504418627.db2.gz MWVQVFHMFZBBEX-KRWDZBQOSA-N 1 1 374.868 3.075 20 10 FGCDMO O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528857439 504418629 /nfs/dbraw/zinc/41/86/29/504418629.db2.gz MWVQVFHMFZBBEX-KRWDZBQOSA-N 1 1 374.868 3.075 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(C3CC3)CC2)C1 ZINC000583359985 506736629 /nfs/dbraw/zinc/73/66/29/506736629.db2.gz TUVOMZCYTALMKE-UHFFFAOYSA-N 1 1 351.494 3.467 20 10 FGCDMO O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000740095552 600559731 /nfs/dbraw/zinc/55/97/31/600559731.db2.gz BJFZLMIECWXJHU-HNNXBMFYSA-N 1 1 354.450 3.161 20 10 FGCDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000076067491 700222899 /nfs/dbraw/zinc/22/28/99/700222899.db2.gz MPQPSPHRNNPWPD-RTBURBONSA-N 1 1 363.571 3.317 20 10 FGCDMO CCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCCCO1 ZINC000093132413 700447067 /nfs/dbraw/zinc/44/70/67/700447067.db2.gz ROMRLCLADREWJV-SFHVURJKSA-N 1 1 350.478 3.443 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1[O-] ZINC000093563795 700452473 /nfs/dbraw/zinc/45/24/73/700452473.db2.gz KRMCZHUISWYWQH-HNNXBMFYSA-N 1 1 353.850 3.404 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1[O-] ZINC000093563795 700452475 /nfs/dbraw/zinc/45/24/75/700452475.db2.gz KRMCZHUISWYWQH-HNNXBMFYSA-N 1 1 353.850 3.404 20 10 FGCDMO CS[C@@H](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000128186465 700771895 /nfs/dbraw/zinc/77/18/95/700771895.db2.gz GMQSMICBAPHTEX-WFASDCNBSA-N 1 1 356.919 3.268 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000781911597 724611442 /nfs/dbraw/zinc/61/14/42/724611442.db2.gz MGEYCZYFOZIVKG-WCQYABFASA-N 1 1 368.193 3.351 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000781911597 724611443 /nfs/dbraw/zinc/61/14/43/724611443.db2.gz MGEYCZYFOZIVKG-WCQYABFASA-N 1 1 368.193 3.351 20 10 FGCDMO COCc1cc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)ncn1 ZINC000782143925 724631606 /nfs/dbraw/zinc/63/16/06/724631606.db2.gz YQLPGABJXSMMKH-OAHLLOKOSA-N 1 1 362.861 3.059 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000783596627 724769966 /nfs/dbraw/zinc/76/99/66/724769966.db2.gz ZIDXZYPUHYDOIW-GFCCVEGCSA-N 1 1 355.360 3.453 20 10 FGCDMO CCC[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1O ZINC000727830910 722447876 /nfs/dbraw/zinc/44/78/76/722447876.db2.gz VDPCPAHUTVAJAY-OAHLLOKOSA-N 1 1 358.404 3.405 20 10 FGCDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731364861 722474727 /nfs/dbraw/zinc/47/47/27/722474727.db2.gz PYKMHGPBPKGUEL-HNNXBMFYSA-N 1 1 352.498 3.201 20 10 FGCDMO COC(=O)C[N@H+](CCc1ccc(OC)cc1)Cc1cc(Cl)ccc1O ZINC000731845267 722478517 /nfs/dbraw/zinc/47/85/17/722478517.db2.gz SZQCEAJKNRJESX-UHFFFAOYSA-N 1 1 363.841 3.272 20 10 FGCDMO COC(=O)C[N@@H+](CCc1ccc(OC)cc1)Cc1cc(Cl)ccc1O ZINC000731845267 722478518 /nfs/dbraw/zinc/47/85/18/722478518.db2.gz SZQCEAJKNRJESX-UHFFFAOYSA-N 1 1 363.841 3.272 20 10 FGCDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751931090 722836040 /nfs/dbraw/zinc/83/60/40/722836040.db2.gz MCIVCJYJJSHCIB-INIZCTEOSA-N 1 1 359.495 3.347 20 10 FGCDMO COC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCCC1 ZINC000754273308 722933230 /nfs/dbraw/zinc/93/32/30/722933230.db2.gz AENMSRNHWFFZQT-INIZCTEOSA-N 1 1 366.889 3.085 20 10 FGCDMO C[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)C(=O)NC(C)(C)C ZINC000756490582 722965476 /nfs/dbraw/zinc/96/54/76/722965476.db2.gz WJFSTRXETRIBER-RKDXNWHRSA-N 1 1 361.255 3.248 20 10 FGCDMO C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)c(F)cc1O ZINC000756736156 722969278 /nfs/dbraw/zinc/96/92/78/722969278.db2.gz LCTPFBMZJRVACS-UWVGGRQHSA-N 1 1 373.266 3.344 20 10 FGCDMO COc1ccc(C[N@H+](C)Cc2cc(C)cc(Br)c2O)cn1 ZINC000757918211 722981221 /nfs/dbraw/zinc/98/12/21/722981221.db2.gz XXULOVALIVQUPI-UHFFFAOYSA-N 1 1 351.244 3.499 20 10 FGCDMO COc1ccc(C[N@@H+](C)Cc2cc(C)cc(Br)c2O)cn1 ZINC000757918211 722981222 /nfs/dbraw/zinc/98/12/22/722981222.db2.gz XXULOVALIVQUPI-UHFFFAOYSA-N 1 1 351.244 3.499 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)cc1F ZINC000790930114 723194705 /nfs/dbraw/zinc/19/47/05/723194705.db2.gz JYLUDRGWGZSQJI-INIZCTEOSA-N 1 1 350.478 3.442 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)cc1F ZINC000790930114 723194709 /nfs/dbraw/zinc/19/47/09/723194709.db2.gz JYLUDRGWGZSQJI-INIZCTEOSA-N 1 1 350.478 3.442 20 10 FGCDMO COc1cc([C@@H](C)[NH2+]Cc2c(O)ccc(Cl)c2F)ccc1OCCO ZINC000790956984 723199315 /nfs/dbraw/zinc/19/93/15/723199315.db2.gz ZUBAKJSAMATOHI-LLVKDONJSA-N 1 1 369.820 3.415 20 10 FGCDMO OC[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)Cc1ccc(F)c(F)c1 ZINC000791005315 723204404 /nfs/dbraw/zinc/20/44/04/723204404.db2.gz SMYFZAZQDKUJDD-LLVKDONJSA-N 1 1 359.775 3.404 20 10 FGCDMO COC(=O)[C@@H](C)[N@H+](Cc1cc(Br)cc(C)c1O)C1CCC1 ZINC000792185208 723319459 /nfs/dbraw/zinc/31/94/59/723319459.db2.gz JARKOZGUBXEIAN-LLVKDONJSA-N 1 1 356.260 3.379 20 10 FGCDMO COC(=O)[C@@H](C)[N@@H+](Cc1cc(Br)cc(C)c1O)C1CCC1 ZINC000792185208 723319462 /nfs/dbraw/zinc/31/94/62/723319462.db2.gz JARKOZGUBXEIAN-LLVKDONJSA-N 1 1 356.260 3.379 20 10 FGCDMO COC(=O)C[N@H+](CCCc1ccc(C)nc1)Cc1cc(Cl)ccc1O ZINC000792818932 723371121 /nfs/dbraw/zinc/37/11/21/723371121.db2.gz INEZNCNDOCCJED-UHFFFAOYSA-N 1 1 362.857 3.357 20 10 FGCDMO COC(=O)C[N@@H+](CCCc1ccc(C)nc1)Cc1cc(Cl)ccc1O ZINC000792818932 723371128 /nfs/dbraw/zinc/37/11/28/723371128.db2.gz INEZNCNDOCCJED-UHFFFAOYSA-N 1 1 362.857 3.357 20 10 FGCDMO COC(=O)C[N@H+](CCCC1CCOCC1)Cc1cc(Cl)ccc1O ZINC000765921992 723546839 /nfs/dbraw/zinc/54/68/39/723546839.db2.gz VPFYEUGTTBTCOS-UHFFFAOYSA-N 1 1 355.862 3.227 20 10 FGCDMO COC(=O)C[N@@H+](CCCC1CCOCC1)Cc1cc(Cl)ccc1O ZINC000765921992 723546840 /nfs/dbraw/zinc/54/68/40/723546840.db2.gz VPFYEUGTTBTCOS-UHFFFAOYSA-N 1 1 355.862 3.227 20 10 FGCDMO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000768208430 723650384 /nfs/dbraw/zinc/65/03/84/723650384.db2.gz OYZVERYUAUNUCH-UHFFFAOYSA-N 1 1 356.495 3.173 20 10 FGCDMO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000768235930 723651312 /nfs/dbraw/zinc/65/13/12/723651312.db2.gz FABJKMWMZARSAS-UHFFFAOYSA-N 1 1 357.885 3.364 20 10 FGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000768247245 723651764 /nfs/dbraw/zinc/65/17/64/723651764.db2.gz AJRNJPXHMHWTAU-OAHLLOKOSA-N 1 1 350.459 3.232 20 10 FGCDMO COc1cccc(O)c1C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000768263321 723652107 /nfs/dbraw/zinc/65/21/07/723652107.db2.gz AFVORLYIZWXKMT-UHFFFAOYSA-N 1 1 368.264 3.425 20 10 FGCDMO COc1cc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000768443608 723657635 /nfs/dbraw/zinc/65/76/35/723657635.db2.gz HMRKGJUPPNCQGO-CQSZACIVSA-N 1 1 350.459 3.056 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+]2CCSC[C@H]2CC(=O)OC)cc1F ZINC000769470260 723686619 /nfs/dbraw/zinc/68/66/19/723686619.db2.gz JUTUMJZJSKWJHU-OAHLLOKOSA-N 1 1 354.491 3.152 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCSC[C@H]2CC(=O)OC)cc1F ZINC000769470260 723686620 /nfs/dbraw/zinc/68/66/20/723686620.db2.gz JUTUMJZJSKWJHU-OAHLLOKOSA-N 1 1 354.491 3.152 20 10 FGCDMO C[C@H]1[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CC(=O)N1Cc1ccccc1 ZINC000798506057 723938722 /nfs/dbraw/zinc/93/87/22/723938722.db2.gz YZJUXXWKOBKGAZ-BLLLJJGKSA-N 1 1 362.832 3.464 20 10 FGCDMO COc1c([O-])c(C[NH2+]CCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000774943515 723944697 /nfs/dbraw/zinc/94/46/97/723944697.db2.gz UXYSZIQFVSHKNH-UHFFFAOYSA-N 1 1 351.447 3.053 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H](C)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000775030333 723954201 /nfs/dbraw/zinc/95/42/01/723954201.db2.gz SNSRUXUDJFXOBI-SNVBAGLBSA-N 1 1 352.337 3.481 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000775029449 723954212 /nfs/dbraw/zinc/95/42/12/723954212.db2.gz MLHDLXADAPYLPF-OAHLLOKOSA-N 1 1 366.801 3.440 20 10 FGCDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000775185758 723969608 /nfs/dbraw/zinc/96/96/08/723969608.db2.gz VSVZRDLUKPLZPT-LJQANCHMSA-N 1 1 351.443 3.107 20 10 FGCDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000775202938 723970842 /nfs/dbraw/zinc/97/08/42/723970842.db2.gz ZRHUSWNTQJUBJP-SFHVURJKSA-N 1 1 355.862 3.465 20 10 FGCDMO C[NH+]1CCC2(CCC[N@H+](Cc3cc(Br)ccc3[O-])C2)CC1 ZINC000798956570 723979693 /nfs/dbraw/zinc/97/96/93/723979693.db2.gz DJVXBTLPNWTUGU-UHFFFAOYSA-N 1 1 353.304 3.463 20 10 FGCDMO C[NH+]1CCC2(CCC[N@@H+](Cc3cc(Br)ccc3[O-])C2)CC1 ZINC000798956570 723979695 /nfs/dbraw/zinc/97/96/95/723979695.db2.gz DJVXBTLPNWTUGU-UHFFFAOYSA-N 1 1 353.304 3.463 20 10 FGCDMO Cn1ncc(Br)c1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000785442069 724913028 /nfs/dbraw/zinc/91/30/28/724913028.db2.gz NOUVOXAZXWBIAN-UHFFFAOYSA-N 1 1 363.303 3.463 20 10 FGCDMO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(C)cc(Br)c2O)cc1 ZINC000786163206 724964445 /nfs/dbraw/zinc/96/44/45/724964445.db2.gz HKEIJZRRTOLKBJ-MRXNPFEDSA-N 1 1 364.283 3.465 20 10 FGCDMO COCC[N@@H+](Cc1scnc1C)Cc1cc(Cl)cc(OC)c1O ZINC000787311083 725024666 /nfs/dbraw/zinc/02/46/66/725024666.db2.gz RDMMZDHERHKXCW-UHFFFAOYSA-N 1 1 356.875 3.468 20 10 FGCDMO CC1(C)CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000787449147 725028685 /nfs/dbraw/zinc/02/86/85/725028685.db2.gz JFHSOVVUBALPFF-WBVHZDCISA-N 1 1 366.889 3.084 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)CCOC(C)C ZINC000788274093 725054330 /nfs/dbraw/zinc/05/43/30/725054330.db2.gz DPJJJEWZCNUAJF-OAHLLOKOSA-N 1 1 360.292 3.153 20 10 FGCDMO COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)[C@@H]1CCCO1 ZINC000788619203 725076614 /nfs/dbraw/zinc/07/66/14/725076614.db2.gz MXOFLZZPVMMWKZ-IIMNLJJBSA-N 1 1 362.239 3.138 20 10 FGCDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809701372 725260558 /nfs/dbraw/zinc/26/05/58/725260558.db2.gz XIPLUQOIYXVNGX-WMZOPIPTSA-N 1 1 350.478 3.178 20 10 FGCDMO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809713316 725261662 /nfs/dbraw/zinc/26/16/62/725261662.db2.gz HCRJXOIPWSUVRY-ZDUSSCGKSA-N 1 1 355.276 3.035 20 10 FGCDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000809713316 725261665 /nfs/dbraw/zinc/26/16/65/725261665.db2.gz HCRJXOIPWSUVRY-ZDUSSCGKSA-N 1 1 355.276 3.035 20 10 FGCDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816608377 727180328 /nfs/dbraw/zinc/18/03/28/727180328.db2.gz XUFSKYJDEGUCFQ-KRWDZBQOSA-N 1 1 353.340 3.473 20 10 FGCDMO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000818232137 727302659 /nfs/dbraw/zinc/30/26/59/727302659.db2.gz RVZMSDUDTVNBFF-MRVPVSSYSA-N 1 1 371.256 3.249 20 10 FGCDMO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1ccc(C(F)(F)F)cc1O ZINC000824515815 729344767 /nfs/dbraw/zinc/34/47/67/729344767.db2.gz IPFNQKRPJAZMRC-DOMZBBRYSA-N 1 1 353.344 3.073 20 10 FGCDMO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825710453 729392563 /nfs/dbraw/zinc/39/25/63/729392563.db2.gz QCSXPVNOCATTBB-GWCFXTLKSA-N 1 1 368.193 3.290 20 10 FGCDMO CCC[N@@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000827411547 729429848 /nfs/dbraw/zinc/42/98/48/729429848.db2.gz YUAVVOMQFNGYKQ-IBGZPJMESA-N 1 1 364.555 3.384 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)c1O ZINC000832621409 729722921 /nfs/dbraw/zinc/72/29/21/729722921.db2.gz ULZFZBCSLWOUII-UHFFFAOYSA-N 1 1 362.367 3.192 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c1O ZINC000832621409 729722924 /nfs/dbraw/zinc/72/29/24/729722924.db2.gz ULZFZBCSLWOUII-UHFFFAOYSA-N 1 1 362.367 3.192 20 10 FGCDMO CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1O ZINC000834882979 729842074 /nfs/dbraw/zinc/84/20/74/729842074.db2.gz WSAFMAOUVIYCNI-KRWDZBQOSA-N 1 1 366.458 3.023 20 10 FGCDMO CN(C)c1ccc(/C=C/C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000835026403 729850705 /nfs/dbraw/zinc/85/07/05/729850705.db2.gz SXYRLDCZQKEMAQ-ZSQQTYLHSA-N 1 1 350.528 3.053 20 10 FGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000835026403 729850708 /nfs/dbraw/zinc/85/07/08/729850708.db2.gz SXYRLDCZQKEMAQ-ZSQQTYLHSA-N 1 1 350.528 3.053 20 10 FGCDMO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1cc(Cl)c(F)cc1[O-] ZINC000835073281 729856234 /nfs/dbraw/zinc/85/62/34/729856234.db2.gz KQAFTKUKODVTOV-UHFFFAOYSA-N 1 1 355.841 3.184 20 10 FGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000840946735 730195324 /nfs/dbraw/zinc/19/53/24/730195324.db2.gz NURIWAZGEZRFCX-LLVKDONJSA-N 1 1 364.795 3.245 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000840946735 730195325 /nfs/dbraw/zinc/19/53/25/730195325.db2.gz NURIWAZGEZRFCX-LLVKDONJSA-N 1 1 364.795 3.245 20 10 FGCDMO COc1ccc(N(C)CC[N@H+](C)Cc2nc(-c3ccsc3)no2)cc1 ZINC000844399427 730713116 /nfs/dbraw/zinc/71/31/16/730713116.db2.gz ISYSLDYQFAQHCZ-UHFFFAOYSA-N 1 1 358.467 3.375 20 10 FGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2nc(-c3ccsc3)no2)cc1 ZINC000844399427 730713121 /nfs/dbraw/zinc/71/31/21/730713121.db2.gz ISYSLDYQFAQHCZ-UHFFFAOYSA-N 1 1 358.467 3.375 20 10 FGCDMO C[C@H](NC(=O)NCc1cc(Cl)ccc1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000845100584 730810157 /nfs/dbraw/zinc/81/01/57/730810157.db2.gz BJRBDEHRXGHWFU-KBPBESRZSA-N 1 1 365.905 3.498 20 10 FGCDMO CC(C)C[N@@H+](C)CCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000846688914 730972791 /nfs/dbraw/zinc/97/27/91/730972791.db2.gz USZWCYUIGAEISO-UHFFFAOYSA-N 1 1 360.527 3.024 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCN(C)C2)c1O ZINC000848527368 731175683 /nfs/dbraw/zinc/17/56/83/731175683.db2.gz AKIBVLWGSJPMQA-RYUDHWBXSA-N 1 1 357.292 3.156 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1[O-] ZINC000852754049 731630757 /nfs/dbraw/zinc/63/07/57/731630757.db2.gz NLYOIINLNKHYFB-OAHLLOKOSA-N 1 1 350.890 3.460 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CCO[C@@](C)(C(F)F)C3)cc2)CC1 ZINC000852784008 731635188 /nfs/dbraw/zinc/63/51/88/731635188.db2.gz APOLMLCFAORRPK-LJQANCHMSA-N 1 1 354.441 3.158 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCO[C@@](C)(C(F)F)C3)cc2)CC1 ZINC000852784008 731635189 /nfs/dbraw/zinc/63/51/89/731635189.db2.gz APOLMLCFAORRPK-LJQANCHMSA-N 1 1 354.441 3.158 20 10 FGCDMO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000862245320 732796650 /nfs/dbraw/zinc/79/66/50/732796650.db2.gz NAJNBSWEZNLQHQ-IBGZPJMESA-N 1 1 350.409 3.205 20 10 FGCDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000862245320 732796655 /nfs/dbraw/zinc/79/66/55/732796655.db2.gz NAJNBSWEZNLQHQ-IBGZPJMESA-N 1 1 350.409 3.205 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000862427942 732832528 /nfs/dbraw/zinc/83/25/28/732832528.db2.gz IRHLMJJKKFEVIV-GOSISDBHSA-N 1 1 357.523 3.437 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1O ZINC000866536916 733362979 /nfs/dbraw/zinc/36/29/79/733362979.db2.gz XQQUTRFSYWVTJB-CHWSQXEVSA-N 1 1 351.443 3.389 20 10 FGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)c1cc(Br)no1 ZINC000878150444 736780505 /nfs/dbraw/zinc/78/05/05/736780505.db2.gz DKLPMHJYQUXTCR-CYBMUJFWSA-N 1 1 355.232 3.088 20 10 FGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)c1cc(Br)no1 ZINC000878150445 736780691 /nfs/dbraw/zinc/78/06/91/736780691.db2.gz DKLPMHJYQUXTCR-ZDUSSCGKSA-N 1 1 355.232 3.088 20 10 FGCDMO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000883308335 737552050 /nfs/dbraw/zinc/55/20/50/737552050.db2.gz MYKAZLYBIRAMNU-VHSXEESVSA-N 1 1 352.283 3.317 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c1 ZINC000886331402 739245711 /nfs/dbraw/zinc/24/57/11/739245711.db2.gz FRRBBDRXHUEZGK-RVSPLBMKSA-N 1 1 370.287 3.279 20 10 FGCDMO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894786142 742334275 /nfs/dbraw/zinc/33/42/75/742334275.db2.gz FQJALTWIQAEKNU-IBGZPJMESA-N 1 1 351.368 3.237 20 10 FGCDMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894786142 742334282 /nfs/dbraw/zinc/33/42/82/742334282.db2.gz FQJALTWIQAEKNU-IBGZPJMESA-N 1 1 351.368 3.237 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1O ZINC000895847877 742462776 /nfs/dbraw/zinc/46/27/76/742462776.db2.gz WWBIOKYRBYGRGX-FZMZJTMJSA-N 1 1 356.260 3.164 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2ccc(CCO)cc2)c1 ZINC000898170743 742752793 /nfs/dbraw/zinc/75/27/93/742752793.db2.gz KVRMBFZUVHHPNP-UHFFFAOYSA-N 1 1 350.256 3.288 20 10 FGCDMO FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000916836162 758142817 /nfs/dbraw/zinc/14/28/17/758142817.db2.gz CNJSYYUMQHNYCC-KRWDZBQOSA-N 1 1 358.404 3.067 20 10 FGCDMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000922389221 758910297 /nfs/dbraw/zinc/91/02/97/758910297.db2.gz SIGXTKAONBNISJ-LMSBXDPUSA-N 1 1 373.324 3.268 20 10 FGCDMO C[NH+](C)CC[C@H](NCc1cccc(Br)c1O)c1cccnc1 ZINC000922632772 758966188 /nfs/dbraw/zinc/96/61/88/758966188.db2.gz VLRWSHJNVGNPKS-INIZCTEOSA-N 1 1 364.287 3.332 20 10 FGCDMO CC[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccc(F)cc1O ZINC000926905573 759841493 /nfs/dbraw/zinc/84/14/93/759841493.db2.gz LYIJPQYGEVCTPH-MRXNPFEDSA-N 1 1 351.443 3.218 20 10 FGCDMO Oc1ccccc1C[N@@H+](CCOC1CCSCC1)C[C@H]1CCCO1 ZINC000929970893 760503774 /nfs/dbraw/zinc/50/37/74/760503774.db2.gz LPEQAUKHNITINW-GOSISDBHSA-N 1 1 351.512 3.285 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCN(c3ccccn3)CC2)c1O ZINC000079440807 494455019 /nfs/dbraw/zinc/45/50/19/494455019.db2.gz MCWWENGGWABNKY-UHFFFAOYSA-N 1 1 357.429 3.230 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C2CCN(c3ccccn3)CC2)c1O ZINC000079440807 494455026 /nfs/dbraw/zinc/45/50/26/494455026.db2.gz MCWWENGGWABNKY-UHFFFAOYSA-N 1 1 357.429 3.230 20 10 FGCDMO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)N1CCN(C)CC1 ZINC000127367416 494934680 /nfs/dbraw/zinc/93/46/80/494934680.db2.gz WJTBLYVPHOUPPN-QZTJIDSGSA-N 1 1 362.537 3.103 20 10 FGCDMO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151357189 495813845 /nfs/dbraw/zinc/81/38/45/495813845.db2.gz AJLWOHGURSFXKG-QGZVFWFLSA-N 1 1 363.521 3.313 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000180678005 496100696 /nfs/dbraw/zinc/10/06/96/496100696.db2.gz YLHFNFQYLISCGW-CANCMXDXSA-N 1 1 363.479 3.340 20 10 FGCDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(Br)cc(C)c3O)[C@H]2C1 ZINC000180779124 496143259 /nfs/dbraw/zinc/14/32/59/496143259.db2.gz VMUWOHAMHYOTQF-PMPSAXMXSA-N 1 1 370.287 3.231 20 10 FGCDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(Br)cc(C)c3O)[C@H]2C1 ZINC000180779124 496143262 /nfs/dbraw/zinc/14/32/62/496143262.db2.gz VMUWOHAMHYOTQF-PMPSAXMXSA-N 1 1 370.287 3.231 20 10 FGCDMO O=C(CCc1ccncc1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158073269 496621573 /nfs/dbraw/zinc/62/15/73/496621573.db2.gz UAWGGHFIWHGRRG-SFHVURJKSA-N 1 1 373.884 3.154 20 10 FGCDMO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268786750 496785564 /nfs/dbraw/zinc/78/55/64/496785564.db2.gz CUGZKNJJFHFPQF-ZDUSSCGKSA-N 1 1 360.458 3.222 20 10 FGCDMO CN(C(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1)c1nccs1 ZINC000264991530 497027231 /nfs/dbraw/zinc/02/72/31/497027231.db2.gz MZBFWXDWWBHJCR-UHFFFAOYSA-N 1 1 358.511 3.228 20 10 FGCDMO CN(C(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1)c1nccs1 ZINC000264991530 497027238 /nfs/dbraw/zinc/02/72/38/497027238.db2.gz MZBFWXDWWBHJCR-UHFFFAOYSA-N 1 1 358.511 3.228 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278296906 497066382 /nfs/dbraw/zinc/06/63/82/497066382.db2.gz VJVWEFBXAZUDBE-UHFFFAOYSA-N 1 1 370.405 3.404 20 10 FGCDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2O)o1 ZINC000278547024 497149684 /nfs/dbraw/zinc/14/96/84/497149684.db2.gz YJIUOSUQQNZZHX-AWEZNQCLSA-N 1 1 362.382 3.386 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000246410517 497724382 /nfs/dbraw/zinc/72/43/82/497724382.db2.gz UUADOMZFMSWTOP-WIYYLYMNSA-N 1 1 372.557 3.405 20 10 FGCDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295856249 497831252 /nfs/dbraw/zinc/83/12/52/497831252.db2.gz BONKDQHBZACGQH-UIFIKXQLSA-N 1 1 372.509 3.075 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C(F)(F)F)n2)c1 ZINC000296508406 498071808 /nfs/dbraw/zinc/07/18/08/498071808.db2.gz PKRHAMOEHHBKRK-JTQLQIEISA-N 1 1 354.328 3.443 20 10 FGCDMO CCN1CCC[C@@H](C[N@@H+](C)Cc2cc(F)ccc2O)[C@@H]1c1cnn(C)c1 ZINC000364713200 498106991 /nfs/dbraw/zinc/10/69/91/498106991.db2.gz FXTCLMONHLLPKW-MGPUTAFESA-N 1 1 360.477 3.170 20 10 FGCDMO O=C1C[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)CN1Cc1ccccc1 ZINC000293494348 498400814 /nfs/dbraw/zinc/40/08/14/498400814.db2.gz AZBLWZGZTIZPJB-CQSZACIVSA-N 1 1 362.832 3.323 20 10 FGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1C ZINC000294738380 498788794 /nfs/dbraw/zinc/78/87/94/498788794.db2.gz DTASUNCFKXILII-LJQANCHMSA-N 1 1 355.482 3.139 20 10 FGCDMO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c(O)c1 ZINC000284115809 499051273 /nfs/dbraw/zinc/05/12/73/499051273.db2.gz NNEFGJQGYOSKGC-QGZVFWFLSA-N 1 1 354.498 3.007 20 10 FGCDMO CCCC[N@@H+](Cc1cnc(-c2cnn(C)c2)nc1)Cc1ccccc1O ZINC000370277274 499204828 /nfs/dbraw/zinc/20/48/28/499204828.db2.gz TZJCHSLPOTYXAY-UHFFFAOYSA-N 1 1 351.454 3.385 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1cc(-c2cccnc2)n[nH]1)C[C@H]1CCCO1 ZINC000371321353 499309998 /nfs/dbraw/zinc/30/99/98/499309998.db2.gz PQDGONAFLOZYSP-LJQANCHMSA-N 1 1 364.449 3.359 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000371397305 499320817 /nfs/dbraw/zinc/32/08/17/499320817.db2.gz ZYBCQFHEDDXRFL-ZDUSSCGKSA-N 1 1 361.467 3.098 20 10 FGCDMO O=C(c1c[nH]c2ccccc12)N1CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC000376178265 499589308 /nfs/dbraw/zinc/58/93/08/499589308.db2.gz PDAXOSIQRQHMPJ-UHFFFAOYSA-N 1 1 367.424 3.361 20 10 FGCDMO O=C(c1c[nH]c2ccccc12)N1CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC000376178265 499589309 /nfs/dbraw/zinc/58/93/09/499589309.db2.gz PDAXOSIQRQHMPJ-UHFFFAOYSA-N 1 1 367.424 3.361 20 10 FGCDMO CN1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000377760652 499730135 /nfs/dbraw/zinc/73/01/35/499730135.db2.gz JXYORVYAJSTJOG-GGAORHGYSA-N 1 1 365.521 3.306 20 10 FGCDMO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)c1O ZINC000377803573 499736701 /nfs/dbraw/zinc/73/67/01/499736701.db2.gz YAUUTHMJZYMGMV-CMPLNLGQSA-N 1 1 350.260 3.394 20 10 FGCDMO CO[C@H]1CC[C@H](NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000435993567 501055067 /nfs/dbraw/zinc/05/50/67/501055067.db2.gz VOZYCRWORDNKOX-IRXDYDNUSA-N 1 1 369.509 3.092 20 10 FGCDMO CS[C@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000452555865 501522681 /nfs/dbraw/zinc/52/26/81/501522681.db2.gz ZEGZUMLZLLRADE-INIZCTEOSA-N 1 1 371.550 3.372 20 10 FGCDMO CC[N@@H+](CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)C1CC1 ZINC000489909310 503063181 /nfs/dbraw/zinc/06/31/81/503063181.db2.gz WPISEUIZRZLHKQ-UHFFFAOYSA-N 1 1 357.498 3.119 20 10 FGCDMO CCOC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000529664809 504754917 /nfs/dbraw/zinc/75/49/17/504754917.db2.gz DVKYJTCYWDIFNX-FQEVSTJZSA-N 1 1 357.450 3.209 20 10 FGCDMO CCOC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000529664809 504754921 /nfs/dbraw/zinc/75/49/21/504754921.db2.gz DVKYJTCYWDIFNX-FQEVSTJZSA-N 1 1 357.450 3.209 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ncccc2O)C1 ZINC000584759191 507488961 /nfs/dbraw/zinc/48/89/61/507488961.db2.gz APHPHJBCJFSSMO-UHFFFAOYSA-N 1 1 364.449 3.147 20 10 FGCDMO Cc1cc(C)c(-c2nn[nH]n2)c(N2CC=C(c3ccc(Cl)nc3)CC2)[nH+]1 ZINC000826262485 608295854 /nfs/dbraw/zinc/29/58/54/608295854.db2.gz QFWFCXUBYVDAIK-UHFFFAOYSA-N 1 1 367.844 3.221 20 10 FGCDMO Cc1cc(C(=O)CN2CC[NH+](C)CC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000022817022 695657512 /nfs/dbraw/zinc/65/75/12/695657512.db2.gz WNVQKUVKWAKKMX-UHFFFAOYSA-N 1 1 363.864 3.317 20 10 FGCDMO CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)Cc1cc(Br)ccc1O ZINC000076118463 700224545 /nfs/dbraw/zinc/22/45/45/700224545.db2.gz WLSGFOWERJHNKJ-LBPRGKRZSA-N 1 1 357.292 3.137 20 10 FGCDMO C[N@H+](CCS(C)(=O)=O)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000076265766 700229933 /nfs/dbraw/zinc/22/99/33/700229933.db2.gz ZSYDNTOVXIBLBR-UHFFFAOYSA-N 1 1 355.544 3.464 20 10 FGCDMO C[N@@H+](CCS(C)(=O)=O)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000076265766 700229936 /nfs/dbraw/zinc/22/99/36/700229936.db2.gz ZSYDNTOVXIBLBR-UHFFFAOYSA-N 1 1 355.544 3.464 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](OCC(C)C)C2)c1O ZINC000091964168 700429589 /nfs/dbraw/zinc/42/95/89/700429589.db2.gz DMXIPDNJAVXIAZ-CQSZACIVSA-N 1 1 358.276 3.410 20 10 FGCDMO COc1cc(Br)cc(CN(C)CC[C@H]2CCCC[N@H+]2C)c1O ZINC000093659934 700453055 /nfs/dbraw/zinc/45/30/55/700453055.db2.gz WFMYHAYVRMTMQZ-OAHLLOKOSA-N 1 1 371.319 3.470 20 10 FGCDMO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cccc(Br)c1O ZINC000093864101 700455274 /nfs/dbraw/zinc/45/52/74/700455274.db2.gz XWWJXSQJCCSZFI-CQSZACIVSA-N 1 1 350.260 3.398 20 10 FGCDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cccc(Br)c1O ZINC000093864101 700455275 /nfs/dbraw/zinc/45/52/75/700455275.db2.gz XWWJXSQJCCSZFI-CQSZACIVSA-N 1 1 350.260 3.398 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1 ZINC000128474666 700775800 /nfs/dbraw/zinc/77/58/00/700775800.db2.gz WDENVHMIYOGQHJ-OAHLLOKOSA-N 1 1 350.459 3.232 20 10 FGCDMO CC(C)([NH2+]Cc1cccc(Br)c1O)C(=O)NCC1CCCC1 ZINC000136037044 704856933 /nfs/dbraw/zinc/85/69/33/704856933.db2.gz HFZKYUOEZBLVQC-UHFFFAOYSA-N 1 1 369.303 3.329 20 10 FGCDMO CN(CC(F)(F)F)C(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000154083331 705021844 /nfs/dbraw/zinc/02/18/44/705021844.db2.gz HUSFMARTVFKPFW-UHFFFAOYSA-N 1 1 357.420 3.129 20 10 FGCDMO CCc1nsc(N2CCC[N@@H+](Cc3cc4c(cc3O)CCC4)CC2)n1 ZINC000173558550 705464129 /nfs/dbraw/zinc/46/41/29/705464129.db2.gz NZUUEOACOGPZHK-UHFFFAOYSA-N 1 1 358.511 3.007 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3CC[C@@H](CO)C3)c2C)c1 ZINC000174703424 705515369 /nfs/dbraw/zinc/51/53/69/705515369.db2.gz MYSKLQKFYALHQY-MRXNPFEDSA-N 1 1 358.507 3.313 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3CC[C@@H](CO)C3)c2C)c1 ZINC000174703424 705515374 /nfs/dbraw/zinc/51/53/74/705515374.db2.gz MYSKLQKFYALHQY-MRXNPFEDSA-N 1 1 358.507 3.313 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCCN(C(C)C)C1=O ZINC000177027183 705601295 /nfs/dbraw/zinc/60/12/95/705601295.db2.gz DCMRWXJOZMISPN-OAHLLOKOSA-N 1 1 369.303 3.376 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000193195006 712884673 /nfs/dbraw/zinc/88/46/73/712884673.db2.gz YCUAXSLDVRSVIB-KRWDZBQOSA-N 1 1 361.873 3.490 20 10 FGCDMO OC[C@H](C[NH2+]Cc1cccc(F)c1O)Cc1ccccc1Br ZINC000763421226 723341923 /nfs/dbraw/zinc/34/19/23/723341923.db2.gz NSFZKLNKGUNOIH-LBPRGKRZSA-N 1 1 368.246 3.235 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1 ZINC000781919559 724612754 /nfs/dbraw/zinc/61/27/54/724612754.db2.gz DFOKRRNZKQTHNC-UHFFFAOYSA-N 1 1 369.303 3.153 20 10 FGCDMO Oc1cccc(Cl)c1C[NH2+]Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000733322236 722495702 /nfs/dbraw/zinc/49/57/02/722495702.db2.gz DPYZPIYVABVGJI-UHFFFAOYSA-N 1 1 356.735 3.397 20 10 FGCDMO CCc1cc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000740866317 722538665 /nfs/dbraw/zinc/53/86/65/722538665.db2.gz BLGSPDMBRYMUII-OAHLLOKOSA-N 1 1 353.528 3.119 20 10 FGCDMO Oc1cc2c(cc1C[N@@H+]1CCc3c(Br)cccc3C1)OCO2 ZINC000749675937 722736380 /nfs/dbraw/zinc/73/63/80/722736380.db2.gz NTQCHOZSFCSCIA-UHFFFAOYSA-N 1 1 362.223 3.442 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCc3c(Br)cccc3C1)OCO2 ZINC000749675937 722736383 /nfs/dbraw/zinc/73/63/83/722736383.db2.gz NTQCHOZSFCSCIA-UHFFFAOYSA-N 1 1 362.223 3.442 20 10 FGCDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCCSc1nccs1 ZINC000759581983 723009983 /nfs/dbraw/zinc/00/99/83/723009983.db2.gz ZBKNFFZSUYERIP-OKILXGFUSA-N 1 1 356.561 3.187 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000761191856 723131685 /nfs/dbraw/zinc/13/16/85/723131685.db2.gz XYZHQGWZCVSTHR-CQSZACIVSA-N 1 1 370.877 3.495 20 10 FGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](C)CS(C)(=O)=O ZINC000792822285 723371672 /nfs/dbraw/zinc/37/16/72/723371672.db2.gz KAJMZHTYMPWWTL-LBPRGKRZSA-N 1 1 366.449 3.026 20 10 FGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](C)CS(C)(=O)=O ZINC000792822285 723371674 /nfs/dbraw/zinc/37/16/74/723371674.db2.gz KAJMZHTYMPWWTL-LBPRGKRZSA-N 1 1 366.449 3.026 20 10 FGCDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792840369 723373358 /nfs/dbraw/zinc/37/33/58/723373358.db2.gz HDHQMBMIGYGVLU-AWEZNQCLSA-N 1 1 357.420 3.072 20 10 FGCDMO CC[C@H]1C[N@H+](Cc2ccc(N(CC)CC)c(F)c2)C[C@]2(CCOC2)O1 ZINC000793362437 723429879 /nfs/dbraw/zinc/42/98/79/723429879.db2.gz SWKHXBXKRBLHPE-PXNSSMCTSA-N 1 1 350.478 3.442 20 10 FGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(CC)CC)c(F)c2)C[C@]2(CCOC2)O1 ZINC000793362437 723429881 /nfs/dbraw/zinc/42/98/81/723429881.db2.gz SWKHXBXKRBLHPE-PXNSSMCTSA-N 1 1 350.478 3.442 20 10 FGCDMO CC[C@H](C)[C@H](OC)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000793689962 723461076 /nfs/dbraw/zinc/46/10/76/723461076.db2.gz QXOYEPNRTPSQSX-OWQGQXMQSA-N 1 1 368.905 3.187 20 10 FGCDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N2CCOCC2)cc1Cl ZINC000764965225 723464101 /nfs/dbraw/zinc/46/41/01/723464101.db2.gz UFOJYRRJTNDRSN-CWFSZBLJSA-N 1 1 363.933 3.454 20 10 FGCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1(F)CCCC1 ZINC000773408695 723784183 /nfs/dbraw/zinc/78/41/83/723784183.db2.gz URACGSHSYKDGEG-HNNXBMFYSA-N 1 1 354.853 3.409 20 10 FGCDMO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)s1 ZINC000797138958 723785318 /nfs/dbraw/zinc/78/53/18/723785318.db2.gz BUPIYOYSUZTMPK-MXWKQRLJSA-N 1 1 366.462 3.259 20 10 FGCDMO COc1c(O)c(C[NH2+]Cc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000774987909 723948288 /nfs/dbraw/zinc/94/82/88/723948288.db2.gz CREBNRPUSQXGKE-UHFFFAOYSA-N 1 1 367.199 3.361 20 10 FGCDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000798963279 723980995 /nfs/dbraw/zinc/98/09/95/723980995.db2.gz BUXBCPFYYQWFQU-GOSISDBHSA-N 1 1 355.862 3.146 20 10 FGCDMO CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775500119 723996470 /nfs/dbraw/zinc/99/64/70/723996470.db2.gz WKSAJTFNKZSRPM-CRAIPNDOSA-N 1 1 353.938 3.360 20 10 FGCDMO COc1cccc(C[N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000775968247 724090438 /nfs/dbraw/zinc/09/04/38/724090438.db2.gz IDXUGRCTGNZOJP-KBPBESRZSA-N 1 1 350.459 3.231 20 10 FGCDMO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(OC)ccc1O ZINC000809690919 725258862 /nfs/dbraw/zinc/25/88/62/725258862.db2.gz FQLGSVQOORXIKW-MRXNPFEDSA-N 1 1 350.459 3.282 20 10 FGCDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000809691631 725259128 /nfs/dbraw/zinc/25/91/28/725259128.db2.gz PIUGZSRBMCTNQP-CQSZACIVSA-N 1 1 371.275 3.255 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+](CCN(C)C)C[C@H]2CCCO2)c1O ZINC000809737636 725264024 /nfs/dbraw/zinc/26/40/24/725264024.db2.gz KBSCSLMGBGYVPF-MRXNPFEDSA-N 1 1 371.319 3.006 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+](CCN(C)C)C[C@H]2CCCO2)c1O ZINC000809737636 725264026 /nfs/dbraw/zinc/26/40/26/725264026.db2.gz KBSCSLMGBGYVPF-MRXNPFEDSA-N 1 1 371.319 3.006 20 10 FGCDMO COC[C@]1(C[NH2+]Cc2c(O)ccc(Cl)c2F)OCCc2ccccc21 ZINC000810158384 725293585 /nfs/dbraw/zinc/29/35/85/725293585.db2.gz MDKGJDJZUXZLFK-IBGZPJMESA-N 1 1 365.832 3.389 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000814174183 726944718 /nfs/dbraw/zinc/94/47/18/726944718.db2.gz AYFBMYVLGBCMGF-SFHVURJKSA-N 1 1 352.544 3.180 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000814174183 726944720 /nfs/dbraw/zinc/94/47/20/726944720.db2.gz AYFBMYVLGBCMGF-SFHVURJKSA-N 1 1 352.544 3.180 20 10 FGCDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccc(F)c3O)CC[C@H]21 ZINC000814176465 726945092 /nfs/dbraw/zinc/94/50/92/726945092.db2.gz QEOLQHDMUCCVCN-CZUORRHYSA-N 1 1 350.434 3.363 20 10 FGCDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3O)CC[C@H]21 ZINC000814176465 726945094 /nfs/dbraw/zinc/94/50/94/726945094.db2.gz QEOLQHDMUCCVCN-CZUORRHYSA-N 1 1 350.434 3.363 20 10 FGCDMO COc1ccncc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000815630004 727087633 /nfs/dbraw/zinc/08/76/33/727087633.db2.gz UQQUISZXPOTESW-CQSZACIVSA-N 1 1 361.873 3.431 20 10 FGCDMO Cc1ccc([C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)N2CCOCC2)o1 ZINC000816530648 727172162 /nfs/dbraw/zinc/17/21/62/727172162.db2.gz PNDPXKSYAHPVNI-MRXNPFEDSA-N 1 1 368.836 3.249 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000816552228 727174583 /nfs/dbraw/zinc/17/45/83/727174583.db2.gz FBSBZFKELHSARQ-UHFFFAOYSA-N 1 1 364.730 3.195 20 10 FGCDMO COC1([C@H](C)[NH2+]Cc2cc(C)cc(Br)c2O)CCOCC1 ZINC000817419130 727249996 /nfs/dbraw/zinc/24/99/96/727249996.db2.gz BRPDDSGJLUSCRD-LBPRGKRZSA-N 1 1 358.276 3.137 20 10 FGCDMO COC(=O)c1cnc(SCc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000817585407 727268267 /nfs/dbraw/zinc/26/82/67/727268267.db2.gz KDFXPWJZBISPJY-UHFFFAOYSA-N 1 1 364.492 3.054 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824635275 729351801 /nfs/dbraw/zinc/35/18/01/729351801.db2.gz FZPFJLBHKGXOES-QFBILLFUSA-N 1 1 365.832 3.354 20 10 FGCDMO CCOc1cccc(C[N@@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1O ZINC000824733814 729357075 /nfs/dbraw/zinc/35/70/75/729357075.db2.gz ZFAXHGKMKSNPGI-UHFFFAOYSA-N 1 1 350.459 3.278 20 10 FGCDMO O=S1(=O)CC[C@]2(C1)CCC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000824976544 729366466 /nfs/dbraw/zinc/36/64/66/729366466.db2.gz BYVTZDCJMOXLLM-HXUWFJFHSA-N 1 1 362.539 3.078 20 10 FGCDMO O=S1(=O)CC[C@]2(C1)CCC[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000824976544 729366469 /nfs/dbraw/zinc/36/64/69/729366469.db2.gz BYVTZDCJMOXLLM-HXUWFJFHSA-N 1 1 362.539 3.078 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+](C[C@H](C)O)C(C)C)c(C)n1-c1ccc(Cl)cn1 ZINC000827772780 729434518 /nfs/dbraw/zinc/43/45/18/729434518.db2.gz VKYAHQPWCJNMIR-AWEZNQCLSA-N 1 1 363.889 3.416 20 10 FGCDMO Cc1cc(C(=O)C[N@H+](C[C@H](C)O)C(C)C)c(C)n1-c1ccc(Cl)cn1 ZINC000827772780 729434519 /nfs/dbraw/zinc/43/45/19/729434519.db2.gz VKYAHQPWCJNMIR-AWEZNQCLSA-N 1 1 363.889 3.416 20 10 FGCDMO Cc1cc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)ccc1N1CCCCC1 ZINC000827820621 729435473 /nfs/dbraw/zinc/43/54/73/729435473.db2.gz DFFKYZAAOKCXEI-KRWDZBQOSA-N 1 1 364.555 3.383 20 10 FGCDMO Cc1cc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)ccc1N1CCCCC1 ZINC000827820621 729435474 /nfs/dbraw/zinc/43/54/74/729435474.db2.gz DFFKYZAAOKCXEI-KRWDZBQOSA-N 1 1 364.555 3.383 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)C2(CO)CCOCC2)cc1 ZINC000827907858 729436863 /nfs/dbraw/zinc/43/68/63/729436863.db2.gz ISSLNWAXPCPBBJ-UHFFFAOYSA-N 1 1 360.523 3.358 20 10 FGCDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCN(Cc3cscn3)CC2)cc1 ZINC000835026778 729850538 /nfs/dbraw/zinc/85/05/38/729850538.db2.gz HNOQMERSXBYBNS-HWKANZROSA-N 1 1 356.539 3.430 20 10 FGCDMO CN(C)c1ccc(/C=C\C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000835026401 729850596 /nfs/dbraw/zinc/85/05/96/729850596.db2.gz SXYRLDCZQKEMAQ-YMHTTXFNSA-N 1 1 350.528 3.053 20 10 FGCDMO CN(C)c1ccc(/C=C\C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000835026401 729850599 /nfs/dbraw/zinc/85/05/99/729850599.db2.gz SXYRLDCZQKEMAQ-YMHTTXFNSA-N 1 1 350.528 3.053 20 10 FGCDMO C[C@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCCCO1 ZINC000837483482 730034404 /nfs/dbraw/zinc/03/44/04/730034404.db2.gz AVYSHEAFOKBLRD-VQIMIIECSA-N 1 1 366.889 3.085 20 10 FGCDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840947684 730195358 /nfs/dbraw/zinc/19/53/58/730195358.db2.gz BZEHAKVBFXGPDC-CQSZACIVSA-N 1 1 351.752 3.281 20 10 FGCDMO C[N@H+](Cc1cc(F)ccc1O)C[C@H](O)c1cccc(Br)c1 ZINC000840958079 730197370 /nfs/dbraw/zinc/19/73/70/730197370.db2.gz IEUSVBHRXHQVCD-INIZCTEOSA-N 1 1 354.219 3.459 20 10 FGCDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000840975762 730199842 /nfs/dbraw/zinc/19/98/42/730199842.db2.gz RBRFXZUSQUGXDX-INIZCTEOSA-N 1 1 356.260 3.238 20 10 FGCDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000840975762 730199843 /nfs/dbraw/zinc/19/98/43/730199843.db2.gz RBRFXZUSQUGXDX-INIZCTEOSA-N 1 1 356.260 3.238 20 10 FGCDMO C[C@@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1ccc(Cl)cc1O ZINC000841752868 730270804 /nfs/dbraw/zinc/27/08/04/730270804.db2.gz QOYHWEYZFPOHBI-GFCCVEGCSA-N 1 1 359.857 3.062 20 10 FGCDMO C[C@@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1ccc(Cl)cc1O ZINC000841752868 730270806 /nfs/dbraw/zinc/27/08/06/730270806.db2.gz QOYHWEYZFPOHBI-GFCCVEGCSA-N 1 1 359.857 3.062 20 10 FGCDMO [NH3+]C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCCCC1 ZINC000841939769 730285160 /nfs/dbraw/zinc/28/51/60/730285160.db2.gz KWDBRZLJECJLAP-CQSZACIVSA-N 1 1 360.285 3.406 20 10 FGCDMO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2[O-])C1 ZINC000844912719 730788752 /nfs/dbraw/zinc/78/87/52/730788752.db2.gz WKAPIZUXVRRPPF-HLLBOEOZSA-N 1 1 369.303 3.016 20 10 FGCDMO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)ccc2[O-])C1 ZINC000844912719 730788755 /nfs/dbraw/zinc/78/87/55/730788755.db2.gz WKAPIZUXVRRPPF-HLLBOEOZSA-N 1 1 369.303 3.016 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+]Cc2nnc(C)s2)c1O ZINC000848543964 731178653 /nfs/dbraw/zinc/17/86/53/731178653.db2.gz JDQSKVLZALDJBP-ZETCQYMHSA-N 1 1 358.261 3.174 20 10 FGCDMO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(C)cc(Br)c2O)C1 ZINC000850353774 731346961 /nfs/dbraw/zinc/34/69/61/731346961.db2.gz MJJQWZFFXHPVSM-JGGQBBKZSA-N 1 1 372.303 3.119 20 10 FGCDMO CCOCc1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)ccc1OC ZINC000850409819 731353803 /nfs/dbraw/zinc/35/38/03/731353803.db2.gz AFVVKDOCVQBYRL-SFHVURJKSA-N 1 1 351.393 3.333 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+][C@H]3CCCSCC3)cc2F)CC1 ZINC000850433753 731356961 /nfs/dbraw/zinc/35/69/61/731356961.db2.gz PPWHIAFRPJPWRS-KRWDZBQOSA-N 1 1 351.535 3.343 20 10 FGCDMO [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853093279 731664404 /nfs/dbraw/zinc/66/44/04/731664404.db2.gz HRCAEFFAKLTCKF-AWEZNQCLSA-N 1 1 353.304 3.366 20 10 FGCDMO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 ZINC000857057936 732098317 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CO[C@H]1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)Cc3cccnc3N2C1 ZINC000877687621 736704680 /nfs/dbraw/zinc/70/46/80/736704680.db2.gz KRCTUCJNMVVDAG-SJORKVTESA-N 1 1 359.857 3.050 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1c(O)cccc1F ZINC000886600988 739273688 /nfs/dbraw/zinc/27/36/88/739273688.db2.gz HCBSJUSZFUASJX-JTQLQIEISA-N 1 1 357.834 3.439 20 10 FGCDMO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)C1 ZINC000893962665 742219407 /nfs/dbraw/zinc/21/94/07/742219407.db2.gz RBYFKTBXEDIMBY-CYBMUJFWSA-N 1 1 352.425 3.141 20 10 FGCDMO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894786143 742333861 /nfs/dbraw/zinc/33/38/61/742333861.db2.gz FQJALTWIQAEKNU-LJQANCHMSA-N 1 1 351.368 3.237 20 10 FGCDMO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894786143 742333866 /nfs/dbraw/zinc/33/38/66/742333866.db2.gz FQJALTWIQAEKNU-LJQANCHMSA-N 1 1 351.368 3.237 20 10 FGCDMO Cc1nc([C@@H]2CC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)no1 ZINC000896236811 742519261 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Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCC3(CCOCC3)O2)c1 ZINC000922812646 759009696 /nfs/dbraw/zinc/00/96/96/759009696.db2.gz WHJMGLDCYHFKNO-CQSZACIVSA-N 1 1 370.287 3.281 20 10 FGCDMO FC(F)Oc1ccc(N2CCC(N[C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925578715 759508317 /nfs/dbraw/zinc/50/83/17/759508317.db2.gz YFCKSMCWXULQQA-KRWDZBQOSA-N 1 1 351.441 3.131 20 10 FGCDMO C[C@H]([NH2+]CCOC1CCOCC1)c1cc(Br)c(F)cc1O ZINC000927080158 759887250 /nfs/dbraw/zinc/88/72/50/759887250.db2.gz QJTGVMIUDKNNEV-JTQLQIEISA-N 1 1 362.239 3.140 20 10 FGCDMO OC[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779014222 724381021 /nfs/dbraw/zinc/38/10/21/724381021.db2.gz JOJBTRQITWCBQJ-GOSISDBHSA-N 1 1 364.848 3.036 20 10 FGCDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183109737 495838471 /nfs/dbraw/zinc/83/84/71/495838471.db2.gz SDJGVCQUWSFABK-KRWDZBQOSA-N 1 1 354.450 3.059 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1OC ZINC000180678040 496100328 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FGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1O ZINC000185118189 496667935 /nfs/dbraw/zinc/66/79/35/496667935.db2.gz YOLPDHPTBYJLIM-CYBMUJFWSA-N 1 1 362.420 3.482 20 10 FGCDMO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1ccc(F)cc1O ZINC000185131703 496674428 /nfs/dbraw/zinc/67/44/28/496674428.db2.gz PDJQNAPDNHOXTF-BFUOFWGJSA-N 1 1 358.413 3.500 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)c1 ZINC000273432619 496805255 /nfs/dbraw/zinc/80/52/55/496805255.db2.gz WDSMKMIMYMXBQJ-AWEZNQCLSA-N 1 1 355.438 3.025 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278385062 497097288 /nfs/dbraw/zinc/09/72/88/497097288.db2.gz MGPUUFGFGHSMKH-YJBOKZPZSA-N 1 1 358.394 3.176 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(F)cc1O ZINC000277014018 497715563 /nfs/dbraw/zinc/71/55/63/497715563.db2.gz CJCFZGVHHWEVCQ-JTQLQIEISA-N 1 1 357.834 3.439 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc([C@H]3CCOC3)no2)C1 ZINC000350564227 498115812 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20 10 FGCDMO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000363531627 498865940 /nfs/dbraw/zinc/86/59/40/498865940.db2.gz VWKFOISITRYXNQ-HXUWFJFHSA-N 1 1 367.380 3.271 20 10 FGCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000363531627 498865946 /nfs/dbraw/zinc/86/59/46/498865946.db2.gz VWKFOISITRYXNQ-HXUWFJFHSA-N 1 1 367.380 3.271 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)cc2)CC1 ZINC000295147177 498925405 /nfs/dbraw/zinc/92/54/05/498925405.db2.gz DWIYCIRUXFIBIH-WCRBZPEASA-N 1 1 357.542 3.359 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)N4C)cc2)CC1 ZINC000295147177 498925409 /nfs/dbraw/zinc/92/54/09/498925409.db2.gz DWIYCIRUXFIBIH-WCRBZPEASA-N 1 1 357.542 3.359 20 10 FGCDMO COC1CCN(c2ccc(CN(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000295147177 498925415 /nfs/dbraw/zinc/92/54/15/498925415.db2.gz DWIYCIRUXFIBIH-WCRBZPEASA-N 1 1 357.542 3.359 20 10 FGCDMO COC1CCN(c2ccc(CN(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000295147177 498925419 /nfs/dbraw/zinc/92/54/19/498925419.db2.gz DWIYCIRUXFIBIH-WCRBZPEASA-N 1 1 357.542 3.359 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCN2C(C)=O)c1O ZINC000366690728 499035464 /nfs/dbraw/zinc/03/54/64/499035464.db2.gz QDCFHMGVUWQBFR-JKSUJKDBSA-N 1 1 352.862 3.030 20 10 FGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363913189 499049988 /nfs/dbraw/zinc/04/99/88/499049988.db2.gz GYYJNLQLPUBKJL-FPOVZHCZSA-N 1 1 370.541 3.445 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)C[C@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000372811487 499178269 /nfs/dbraw/zinc/17/82/69/499178269.db2.gz GCOUJJCFFAUBFN-LJQANCHMSA-N 1 1 358.482 3.082 20 10 FGCDMO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000372854523 499184992 /nfs/dbraw/zinc/18/49/92/499184992.db2.gz DSDLZPMJRHAVQB-UWJYYQICSA-N 1 1 353.510 3.003 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC[C@@H]1N1CCN(C)CC1 ZINC000372854523 499184994 /nfs/dbraw/zinc/18/49/94/499184994.db2.gz DSDLZPMJRHAVQB-UWJYYQICSA-N 1 1 353.510 3.003 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000368810354 499335129 /nfs/dbraw/zinc/33/51/29/499335129.db2.gz NLTZCOIHORTJLY-HNNXBMFYSA-N 1 1 372.440 3.449 20 10 FGCDMO Cc1cc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c(C)n1-c1ccccn1 ZINC000371517769 499336934 /nfs/dbraw/zinc/33/69/34/499336934.db2.gz FWGRRXDQGQFYLE-UHFFFAOYSA-N 1 1 352.482 3.190 20 10 FGCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000373600494 499479126 /nfs/dbraw/zinc/47/91/26/499479126.db2.gz DBDHMHJXZQJQHH-SFHVURJKSA-N 1 1 360.479 3.273 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccco2)C1 ZINC000435654639 501007197 /nfs/dbraw/zinc/00/71/97/501007197.db2.gz LVGYJYXRLNRPDU-UHFFFAOYSA-N 1 1 351.450 3.317 20 10 FGCDMO COCCCCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435757153 501023595 /nfs/dbraw/zinc/02/35/95/501023595.db2.gz YDEGDDFPHFSANG-UHFFFAOYSA-N 1 1 371.525 3.341 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@]2(C)CCO[C@@H]2C)C1 ZINC000436026120 501059061 /nfs/dbraw/zinc/05/90/61/501059061.db2.gz NLMKRHPHSPFJKJ-ZHRRBRCNSA-N 1 1 369.509 3.092 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000436469375 501132321 /nfs/dbraw/zinc/13/23/21/501132321.db2.gz OVNNBDCXFZKWHC-CALCHBBNSA-N 1 1 369.509 3.044 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCOC2(C)C)C1 ZINC000452470385 501506899 /nfs/dbraw/zinc/50/68/99/501506899.db2.gz SFABDBIQYUVULZ-FQEVSTJZSA-N 1 1 369.509 3.092 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000472239900 502281691 /nfs/dbraw/zinc/28/16/91/502281691.db2.gz MSCBRFXZTZRBNV-FUHWJXTLSA-N 1 1 354.498 3.112 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000472239902 502281963 /nfs/dbraw/zinc/28/19/63/502281963.db2.gz MSCBRFXZTZRBNV-SJLPKXTDSA-N 1 1 354.498 3.112 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000157075675 705142318 /nfs/dbraw/zinc/14/23/18/705142318.db2.gz JBFNIRILZGAIPI-FQEVSTJZSA-N 1 1 364.555 3.465 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000157075675 705142323 /nfs/dbraw/zinc/14/23/23/705142323.db2.gz JBFNIRILZGAIPI-FQEVSTJZSA-N 1 1 364.555 3.465 20 10 FGCDMO CCN(C[C@@H]1CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1)CC(F)(F)F ZINC000164449745 705329548 /nfs/dbraw/zinc/32/95/48/705329548.db2.gz RYCNHGOUIBMIJT-AWEZNQCLSA-N 1 1 360.420 3.415 20 10 FGCDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000179958822 705722437 /nfs/dbraw/zinc/72/24/37/705722437.db2.gz HSQMUDULJFKOOC-NSHDSACASA-N 1 1 356.260 3.318 20 10 FGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1n1ccnc1 ZINC000246893570 713632246 /nfs/dbraw/zinc/63/22/46/713632246.db2.gz UDGPHXLTGYGNNT-IUODEOHRSA-N 1 1 350.260 3.434 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000373974992 713889457 /nfs/dbraw/zinc/88/94/57/713889457.db2.gz GERFPRFLGNIKIU-VBHSOAQHSA-N 1 1 355.862 3.213 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)c1O ZINC000374119681 713900617 /nfs/dbraw/zinc/90/06/17/713900617.db2.gz LSJUCCYALWZEOL-ZIAGYGMSSA-N 1 1 356.260 3.307 20 10 FGCDMO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(C)cc(Br)c2O)C1(C)C ZINC000780593408 724482623 /nfs/dbraw/zinc/48/26/23/724482623.db2.gz FYDAXVJXXVOUNN-PBHICJAKSA-N 1 1 372.303 3.119 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000780892648 724512185 /nfs/dbraw/zinc/51/21/85/724512185.db2.gz JTTLVABFPABKER-UONOGXRCSA-N 1 1 350.459 3.231 20 10 FGCDMO Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000781628803 724580101 /nfs/dbraw/zinc/58/01/01/724580101.db2.gz AGMOSJGDXFKLOM-GFCCVEGCSA-N 1 1 352.276 3.394 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](c2ccco2)N(C)C)c1 ZINC000781625481 724579811 /nfs/dbraw/zinc/57/98/11/724579811.db2.gz ZDIBLMBSJMFGGH-AWEZNQCLSA-N 1 1 353.260 3.449 20 10 FGCDMO CCOC(=O)CC[N@@H+](Cc1cc(C)cc(Br)c1[O-])C1CC1 ZINC000781897148 724608735 /nfs/dbraw/zinc/60/87/35/724608735.db2.gz CUTFCAGGWBQOFC-UHFFFAOYSA-N 1 1 356.260 3.381 20 10 FGCDMO CCOC(=O)CC[N@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000781897148 724608738 /nfs/dbraw/zinc/60/87/38/724608738.db2.gz CUTFCAGGWBQOFC-UHFFFAOYSA-N 1 1 356.260 3.381 20 10 FGCDMO CCOC(=O)CC[N@@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000781897148 724608740 /nfs/dbraw/zinc/60/87/40/724608740.db2.gz CUTFCAGGWBQOFC-UHFFFAOYSA-N 1 1 356.260 3.381 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000781904343 724610112 /nfs/dbraw/zinc/61/01/12/724610112.db2.gz GNBZPETWOPKQRM-UHFFFAOYSA-N 1 1 350.260 3.497 20 10 FGCDMO COC(=O)CC[N@@H+](Cc1cc(C)cc(Br)c1O)CC(C)C ZINC000781903354 724610126 /nfs/dbraw/zinc/61/01/26/724610126.db2.gz ZQIIINDZRNUNSO-UHFFFAOYSA-N 1 1 358.276 3.484 20 10 FGCDMO COC(=O)CC[N@H+](Cc1cc(C)cc(Br)c1O)CC(C)C ZINC000781903354 724610130 /nfs/dbraw/zinc/61/01/30/724610130.db2.gz ZQIIINDZRNUNSO-UHFFFAOYSA-N 1 1 358.276 3.484 20 10 FGCDMO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC000730254430 722466463 /nfs/dbraw/zinc/46/64/63/722466463.db2.gz PTJUZTMAJHOEOZ-OAHLLOKOSA-N 1 1 363.255 3.018 20 10 FGCDMO CC[C@H]1C(=O)NCC[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC000730254427 722466470 /nfs/dbraw/zinc/46/64/70/722466470.db2.gz PTJUZTMAJHOEOZ-HNNXBMFYSA-N 1 1 363.255 3.018 20 10 FGCDMO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733331079 722495853 /nfs/dbraw/zinc/49/58/53/722495853.db2.gz ZHOLGNNLAMCMCJ-OAHLLOKOSA-N 1 1 359.297 3.432 20 10 FGCDMO C[N@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000740866796 722538683 /nfs/dbraw/zinc/53/86/83/722538683.db2.gz HHLCRNMVPATDSG-CYBMUJFWSA-N 1 1 359.447 3.158 20 10 FGCDMO CC1(OCC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000746301655 722597727 /nfs/dbraw/zinc/59/77/27/722597727.db2.gz OMRZDUXXDQYWOA-INIZCTEOSA-N 1 1 366.889 3.085 20 10 FGCDMO COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756759391 722969677 /nfs/dbraw/zinc/96/96/77/722969677.db2.gz JATKKNJUORPWQT-NSHDSACASA-N 1 1 353.365 3.417 20 10 FGCDMO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Br)c(F)cc1O ZINC000756775413 722969940 /nfs/dbraw/zinc/96/99/40/722969940.db2.gz HFFFLNVMVWTQFL-RNFRBKRXSA-N 1 1 360.145 3.258 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000756778641 722969907 /nfs/dbraw/zinc/96/99/07/722969907.db2.gz OFWORULKWQUQOI-SZYCXQDTSA-N 1 1 353.509 3.209 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000756779248 722969974 /nfs/dbraw/zinc/96/99/74/722969974.db2.gz RUSXQMBGTPWAEE-BTDLBPIBSA-N 1 1 367.804 3.356 20 10 FGCDMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756872990 722971017 /nfs/dbraw/zinc/97/10/17/722971017.db2.gz FSFFFROICVLJAI-NSHDSACASA-N 1 1 355.406 3.315 20 10 FGCDMO COc1ccc(C[N@@H+](C)Cc2cc(Br)cc(OC)c2O)cn1 ZINC000757917264 722981233 /nfs/dbraw/zinc/98/12/33/722981233.db2.gz AALRMWIKUBIDPK-UHFFFAOYSA-N 1 1 367.243 3.199 20 10 FGCDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCSc2nccs2)C[C@@H]1C ZINC000759601305 723011202 /nfs/dbraw/zinc/01/12/02/723011202.db2.gz HFESDBGAKJATPA-UONOGXRCSA-N 1 1 356.561 3.140 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000789763947 723071633 /nfs/dbraw/zinc/07/16/33/723071633.db2.gz AWZUVKKGNUQUDW-OKILXGFUSA-N 1 1 371.319 3.004 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000789763947 723071635 /nfs/dbraw/zinc/07/16/35/723071635.db2.gz AWZUVKKGNUQUDW-OKILXGFUSA-N 1 1 371.319 3.004 20 10 FGCDMO CCOC(=O)c1csc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)n1 ZINC000790990053 723202790 /nfs/dbraw/zinc/20/27/90/723202790.db2.gz AXSOLXXHYLOBSZ-UHFFFAOYSA-N 1 1 358.822 3.150 20 10 FGCDMO CCN(CC)c1ccc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc1F ZINC000762479068 723246869 /nfs/dbraw/zinc/24/68/69/723246869.db2.gz BXTUGCZTVUYWKA-KRWDZBQOSA-N 1 1 351.510 3.262 20 10 FGCDMO CCN(CC)c1ccc(CNCCC[N@H+]2CCCO[C@@H](C)C2)cc1F ZINC000762479068 723246872 /nfs/dbraw/zinc/24/68/72/723246872.db2.gz BXTUGCZTVUYWKA-KRWDZBQOSA-N 1 1 351.510 3.262 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)cc1F ZINC000762479068 723246875 /nfs/dbraw/zinc/24/68/75/723246875.db2.gz BXTUGCZTVUYWKA-KRWDZBQOSA-N 1 1 351.510 3.262 20 10 FGCDMO C[C@H](NCC[N@H+]1CCC[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766274084 723565749 /nfs/dbraw/zinc/56/57/49/723565749.db2.gz SUMGHDTXSSNMHK-CVEARBPZSA-N 1 1 351.922 3.312 20 10 FGCDMO C[C@H]([NH2+]CCN1CCC[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766274084 723565752 /nfs/dbraw/zinc/56/57/52/723565752.db2.gz SUMGHDTXSSNMHK-CVEARBPZSA-N 1 1 351.922 3.312 20 10 FGCDMO CCN(CC)c1ccc(CNCc2ncc(C[NH+](C)C)s2)cc1F ZINC000796296344 723631167 /nfs/dbraw/zinc/63/11/67/723631167.db2.gz SSBUYPXKXBLHRE-UHFFFAOYSA-N 1 1 350.507 3.480 20 10 FGCDMO COC(=O)N1CCC(C[NH2+]Cc2cc(C)cc(Br)c2O)CC1 ZINC000796499721 723640481 /nfs/dbraw/zinc/64/04/81/723640481.db2.gz BMLPXXIFXRRZLY-UHFFFAOYSA-N 1 1 371.275 3.031 20 10 FGCDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440954 723657799 /nfs/dbraw/zinc/65/77/99/723657799.db2.gz BMGPLOLEUHBBRQ-SFHVURJKSA-N 1 1 363.841 3.372 20 10 FGCDMO CCOc1ccc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000769196428 723679286 /nfs/dbraw/zinc/67/92/86/723679286.db2.gz WCHALUJBNQDXOU-CQSZACIVSA-N 1 1 350.459 3.138 20 10 FGCDMO Cc1ccncc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771064701 723727066 /nfs/dbraw/zinc/72/70/66/723727066.db2.gz KNQQJIMFWBAIAJ-INIZCTEOSA-N 1 1 359.857 3.143 20 10 FGCDMO C[C@H](Nc1cc[nH+]cc1Br)c1ccc(N2CCOCC2)cc1 ZINC000775457882 723992693 /nfs/dbraw/zinc/99/26/93/723992693.db2.gz MNFVFRKTBRRQQD-ZDUSSCGKSA-N 1 1 362.271 3.276 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1O ZINC000775675048 724022304 /nfs/dbraw/zinc/02/23/04/724022304.db2.gz QKWMOFGTKZKQJU-CQSZACIVSA-N 1 1 356.260 3.191 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2C2OCCO2)c1O ZINC000775675048 724022307 /nfs/dbraw/zinc/02/23/07/724022307.db2.gz QKWMOFGTKZKQJU-CQSZACIVSA-N 1 1 356.260 3.191 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000775739070 724035932 /nfs/dbraw/zinc/03/59/32/724035932.db2.gz CBAMVMSVSBPKEY-ZFWWWQNUSA-N 1 1 350.459 3.278 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)c1 ZINC000776692814 724171213 /nfs/dbraw/zinc/17/12/13/724171213.db2.gz DNOZLUYXADNLIW-KGLIPLIRSA-N 1 1 350.459 3.231 20 10 FGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3Cc4ccc(Cl)cc4C3)cc2)CC1 ZINC000800285836 724175563 /nfs/dbraw/zinc/17/55/63/724175563.db2.gz CYONPRZHUKOCED-FQEVSTJZSA-N 1 1 355.913 3.349 20 10 FGCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777438058 724225712 /nfs/dbraw/zinc/22/57/12/724225712.db2.gz KTOUTMOYFBVCQI-KRWDZBQOSA-N 1 1 366.230 3.387 20 10 FGCDMO Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)c(=O)n1C ZINC000786933853 725008782 /nfs/dbraw/zinc/00/87/82/725008782.db2.gz CXIQQRRQICLELT-JTQLQIEISA-N 1 1 369.234 3.152 20 10 FGCDMO COC[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)[C@H]1CCCO1 ZINC000788619199 725076602 /nfs/dbraw/zinc/07/66/02/725076602.db2.gz MXOFLZZPVMMWKZ-BIGNPOOSSA-N 1 1 362.239 3.138 20 10 FGCDMO CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000806139202 725117664 /nfs/dbraw/zinc/11/76/64/725117664.db2.gz LLOYOWHGYAXUNO-QGZVFWFLSA-N 1 1 367.921 3.029 20 10 FGCDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000809690099 725258952 /nfs/dbraw/zinc/25/89/52/725258952.db2.gz HDSZXHYTEUUBIZ-LLVKDONJSA-N 1 1 364.795 3.326 20 10 FGCDMO CCC[N@H+](CCN1CCCC1)Cc1cc(Br)cc(OC)c1O ZINC000809700562 725260421 /nfs/dbraw/zinc/26/04/21/725260421.db2.gz JDFORVGMBCCCQV-UHFFFAOYSA-N 1 1 371.319 3.471 20 10 FGCDMO CCC[N@@H+](CCN1CCCC1)Cc1cc(Br)cc(OC)c1O ZINC000809700562 725260423 /nfs/dbraw/zinc/26/04/23/725260423.db2.gz JDFORVGMBCCCQV-UHFFFAOYSA-N 1 1 371.319 3.471 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2COC(=O)NC(C)C)c1 ZINC000809721072 725262643 /nfs/dbraw/zinc/26/26/43/725262643.db2.gz SEACIVILCXNRHK-INIZCTEOSA-N 1 1 350.459 3.280 20 10 FGCDMO C[NH+](C)CCN(Cc1ccccn1)Cc1cccc(Br)c1O ZINC000809742345 725264403 /nfs/dbraw/zinc/26/44/03/725264403.db2.gz SWINKKVVNDPTKW-UHFFFAOYSA-N 1 1 364.287 3.114 20 10 FGCDMO Cc1cc(Br)cc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000809767854 725266587 /nfs/dbraw/zinc/26/65/87/725266587.db2.gz VXVKXVQCUKGNOA-BBRMVZONSA-N 1 1 353.304 3.379 20 10 FGCDMO Cc1cc(Br)cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000809767854 725266588 /nfs/dbraw/zinc/26/65/88/725266588.db2.gz VXVKXVQCUKGNOA-BBRMVZONSA-N 1 1 353.304 3.379 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)OCCc3sccc32)c1 ZINC000810253179 725300098 /nfs/dbraw/zinc/30/00/98/725300098.db2.gz NNSYHNBWXCWZOC-CWTRNNRKSA-N 1 1 361.463 3.379 20 10 FGCDMO COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816530746 727172083 /nfs/dbraw/zinc/17/20/83/727172083.db2.gz SYTYCPIWROPJRQ-MRXNPFEDSA-N 1 1 355.793 3.025 20 10 FGCDMO O=C1[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCN1c1ccccc1F ZINC000816549330 727173973 /nfs/dbraw/zinc/17/39/73/727173973.db2.gz KYZPWPXDJGURTE-AWEZNQCLSA-N 1 1 352.768 3.219 20 10 FGCDMO CC(=O)Nc1cccc(OCC[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816547844 727174338 /nfs/dbraw/zinc/17/43/38/727174338.db2.gz LHGRBPQFBSWKQL-UHFFFAOYSA-N 1 1 352.793 3.312 20 10 FGCDMO COc1cc(OC)cc(OCC[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816557492 727175838 /nfs/dbraw/zinc/17/58/38/727175838.db2.gz SDMWQYCLJXLZJU-UHFFFAOYSA-N 1 1 355.793 3.371 20 10 FGCDMO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ncc(Br)cn2)c1O ZINC000816627135 727182011 /nfs/dbraw/zinc/18/20/11/727182011.db2.gz FTFABHPTMBTTQQ-QMMMGPOBSA-N 1 1 372.650 3.458 20 10 FGCDMO COc1cc(Br)cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000816642760 727184377 /nfs/dbraw/zinc/18/43/77/727184377.db2.gz KCKMNEOCMBZFFQ-QGZVFWFLSA-N 1 1 369.303 3.081 20 10 FGCDMO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817961350 727289802 /nfs/dbraw/zinc/28/98/02/727289802.db2.gz XOOSBMJBBSZJQI-QMTMVMCOSA-N 1 1 351.922 3.345 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000824635274 729351914 /nfs/dbraw/zinc/35/19/14/729351914.db2.gz FZPFJLBHKGXOES-LPHOPBHVSA-N 1 1 365.832 3.354 20 10 FGCDMO Cc1cc(O)c(C[NH+]2CCC(CCN3CCOCC3)CC2)cc1Cl ZINC000824650177 729353054 /nfs/dbraw/zinc/35/30/54/729353054.db2.gz MNCHLLKDWBLMEF-UHFFFAOYSA-N 1 1 352.906 3.288 20 10 FGCDMO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000824913904 729364708 /nfs/dbraw/zinc/36/47/08/729364708.db2.gz IHQQYKJNPYCTDK-LJQANCHMSA-N 1 1 359.491 3.458 20 10 FGCDMO CSC1(C[NH2+]Cc2ccc(Br)cc2[O-])CC[NH+](C)CC1 ZINC000825949234 729400580 /nfs/dbraw/zinc/40/05/80/729400580.db2.gz RFUCRKYKVISWCO-UHFFFAOYSA-N 1 1 359.333 3.072 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CO)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827354197 729429290 /nfs/dbraw/zinc/42/92/90/729429290.db2.gz NHQXSZLTBGWUTO-OAHLLOKOSA-N 1 1 361.873 3.030 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CO)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827354197 729429291 /nfs/dbraw/zinc/42/92/91/729429291.db2.gz NHQXSZLTBGWUTO-OAHLLOKOSA-N 1 1 361.873 3.030 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1 ZINC000827686578 729433376 /nfs/dbraw/zinc/43/33/76/729433376.db2.gz CGXFTKCTTOMDMX-ZDUSSCGKSA-N 1 1 369.303 3.200 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1 ZINC000827686578 729433377 /nfs/dbraw/zinc/43/33/77/729433377.db2.gz CGXFTKCTTOMDMX-ZDUSSCGKSA-N 1 1 369.303 3.200 20 10 FGCDMO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827813603 729435362 /nfs/dbraw/zinc/43/53/62/729435362.db2.gz WDKDMDORIJIQOE-KRWDZBQOSA-N 1 1 352.544 3.240 20 10 FGCDMO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827813603 729435363 /nfs/dbraw/zinc/43/53/63/729435363.db2.gz WDKDMDORIJIQOE-KRWDZBQOSA-N 1 1 352.544 3.240 20 10 FGCDMO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1cc(Cl)cc(OC)c1O ZINC000835075155 729856725 /nfs/dbraw/zinc/85/67/25/729856725.db2.gz POTHXWACIPIGSM-UHFFFAOYSA-N 1 1 367.877 3.053 20 10 FGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000841041257 730205417 /nfs/dbraw/zinc/20/54/17/730205417.db2.gz ZAAWZSHJKRAKTI-KRWDZBQOSA-N 1 1 366.278 3.444 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(Cl)cc1O ZINC000841758647 730271353 /nfs/dbraw/zinc/27/13/53/730271353.db2.gz UOBNDHGISUXYNV-ZFWWWQNUSA-N 1 1 351.878 3.376 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2c(C3CC3)cnn2C)c1 ZINC000850379585 731350290 /nfs/dbraw/zinc/35/02/90/731350290.db2.gz CGAZARUJDVDIEA-UHFFFAOYSA-N 1 1 350.260 3.364 20 10 FGCDMO C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000850497332 731364209 /nfs/dbraw/zinc/36/42/09/731364209.db2.gz UHFGGTMLCMNSPS-JRSYYBBYSA-N 1 1 363.323 3.373 20 10 FGCDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)s1 ZINC000852773833 731633894 /nfs/dbraw/zinc/63/38/94/731633894.db2.gz GWFHTCXMLMLKIK-OAHLLOKOSA-N 1 1 359.495 3.375 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 ZINC000857060943 732099456 /nfs/dbraw/zinc/09/94/56/732099456.db2.gz GJPCPYXVNUJMGX-HXUWFJFHSA-N 1 1 358.507 3.292 20 10 FGCDMO Cc1ccc(O)c(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000858133541 732183909 /nfs/dbraw/zinc/18/39/09/732183909.db2.gz SKBPAYRUMQRMRG-CQSZACIVSA-N 1 1 359.495 3.008 20 10 FGCDMO Cc1ccc(O)c(CNC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000858133541 732183911 /nfs/dbraw/zinc/18/39/11/732183911.db2.gz SKBPAYRUMQRMRG-CQSZACIVSA-N 1 1 359.495 3.008 20 10 FGCDMO Cc1ccc(O)c(CNC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000858133539 732183943 /nfs/dbraw/zinc/18/39/43/732183943.db2.gz SKBPAYRUMQRMRG-AWEZNQCLSA-N 1 1 359.495 3.008 20 10 FGCDMO Cc1ccc(O)c(CNC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000858133539 732183946 /nfs/dbraw/zinc/18/39/46/732183946.db2.gz SKBPAYRUMQRMRG-AWEZNQCLSA-N 1 1 359.495 3.008 20 10 FGCDMO Cc1ccc(O)c(C[NH2+]Cc2ncc(I)s2)c1 ZINC000858239280 732195980 /nfs/dbraw/zinc/19/59/80/732195980.db2.gz KTXPYURVQQDVMZ-UHFFFAOYSA-N 1 1 360.220 3.052 20 10 FGCDMO CC(C)CNC(=O)C1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862215248 732787335 /nfs/dbraw/zinc/78/73/35/732787335.db2.gz GCWQVMUOZIINLJ-UHFFFAOYSA-N 1 1 353.457 3.015 20 10 FGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1F ZINC000862348256 732812745 /nfs/dbraw/zinc/81/27/45/732812745.db2.gz HWZGVAFIKMXWNG-BMIGLBTASA-N 1 1 352.347 3.166 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1F ZINC000862348256 732812750 /nfs/dbraw/zinc/81/27/50/732812750.db2.gz HWZGVAFIKMXWNG-BMIGLBTASA-N 1 1 352.347 3.166 20 10 FGCDMO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1F ZINC000862365469 732816212 /nfs/dbraw/zinc/81/62/12/732816212.db2.gz TWWYCYLACKIOPO-RYUDHWBXSA-N 1 1 352.347 3.024 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1F ZINC000862365469 732816215 /nfs/dbraw/zinc/81/62/15/732816215.db2.gz TWWYCYLACKIOPO-RYUDHWBXSA-N 1 1 352.347 3.024 20 10 FGCDMO CCC1([NH+]2CCOCC2)CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000862536005 732845493 /nfs/dbraw/zinc/84/54/93/732845493.db2.gz CZXLOSQIRMEWOK-UHFFFAOYSA-N 1 1 368.905 3.131 20 10 FGCDMO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c1O ZINC000866438734 733349021 /nfs/dbraw/zinc/34/90/21/733349021.db2.gz AGHVIKIZZSGCBH-LLVKDONJSA-N 1 1 350.850 3.217 20 10 FGCDMO Cc1ccc(C[N@@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000876642373 736125423 /nfs/dbraw/zinc/12/54/23/736125423.db2.gz YOOXBKQQOKRAGZ-UHFFFAOYSA-N 1 1 363.479 3.005 20 10 FGCDMO COc1c(O)c(C[NH2+]CCSCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000877730866 736711026 /nfs/dbraw/zinc/71/10/26/736711026.db2.gz HWEUJMBGQOERIZ-UHFFFAOYSA-N 1 1 354.350 3.084 20 10 FGCDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)n1 ZINC000877812950 736726486 /nfs/dbraw/zinc/72/64/86/736726486.db2.gz GVSDYEYLEJXHRS-INIZCTEOSA-N 1 1 361.486 3.417 20 10 FGCDMO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2c(O)cccc2F)c1 ZINC000886509886 739263700 /nfs/dbraw/zinc/26/37/00/739263700.db2.gz IBAOMDHWWSFLJH-ZDUSSCGKSA-N 1 1 366.458 3.069 20 10 FGCDMO C[C@H](NC(=O)NCc1cccc(Cl)c1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000894107769 742240089 /nfs/dbraw/zinc/24/00/89/742240089.db2.gz QUGFUWJQVQOBOJ-ZFWWWQNUSA-N 1 1 365.905 3.498 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCCn3nncc3C2)cc1 ZINC000895756705 742451060 /nfs/dbraw/zinc/45/10/60/742451060.db2.gz LJIUXAFBEOTIQQ-UHFFFAOYSA-N 1 1 353.495 3.382 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCCn3nncc3C2)cc1 ZINC000895756705 742451065 /nfs/dbraw/zinc/45/10/65/742451065.db2.gz LJIUXAFBEOTIQQ-UHFFFAOYSA-N 1 1 353.495 3.382 20 10 FGCDMO COc1c(Cl)cccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000897482329 742682534 /nfs/dbraw/zinc/68/25/34/742682534.db2.gz QALDDAVADJNMSQ-UHFFFAOYSA-N 1 1 352.774 3.261 20 10 FGCDMO Oc1c(F)cc(Br)cc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897979063 742730062 /nfs/dbraw/zinc/73/00/62/742730062.db2.gz XEXZOEQTHXXEFC-UHFFFAOYSA-N 1 1 357.267 3.400 20 10 FGCDMO Cc1cc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000917462176 758224224 /nfs/dbraw/zinc/22/42/24/758224224.db2.gz BCGIMMCLKZCWAU-HNNXBMFYSA-N 1 1 353.528 3.255 20 10 FGCDMO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3[O-])C2)[C@@H]1C(C)C ZINC000922393622 758912850 /nfs/dbraw/zinc/91/28/50/758912850.db2.gz QREIZHVBNNQCLQ-YSHGAJCASA-N 1 1 352.906 3.005 20 10 FGCDMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3[O-])C2)[C@@H]1C(C)C ZINC000922393622 758912853 /nfs/dbraw/zinc/91/28/53/758912853.db2.gz QREIZHVBNNQCLQ-YSHGAJCASA-N 1 1 352.906 3.005 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)CC(=O)Nc3ccccc3)CC2)cc1 ZINC000072801455 494253475 /nfs/dbraw/zinc/25/34/75/494253475.db2.gz SQIVGNQHYOBPLL-UHFFFAOYSA-N 1 1 353.466 3.235 20 10 FGCDMO Cc1[nH+]ccn1CCCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000080052556 494577118 /nfs/dbraw/zinc/57/71/18/494577118.db2.gz UZQDVKKRRWKKNF-UHFFFAOYSA-N 1 1 369.513 3.414 20 10 FGCDMO CC(=O)Nc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000121304922 494691509 /nfs/dbraw/zinc/69/15/09/494691509.db2.gz KFGRSTVPKKHKPS-UHFFFAOYSA-N 1 1 353.466 3.114 20 10 FGCDMO Oc1ccccc1C[N@@H+](Cc1nc(-c2ccco2)no1)C[C@H]1CCCO1 ZINC000109761794 494915626 /nfs/dbraw/zinc/91/56/26/494915626.db2.gz KWNOCKRMTAEQCZ-OAHLLOKOSA-N 1 1 355.394 3.216 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1nc(-c2ccco2)no1)C[C@H]1CCCO1 ZINC000109761794 494915629 /nfs/dbraw/zinc/91/56/29/494915629.db2.gz KWNOCKRMTAEQCZ-OAHLLOKOSA-N 1 1 355.394 3.216 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000123858591 495198219 /nfs/dbraw/zinc/19/82/19/495198219.db2.gz HXPFEKZAURONOG-QGZVFWFLSA-N 1 1 356.470 3.446 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000123858591 495198222 /nfs/dbraw/zinc/19/82/22/495198222.db2.gz HXPFEKZAURONOG-QGZVFWFLSA-N 1 1 356.470 3.446 20 10 FGCDMO CN(C(=O)CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000134962141 495231393 /nfs/dbraw/zinc/23/13/93/495231393.db2.gz BWPORXPAZAZYGB-UHFFFAOYSA-N 1 1 367.493 3.008 20 10 FGCDMO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(N(C)C)cc1 ZINC000130498353 495400804 /nfs/dbraw/zinc/40/08/04/495400804.db2.gz DJBZHMHNKQMAQK-NRFANRHFSA-N 1 1 367.541 3.140 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000179741586 495713536 /nfs/dbraw/zinc/71/35/36/495713536.db2.gz JBSCAPRFYLZTBJ-AWEZNQCLSA-N 1 1 350.459 3.138 20 10 FGCDMO COc1ccc(O)c(C[NH+]2CCN(C(=O)Nc3cccc(C)c3)CC2)c1 ZINC000179951869 495797467 /nfs/dbraw/zinc/79/74/67/495797467.db2.gz GNDFDECYUZGVPJ-UHFFFAOYSA-N 1 1 355.438 3.059 20 10 FGCDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)cc(C(C)=O)c1O)CC2 ZINC000177290514 496007978 /nfs/dbraw/zinc/00/79/78/496007978.db2.gz XPMKZJRRGOHQEY-IRXDYDNUSA-N 1 1 367.873 3.000 20 10 FGCDMO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cccc(OC)c3O)n2)c1 ZINC000174658577 496049014 /nfs/dbraw/zinc/04/90/14/496049014.db2.gz WBJWCTGNOHHITK-GFCCVEGCSA-N 1 1 355.394 3.310 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1OC ZINC000180678024 496100883 /nfs/dbraw/zinc/10/08/83/496100883.db2.gz YLHFNFQYLISCGW-SHZVTRLKSA-N 1 1 363.479 3.340 20 10 FGCDMO C[C@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000180848262 496169424 /nfs/dbraw/zinc/16/94/24/496169424.db2.gz DLOKMMJPZIAAPW-MXFAVLBMSA-N 1 1 366.461 3.280 20 10 FGCDMO COc1cc(O)c(C[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1OC ZINC000184444507 496385885 /nfs/dbraw/zinc/38/58/85/496385885.db2.gz BNBGSNVGDOEBFR-UHFFFAOYSA-N 1 1 351.406 3.156 20 10 FGCDMO Cc1ccc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(O)c1O ZINC000182310234 496729164 /nfs/dbraw/zinc/72/91/64/496729164.db2.gz ZXTYQDSLEXFLTQ-UHFFFAOYSA-N 1 1 368.477 3.390 20 10 FGCDMO C[N@H+](Cc1ccn(C2CCCC2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000268703595 496763512 /nfs/dbraw/zinc/76/35/12/496763512.db2.gz RUDNMDDWGIUVJI-UHFFFAOYSA-N 1 1 354.498 3.467 20 10 FGCDMO C[N@@H+](Cc1ccn(C2CCCC2)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000268703595 496763518 /nfs/dbraw/zinc/76/35/18/496763518.db2.gz RUDNMDDWGIUVJI-UHFFFAOYSA-N 1 1 354.498 3.467 20 10 FGCDMO CCN1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000268779118 496782724 /nfs/dbraw/zinc/78/27/24/496782724.db2.gz PAOMDWMBCJJJKJ-UHFFFAOYSA-N 1 1 371.447 3.116 20 10 FGCDMO CC[NH+]1CCC(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000268779118 496782726 /nfs/dbraw/zinc/78/27/26/496782726.db2.gz PAOMDWMBCJJJKJ-UHFFFAOYSA-N 1 1 371.447 3.116 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195349395 496898738 /nfs/dbraw/zinc/89/87/38/496898738.db2.gz KAXMZJDAMCUOCM-KRWDZBQOSA-N 1 1 372.538 3.047 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195349395 496898745 /nfs/dbraw/zinc/89/87/45/496898745.db2.gz KAXMZJDAMCUOCM-KRWDZBQOSA-N 1 1 372.538 3.047 20 10 FGCDMO O=C(c1cccc(O)c1O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248713391 497085169 /nfs/dbraw/zinc/08/51/69/497085169.db2.gz DHZNQJXGUNIKLC-IEBWSBKVSA-N 1 1 366.461 3.225 20 10 FGCDMO COc1cc(O)c(C[NH2+]Cc2cccc(Br)c2O)cc1OC ZINC000278428276 497110631 /nfs/dbraw/zinc/11/06/31/497110631.db2.gz SSOWHKQXXQXOPH-UHFFFAOYSA-N 1 1 368.227 3.167 20 10 FGCDMO CCOc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)ccc1OC ZINC000278531731 497144779 /nfs/dbraw/zinc/14/47/79/497144779.db2.gz VESOZPNRFXHNMU-UHFFFAOYSA-N 1 1 362.382 3.006 20 10 FGCDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(OC)c2O)o1 ZINC000278547027 497149966 /nfs/dbraw/zinc/14/99/66/497149966.db2.gz YJIUOSUQQNZZHX-CQSZACIVSA-N 1 1 362.382 3.386 20 10 FGCDMO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1nc(-c2cccc(F)c2)no1 ZINC000237535733 497252453 /nfs/dbraw/zinc/25/24/53/497252453.db2.gz QUJJFPGYRFPLSX-JTQLQIEISA-N 1 1 357.341 3.161 20 10 FGCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000266693002 497400046 /nfs/dbraw/zinc/40/00/46/497400046.db2.gz UUFYOKBPILDIEZ-SFHVURJKSA-N 1 1 358.530 3.157 20 10 FGCDMO CCOC(=O)c1cnn(C2CC[NH+]([C@@H](C)c3ccc(F)cc3O)CC2)c1 ZINC000296641030 498132484 /nfs/dbraw/zinc/13/24/84/498132484.db2.gz YCKCSDRKKVBINB-ZDUSSCGKSA-N 1 1 361.417 3.303 20 10 FGCDMO OC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@H]1C(F)(F)F ZINC000289591243 498207380 /nfs/dbraw/zinc/20/73/80/498207380.db2.gz KJZVQRLGQQMHCP-ZYHUDNBSSA-N 1 1 368.193 3.147 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC(OC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000365826425 498657162 /nfs/dbraw/zinc/65/71/62/498657162.db2.gz QTWGNQNZRNBHJF-UHFFFAOYSA-N 1 1 350.415 3.233 20 10 FGCDMO Cc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1O ZINC000366305169 498866150 /nfs/dbraw/zinc/86/61/50/498866150.db2.gz PVLSRQZQIRHDAC-ZWKOTPCHSA-N 1 1 366.461 3.000 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)c1O ZINC000366690725 499034996 /nfs/dbraw/zinc/03/49/96/499034996.db2.gz QDCFHMGVUWQBFR-CVEARBPZSA-N 1 1 352.862 3.030 20 10 FGCDMO CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(Cl)c(F)cc1O ZINC000295511648 499039146 /nfs/dbraw/zinc/03/91/46/499039146.db2.gz ZHYCQCDRTBRSCA-UHFFFAOYSA-N 1 1 357.834 3.220 20 10 FGCDMO COCc1nccc([C@H]2CCC[N@@H+](Cc3cc(F)cc(C(C)=O)c3O)C2)n1 ZINC000372680257 499159713 /nfs/dbraw/zinc/15/97/13/499159713.db2.gz HENVTGVOYDUPHD-AWEZNQCLSA-N 1 1 373.428 3.050 20 10 FGCDMO COc1ccc([C@H](O)[C@@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2O)cc1 ZINC000371422279 499324797 /nfs/dbraw/zinc/32/47/97/499324797.db2.gz DZYQMOHWGNSAEF-UWJYYQICSA-N 1 1 373.449 3.116 20 10 FGCDMO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1nnc2n1CCCCC2 ZINC000371984972 499387254 /nfs/dbraw/zinc/38/72/54/499387254.db2.gz QNWBCIONSGFEPL-IAGOWNOFSA-N 1 1 369.513 3.253 20 10 FGCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000377246551 499673683 /nfs/dbraw/zinc/67/36/83/499673683.db2.gz UYBQYJJPJDBMSP-OFNKIYASSA-N 1 1 370.585 3.135 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000377246551 499673684 /nfs/dbraw/zinc/67/36/84/499673684.db2.gz UYBQYJJPJDBMSP-OFNKIYASSA-N 1 1 370.585 3.135 20 10 FGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)c1O ZINC000377803576 499736564 /nfs/dbraw/zinc/73/65/64/499736564.db2.gz YAUUTHMJZYMGMV-ZYHUDNBSSA-N 1 1 350.260 3.394 20 10 FGCDMO CO[C@H]1CCCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000444121275 500806248 /nfs/dbraw/zinc/80/62/48/500806248.db2.gz HLVXTOGZGYMXNY-KRWDZBQOSA-N 1 1 369.509 3.045 20 10 FGCDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472223071 502275769 /nfs/dbraw/zinc/27/57/69/502275769.db2.gz NFFIRIQXCJUFSG-QGZVFWFLSA-N 1 1 356.514 3.360 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)[N@@H+](C)C[C@@H]3C)ccc21 ZINC000509665392 502961029 /nfs/dbraw/zinc/96/10/29/502961029.db2.gz KUWMSRSDTJFLMV-CABCVRRESA-N 1 1 357.498 3.069 20 10 FGCDMO CC(C)[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(N(C)C)cc1 ZINC000824296672 608533584 /nfs/dbraw/zinc/53/35/84/608533584.db2.gz KEELIVHNAGVISJ-UHFFFAOYSA-N 1 1 356.499 3.405 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000825879277 608857145 /nfs/dbraw/zinc/85/71/45/608857145.db2.gz JYVWMQGKKNMKLX-UHFFFAOYSA-N 1 1 360.465 3.222 20 10 FGCDMO Oc1ccc(Br)cc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000092482229 700436482 /nfs/dbraw/zinc/43/64/82/700436482.db2.gz YFBVALOEMKXXKJ-UHFFFAOYSA-N 1 1 368.300 3.324 20 10 FGCDMO COC(=O)C[N@H+](Cc1cc(Br)cc(OC)c1O)C1CCCC1 ZINC000093707366 700453438 /nfs/dbraw/zinc/45/34/38/700453438.db2.gz SVRLRCCMJGWEGL-UHFFFAOYSA-N 1 1 372.259 3.081 20 10 FGCDMO COC(=O)C[N@@H+](Cc1cc(Br)cc(OC)c1O)C1CCCC1 ZINC000093707366 700453441 /nfs/dbraw/zinc/45/34/41/700453441.db2.gz SVRLRCCMJGWEGL-UHFFFAOYSA-N 1 1 372.259 3.081 20 10 FGCDMO CCc1cc(=O)[nH]c(C[N@@H+](CC)Cc2cc(Br)ccc2O)n1 ZINC000121604924 700676454 /nfs/dbraw/zinc/67/64/54/700676454.db2.gz AEVGTDOTQNMHAA-UHFFFAOYSA-N 1 1 366.259 3.235 20 10 FGCDMO CCc1cc(=O)[nH]c(C[N@H+](CC)Cc2cc(Br)ccc2O)n1 ZINC000121604924 700676456 /nfs/dbraw/zinc/67/64/56/700676456.db2.gz AEVGTDOTQNMHAA-UHFFFAOYSA-N 1 1 366.259 3.235 20 10 FGCDMO NC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(Br)ccc1O ZINC000122071243 700684015 /nfs/dbraw/zinc/68/40/15/700684015.db2.gz MANAJXXIEWJNCG-UHFFFAOYSA-N 1 1 363.255 3.032 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000123987836 700713224 /nfs/dbraw/zinc/71/32/24/700713224.db2.gz YYMQWWXLULDCPB-CYBMUJFWSA-N 1 1 358.182 3.256 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)CCC2CCOCC2)c1O ZINC000129626100 700790056 /nfs/dbraw/zinc/79/00/56/700790056.db2.gz KEUXVNHTZZCZHB-UHFFFAOYSA-N 1 1 358.276 3.412 20 10 FGCDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000130124229 700796699 /nfs/dbraw/zinc/79/66/99/700796699.db2.gz ZEQCLQVSZXLJLZ-OAHLLOKOSA-N 1 1 370.588 3.293 20 10 FGCDMO C[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[N@H+](C)C1CC1 ZINC000130806452 700806548 /nfs/dbraw/zinc/80/65/48/700806548.db2.gz XKOHQBLHWOITPO-CABCVRRESA-N 1 1 351.922 3.310 20 10 FGCDMO C[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[N@@H+](C)C1CC1 ZINC000130806452 700806551 /nfs/dbraw/zinc/80/65/51/700806551.db2.gz XKOHQBLHWOITPO-CABCVRRESA-N 1 1 351.922 3.310 20 10 FGCDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)NCCCSc1nccs1 ZINC000151769222 704936958 /nfs/dbraw/zinc/93/69/58/704936958.db2.gz OCEHKGCUXBHSQC-AWEZNQCLSA-N 1 1 356.561 3.189 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N(C)C(C)C ZINC000175285607 705541751 /nfs/dbraw/zinc/54/17/51/705541751.db2.gz IFKLCFIOQNQWDU-LBPRGKRZSA-N 1 1 357.292 3.232 20 10 FGCDMO CCCCNC(=O)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000179330931 705697969 /nfs/dbraw/zinc/69/79/69/705697969.db2.gz ABMHTTOUIFEZQF-UHFFFAOYSA-N 1 1 369.303 3.283 20 10 FGCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000179562197 705705176 /nfs/dbraw/zinc/70/51/76/705705176.db2.gz WECYXTJTPOBANN-CQSZACIVSA-N 1 1 355.356 3.283 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000179990973 705723551 /nfs/dbraw/zinc/72/35/51/705723551.db2.gz KYFHAWCUZMPQHR-UHFFFAOYSA-N 1 1 350.459 3.234 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1F ZINC000246192882 713619048 /nfs/dbraw/zinc/61/90/48/713619048.db2.gz LJOJEMRASPPDPJ-FFZOFVMBSA-N 1 1 350.478 3.440 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1F ZINC000246192882 713619051 /nfs/dbraw/zinc/61/90/51/713619051.db2.gz LJOJEMRASPPDPJ-FFZOFVMBSA-N 1 1 350.478 3.440 20 10 FGCDMO COc1cc(Br)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000246479292 713624769 /nfs/dbraw/zinc/62/47/69/713624769.db2.gz OUBCFVIAVJJPRO-SWLSCSKDSA-N 1 1 369.303 3.079 20 10 FGCDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCSc1nccs1 ZINC000247531453 713641714 /nfs/dbraw/zinc/64/17/14/713641714.db2.gz JNQHOOMYQZNZRF-KBPBESRZSA-N 1 1 356.561 3.045 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000302745114 713783706 /nfs/dbraw/zinc/78/37/06/713783706.db2.gz FUXYFNHSDTZEKE-UHFFFAOYSA-N 1 1 359.901 3.496 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000302745114 713783707 /nfs/dbraw/zinc/78/37/07/713783707.db2.gz FUXYFNHSDTZEKE-UHFFFAOYSA-N 1 1 359.901 3.496 20 10 FGCDMO CC[C@@H]1C[C@H](C[N@H+](CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000780758661 724498764 /nfs/dbraw/zinc/49/87/64/724498764.db2.gz VPQUOAQHGPBLOI-CZUORRHYSA-N 1 1 355.862 3.226 20 10 FGCDMO CC[C@@H]1C[C@H](C[N@@H+](CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000780758661 724498765 /nfs/dbraw/zinc/49/87/65/724498765.db2.gz VPQUOAQHGPBLOI-CZUORRHYSA-N 1 1 355.862 3.226 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000781907742 724610869 /nfs/dbraw/zinc/61/08/69/724610869.db2.gz IOGDVQIIYKHLKW-KBPBESRZSA-N 1 1 358.301 3.169 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000781907742 724610871 /nfs/dbraw/zinc/61/08/71/724610871.db2.gz IOGDVQIIYKHLKW-KBPBESRZSA-N 1 1 358.301 3.169 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000781917407 724612277 /nfs/dbraw/zinc/61/22/77/724612277.db2.gz DMKOZFRJJSYSIE-HNNXBMFYSA-N 1 1 354.219 3.425 20 10 FGCDMO Cc1cc(NC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000731852064 722478501 /nfs/dbraw/zinc/47/85/01/722478501.db2.gz KMNAXXUUSDGBFM-AWEZNQCLSA-N 1 1 364.833 3.128 20 10 FGCDMO O=[S@](CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000732203215 722482396 /nfs/dbraw/zinc/48/23/96/722482396.db2.gz PZPBUWBOCDPSGS-IQGLISFBSA-N 1 1 359.491 3.181 20 10 FGCDMO OCC[C@@H]1CSCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753548549 722903807 /nfs/dbraw/zinc/90/38/07/722903807.db2.gz LXNYLJHFKVRAJJ-GOSISDBHSA-N 1 1 359.491 3.271 20 10 FGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cccc(NS(C)(=O)=O)c1 ZINC000756496779 722965642 /nfs/dbraw/zinc/96/56/42/722965642.db2.gz XWKVIIBRFRHXKA-RYUDHWBXSA-N 1 1 352.431 3.315 20 10 FGCDMO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000760883208 723101149 /nfs/dbraw/zinc/10/11/49/723101149.db2.gz ARUJVUSEEUIHPY-DYQSUWPFSA-N 1 1 362.239 3.138 20 10 FGCDMO COc1cc([C@H](C)[NH2+]Cc2c(O)ccc(Cl)c2F)ccc1OCCO ZINC000790956987 723199258 /nfs/dbraw/zinc/19/92/58/723199258.db2.gz ZUBAKJSAMATOHI-NSHDSACASA-N 1 1 369.820 3.415 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c(C(F)(F)F)c1 ZINC000792800196 723368982 /nfs/dbraw/zinc/36/89/82/723368982.db2.gz VQTQPUQCCUFHGL-CYBMUJFWSA-N 1 1 357.420 3.249 20 10 FGCDMO CCOc1cccc(C[N@@H+](CC)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000793604510 723453414 /nfs/dbraw/zinc/45/34/14/723453414.db2.gz LNWDYBOGHJCFNM-UHFFFAOYSA-N 1 1 350.459 3.232 20 10 FGCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)cc2)CC1 ZINC000793614152 723455297 /nfs/dbraw/zinc/45/52/97/723455297.db2.gz OIGCZXKZDITAKA-MSOLQXFVSA-N 1 1 368.352 3.454 20 10 FGCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)cc2)CC1 ZINC000793614152 723455300 /nfs/dbraw/zinc/45/53/00/723455300.db2.gz OIGCZXKZDITAKA-MSOLQXFVSA-N 1 1 368.352 3.454 20 10 FGCDMO CC[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccc(F)cc1O ZINC000796801715 723655473 /nfs/dbraw/zinc/65/54/73/723655473.db2.gz XVVGFNDBECWIFF-KRWDZBQOSA-N 1 1 351.443 3.317 20 10 FGCDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768437963 723657487 /nfs/dbraw/zinc/65/74/87/723657487.db2.gz LGUHRJAVIKDQQY-INIZCTEOSA-N 1 1 353.340 3.469 20 10 FGCDMO C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cc(Cl)c(Cl)cc1O ZINC000774255531 723875309 /nfs/dbraw/zinc/87/53/09/723875309.db2.gz CZZHILBKOTVYTL-VIFPVBQESA-N 1 1 352.283 3.174 20 10 FGCDMO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000774351108 723884985 /nfs/dbraw/zinc/88/49/85/723884985.db2.gz BHLCKPRQQNPDNQ-NXEZZACHSA-N 1 1 352.283 3.317 20 10 FGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000775205423 723970832 /nfs/dbraw/zinc/97/08/32/723970832.db2.gz SULPBTIRAJNBAT-FQEVSTJZSA-N 1 1 350.478 3.443 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000775315654 723981403 /nfs/dbraw/zinc/98/14/03/723981403.db2.gz NNXQWOLIDNILRX-OAHLLOKOSA-N 1 1 350.256 3.156 20 10 FGCDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000775726142 724032036 /nfs/dbraw/zinc/03/20/36/724032036.db2.gz WNBJRKPEKLAWGH-OAHLLOKOSA-N 1 1 358.404 3.323 20 10 FGCDMO C[NH+](C)C1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000805178342 725054707 /nfs/dbraw/zinc/05/47/07/725054707.db2.gz MAXGRGALEWSPNW-UHFFFAOYSA-N 1 1 360.285 3.373 20 10 FGCDMO NC(=O)C[C@H]1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000808226606 725188685 /nfs/dbraw/zinc/18/86/85/725188685.db2.gz GJXBPLPGABGBQM-LLVKDONJSA-N 1 1 363.255 3.005 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)cc1 ZINC000809696782 725259761 /nfs/dbraw/zinc/25/97/61/725259761.db2.gz QSMAIMLVEVDNSR-QGZVFWFLSA-N 1 1 358.404 3.460 20 10 FGCDMO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809720202 725262432 /nfs/dbraw/zinc/26/24/32/725262432.db2.gz AAWVZPUDDOWMIG-MRXNPFEDSA-N 1 1 351.466 3.381 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@]2(C)CCCO)c1O ZINC000809757387 725265605 /nfs/dbraw/zinc/26/56/05/725265605.db2.gz MIIIFUNDMPMWSK-INIZCTEOSA-N 1 1 358.276 3.290 20 10 FGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810262037 725300391 /nfs/dbraw/zinc/30/03/91/725300391.db2.gz IRMONKLLIAUBKV-DLBZAZTESA-N 1 1 351.510 3.433 20 10 FGCDMO CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810262037 725300394 /nfs/dbraw/zinc/30/03/94/725300394.db2.gz IRMONKLLIAUBKV-DLBZAZTESA-N 1 1 351.510 3.433 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000811515363 725372116 /nfs/dbraw/zinc/37/21/16/725372116.db2.gz RGWYUZQRDZSNDW-UHFFFAOYSA-N 1 1 356.850 3.105 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c1O ZINC000811515363 725372118 /nfs/dbraw/zinc/37/21/18/725372118.db2.gz RGWYUZQRDZSNDW-UHFFFAOYSA-N 1 1 356.850 3.105 20 10 FGCDMO Oc1ccc(CCNc2cc[nH+]c3ccc(Br)cc23)cc1O ZINC000811810770 725381132 /nfs/dbraw/zinc/38/11/32/725381132.db2.gz BFFKFQQPRRPILS-UHFFFAOYSA-N 1 1 359.223 3.485 20 10 FGCDMO Cn1c(=O)c(C[NH2+]Cc2cccc(Br)c2O)cc2ccccc21 ZINC000813790804 726914781 /nfs/dbraw/zinc/91/47/81/726914781.db2.gz YSIHSSPGNRLDNH-UHFFFAOYSA-N 1 1 373.250 3.296 20 10 FGCDMO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000814179401 726945333 /nfs/dbraw/zinc/94/53/33/726945333.db2.gz SVAFYXUORFHLQU-ZDUSSCGKSA-N 1 1 374.275 3.183 20 10 FGCDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000814179401 726945336 /nfs/dbraw/zinc/94/53/36/726945336.db2.gz SVAFYXUORFHLQU-ZDUSSCGKSA-N 1 1 374.275 3.183 20 10 FGCDMO O=C1OCCN1c1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816537424 727172853 /nfs/dbraw/zinc/17/28/53/727172853.db2.gz FHZZHSDQBPRPFK-UHFFFAOYSA-N 1 1 350.777 3.431 20 10 FGCDMO Cc1cc(Br)c(O)c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000816642129 727184061 /nfs/dbraw/zinc/18/40/61/727184061.db2.gz QBBYRGVOSMOZPQ-QGZVFWFLSA-N 1 1 353.304 3.381 20 10 FGCDMO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817961348 727289663 /nfs/dbraw/zinc/28/96/63/727289663.db2.gz XOOSBMJBBSZJQI-DOXZYTNZSA-N 1 1 351.922 3.345 20 10 FGCDMO CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cc(Br)ccc1[O-] ZINC000817973660 727290173 /nfs/dbraw/zinc/29/01/73/727290173.db2.gz FZQNBCBZDCNZQB-OAHLLOKOSA-N 1 1 371.319 3.212 20 10 FGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000819532428 727381366 /nfs/dbraw/zinc/38/13/66/727381366.db2.gz WJCQMXYQTXSOMT-JKSUJKDBSA-N 1 1 361.486 3.414 20 10 FGCDMO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1ccc(C(F)(F)F)cc1O ZINC000824515830 729344812 /nfs/dbraw/zinc/34/48/12/729344812.db2.gz IPFNQKRPJAZMRC-SWLSCSKDSA-N 1 1 353.344 3.073 20 10 FGCDMO C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(Br)cc3[O-])C2)CC1 ZINC000825928543 729399854 /nfs/dbraw/zinc/39/98/54/729399854.db2.gz YMTIMAGTLNELGS-AWEZNQCLSA-N 1 1 353.304 3.318 20 10 FGCDMO C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Br)cc3[O-])C2)CC1 ZINC000825928543 729399856 /nfs/dbraw/zinc/39/98/56/729399856.db2.gz YMTIMAGTLNELGS-AWEZNQCLSA-N 1 1 353.304 3.318 20 10 FGCDMO COc1cc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000826096788 729405164 /nfs/dbraw/zinc/40/51/64/729405164.db2.gz DDPHCQKDAQCFAP-BZNIZROVSA-N 1 1 361.404 3.443 20 10 FGCDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000826894372 729418247 /nfs/dbraw/zinc/41/82/47/729418247.db2.gz NGBPAMIGFBOQAY-OLZOCXBDSA-N 1 1 362.367 3.065 20 10 FGCDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000826894372 729418248 /nfs/dbraw/zinc/41/82/48/729418248.db2.gz NGBPAMIGFBOQAY-OLZOCXBDSA-N 1 1 362.367 3.065 20 10 FGCDMO O=C(CSC1CC1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095860 729424198 /nfs/dbraw/zinc/42/41/98/729424198.db2.gz MKZIIFOOVMVFHY-CQSZACIVSA-N 1 1 354.903 3.022 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CO)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827354194 729429272 /nfs/dbraw/zinc/42/92/72/729429272.db2.gz NHQXSZLTBGWUTO-HNNXBMFYSA-N 1 1 361.873 3.030 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CO)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000827354194 729429273 /nfs/dbraw/zinc/42/92/73/729429273.db2.gz NHQXSZLTBGWUTO-HNNXBMFYSA-N 1 1 361.873 3.030 20 10 FGCDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3O)CC2)cs1 ZINC000827930933 729437317 /nfs/dbraw/zinc/43/73/17/729437317.db2.gz VMBFXBCKYIJTHU-CYBMUJFWSA-N 1 1 359.495 3.247 20 10 FGCDMO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000828014058 729438488 /nfs/dbraw/zinc/43/84/88/729438488.db2.gz RZXBFWSPNRYWNY-UHFFFAOYSA-N 1 1 350.260 3.462 20 10 FGCDMO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000828014058 729438489 /nfs/dbraw/zinc/43/84/89/729438489.db2.gz RZXBFWSPNRYWNY-UHFFFAOYSA-N 1 1 350.260 3.462 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828754629 729447636 /nfs/dbraw/zinc/44/76/36/729447636.db2.gz BMTPKFXVHUVXKD-CABCVRRESA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828754629 729447637 /nfs/dbraw/zinc/44/76/37/729447637.db2.gz BMTPKFXVHUVXKD-CABCVRRESA-N 1 1 361.873 3.028 20 10 FGCDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000840957970 730197260 /nfs/dbraw/zinc/19/72/60/730197260.db2.gz NNYLZNXMTNQSIQ-KRWDZBQOSA-N 1 1 357.523 3.295 20 10 FGCDMO CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)NCc1cccs1 ZINC000843426224 730619263 /nfs/dbraw/zinc/61/92/63/730619263.db2.gz LVSPHAXKCSIAKL-AWEZNQCLSA-N 1 1 356.850 3.431 20 10 FGCDMO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(O)ccc2cc(Br)ccc21 ZINC000844742324 730760960 /nfs/dbraw/zinc/76/09/60/730760960.db2.gz UDRBXQZRAWWOSZ-OYMPBJRDSA-N 1 1 366.280 3.013 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)c1O ZINC000848551318 731180124 /nfs/dbraw/zinc/18/01/24/731180124.db2.gz JPKAYTQVFHVRCO-GXSJLCMTSA-N 1 1 366.259 3.095 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c1O ZINC000850499867 731364838 /nfs/dbraw/zinc/36/48/38/731364838.db2.gz ZEAVXPVHRLYPMS-VDDIYKPWSA-N 1 1 367.247 3.111 20 10 FGCDMO O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000852700493 731622258 /nfs/dbraw/zinc/62/22/58/731622258.db2.gz GQILIRNRZXRJIC-KRWDZBQOSA-N 1 1 359.857 3.119 20 10 FGCDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000862251028 732799323 /nfs/dbraw/zinc/79/93/23/732799323.db2.gz YXEHGMKGJSIIBV-CQSZACIVSA-N 1 1 353.304 3.318 20 10 FGCDMO CCOC(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Br)o1 ZINC000862367500 732817291 /nfs/dbraw/zinc/81/72/91/732817291.db2.gz KVOVDWUSDJEKDY-UHFFFAOYSA-N 1 1 354.200 3.214 20 10 FGCDMO C[N@H+](Cc1c(O)cccc1Br)C[C@@H](O)Cc1ccccc1 ZINC000862377288 732819599 /nfs/dbraw/zinc/81/95/99/732819599.db2.gz PBNPMTXXEXMDIW-AWEZNQCLSA-N 1 1 350.256 3.190 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1F ZINC000862395293 732823768 /nfs/dbraw/zinc/82/37/68/732823768.db2.gz ZIDQHVHHBJMESE-HNNXBMFYSA-N 1 1 351.441 3.008 20 10 FGCDMO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(C)cc(Br)c2O)C1 ZINC000862488485 732841200 /nfs/dbraw/zinc/84/12/00/732841200.db2.gz KVAOILBQDCRRLG-CYBMUJFWSA-N 1 1 354.244 3.205 20 10 FGCDMO C[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322271 732945019 /nfs/dbraw/zinc/94/50/19/732945019.db2.gz QQQLTWZOKAFCCH-BJHJDKERSA-N 1 1 363.255 3.004 20 10 FGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000865721079 733259801 /nfs/dbraw/zinc/25/98/01/733259801.db2.gz OEUFGYHVGPOTEW-UHFFFAOYSA-N 1 1 367.877 3.423 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877822732 736730748 /nfs/dbraw/zinc/73/07/48/736730748.db2.gz HTOJZRMEPANIOQ-PBHICJAKSA-N 1 1 358.404 3.065 20 10 FGCDMO COc1ccc(C[NH+]2CCN([C@H](C)c3ccsc3)CC2)c(O)c1OC ZINC000893619946 742178119 /nfs/dbraw/zinc/17/81/19/742178119.db2.gz DVGMXAUGNYSYFX-CQSZACIVSA-N 1 1 362.495 3.350 20 10 FGCDMO COc1ccc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c(O)c1OC ZINC000893619946 742178122 /nfs/dbraw/zinc/17/81/22/742178122.db2.gz DVGMXAUGNYSYFX-CQSZACIVSA-N 1 1 362.495 3.350 20 10 FGCDMO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc(Br)cc(F)c3O)C2)cn1 ZINC000894083045 742236482 /nfs/dbraw/zinc/23/64/82/742236482.db2.gz AWXLWLQRBMXBDB-NSHDSACASA-N 1 1 368.250 3.092 20 10 FGCDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc(Br)cc(F)c3O)C2)cn1 ZINC000894083045 742236483 /nfs/dbraw/zinc/23/64/83/742236483.db2.gz AWXLWLQRBMXBDB-NSHDSACASA-N 1 1 368.250 3.092 20 10 FGCDMO CCCC[N@H+](Cc1nc(Br)nn1C)Cc1ccccc1O ZINC000894679220 742317802 /nfs/dbraw/zinc/31/78/02/742317802.db2.gz LXKCRKWVUBLFGZ-UHFFFAOYSA-N 1 1 353.264 3.086 20 10 FGCDMO CCCC[N@@H+](Cc1nc(Br)nn1C)Cc1ccccc1O ZINC000894679220 742317811 /nfs/dbraw/zinc/31/78/11/742317811.db2.gz LXKCRKWVUBLFGZ-UHFFFAOYSA-N 1 1 353.264 3.086 20 10 FGCDMO OC1CCN(c2ccc(C[N@H+]3CC[C@@H](Cc4nccs4)C3)cc2)CC1 ZINC000898069617 742740963 /nfs/dbraw/zinc/74/09/63/742740963.db2.gz YEIRNIZKKFJVLK-KRWDZBQOSA-N 1 1 357.523 3.169 20 10 FGCDMO Fc1cc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)ccc1N1CCOCC1 ZINC000898070867 742741527 /nfs/dbraw/zinc/74/15/27/742741527.db2.gz AMEJUQMDHOKARB-INIZCTEOSA-N 1 1 361.486 3.183 20 10 FGCDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000933124231 761321063 /nfs/dbraw/zinc/32/10/63/761321063.db2.gz CJLGVUREHWTSHM-GOSISDBHSA-N 1 1 357.523 3.353 20 10 FGCDMO COC(=O)c1ccc([C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000091530986 494612494 /nfs/dbraw/zinc/61/24/94/494612494.db2.gz VXVUOGVVECXCRU-OAHLLOKOSA-N 1 1 358.438 3.096 20 10 FGCDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)n1 ZINC000091832132 494697895 /nfs/dbraw/zinc/69/78/95/494697895.db2.gz SPHDCDCBOIZTIU-LLVKDONJSA-N 1 1 352.232 3.226 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000179796470 495736355 /nfs/dbraw/zinc/73/63/55/495736355.db2.gz YUAIVONQNHQNKI-UHFFFAOYSA-N 1 1 369.303 3.153 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000179796470 495736359 /nfs/dbraw/zinc/73/63/59/495736359.db2.gz YUAIVONQNHQNKI-UHFFFAOYSA-N 1 1 369.303 3.153 20 10 FGCDMO CC(=O)N1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000182968338 495778966 /nfs/dbraw/zinc/77/89/66/495778966.db2.gz LULILCCSDXBYQF-UHFFFAOYSA-N 1 1 354.450 3.025 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000154968784 495787911 /nfs/dbraw/zinc/78/79/11/495787911.db2.gz RYUDJGLSBNDMIL-HXUWFJFHSA-N 1 1 360.523 3.408 20 10 FGCDMO COc1cc(O)c(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000160321698 495935038 /nfs/dbraw/zinc/93/50/38/495935038.db2.gz HGMTWHVSALUEGF-SFHVURJKSA-N 1 1 370.493 3.363 20 10 FGCDMO COc1cc(O)c(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000160321698 495935041 /nfs/dbraw/zinc/93/50/41/495935041.db2.gz HGMTWHVSALUEGF-SFHVURJKSA-N 1 1 370.493 3.363 20 10 FGCDMO COc1cc(O)c(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000160321698 495935046 /nfs/dbraw/zinc/93/50/46/495935046.db2.gz HGMTWHVSALUEGF-SFHVURJKSA-N 1 1 370.493 3.363 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000160321698 495935050 /nfs/dbraw/zinc/93/50/50/495935050.db2.gz HGMTWHVSALUEGF-SFHVURJKSA-N 1 1 370.493 3.363 20 10 FGCDMO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000186519987 496028878 /nfs/dbraw/zinc/02/88/78/496028878.db2.gz BWAUEVFOWSDREB-KSSFIOAISA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000186519987 496028883 /nfs/dbraw/zinc/02/88/83/496028883.db2.gz BWAUEVFOWSDREB-KSSFIOAISA-N 1 1 360.885 3.463 20 10 FGCDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180847815 496169478 /nfs/dbraw/zinc/16/94/78/496169478.db2.gz SEEHVKIYTIAPLD-LZTOIUFZSA-N 1 1 363.417 3.483 20 10 FGCDMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000162627377 496386246 /nfs/dbraw/zinc/38/62/46/496386246.db2.gz MLMSJOSSGNKRKT-UHFFFAOYSA-N 1 1 360.479 3.003 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000184685328 496492001 /nfs/dbraw/zinc/49/20/01/496492001.db2.gz PPEQFJGWHGUNEC-CYBMUJFWSA-N 1 1 354.878 3.038 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnccn1 ZINC000163401283 496510296 /nfs/dbraw/zinc/51/02/96/496510296.db2.gz BGWLEIRIEZJWQI-ZDUSSCGKSA-N 1 1 366.387 3.183 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](C)[C@H](OC)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278508376 497138601 /nfs/dbraw/zinc/13/86/01/497138601.db2.gz PGHCQJQDXMBBGI-DIFFPNOSSA-N 1 1 364.373 3.314 20 10 FGCDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000275827432 497441478 /nfs/dbraw/zinc/44/14/78/497441478.db2.gz HHFMNFAIKWKLEW-IJEWVQPXSA-N 1 1 358.461 3.389 20 10 FGCDMO CCCCCC(=O)NC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000267441943 497553859 /nfs/dbraw/zinc/55/38/59/497553859.db2.gz IDYYGOLLVBMXNO-UHFFFAOYSA-N 1 1 364.461 3.395 20 10 FGCDMO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1O ZINC000276937217 497692282 /nfs/dbraw/zinc/69/22/82/497692282.db2.gz NALAVKMQOQLWSZ-MRXNPFEDSA-N 1 1 373.453 3.405 20 10 FGCDMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c1O ZINC000276937217 497692287 /nfs/dbraw/zinc/69/22/87/497692287.db2.gz NALAVKMQOQLWSZ-MRXNPFEDSA-N 1 1 373.453 3.405 20 10 FGCDMO COc1cc(O)c(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1OC ZINC000285222238 498024959 /nfs/dbraw/zinc/02/49/59/498024959.db2.gz UYFUAIGMKBBMEB-CEXWTWQISA-N 1 1 369.461 3.414 20 10 FGCDMO CC[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)cc1O ZINC000286191349 498320069 /nfs/dbraw/zinc/32/00/69/498320069.db2.gz QWEMIXBQBSBBKW-KRWDZBQOSA-N 1 1 363.408 3.143 20 10 FGCDMO C[C@H]1C[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C[N@H+]1Cc1ccccc1 ZINC000361121838 498348737 /nfs/dbraw/zinc/34/87/37/498348737.db2.gz IKEPKILJCADSHE-GRWKNNQQSA-N 1 1 366.461 3.138 20 10 FGCDMO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000286942195 498562461 /nfs/dbraw/zinc/56/24/61/498562461.db2.gz GYIFEBJMPFNLIZ-VHSXEESVSA-N 1 1 352.283 3.174 20 10 FGCDMO C[NH+]1CCC(n2ccc(NCc3cc(Cl)cc(Cl)c3O)n2)CC1 ZINC000365954477 498710969 /nfs/dbraw/zinc/71/09/69/498710969.db2.gz LKYFKIMOVMLAOX-UHFFFAOYSA-N 1 1 355.269 3.196 20 10 FGCDMO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(Br)cc1O ZINC000282944127 498720595 /nfs/dbraw/zinc/72/05/95/498720595.db2.gz YYHCLHMUEHSYCH-SNVBAGLBSA-N 1 1 353.264 3.352 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000294584701 498738602 /nfs/dbraw/zinc/73/86/02/498738602.db2.gz QRVKHYVHCHFTRH-KRWDZBQOSA-N 1 1 364.536 3.003 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000294584701 498738608 /nfs/dbraw/zinc/73/86/08/498738608.db2.gz QRVKHYVHCHFTRH-KRWDZBQOSA-N 1 1 364.536 3.003 20 10 FGCDMO COC(=O)C[C@](C)([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccncc1 ZINC000294783040 498804028 /nfs/dbraw/zinc/80/40/28/498804028.db2.gz UPYGABAEYHKJMD-KRWDZBQOSA-N 1 1 352.793 3.148 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3C[C@@H](N4CCCC4)C[C@H]3C)cc2)CC1 ZINC000295272087 498962518 /nfs/dbraw/zinc/96/25/18/498962518.db2.gz JPWVSQURICNSQY-NQIIRXRSSA-N 1 1 357.542 3.360 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@@H](N4CCCC4)C[C@H]3C)cc2)CC1 ZINC000295272087 498962524 /nfs/dbraw/zinc/96/25/24/498962524.db2.gz JPWVSQURICNSQY-NQIIRXRSSA-N 1 1 357.542 3.360 20 10 FGCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000367319828 499180720 /nfs/dbraw/zinc/18/07/20/499180720.db2.gz XZADNSLAGNIRPR-RDJZCZTQSA-N 1 1 374.485 3.142 20 10 FGCDMO O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000370365874 499213461 /nfs/dbraw/zinc/21/34/61/499213461.db2.gz HRDCKIIHZZBKHE-MRXNPFEDSA-N 1 1 369.465 3.221 20 10 FGCDMO CC[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1)c1ccc(F)cc1O ZINC000367614356 499217766 /nfs/dbraw/zinc/21/77/66/499217766.db2.gz GTTQBTNHCDSIIY-WNYOCNMUSA-N 1 1 360.477 3.389 20 10 FGCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCCN(C(=O)c2scnc2C)CC1 ZINC000368021592 499256179 /nfs/dbraw/zinc/25/61/79/499256179.db2.gz ZHIDNZLMEUWFSC-INIZCTEOSA-N 1 1 359.495 3.456 20 10 FGCDMO C[C@H]([NH2+]C1CCN(C(=O)c2cccc(O)c2)CC1)c1ccc(F)cc1O ZINC000368333595 499286405 /nfs/dbraw/zinc/28/64/05/499286405.db2.gz RSMPPGHVLDOWCZ-ZDUSSCGKSA-N 1 1 358.413 3.192 20 10 FGCDMO Oc1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000369517942 499411579 /nfs/dbraw/zinc/41/15/79/499411579.db2.gz IKFPZHMVRLPDCA-DYESRHJHSA-N 1 1 362.433 3.391 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](OCc3csc(C)n3)C2)c1O ZINC000372283471 499416375 /nfs/dbraw/zinc/41/63/75/499416375.db2.gz SVQFHWXXWOKAGT-INIZCTEOSA-N 1 1 364.442 3.290 20 10 FGCDMO CC[C@H]([NH2+]CC(=O)N[C@H]1CCOc2ccccc21)c1ccc(F)cc1O ZINC000375803672 499557261 /nfs/dbraw/zinc/55/72/61/499557261.db2.gz DVPZIPGFBWICJG-IRXDYDNUSA-N 1 1 358.413 3.212 20 10 FGCDMO CC[C@@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(F)cc1O ZINC000375836507 499560554 /nfs/dbraw/zinc/56/05/54/499560554.db2.gz CSAAAAYOPFXIFX-ZWNOBZJWSA-N 1 1 372.366 3.488 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCn2cccc2)C1 ZINC000444242629 500822920 /nfs/dbraw/zinc/82/29/20/500822920.db2.gz HHFOCAWPLXGZQV-UHFFFAOYSA-N 1 1 364.493 3.026 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cccn2C)C1 ZINC000435811585 501032612 /nfs/dbraw/zinc/03/26/12/501032612.db2.gz XPMCNVOAIAEJLJ-UHFFFAOYSA-N 1 1 364.493 3.063 20 10 FGCDMO CC[C@@H]1OCC[C@H]1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000458301721 501416160 /nfs/dbraw/zinc/41/61/60/501416160.db2.gz YAXLNCPJCYBCML-NQIIRXRSSA-N 1 1 369.509 3.092 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)CC[C@H]3C)ccc21 ZINC000498708901 503244039 /nfs/dbraw/zinc/24/40/39/503244039.db2.gz XQXZCZFXVFUNHV-OAHLLOKOSA-N 1 1 357.498 3.071 20 10 FGCDMO CC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(C)(C)O ZINC000512803459 503635344 /nfs/dbraw/zinc/63/53/44/503635344.db2.gz WQIHWXAZYUJCNJ-FQEVSTJZSA-N 1 1 371.525 3.074 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000527742333 503923502 /nfs/dbraw/zinc/92/35/02/503923502.db2.gz JXMXBAFXQFSXRS-LLVKDONJSA-N 1 1 364.165 3.244 20 10 FGCDMO Cc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cn2cc[nH+]c12 ZINC000562619387 504882815 /nfs/dbraw/zinc/88/28/15/504882815.db2.gz QUWVLUHHXJQDAL-UHFFFAOYSA-N 1 1 351.410 3.140 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CSC[C@@H]2C)C1 ZINC000552669029 505530209 /nfs/dbraw/zinc/53/02/09/505530209.db2.gz YMXRNNXEBDTTFF-YJBOKZPZSA-N 1 1 371.550 3.276 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000821589350 607004825 /nfs/dbraw/zinc/00/48/25/607004825.db2.gz KKCVXAMDMJVGJA-UHFFFAOYSA-N 1 1 366.444 3.236 20 10 FGCDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N(C)C)c(F)c1 ZINC000824293393 608531633 /nfs/dbraw/zinc/53/16/33/608531633.db2.gz KBHFGABTBHCVTG-UHFFFAOYSA-N 1 1 368.460 3.482 20 10 FGCDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(Br)ccc1O ZINC000076118535 700224672 /nfs/dbraw/zinc/22/46/72/700224672.db2.gz PJRJJEDUPZWSCS-UHFFFAOYSA-N 1 1 363.255 3.276 20 10 FGCDMO COC[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)c1ccco1 ZINC000080239574 700312731 /nfs/dbraw/zinc/31/27/31/700312731.db2.gz XOPHSJSBEQACHQ-LBPRGKRZSA-N 1 1 356.216 3.234 20 10 FGCDMO COc1cccc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000091935319 700429039 /nfs/dbraw/zinc/42/90/39/700429039.db2.gz OAPWCAQUUWEYLR-UHFFFAOYSA-N 1 1 350.459 3.232 20 10 FGCDMO CCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCCCO1 ZINC000093132414 700447158 /nfs/dbraw/zinc/44/71/58/700447158.db2.gz ROMRLCLADREWJV-GOSISDBHSA-N 1 1 350.478 3.443 20 10 FGCDMO COc1cccc2c1OC[C@H]([NH2+]Cc1cccc(Br)c1O)C2 ZINC000102939300 700480069 /nfs/dbraw/zinc/48/00/69/700480069.db2.gz HNIQAVCAQTWVHB-CYBMUJFWSA-N 1 1 364.239 3.257 20 10 FGCDMO COc1ccc(N2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)cc1F ZINC000122100463 700684615 /nfs/dbraw/zinc/68/46/15/700684615.db2.gz XPYQCFKQAGDINZ-SFHVURJKSA-N 1 1 364.848 3.343 20 10 FGCDMO COCCO[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000802652082 724397492 /nfs/dbraw/zinc/39/74/92/724397492.db2.gz KQHUUTWOYLVCNP-OAHLLOKOSA-N 1 1 358.276 3.091 20 10 FGCDMO Cc1ccc(O)c(C[NH+]2CCN(C(=O)c3cc4occc4s3)CC2)c1 ZINC000769471751 723686706 /nfs/dbraw/zinc/68/67/06/723686706.db2.gz CWECGCGQGKHSOF-UHFFFAOYSA-N 1 1 356.447 3.466 20 10 FGCDMO COc1cccc(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000770389434 723712775 /nfs/dbraw/zinc/71/27/75/723712775.db2.gz WIEKWXWRTIRSKI-KGLIPLIRSA-N 1 1 350.459 3.136 20 10 FGCDMO Oc1ccc(Br)cc1CNc1cc[nH+]cc1Br ZINC000804827799 724554326 /nfs/dbraw/zinc/55/43/26/724554326.db2.gz QKZBXVAXVNNPLK-UHFFFAOYSA-N 1 1 358.033 3.346 20 10 FGCDMO Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000781628804 724580042 /nfs/dbraw/zinc/58/00/42/724580042.db2.gz AGMOSJGDXFKLOM-LBPRGKRZSA-N 1 1 352.276 3.394 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722409459 722420363 /nfs/dbraw/zinc/42/03/63/722420363.db2.gz ONVWYVOQXHVOPZ-ONGXEEELSA-N 1 1 354.166 3.354 20 10 FGCDMO O=[N+]([O-])c1ncccc1N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000732048903 722481011 /nfs/dbraw/zinc/48/10/11/722481011.db2.gz LLWXWBBADVFXNR-CQSZACIVSA-N 1 1 362.817 3.425 20 10 FGCDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1=CC(=O)CS1 ZINC000753502105 722901770 /nfs/dbraw/zinc/90/17/70/722901770.db2.gz BLVQANMKRRHGJR-BPQIPLTHSA-N 1 1 356.491 3.484 20 10 FGCDMO COc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000754735845 722945124 /nfs/dbraw/zinc/94/51/24/722945124.db2.gz DOAURCHABDZCBG-OAHLLOKOSA-N 1 1 350.459 3.150 20 10 FGCDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754742661 722945174 /nfs/dbraw/zinc/94/51/74/722945174.db2.gz WJBPJCSJBMXOQI-AWEZNQCLSA-N 1 1 367.511 3.179 20 10 FGCDMO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc(Br)c(F)cc1O ZINC000756587578 722967256 /nfs/dbraw/zinc/96/72/56/722967256.db2.gz BKTBWDQSYLVBOH-GWNMQOMSSA-N 1 1 366.296 3.492 20 10 FGCDMO CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000757673323 722978183 /nfs/dbraw/zinc/97/81/83/722978183.db2.gz CHGNZJAWRGVNRF-CYBMUJFWSA-N 1 1 359.308 3.164 20 10 FGCDMO C[C@H](CNC(=O)NCCCSc1nccs1)[N@H+]1CCCC[C@H]1C ZINC000759560314 723009019 /nfs/dbraw/zinc/00/90/19/723009019.db2.gz FJEPIAYSUOSMTB-ZIAGYGMSSA-N 1 1 356.561 3.187 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000761191851 723131639 /nfs/dbraw/zinc/13/16/39/723131639.db2.gz XYZHQGWZCVSTHR-AWEZNQCLSA-N 1 1 370.877 3.495 20 10 FGCDMO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)c1O ZINC000790751283 723173589 /nfs/dbraw/zinc/17/35/89/723173589.db2.gz VUWSVLCWWADIRL-VHSXEESVSA-N 1 1 366.263 3.196 20 10 FGCDMO CCc1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000763379688 723338936 /nfs/dbraw/zinc/33/89/36/723338936.db2.gz DLEOCIXGEVHJDC-MRXNPFEDSA-N 1 1 353.528 3.261 20 10 FGCDMO CCc1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000763379688 723338940 /nfs/dbraw/zinc/33/89/40/723338940.db2.gz DLEOCIXGEVHJDC-MRXNPFEDSA-N 1 1 353.528 3.261 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c(C(F)(F)F)c1 ZINC000792790993 723367968 /nfs/dbraw/zinc/36/79/68/723367968.db2.gz WBZASJGCTLXVSV-MRXNPFEDSA-N 1 1 355.404 3.014 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c(C(F)(F)F)c1 ZINC000792790993 723367969 /nfs/dbraw/zinc/36/79/69/723367969.db2.gz WBZASJGCTLXVSV-MRXNPFEDSA-N 1 1 355.404 3.014 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c(C(F)(F)F)c1 ZINC000792812877 723370199 /nfs/dbraw/zinc/37/01/99/723370199.db2.gz VWJSKVVKPJBRPM-CQSZACIVSA-N 1 1 358.404 3.356 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000792827511 723372417 /nfs/dbraw/zinc/37/24/17/723372417.db2.gz DUJKRNJPVHYNJO-ZDUSSCGKSA-N 1 1 356.310 3.271 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000792827511 723372421 /nfs/dbraw/zinc/37/24/21/723372421.db2.gz DUJKRNJPVHYNJO-ZDUSSCGKSA-N 1 1 356.310 3.271 20 10 FGCDMO COc1ccc(N2CC[NH+](CCNc3ncc(Cl)s3)CC2)cc1 ZINC000765021686 723470219 /nfs/dbraw/zinc/47/02/19/723470219.db2.gz UCPZVUMADPWYNA-UHFFFAOYSA-N 1 1 352.891 3.039 20 10 FGCDMO C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766384016 723571440 /nfs/dbraw/zinc/57/14/40/723571440.db2.gz VKRQBSLQUXUWIG-HZPDHXFCSA-N 1 1 351.922 3.169 20 10 FGCDMO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766384016 723571444 /nfs/dbraw/zinc/57/14/44/723571444.db2.gz VKRQBSLQUXUWIG-HZPDHXFCSA-N 1 1 351.922 3.169 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000768246164 723651726 /nfs/dbraw/zinc/65/17/26/723651726.db2.gz GXBALUFNIUEOGC-UHFFFAOYSA-N 1 1 351.466 3.335 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000768246164 723651727 /nfs/dbraw/zinc/65/17/27/723651727.db2.gz GXBALUFNIUEOGC-UHFFFAOYSA-N 1 1 351.466 3.335 20 10 FGCDMO COc1cc(O)c(C[N@H+](C)CC(=O)Nc2ccccc2Cl)cc1OC ZINC000768437810 723657449 /nfs/dbraw/zinc/65/74/49/723657449.db2.gz IXZUBLRADXYYIV-UHFFFAOYSA-N 1 1 364.829 3.133 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)cc1OC ZINC000768437810 723657450 /nfs/dbraw/zinc/65/74/50/723657450.db2.gz IXZUBLRADXYYIV-UHFFFAOYSA-N 1 1 364.829 3.133 20 10 FGCDMO O=C(COC1CCCC1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768912014 723672016 /nfs/dbraw/zinc/67/20/16/723672016.db2.gz LNRXSPSOLYXRPX-MRXNPFEDSA-N 1 1 366.889 3.085 20 10 FGCDMO CCOc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000769149260 723678058 /nfs/dbraw/zinc/67/80/58/723678058.db2.gz ZSXYVWZFWNZHSV-AWEZNQCLSA-N 1 1 350.459 3.232 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000769149260 723678060 /nfs/dbraw/zinc/67/80/60/723678060.db2.gz ZSXYVWZFWNZHSV-AWEZNQCLSA-N 1 1 350.459 3.232 20 10 FGCDMO C[C@H]1CN=C(N2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)S1 ZINC000769488870 723687144 /nfs/dbraw/zinc/68/71/44/723687144.db2.gz SEBLGCRJQLUTBL-KRWDZBQOSA-N 1 1 358.555 3.286 20 10 FGCDMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccccc3O)CC2)cs1 ZINC000770506188 723715255 /nfs/dbraw/zinc/71/52/55/723715255.db2.gz XOTMPYNTQWSVQH-HNNXBMFYSA-N 1 1 361.511 3.264 20 10 FGCDMO CO[C@H](C)c1nc(CN2CCC[N@@H+](Cc3ccccc3O)CC2)cs1 ZINC000770506189 723715334 /nfs/dbraw/zinc/71/53/34/723715334.db2.gz XOTMPYNTQWSVQH-OAHLLOKOSA-N 1 1 361.511 3.264 20 10 FGCDMO COc1ccc(N2CCC[N@@H+](Cc3cn(C)nc3C(F)F)CC2)cc1 ZINC000770648584 723718268 /nfs/dbraw/zinc/71/82/68/723718268.db2.gz SGGRZHOUEBQQEP-UHFFFAOYSA-N 1 1 350.413 3.079 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000775739069 724035895 /nfs/dbraw/zinc/03/58/95/724035895.db2.gz CBAMVMSVSBPKEY-UKRRQHHQSA-N 1 1 350.459 3.278 20 10 FGCDMO COc1cccc(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000775968250 724090508 /nfs/dbraw/zinc/09/05/08/724090508.db2.gz IDXUGRCTGNZOJP-ZIAGYGMSSA-N 1 1 350.459 3.231 20 10 FGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@H]1C(F)F ZINC000801174466 724274479 /nfs/dbraw/zinc/27/44/79/724274479.db2.gz ONFIZHLBSBFGAP-RDBSUJKOSA-N 1 1 358.816 3.027 20 10 FGCDMO Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(C)cc(Br)c2O)c1 ZINC000786162957 724964464 /nfs/dbraw/zinc/96/44/64/724964464.db2.gz MOZWLGYGVFOKOP-MRXNPFEDSA-N 1 1 364.283 3.465 20 10 FGCDMO CC1(C)CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000787449140 725028713 /nfs/dbraw/zinc/02/87/13/725028713.db2.gz JFHSOVVUBALPFF-DOTOQJQBSA-N 1 1 366.889 3.084 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@@H](O)C[C@@H]3C)c2C)c1 ZINC000788276256 725054370 /nfs/dbraw/zinc/05/43/70/725054370.db2.gz USEYPLDNCNKATF-GUYCJALGSA-N 1 1 358.507 3.454 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3C[C@@H](O)C[C@@H]3C)c2C)c1 ZINC000788276256 725054374 /nfs/dbraw/zinc/05/43/74/725054374.db2.gz USEYPLDNCNKATF-GUYCJALGSA-N 1 1 358.507 3.454 20 10 FGCDMO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1O ZINC000788631337 725077289 /nfs/dbraw/zinc/07/72/89/725077289.db2.gz LUVXTXIZUNWAIO-LBPRGKRZSA-N 1 1 352.356 3.492 20 10 FGCDMO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cccc(C(F)(F)F)c1O ZINC000788808834 725089176 /nfs/dbraw/zinc/08/91/76/725089176.db2.gz ZPDPDAMVERYAFB-SNVBAGLBSA-N 1 1 351.390 3.029 20 10 FGCDMO COc1ccc(C[NH2+]Cc2nc3ccccn3c2Br)c(O)c1 ZINC000809658194 725256999 /nfs/dbraw/zinc/25/69/99/725256999.db2.gz GWODWFBQSKCBPH-UHFFFAOYSA-N 1 1 362.227 3.101 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)c1O ZINC000811511680 725371478 /nfs/dbraw/zinc/37/14/78/725371478.db2.gz QPXCUHWWXADDFC-HNNXBMFYSA-N 1 1 368.861 3.297 20 10 FGCDMO Oc1ccc(Cl)c(F)c1CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000812778937 726810536 /nfs/dbraw/zinc/81/05/36/726810536.db2.gz ROJCEXDTXMQBNX-AWEZNQCLSA-N 1 1 350.821 3.363 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1O ZINC000812883718 726820396 /nfs/dbraw/zinc/82/03/96/726820396.db2.gz YCXSXNLRMOTZLI-HXUWFJFHSA-N 1 1 359.853 3.384 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1O ZINC000812883718 726820401 /nfs/dbraw/zinc/82/04/01/726820401.db2.gz YCXSXNLRMOTZLI-HXUWFJFHSA-N 1 1 359.853 3.384 20 10 FGCDMO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1O ZINC000815600109 727085631 /nfs/dbraw/zinc/08/56/31/727085631.db2.gz LSBAOHYANZYJMU-NSHDSACASA-N 1 1 365.417 3.277 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C1(S(C)(=O)=O)CC1 ZINC000815625651 727087220 /nfs/dbraw/zinc/08/72/20/727087220.db2.gz JLVSAQRDMUHOAK-VHSXEESVSA-N 1 1 351.390 3.027 20 10 FGCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(NS(C)(=O)=O)c1 ZINC000816541153 727173454 /nfs/dbraw/zinc/17/34/54/727173454.db2.gz DQOYHEYKXCSLEE-SNVBAGLBSA-N 1 1 372.849 3.407 20 10 FGCDMO Cc1cc(Br)c(O)c(CN2CC[N@H+](C3CC3)C[C@H](C)C2)c1 ZINC000824445721 729339166 /nfs/dbraw/zinc/33/91/66/729339166.db2.gz LNVFAGUZFXGCKU-CYBMUJFWSA-N 1 1 353.304 3.379 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000824845541 729361754 /nfs/dbraw/zinc/36/17/54/729361754.db2.gz LZBSFRKOLJTLPD-HOCLYGCPSA-N 1 1 354.288 3.350 20 10 FGCDMO C[N@H+](Cc1cc(F)ccc1O)C[C@@H](O)c1ccccc1Br ZINC000825305680 729378086 /nfs/dbraw/zinc/37/80/86/729378086.db2.gz PSQYFVLFGHQBLY-MRXNPFEDSA-N 1 1 354.219 3.459 20 10 FGCDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C1=CC(=O)CS1 ZINC000831221434 729626335 /nfs/dbraw/zinc/62/63/35/729626335.db2.gz YVALLZLSFPJWBV-OAHLLOKOSA-N 1 1 360.479 3.286 20 10 FGCDMO CCCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000835024923 729850272 /nfs/dbraw/zinc/85/02/72/729850272.db2.gz DPZVWCGDIYGLSC-LIXSYLKWSA-N 1 1 350.528 3.055 20 10 FGCDMO CCCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000835024923 729850274 /nfs/dbraw/zinc/85/02/74/729850274.db2.gz DPZVWCGDIYGLSC-LIXSYLKWSA-N 1 1 350.528 3.055 20 10 FGCDMO Cc1cc(O)c(CNCC2([NH+]3CCCCC3)CCOCC2)c(Cl)c1 ZINC000840897967 730189229 /nfs/dbraw/zinc/18/92/29/730189229.db2.gz WKPPBWSYZRSCEJ-UHFFFAOYSA-N 1 1 352.906 3.479 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000841087438 730209107 /nfs/dbraw/zinc/20/91/07/730209107.db2.gz NMTMPLFWHSLBOU-XJKSGUPXSA-N 1 1 353.304 3.427 20 10 FGCDMO NC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000841102884 730211762 /nfs/dbraw/zinc/21/17/62/730211762.db2.gz AXKGCGPLTOYPQN-UHFFFAOYSA-N 1 1 359.901 3.129 20 10 FGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c1O ZINC000843429682 730620285 /nfs/dbraw/zinc/62/02/85/730620285.db2.gz ZNRSLIZPWSSLHF-MRXNPFEDSA-N 1 1 358.869 3.492 20 10 FGCDMO COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cc2cc(C)[nH]n2)c1O ZINC000848535046 731177097 /nfs/dbraw/zinc/17/70/97/731177097.db2.gz CLHYFNGJGFEOMP-MWLCHTKSSA-N 1 1 368.275 3.477 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1 ZINC000850400370 731352771 /nfs/dbraw/zinc/35/27/71/731352771.db2.gz GXYWFVGNNXCGRP-KRWDZBQOSA-N 1 1 372.303 3.120 20 10 FGCDMO COc1ncc(Br)cc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000858249718 732196962 /nfs/dbraw/zinc/19/69/62/732196962.db2.gz UZBPOJJPVOFCJX-UHFFFAOYSA-N 1 1 368.250 3.348 20 10 FGCDMO [O-]c1cccc(Br)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000862221375 732788217 /nfs/dbraw/zinc/78/82/17/732788217.db2.gz ZQMFZWIHMXVZPH-UHFFFAOYSA-N 1 1 353.304 3.463 20 10 FGCDMO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1c(O)cccc1Br ZINC000862250628 732798619 /nfs/dbraw/zinc/79/86/19/732798619.db2.gz MUMNPQHLHPRXHP-AWEZNQCLSA-N 1 1 350.260 3.398 20 10 FGCDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1c(O)cccc1Br ZINC000862250628 732798621 /nfs/dbraw/zinc/79/86/21/732798621.db2.gz MUMNPQHLHPRXHP-AWEZNQCLSA-N 1 1 350.260 3.398 20 10 FGCDMO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000862348912 732812993 /nfs/dbraw/zinc/81/29/93/732812993.db2.gz YMNNOJIUOHFBOW-ZANVPECISA-N 1 1 368.193 3.290 20 10 FGCDMO C[N@H+](Cc1c(O)cccc1Br)C[C@H](O)Cc1ccccc1 ZINC000862377290 732819756 /nfs/dbraw/zinc/81/97/56/732819756.db2.gz PBNPMTXXEXMDIW-CQSZACIVSA-N 1 1 350.256 3.190 20 10 FGCDMO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1O ZINC000862526567 732843353 /nfs/dbraw/zinc/84/33/53/732843353.db2.gz XHBCOMCKGHGAKT-UHFFFAOYSA-N 1 1 358.866 3.019 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000872258818 735610743 /nfs/dbraw/zinc/61/07/43/735610743.db2.gz BPRDKEHAXMHGFJ-HNNXBMFYSA-N 1 1 350.415 3.233 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@H](OC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000872258818 735610744 /nfs/dbraw/zinc/61/07/44/735610744.db2.gz BPRDKEHAXMHGFJ-HNNXBMFYSA-N 1 1 350.415 3.233 20 10 FGCDMO COCCc1ncc(C[NH2+]Cc2cccc(Br)c2O)s1 ZINC000877479056 736225355 /nfs/dbraw/zinc/22/53/55/736225355.db2.gz QUQNAYAIJCDWCQ-UHFFFAOYSA-N 1 1 357.273 3.090 20 10 FGCDMO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)Cc3cccnc3N2C1 ZINC000877687899 736705195 /nfs/dbraw/zinc/70/51/95/736705195.db2.gz NFAMACDFUJXEJN-HUUCEWRRSA-N 1 1 359.857 3.050 20 10 FGCDMO C[C@@](CO)([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc([N+](=O)[O-])c1 ZINC000877691426 736706274 /nfs/dbraw/zinc/70/62/74/736706274.db2.gz LBESIKOSNLTBRO-INIZCTEOSA-N 1 1 354.765 3.090 20 10 FGCDMO Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883017616 737512029 /nfs/dbraw/zinc/51/20/29/737512029.db2.gz SRTZSAQJGFQRKQ-UHFFFAOYSA-N 1 1 356.239 3.369 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1c(O)cccc1F ZINC000886646973 739278615 /nfs/dbraw/zinc/27/86/15/739278615.db2.gz ZLVQQAGYEHLKOF-CHWSQXEVSA-N 1 1 351.443 3.389 20 10 FGCDMO CCOc1ccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)o1 ZINC000894842983 742341820 /nfs/dbraw/zinc/34/18/20/742341820.db2.gz FTCSIXRPISTRNM-UHFFFAOYSA-N 1 1 352.381 3.083 20 10 FGCDMO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000896499424 742559593 /nfs/dbraw/zinc/55/95/93/742559593.db2.gz OHLUULWJSOWMPU-UHFFFAOYSA-N 1 1 360.479 3.403 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1c(O)cccc1F ZINC000903477525 743854555 /nfs/dbraw/zinc/85/45/55/743854555.db2.gz AMCVFXYNABVTCN-UWVGGRQHSA-N 1 1 354.223 3.156 20 10 FGCDMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000922389223 758910441 /nfs/dbraw/zinc/91/04/41/758910441.db2.gz SIGXTKAONBNISJ-XYVMCAHJSA-N 1 1 373.324 3.268 20 10 FGCDMO C[NH+](C)CC[C@@H](NCc1cccc(Br)c1O)c1cccnc1 ZINC000922632773 758966057 /nfs/dbraw/zinc/96/60/57/758966057.db2.gz VLRWSHJNVGNPKS-MRXNPFEDSA-N 1 1 364.287 3.332 20 10 FGCDMO C[C@H]([NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc(F)cc1O ZINC000926989034 759869570 /nfs/dbraw/zinc/86/95/70/759869570.db2.gz QUCWOQYOQFLBLR-VCOSZWKGSA-N 1 1 350.434 3.295 20 10 FGCDMO Oc1ccccc1C[N@@H+](CCOC1CCSCC1)C[C@@H]1CCCO1 ZINC000929970894 760503715 /nfs/dbraw/zinc/50/37/15/760503715.db2.gz LPEQAUKHNITINW-SFHVURJKSA-N 1 1 351.512 3.285 20 10 FGCDMO Cc1csc(N2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000092481766 494640235 /nfs/dbraw/zinc/64/02/35/494640235.db2.gz OUFATAPGQJRUKX-UHFFFAOYSA-N 1 1 372.538 3.000 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000093385922 494883073 /nfs/dbraw/zinc/88/30/73/494883073.db2.gz HQNMKYJUKZTCTL-UHFFFAOYSA-N 1 1 360.479 3.201 20 10 FGCDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc2c(cc1O)OCO2 ZINC000093660511 494909586 /nfs/dbraw/zinc/90/95/86/494909586.db2.gz RTAUBXIFFBPYSM-UHFFFAOYSA-N 1 1 356.422 3.198 20 10 FGCDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc2c(cc1O)OCO2 ZINC000093660511 494909590 /nfs/dbraw/zinc/90/95/90/494909590.db2.gz RTAUBXIFFBPYSM-UHFFFAOYSA-N 1 1 356.422 3.198 20 10 FGCDMO C[C@H](c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1)[NH+]1CCOCC1 ZINC000118030914 494971627 /nfs/dbraw/zinc/97/16/27/494971627.db2.gz MLVKMGGAFOFTFO-MRXNPFEDSA-N 1 1 369.465 3.449 20 10 FGCDMO COc1ccc(N2CCC[N@@H+](Cc3cc4ccccc4[nH]c3=O)CC2)cc1 ZINC000111204436 495049294 /nfs/dbraw/zinc/04/92/94/495049294.db2.gz QESYTOGVMOHYIV-UHFFFAOYSA-N 1 1 363.461 3.249 20 10 FGCDMO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111236320 495052979 /nfs/dbraw/zinc/05/29/79/495052979.db2.gz JDVBPZVFGSETLX-UHFFFAOYSA-N 1 1 364.392 3.084 20 10 FGCDMO Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1O ZINC000179527092 495629149 /nfs/dbraw/zinc/62/91/49/495629149.db2.gz FVAPPEBYRLRCHS-QGZVFWFLSA-N 1 1 354.450 3.000 20 10 FGCDMO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(N2CCOCC2)c(F)c1 ZINC000159411569 495727504 /nfs/dbraw/zinc/72/75/04/495727504.db2.gz IUAUNSMSECMPJV-HNNXBMFYSA-N 1 1 354.429 3.161 20 10 FGCDMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000186587758 496059142 /nfs/dbraw/zinc/05/91/42/496059142.db2.gz QSDSJWDAMNNVKP-WOJBJXKFSA-N 1 1 358.574 3.354 20 10 FGCDMO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000184342018 496342982 /nfs/dbraw/zinc/34/29/82/496342982.db2.gz VFIFNVOSOIEBST-QGZVFWFLSA-N 1 1 360.527 3.217 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2OCC(F)F)c1 ZINC000273459325 496812069 /nfs/dbraw/zinc/81/20/69/496812069.db2.gz HVLCNAGGRYKDPR-LLVKDONJSA-N 1 1 366.364 3.069 20 10 FGCDMO CCOc1cc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)ccc1OC ZINC000273464284 496813971 /nfs/dbraw/zinc/81/39/71/496813971.db2.gz DLFYIXCVGMIGGK-ZDUSSCGKSA-N 1 1 359.422 3.437 20 10 FGCDMO COc1cc(O)c(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1OC ZINC000271717693 497427516 /nfs/dbraw/zinc/42/75/16/497427516.db2.gz CLSUGRPLUKGAGO-QGZVFWFLSA-N 1 1 373.449 3.296 20 10 FGCDMO COCC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)Cc1ccccn1 ZINC000296032272 497897881 /nfs/dbraw/zinc/89/78/81/497897881.db2.gz SBLDEBKPAGDJBR-UHFFFAOYSA-N 1 1 369.509 3.345 20 10 FGCDMO Cc1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@H](C)S(C)(=O)=O)cc1 ZINC000280801289 497903631 /nfs/dbraw/zinc/90/36/31/497903631.db2.gz SHNWREKJZVZZLQ-MGPUTAFESA-N 1 1 359.491 3.194 20 10 FGCDMO CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C2 ZINC000364387774 497933968 /nfs/dbraw/zinc/93/39/68/497933968.db2.gz QVQIMXYTVVQMSL-MRXNPFEDSA-N 1 1 354.498 3.363 20 10 FGCDMO COc1ccc(O)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000364449500 497962540 /nfs/dbraw/zinc/96/25/40/497962540.db2.gz USZVCQTVQUGHAJ-PHZGNYQRSA-N 1 1 362.470 3.421 20 10 FGCDMO CC[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(F)cc1O ZINC000285478364 498100028 /nfs/dbraw/zinc/10/00/28/498100028.db2.gz BGLWHHCIBSWRIS-KSSFIOAISA-N 1 1 359.445 3.392 20 10 FGCDMO CC[C@@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(F)cc1O ZINC000285478360 498100408 /nfs/dbraw/zinc/10/04/08/498100408.db2.gz BGLWHHCIBSWRIS-KBXCAEBGSA-N 1 1 359.445 3.392 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000360345162 498268004 /nfs/dbraw/zinc/26/80/04/498268004.db2.gz PSAUNFGKSUZTNI-HNNXBMFYSA-N 1 1 352.862 3.031 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1OC ZINC000361761924 498428193 /nfs/dbraw/zinc/42/81/93/498428193.db2.gz GDGSNEISWFRAMI-MRXNPFEDSA-N 1 1 353.422 3.206 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)cc1F ZINC000295079838 498901644 /nfs/dbraw/zinc/90/16/44/498901644.db2.gz QFCBYDWHKCMHOM-GOSISDBHSA-N 1 1 362.493 3.255 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)c1 ZINC000367357788 499187750 /nfs/dbraw/zinc/18/77/50/499187750.db2.gz YGBFXSLIFDFXMS-OAHLLOKOSA-N 1 1 370.497 3.469 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3cnc([C@@H](C)O)s3)CC2)cc1 ZINC000368016730 499255228 /nfs/dbraw/zinc/25/52/28/499255228.db2.gz LDDLMHLUZICLEL-CQSZACIVSA-N 1 1 361.511 3.306 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](n3ccnc3C(C)C)C2)ccc1[N+](=O)[O-] ZINC000373207994 499457453 /nfs/dbraw/zinc/45/74/53/499457453.db2.gz FXKWPBMHNLUEBY-OAHLLOKOSA-N 1 1 374.441 3.466 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H](n3ccnc3C(C)C)C2)ccc1[N+](=O)[O-] ZINC000373207994 499457454 /nfs/dbraw/zinc/45/74/54/499457454.db2.gz FXKWPBMHNLUEBY-OAHLLOKOSA-N 1 1 374.441 3.466 20 10 FGCDMO COCc1nccc([C@H]2CCC[N@H+]([C@H](C)c3cc(OC)ccc3O)C2)n1 ZINC000373609416 499479824 /nfs/dbraw/zinc/47/98/24/499479824.db2.gz NZXIYBUFECDJRM-CABCVRRESA-N 1 1 357.454 3.278 20 10 FGCDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000378378357 499509085 /nfs/dbraw/zinc/50/90/85/499509085.db2.gz PQMLICYMUHAFDA-FGZHOGPDSA-N 1 1 368.525 3.499 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1O ZINC000377251340 499673925 /nfs/dbraw/zinc/67/39/25/499673925.db2.gz QCXSXDATJIWVRC-ZDUSSCGKSA-N 1 1 370.287 3.412 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CS[C@H](C)C2)C1 ZINC000412614890 499869267 /nfs/dbraw/zinc/86/92/67/499869267.db2.gz QVQVXQLFZXFYAT-CVEARBPZSA-N 1 1 371.550 3.418 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCS2)C1 ZINC000435820176 501033294 /nfs/dbraw/zinc/03/32/94/501033294.db2.gz ZXGZQWAVOULWHY-MRXNPFEDSA-N 1 1 371.550 3.420 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000471811921 502143561 /nfs/dbraw/zinc/14/35/61/502143561.db2.gz TUYULTZRACHDFR-QGZVFWFLSA-N 1 1 356.514 3.406 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2CC=CC2)C1 ZINC000529710991 503669715 /nfs/dbraw/zinc/66/97/15/503669715.db2.gz YYUDIWDQOVLSQK-UHFFFAOYSA-N 1 1 351.494 3.490 20 10 FGCDMO O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528289750 504151414 /nfs/dbraw/zinc/15/14/14/504151414.db2.gz UQWBNHSUQKORES-KRWDZBQOSA-N 1 1 357.498 3.087 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)[C@H](C)[C@H]3C)ccc21 ZINC000538921036 504416867 /nfs/dbraw/zinc/41/68/67/504416867.db2.gz DKYNPTVDUDOYJZ-IAGOWNOFSA-N 1 1 357.498 3.069 20 10 FGCDMO COc1cccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3Cl)C2=O)c1O ZINC000093359970 700450849 /nfs/dbraw/zinc/45/08/49/700450849.db2.gz KHWJBLUTSKYWJA-MRXNPFEDSA-N 1 1 360.841 3.292 20 10 FGCDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1O ZINC000109771694 700536423 /nfs/dbraw/zinc/53/64/23/700536423.db2.gz IEVKILGLAAJONY-LLVKDONJSA-N 1 1 363.801 3.413 20 10 FGCDMO C[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)Cc1ccccc1O ZINC000111235418 700547008 /nfs/dbraw/zinc/54/70/08/700547008.db2.gz LPOYSXLTJRCEQU-UHFFFAOYSA-N 1 1 367.276 3.490 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1O ZINC000129917773 700793768 /nfs/dbraw/zinc/79/37/68/700793768.db2.gz ULJJKTGBWSDWQD-NSHDSACASA-N 1 1 356.260 3.164 20 10 FGCDMO CC(C)N(CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000156240321 705107471 /nfs/dbraw/zinc/10/74/71/705107471.db2.gz GWGHBRDUUFLSPI-KRWDZBQOSA-N 1 1 351.510 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O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)CC1 ZINC000840974255 730199450 /nfs/dbraw/zinc/19/94/50/730199450.db2.gz CSNJULXCAVMAFR-CQSZACIVSA-N 1 1 367.287 3.132 20 10 FGCDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)CC1 ZINC000840974255 730199452 /nfs/dbraw/zinc/19/94/52/730199452.db2.gz CSNJULXCAVMAFR-CQSZACIVSA-N 1 1 367.287 3.132 20 10 FGCDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000840975770 730200079 /nfs/dbraw/zinc/20/00/79/730200079.db2.gz RBRFXZUSQUGXDX-MRXNPFEDSA-N 1 1 356.260 3.238 20 10 FGCDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000840975770 730200080 /nfs/dbraw/zinc/20/00/80/730200080.db2.gz RBRFXZUSQUGXDX-MRXNPFEDSA-N 1 1 356.260 3.238 20 10 FGCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)c2ccc(F)c(F)c2)cc1 ZINC000844400048 730713129 /nfs/dbraw/zinc/71/31/29/730713129.db2.gz UDNXPEWSZAHABV-LJQANCHMSA-N 1 1 350.409 3.075 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+](C[C@H](C)O)C2CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000847107882 731022214 /nfs/dbraw/zinc/02/22/14/731022214.db2.gz WLFHWEDTOHLIAO-ZDUSSCGKSA-N 1 1 361.873 3.170 20 10 FGCDMO Cc1cc(C(=O)C[N@H+](C[C@H](C)O)C2CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000847107882 731022219 /nfs/dbraw/zinc/02/22/19/731022219.db2.gz WLFHWEDTOHLIAO-ZDUSSCGKSA-N 1 1 361.873 3.170 20 10 FGCDMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1[O-] ZINC000849349717 731251174 /nfs/dbraw/zinc/25/11/74/731251174.db2.gz FVHSWHNOKRKSMP-ZDUSSCGKSA-N 1 1 353.850 3.165 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000851792864 731499468 /nfs/dbraw/zinc/49/94/68/731499468.db2.gz QKHGQLIJOJDODD-MLGOLLRUSA-N 1 1 358.276 3.028 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CCCN2CC(F)F)c1 ZINC000858230837 732194742 /nfs/dbraw/zinc/19/47/42/732194742.db2.gz FIZRYBKMKMWLTB-LBPRGKRZSA-N 1 1 363.246 3.282 20 10 FGCDMO CCO[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000860241903 732480292 /nfs/dbraw/zinc/48/02/92/732480292.db2.gz MZTJELHLFTZIDH-WMZOPIPTSA-N 1 1 368.905 3.187 20 10 FGCDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862236724 732793563 /nfs/dbraw/zinc/79/35/63/732793563.db2.gz CDDMJRMAYCJYII-ZDUSSCGKSA-N 1 1 369.303 3.139 20 10 FGCDMO Oc1cccc(Br)c1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000862292539 732806017 /nfs/dbraw/zinc/80/60/17/732806017.db2.gz HRSVKBGEHSYMOJ-KRWDZBQOSA-N 1 1 366.230 3.387 20 10 FGCDMO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000883308883 737552177 /nfs/dbraw/zinc/55/21/77/737552177.db2.gz ZHGPOCJKRDSQNB-WDEREUQCSA-N 1 1 351.390 3.029 20 10 FGCDMO CCOCc1cc(C[NH2+]Cc2cnc(Br)cn2)ccc1OC ZINC000895408761 742408523 /nfs/dbraw/zinc/40/85/23/742408523.db2.gz IJUOUSNUVPOKEI-UHFFFAOYSA-N 1 1 366.259 3.074 20 10 FGCDMO Cc1nc([C@H]2CC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)no1 ZINC000896236813 742519282 /nfs/dbraw/zinc/51/92/82/742519282.db2.gz IFMGYRXDBDQPJL-NSHDSACASA-N 1 1 352.232 3.144 20 10 FGCDMO Cn1nc(C[NH2+]Cc2cc(Br)ccc2O)cc1C(F)(F)F ZINC000898022793 742735182 /nfs/dbraw/zinc/73/51/82/742735182.db2.gz LCZRKVYCXKURAD-UHFFFAOYSA-N 1 1 364.165 3.197 20 10 FGCDMO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758334 494053659 /nfs/dbraw/zinc/05/36/59/494053659.db2.gz SEEKECOXBCRRCH-UHFFFAOYSA-N 1 1 364.449 3.205 20 10 FGCDMO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758334 494053664 /nfs/dbraw/zinc/05/36/64/494053664.db2.gz SEEKECOXBCRRCH-UHFFFAOYSA-N 1 1 364.449 3.205 20 10 FGCDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000092380709 494610722 /nfs/dbraw/zinc/61/07/22/494610722.db2.gz BGYBAKFQJKQXRU-UHFFFAOYSA-N 1 1 353.466 3.366 20 10 FGCDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000092707399 494721074 /nfs/dbraw/zinc/72/10/74/494721074.db2.gz HTTRGYOUCSNKLB-CYBMUJFWSA-N 1 1 369.303 3.283 20 10 FGCDMO O[C@H](C[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000091958272 494736084 /nfs/dbraw/zinc/73/60/84/494736084.db2.gz UPJGRWATDWYCHT-WOJBJXKFSA-N 1 1 356.466 3.204 20 10 FGCDMO CC[C@](C)([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000126759745 494833266 /nfs/dbraw/zinc/83/32/66/494833266.db2.gz UUEWZLYVZNFKOV-FQEVSTJZSA-N 1 1 374.554 3.391 20 10 FGCDMO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000155024866 495807154 /nfs/dbraw/zinc/80/71/54/495807154.db2.gz LDSVSWWZZPGXGD-PMACEKPBSA-N 1 1 358.574 3.354 20 10 FGCDMO C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1[O-] ZINC000186519669 496029147 /nfs/dbraw/zinc/02/91/47/496029147.db2.gz UMGGQIRQSPQXPM-HNAYVOBHSA-N 1 1 358.457 3.339 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1O ZINC000184685312 496492076 /nfs/dbraw/zinc/49/20/76/496492076.db2.gz PPEQFJGWHGUNEC-ZDUSSCGKSA-N 1 1 354.878 3.038 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000184703466 496499343 /nfs/dbraw/zinc/49/93/43/496499343.db2.gz BONULVDYPIMGEP-UHFFFAOYSA-N 1 1 363.767 3.439 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000184703466 496499348 /nfs/dbraw/zinc/49/93/48/496499348.db2.gz BONULVDYPIMGEP-UHFFFAOYSA-N 1 1 363.767 3.439 20 10 FGCDMO C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1O ZINC000185086736 496653240 /nfs/dbraw/zinc/65/32/40/496653240.db2.gz FJKWZSFPSQAOKU-CQSZACIVSA-N 1 1 351.443 3.187 20 10 FGCDMO CCOc1cc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)ccc1OC ZINC000273464283 496813833 /nfs/dbraw/zinc/81/38/33/496813833.db2.gz DLFYIXCVGMIGGK-CYBMUJFWSA-N 1 1 359.422 3.437 20 10 FGCDMO CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000273607968 496853186 /nfs/dbraw/zinc/85/31/86/496853186.db2.gz UWLRPYKKHMZZOX-HNNXBMFYSA-N 1 1 371.456 3.051 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1O ZINC000273734651 496889246 /nfs/dbraw/zinc/88/92/46/496889246.db2.gz KXLLMIVJXIEZEJ-GFCCVEGCSA-N 1 1 362.861 3.429 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000273734651 496889250 /nfs/dbraw/zinc/88/92/50/496889250.db2.gz KXLLMIVJXIEZEJ-GFCCVEGCSA-N 1 1 362.861 3.429 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1O ZINC000273734651 496889253 /nfs/dbraw/zinc/88/92/53/496889253.db2.gz KXLLMIVJXIEZEJ-GFCCVEGCSA-N 1 1 362.861 3.429 20 10 FGCDMO Cc1csc(C2([NH2+]CC(=O)N(C)Cc3ccc(N(C)C)cc3)CCC2)n1 ZINC000273973425 496978255 /nfs/dbraw/zinc/97/82/55/496978255.db2.gz HVHQZMJUFOFNHU-UHFFFAOYSA-N 1 1 372.538 3.145 20 10 FGCDMO Cc1csc(C(C)(C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000269653156 496984478 /nfs/dbraw/zinc/98/44/78/496984478.db2.gz RBFQFYBJGGSNBL-UHFFFAOYSA-N 1 1 360.527 3.001 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278312378 497071088 /nfs/dbraw/zinc/07/10/88/497071088.db2.gz XDHWRODDFDPKHM-GOSISDBHSA-N 1 1 372.421 3.255 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H](c2ccccc2)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000278493249 497134201 /nfs/dbraw/zinc/13/42/01/497134201.db2.gz LVHDVWATQYXJGX-MRXNPFEDSA-N 1 1 374.437 3.201 20 10 FGCDMO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCO1 ZINC000278510738 497138940 /nfs/dbraw/zinc/13/89/40/497138940.db2.gz PTLUDGOKGHRVIT-HOCLYGCPSA-N 1 1 352.431 3.382 20 10 FGCDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2ccc(N)cc2)C1 ZINC000237472367 497241945 /nfs/dbraw/zinc/24/19/45/497241945.db2.gz ZPKIGVBHGFDKSE-QGZVFWFLSA-N 1 1 351.494 3.360 20 10 FGCDMO O=C(c1ccoc1)N1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000190745698 497592677 /nfs/dbraw/zinc/59/26/77/497592677.db2.gz IZJUXWQOESGVMZ-UHFFFAOYSA-N 1 1 352.793 3.172 20 10 FGCDMO CC[C@@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(C)cc1O ZINC000279957330 497601692 /nfs/dbraw/zinc/60/16/92/497601692.db2.gz CCYFCAFQSDFVMA-LJQANCHMSA-N 1 1 354.498 3.088 20 10 FGCDMO CN(C)c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000280063809 497636218 /nfs/dbraw/zinc/63/62/18/497636218.db2.gz YPVOJTOXEHJJJU-INIZCTEOSA-N 1 1 369.362 3.227 20 10 FGCDMO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280634953 497834848 /nfs/dbraw/zinc/83/48/48/497834848.db2.gz RKCXVYJHJHVFIV-CQSZACIVSA-N 1 1 357.420 3.120 20 10 FGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)COCC(F)(F)F ZINC000292494486 498036395 /nfs/dbraw/zinc/03/63/95/498036395.db2.gz BRSZGCIHSPRQKL-KRWDZBQOSA-N 1 1 360.420 3.049 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](n3cc4ccccc4n3)C2)cc1OC ZINC000364701883 498099821 /nfs/dbraw/zinc/09/98/21/498099821.db2.gz DPTHBNACJAOCSC-INIZCTEOSA-N 1 1 353.422 3.206 20 10 FGCDMO CC[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(F)cc1O ZINC000285478362 498101081 /nfs/dbraw/zinc/10/10/81/498101081.db2.gz BGLWHHCIBSWRIS-KDOFPFPSSA-N 1 1 359.445 3.392 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCCN(Cc3noc(C(C)C)n3)CC2)c1 ZINC000364980819 498238986 /nfs/dbraw/zinc/23/89/86/498238986.db2.gz KEVUTERCEISZMY-HNNXBMFYSA-N 1 1 374.485 3.176 20 10 FGCDMO CC[C@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1O ZINC000285973392 498257075 /nfs/dbraw/zinc/25/70/75/498257075.db2.gz HFZJKDNIAXWOKZ-PXAZEXFGSA-N 1 1 366.458 3.241 20 10 FGCDMO COC(=O)C[C@@](C)([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccncc1 ZINC000294783045 498804376 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C[N@H+]1CCCC[C@@H]1CCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751931096 722835969 /nfs/dbraw/zinc/83/59/69/722835969.db2.gz MCIVCJYJJSHCIB-MRXNPFEDSA-N 1 1 359.495 3.347 20 10 FGCDMO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756383518 722963728 /nfs/dbraw/zinc/96/37/28/722963728.db2.gz JCWRCQSRDIODCE-QLJPJBMISA-N 1 1 353.365 3.072 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1cccc(NS(C)(=O)=O)c1 ZINC000756496773 722965601 /nfs/dbraw/zinc/96/56/01/722965601.db2.gz XWKVIIBRFRHXKA-NEPJUHHUSA-N 1 1 352.431 3.315 20 10 FGCDMO O=C(C[NH2+]Cc1c(O)ccc(Cl)c1F)Nc1cccc2cccnc21 ZINC000790955294 723198615 /nfs/dbraw/zinc/19/86/15/723198615.db2.gz QCZSCFXHCJOPKU-UHFFFAOYSA-N 1 1 359.788 3.461 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000764679271 723436405 /nfs/dbraw/zinc/43/64/05/723436405.db2.gz RGPBGKNLOLRPTM-IBGZPJMESA-N 1 1 352.544 3.322 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000764679271 723436408 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C[N@@H+](Cc1cc(Br)cs1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439873 723657525 /nfs/dbraw/zinc/65/75/25/723657525.db2.gz OMABRXOUOWPSSO-AWEZNQCLSA-N 1 1 370.268 3.274 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3C[C@H](O)[C@@H](C)C3)c2C)c1 ZINC000768770153 723666824 /nfs/dbraw/zinc/66/68/24/723666824.db2.gz SFKQNNPZMQTYFG-DJJJIMSYSA-N 1 1 358.507 3.311 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@H](O)[C@@H](C)C3)c2C)c1 ZINC000768770153 723666825 /nfs/dbraw/zinc/66/68/25/723666825.db2.gz SFKQNNPZMQTYFG-DJJJIMSYSA-N 1 1 358.507 3.311 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000769468220 723686472 /nfs/dbraw/zinc/68/64/72/723686472.db2.gz DDJJJEZKNZWFMY-GOSISDBHSA-N 1 1 352.544 3.180 20 10 FGCDMO CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c(O)c1 ZINC000770303842 723710753 /nfs/dbraw/zinc/71/07/53/723710753.db2.gz LRBDEWBPMRIUHE-MAUKXSAKSA-N 1 1 363.479 3.177 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c(O)c1 ZINC000770303842 723710754 /nfs/dbraw/zinc/71/07/54/723710754.db2.gz LRBDEWBPMRIUHE-MAUKXSAKSA-N 1 1 363.479 3.177 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C(N)=O)c1ccccc1 ZINC000772797650 723768293 /nfs/dbraw/zinc/76/82/93/723768293.db2.gz HWEVMEIEGKWISR-MRXNPFEDSA-N 1 1 363.255 3.203 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C(N)=O)c1ccccc1 ZINC000772797650 723768295 /nfs/dbraw/zinc/76/82/95/723768295.db2.gz HWEVMEIEGKWISR-MRXNPFEDSA-N 1 1 363.255 3.203 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)O[C@@H]2CCSC2)C1 ZINC000774079329 723856932 /nfs/dbraw/zinc/85/69/32/723856932.db2.gz XCVCWJYWLMRXDR-OAHLLOKOSA-N 1 1 358.507 3.457 20 10 FGCDMO Cc1cc(C)n2c(C[NH2+]Cc3cccc(Br)c3O)cnc2n1 ZINC000775150777 723964902 /nfs/dbraw/zinc/96/49/02/723964902.db2.gz AZHKRUIFMPIKJY-UHFFFAOYSA-N 1 1 361.243 3.104 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1O ZINC000775674825 724022257 /nfs/dbraw/zinc/02/22/57/724022257.db2.gz LDUWUYIPSXTBPN-HNNXBMFYSA-N 1 1 350.260 3.497 20 10 FGCDMO CCCC[N@@H+](CC(=O)NCC(=O)c1cccs1)Cc1ccccc1O ZINC000801595059 724318052 /nfs/dbraw/zinc/31/80/52/724318052.db2.gz FTSAXWUJOPQWPT-UHFFFAOYSA-N 1 1 360.479 3.055 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CCOC(C)C ZINC000788274092 725054150 /nfs/dbraw/zinc/05/41/50/725054150.db2.gz DPJJJEWZCNUAJF-HNNXBMFYSA-N 1 1 360.292 3.153 20 10 FGCDMO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805224769 725057233 /nfs/dbraw/zinc/05/72/33/725057233.db2.gz XCCLVHSBPYVYNJ-CHWSQXEVSA-N 1 1 360.285 3.371 20 10 FGCDMO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000809720201 725262497 /nfs/dbraw/zinc/26/24/97/725262497.db2.gz AAWVZPUDDOWMIG-INIZCTEOSA-N 1 1 351.466 3.381 20 10 FGCDMO COc1ccc(C[NH2+]Cc2cc(C)cc(Br)c2O)c(OC)n1 ZINC000810176964 725294883 /nfs/dbraw/zinc/29/48/83/725294883.db2.gz DRIZTFQTTJPOSQ-UHFFFAOYSA-N 1 1 367.243 3.165 20 10 FGCDMO CC[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817903488 727287715 /nfs/dbraw/zinc/28/77/15/727287715.db2.gz PTIDVFZQFZIHOG-MSOLQXFVSA-N 1 1 353.457 3.377 20 10 FGCDMO CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Cl)c1[O-] ZINC000817982816 727290334 /nfs/dbraw/zinc/29/03/34/727290334.db2.gz HWBBJQSMENLLOO-JTTJXQCZSA-N 1 1 351.922 3.303 20 10 FGCDMO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000824576663 729348891 /nfs/dbraw/zinc/34/88/91/729348891.db2.gz QTJSKCCHFYARTR-CQSZACIVSA-N 1 1 359.392 3.044 20 10 FGCDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000824576663 729348893 /nfs/dbraw/zinc/34/88/93/729348893.db2.gz QTJSKCCHFYARTR-CQSZACIVSA-N 1 1 359.392 3.044 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)[C@H](CO)c2ccccc2)c1O ZINC000824695795 729355698 /nfs/dbraw/zinc/35/56/98/729355698.db2.gz DIPBZPXNTPORKI-OAHLLOKOSA-N 1 1 366.255 3.329 20 10 FGCDMO O=S1(=O)CC[C@@]2(C1)CCC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000824976542 729366369 /nfs/dbraw/zinc/36/63/69/729366369.db2.gz BYVTZDCJMOXLLM-FQEVSTJZSA-N 1 1 362.539 3.078 20 10 FGCDMO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000824976542 729366372 /nfs/dbraw/zinc/36/63/72/729366372.db2.gz BYVTZDCJMOXLLM-FQEVSTJZSA-N 1 1 362.539 3.078 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124810 729371860 /nfs/dbraw/zinc/37/18/60/729371860.db2.gz YRMCJJWLQHVPRL-NOZJJQNGSA-N 1 1 368.193 3.208 20 10 FGCDMO Fc1cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)ccc1N1CCOCC1 ZINC000825215256 729374787 /nfs/dbraw/zinc/37/47/87/729374787.db2.gz JFCLPJHEOMMHDE-LJQANCHMSA-N 1 1 350.503 3.381 20 10 FGCDMO Cc1cc(C(=O)C[N@H+](CCO)CC2CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827491221 729430916 /nfs/dbraw/zinc/43/09/16/729430916.db2.gz IISISUXMEDNZSN-UHFFFAOYSA-N 1 1 361.873 3.030 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+](CCO)CC2CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827491221 729430917 /nfs/dbraw/zinc/43/09/17/729430917.db2.gz IISISUXMEDNZSN-UHFFFAOYSA-N 1 1 361.873 3.030 20 10 FGCDMO COc1cccc(C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)c1O ZINC000840958065 730197113 /nfs/dbraw/zinc/19/71/13/730197113.db2.gz IBKNNOOQFQJVSQ-OAHLLOKOSA-N 1 1 366.255 3.329 20 10 FGCDMO Oc1c(Br)cccc1CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000843118626 730588074 /nfs/dbraw/zinc/58/80/74/730588074.db2.gz OOAULYTWOASSAE-MRXNPFEDSA-N 1 1 365.246 3.440 20 10 FGCDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844880626 730784834 /nfs/dbraw/zinc/78/48/34/730784834.db2.gz AMUTUFHWVNMNTN-CQSZACIVSA-N 1 1 353.894 3.357 20 10 FGCDMO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(Br)c1O ZINC000850411826 731353965 /nfs/dbraw/zinc/35/39/65/731353965.db2.gz LOEYUBIBBHGUNR-LRDDRELGSA-N 1 1 350.256 3.409 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[O-] ZINC000852754542 731630819 /nfs/dbraw/zinc/63/08/19/731630819.db2.gz UOFYABJOPBBZEF-OAHLLOKOSA-N 1 1 350.890 3.460 20 10 FGCDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@H]2CCC[C@H]21 ZINC000859951078 732421912 /nfs/dbraw/zinc/42/19/12/732421912.db2.gz JIYPGYZJDAPWEA-UXLLHSPISA-N 1 1 365.857 3.412 20 10 FGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@H]2CCC[C@H]21 ZINC000859951078 732421913 /nfs/dbraw/zinc/42/19/13/732421913.db2.gz JIYPGYZJDAPWEA-UXLLHSPISA-N 1 1 365.857 3.412 20 10 FGCDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862229701 732790590 /nfs/dbraw/zinc/79/05/90/732790590.db2.gz JKTORTUMZOYOLR-GFCCVEGCSA-N 1 1 350.260 3.268 20 10 FGCDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3c(O)cccc3Br)C2)o1 ZINC000862237674 732793206 /nfs/dbraw/zinc/79/32/06/732793206.db2.gz CIWRYHQGCZWEHK-NSHDSACASA-N 1 1 352.232 3.226 20 10 FGCDMO CCOC(=O)N(C)C1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862239019 732795143 /nfs/dbraw/zinc/79/51/43/732795143.db2.gz RTZSGPOSAUPTPV-UHFFFAOYSA-N 1 1 355.429 3.084 20 10 FGCDMO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000862242002 732796005 /nfs/dbraw/zinc/79/60/05/732796005.db2.gz RSKFDNQHYRJZJA-PWSUYJOCSA-N 1 1 354.166 3.042 20 10 FGCDMO CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)cc1 ZINC000884180353 737641386 /nfs/dbraw/zinc/64/13/86/737641386.db2.gz VRBDREAOBLKSKH-INIZCTEOSA-N 1 1 351.372 3.088 20 10 FGCDMO CCOc1cccc(C[N@H+]2CC[C@@H](c3ncc(C(=O)OC)s3)C2)c1O ZINC000896968017 742623556 /nfs/dbraw/zinc/62/35/56/742623556.db2.gz CBWXYUZLONMWPN-CYBMUJFWSA-N 1 1 362.451 3.024 20 10 FGCDMO Cc1noc(C[C@H]2CCC[N@H+](Cc3cccc(Br)c3O)C2)n1 ZINC000897579236 742691398 /nfs/dbraw/zinc/69/13/98/742691398.db2.gz RLLKMIMYHPJTRF-GFCCVEGCSA-N 1 1 366.259 3.301 20 10 FGCDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3cccc(Br)c3O)C2)n1 ZINC000897579236 742691401 /nfs/dbraw/zinc/69/14/01/742691401.db2.gz RLLKMIMYHPJTRF-GFCCVEGCSA-N 1 1 366.259 3.301 20 10 FGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000903187862 743819454 /nfs/dbraw/zinc/81/94/54/743819454.db2.gz IZOFTKSXLIRNSZ-GFCCVEGCSA-N 1 1 351.292 3.490 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1c(O)cccc1F ZINC000903477527 743854353 /nfs/dbraw/zinc/85/43/53/743854353.db2.gz AMCVFXYNABVTCN-ZJUUUORDSA-N 1 1 354.223 3.156 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](C[C@@H](O)COCc2cccs2)C2CC2)cc1 ZINC000917013463 758164753 /nfs/dbraw/zinc/16/47/53/758164753.db2.gz BMYSTRVAGCKRJW-LJQANCHMSA-N 1 1 360.523 3.356 20 10 FGCDMO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3[O-])C2)[C@H]1C(C)C ZINC000922393221 758912567 /nfs/dbraw/zinc/91/25/67/758912567.db2.gz QREIZHVBNNQCLQ-OWYHZJEWSA-N 1 1 352.906 3.005 20 10 FGCDMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(Cl)ccc3[O-])C2)[C@H]1C(C)C ZINC000922393221 758912568 /nfs/dbraw/zinc/91/25/68/758912568.db2.gz QREIZHVBNNQCLQ-OWYHZJEWSA-N 1 1 352.906 3.005 20 10 FGCDMO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CNCCC2(F)F)c1O ZINC000925775854 759534356 /nfs/dbraw/zinc/53/43/56/759534356.db2.gz HTJLFNHHNMJQGC-WDEREUQCSA-N 1 1 363.246 3.359 20 10 FGCDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000933124232 761320883 /nfs/dbraw/zinc/32/08/83/761320883.db2.gz CJLGVUREHWTSHM-SFHVURJKSA-N 1 1 357.523 3.353 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CCCN(Cc3cscn3)CC2)c(O)c1 ZINC000093016276 494809063 /nfs/dbraw/zinc/80/90/63/494809063.db2.gz NUUCNZVZNBDHIB-UHFFFAOYSA-N 1 1 361.511 3.345 20 10 FGCDMO Cc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(C)n1-c1ccccn1 ZINC000119230597 495122524 /nfs/dbraw/zinc/12/25/24/495122524.db2.gz FKQURGCJFYJTGV-MJGOQNOKSA-N 1 1 352.482 3.045 20 10 FGCDMO Cc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)ccn1 ZINC000580516041 505776141 /nfs/dbraw/zinc/77/61/41/505776141.db2.gz LUKIGRTXXXZQAR-UHFFFAOYSA-N 1 1 362.477 3.172 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OC ZINC000158839300 495598514 /nfs/dbraw/zinc/59/85/14/495598514.db2.gz QAQGIHLCQYGUJM-OAHLLOKOSA-N 1 1 370.449 3.260 20 10 FGCDMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(C)ccc1O ZINC000179572175 495645969 /nfs/dbraw/zinc/64/59/69/495645969.db2.gz BBJZOQVBRCKZBJ-UHFFFAOYSA-N 1 1 355.438 3.120 20 10 FGCDMO Nc1nc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc2ccccc12 ZINC000181461104 496406560 /nfs/dbraw/zinc/40/65/60/496406560.db2.gz NFMQNBWJFLAPOC-MRXNPFEDSA-N 1 1 364.449 3.099 20 10 FGCDMO Nc1nc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)nc2ccccc12 ZINC000181461104 496406564 /nfs/dbraw/zinc/40/65/64/496406564.db2.gz NFMQNBWJFLAPOC-MRXNPFEDSA-N 1 1 364.449 3.099 20 10 FGCDMO Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175637690 496477235 /nfs/dbraw/zinc/47/72/35/496477235.db2.gz WXYJTJPPQSZCKK-UHFFFAOYSA-N 1 1 355.486 3.071 20 10 FGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184685356 496492318 /nfs/dbraw/zinc/49/23/18/496492318.db2.gz PTHCUUJQHBQINC-ZDUSSCGKSA-N 1 1 354.878 3.183 20 10 FGCDMO Cc1nn2c(nc(C)c2C[NH2+]Cc2cccc(Br)c2O)s1 ZINC000278416727 497106958 /nfs/dbraw/zinc/10/69/58/497106958.db2.gz QXKNSCIPGIILIE-UHFFFAOYSA-N 1 1 367.272 3.166 20 10 FGCDMO CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1nccn1C ZINC000271670247 497413955 /nfs/dbraw/zinc/41/39/55/497413955.db2.gz GKNYOTNEFLQESZ-RKVPGOIHSA-N 1 1 360.477 3.414 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+][C@@H](c3nccn3C)C3CC3)cc2F)C[C@@H](C)O1 ZINC000271774474 497446065 /nfs/dbraw/zinc/44/60/65/497446065.db2.gz FXGIVFYLQYTJPT-STXHMFSFSA-N 1 1 372.488 3.414 20 10 FGCDMO Cc1ccc([C@@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280896375 497940604 /nfs/dbraw/zinc/94/06/04/497940604.db2.gz QOUZNEMWUZKFHG-UZLBHIALSA-N 1 1 360.523 3.325 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1C[C@H](c3ccccc3)[C@H]3COCC[C@H]31)OCO2 ZINC000285176815 498013920 /nfs/dbraw/zinc/01/39/20/498013920.db2.gz QTQRXBUKSMROAL-KZNAEPCWSA-N 1 1 353.418 3.125 20 10 FGCDMO C[C@@H](CN1CCN(C)CC1)[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293779610 498486870 /nfs/dbraw/zinc/48/68/70/498486870.db2.gz QBKWYCZZYGFGTB-SIKLNZKXSA-N 1 1 367.537 3.292 20 10 FGCDMO COc1ccc(C[C@](C)(O)C[NH2+][C@H](C)c2ccc(F)cc2O)cc1OC ZINC000290276372 498491042 /nfs/dbraw/zinc/49/10/42/498491042.db2.gz WSHZXPKSJVKYNF-XCLFUZPHSA-N 1 1 363.429 3.193 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000294913787 498847038 /nfs/dbraw/zinc/84/70/38/498847038.db2.gz YDHIZZPUONXJOX-UHFFFAOYSA-N 1 1 360.841 3.318 20 10 FGCDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295048007 498892105 /nfs/dbraw/zinc/89/21/05/498892105.db2.gz JTPLUYNWSJUPKY-UHFFFAOYSA-N 1 1 372.440 3.221 20 10 FGCDMO O=C(NC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1)C(F)(F)F ZINC000291491022 498961934 /nfs/dbraw/zinc/96/19/34/498961934.db2.gz GPUWEUBARHVEQY-ZDUSSCGKSA-N 1 1 366.383 3.436 20 10 FGCDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295387277 499001444 /nfs/dbraw/zinc/00/14/44/499001444.db2.gz QONBYTNSGIYTQH-FQEVSTJZSA-N 1 1 373.541 3.183 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1F ZINC000370406016 499217313 /nfs/dbraw/zinc/21/73/13/499217313.db2.gz MFQJRWNPUNKGED-RXVVDRJESA-N 1 1 356.489 3.412 20 10 FGCDMO O=C(c1ccoc1)N1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000371410900 499322692 /nfs/dbraw/zinc/32/26/92/499322692.db2.gz IMOFUCPALWBUNW-UHFFFAOYSA-N 1 1 350.418 3.487 20 10 FGCDMO Cn1cc([C@H]([NH2+]Cc2ccc3c(c2)CCN3C)c2cccc(F)c2)cn1 ZINC000372423323 499432803 /nfs/dbraw/zinc/43/28/03/499432803.db2.gz XALJLUJRZWTDDO-OAQYLSRUSA-N 1 1 350.441 3.431 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000377621097 499711417 /nfs/dbraw/zinc/71/14/17/499711417.db2.gz GHXQSRBWTDSQNP-ZBFHGGJFSA-N 1 1 374.485 3.140 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000377919334 499748163 /nfs/dbraw/zinc/74/81/63/499748163.db2.gz MEERZCWFCPMOIY-UHFFFAOYSA-N 1 1 355.482 3.282 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000428091884 500467891 /nfs/dbraw/zinc/46/78/91/500467891.db2.gz NJXGKQNXYURRAG-FAQVEIGNSA-N 1 1 351.494 3.323 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CSC[C@H]2C)C1 ZINC000552669020 505530046 /nfs/dbraw/zinc/53/00/46/505530046.db2.gz YMXRNNXEBDTTFF-CRAIPNDOSA-N 1 1 371.550 3.276 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CSC[C@H]2C)C1 ZINC000552669028 505530090 /nfs/dbraw/zinc/53/00/90/505530090.db2.gz YMXRNNXEBDTTFF-QAPCUYQASA-N 1 1 371.550 3.276 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C2CC2)cc1 ZINC000736772928 598716608 /nfs/dbraw/zinc/71/66/08/598716608.db2.gz HWWXVWPZRNJGPG-UHFFFAOYSA-N 1 1 366.444 3.236 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000825418105 608506176 /nfs/dbraw/zinc/50/61/76/608506176.db2.gz XBZJHXHWHSTUCD-UHFFFAOYSA-N 1 1 356.499 3.406 20 10 FGCDMO CCOc1ccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c(O)c1 ZINC000825639139 608519244 /nfs/dbraw/zinc/51/92/44/608519244.db2.gz RFWUCKFWCMTRDM-UHFFFAOYSA-N 1 1 365.437 3.136 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1 ZINC000825643759 608531861 /nfs/dbraw/zinc/53/18/61/608531861.db2.gz TUUYLJHFJKVGPO-UHFFFAOYSA-N 1 1 367.453 3.382 20 10 FGCDMO CC[N@@H+](Cc1cccc(OC)c1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825434644 608549958 /nfs/dbraw/zinc/54/99/58/608549958.db2.gz CQEWCJMGVCXBNA-CYBMUJFWSA-N 1 1 353.426 3.164 20 10 FGCDMO Cc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC000092586934 700437698 /nfs/dbraw/zinc/43/76/98/700437698.db2.gz FMRCWKDAZZERMG-UHFFFAOYSA-N 1 1 362.832 3.451 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000154892619 705053527 /nfs/dbraw/zinc/05/35/27/705053527.db2.gz VLNXIVPKYZTWER-OAHLLOKOSA-N 1 1 350.459 3.280 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000179990392 705723462 /nfs/dbraw/zinc/72/34/62/705723462.db2.gz GJRPDSFSKPMTLD-UHFFFAOYSA-N 1 1 350.459 3.234 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H]12 ZINC000184240124 705925170 /nfs/dbraw/zinc/92/51/70/705925170.db2.gz BBJIJOMFTWHUAT-UHOFOFEASA-N 1 1 350.434 3.266 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1O ZINC000184481943 712672395 /nfs/dbraw/zinc/67/23/95/712672395.db2.gz CRQHZADRVPIVNZ-CQSZACIVSA-N 1 1 351.418 3.288 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1O ZINC000184481943 712672396 /nfs/dbraw/zinc/67/23/96/712672396.db2.gz CRQHZADRVPIVNZ-CQSZACIVSA-N 1 1 351.418 3.288 20 10 FGCDMO CCCC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000192941746 712878262 /nfs/dbraw/zinc/87/82/62/712878262.db2.gz HCQSHRKUIFDJQE-MRXNPFEDSA-N 1 1 369.527 3.185 20 10 FGCDMO CCCC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000192941746 712878264 /nfs/dbraw/zinc/87/82/64/712878264.db2.gz HCQSHRKUIFDJQE-MRXNPFEDSA-N 1 1 369.527 3.185 20 10 FGCDMO CCC[NH+]1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000804871531 724559675 /nfs/dbraw/zinc/55/96/75/724559675.db2.gz LOTXKIIIHWXLNE-UHFFFAOYSA-N 1 1 360.285 3.373 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@]2(CO)CCc3ccccc32)c1 ZINC000781635616 724581140 /nfs/dbraw/zinc/58/11/40/724581140.db2.gz ICMZGIWBBOVVOE-GOSISDBHSA-N 1 1 362.267 3.387 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H](c2ccco2)N(C)C)c1 ZINC000781625482 724579767 /nfs/dbraw/zinc/57/97/67/724579767.db2.gz ZDIBLMBSJMFGGH-CQSZACIVSA-N 1 1 353.260 3.449 20 10 FGCDMO CCC[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1O ZINC000743870280 722572106 /nfs/dbraw/zinc/57/21/06/722572106.db2.gz OKUAJMDGBVOABK-UHFFFAOYSA-N 1 1 363.479 3.087 20 10 FGCDMO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756461098 722965038 /nfs/dbraw/zinc/96/50/38/722965038.db2.gz SDGTVLSIDLXILM-ZFWWWQNUSA-N 1 1 351.393 3.378 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000756478897 722965380 /nfs/dbraw/zinc/96/53/80/722965380.db2.gz GOQQQQIHARAOKJ-NSHDSACASA-N 1 1 362.813 3.122 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)Cc2cnccc2C)c1O ZINC000793341354 723426662 /nfs/dbraw/zinc/42/66/62/723426662.db2.gz SFJIPWNSPUSYMS-UHFFFAOYSA-N 1 1 351.244 3.499 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000793365445 723430923 /nfs/dbraw/zinc/43/09/23/723430923.db2.gz LKMYAWCMNWAPCX-QGZVFWFLSA-N 1 1 370.287 3.233 20 10 FGCDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038636 723472361 /nfs/dbraw/zinc/47/23/61/723472361.db2.gz NIARKOIYDLKYKV-BBWFWOEESA-N 1 1 363.933 3.454 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)c2cccc(Cl)c2)c1 ZINC000765812962 723542606 /nfs/dbraw/zinc/54/26/06/723542606.db2.gz CDAUTSDPQRSISU-BUXKBTBVSA-N 1 1 363.841 3.391 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)c1O ZINC000796531904 723641883 /nfs/dbraw/zinc/64/18/83/723641883.db2.gz MWJYZTKKMQNIQV-KRWDZBQOSA-N 1 1 360.841 3.297 20 10 FGCDMO CC[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(F)cc1O ZINC000796677307 723649861 /nfs/dbraw/zinc/64/98/61/723649861.db2.gz BYBJTPAPIAFPCV-MRXNPFEDSA-N 1 1 352.431 3.144 20 10 FGCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccc(Cl)cc3)C1)[C@H](O)CO2 ZINC000768441586 723657608 /nfs/dbraw/zinc/65/76/08/723657608.db2.gz DTHBKDYWCQTDBT-MJGOQNOKSA-N 1 1 361.825 3.045 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccc(Cl)cc3)C1)[C@H](O)CO2 ZINC000768441586 723657609 /nfs/dbraw/zinc/65/76/09/723657609.db2.gz DTHBKDYWCQTDBT-MJGOQNOKSA-N 1 1 361.825 3.045 20 10 FGCDMO C[C@@H]1SCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1ccccc1 ZINC000768445204 723657673 /nfs/dbraw/zinc/65/76/73/723657673.db2.gz GKWFBARQYRDRLQ-VIZZQPHQSA-N 1 1 357.475 3.497 20 10 FGCDMO C[N@H+](Cc1ccccc1C(F)(F)F)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439949 723657708 /nfs/dbraw/zinc/65/77/08/723657708.db2.gz AUAKGLFUABBJHT-MRXNPFEDSA-N 1 1 353.340 3.469 20 10 FGCDMO CCOc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c(O)c1 ZINC000770303839 723710822 /nfs/dbraw/zinc/71/08/22/723710822.db2.gz LRBDEWBPMRIUHE-CRAIPNDOSA-N 1 1 363.479 3.177 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c(O)c1 ZINC000770303839 723710824 /nfs/dbraw/zinc/71/08/24/723710824.db2.gz LRBDEWBPMRIUHE-CRAIPNDOSA-N 1 1 363.479 3.177 20 10 FGCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000773759973 723821032 /nfs/dbraw/zinc/82/10/32/723821032.db2.gz CJZKBJBTXOLSPY-SGTLLEGYSA-N 1 1 362.857 3.101 20 10 FGCDMO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000774351116 723884959 /nfs/dbraw/zinc/88/49/59/723884959.db2.gz BHLCKPRQQNPDNQ-VHSXEESVSA-N 1 1 352.283 3.317 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H](C)Oc2ccccc2F)ccc1[N+](=O)[O-] ZINC000775028607 723953709 /nfs/dbraw/zinc/95/37/09/723953709.db2.gz FMDRWLNSZRWCOV-NSHDSACASA-N 1 1 350.346 3.005 20 10 FGCDMO Cc1c(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)ccn1C ZINC000798980939 723981617 /nfs/dbraw/zinc/98/16/17/723981617.db2.gz FELNUCMDCJIARB-INIZCTEOSA-N 1 1 361.873 3.087 20 10 FGCDMO CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775500120 723996372 /nfs/dbraw/zinc/99/63/72/723996372.db2.gz WKSAJTFNKZSRPM-MAUKXSAKSA-N 1 1 353.938 3.360 20 10 FGCDMO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000775692612 724025907 /nfs/dbraw/zinc/02/59/07/724025907.db2.gz ZJKRVRRUUDBIMH-OKILXGFUSA-N 1 1 350.459 3.231 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000775739065 724035656 /nfs/dbraw/zinc/03/56/56/724035656.db2.gz CBAMVMSVSBPKEY-DZGCQCFKSA-N 1 1 350.459 3.278 20 10 FGCDMO Oc1ccccc1C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)C[C@@H]1CCCO1 ZINC000799729858 724088433 /nfs/dbraw/zinc/08/84/33/724088433.db2.gz XIJLLABYPKQDEO-AWEZNQCLSA-N 1 1 355.360 3.315 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)C[C@@H]1CCCO1 ZINC000799729858 724088437 /nfs/dbraw/zinc/08/84/37/724088437.db2.gz XIJLLABYPKQDEO-AWEZNQCLSA-N 1 1 355.360 3.315 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000805748117 725091067 /nfs/dbraw/zinc/09/10/67/725091067.db2.gz LHGUCQNOZHYODZ-NXEZZACHSA-N 1 1 352.232 3.365 20 10 FGCDMO C[N@@H+](CCn1cc(Br)cn1)Cc1cc2c(cc1O)CCCC2 ZINC000808243034 725189434 /nfs/dbraw/zinc/18/94/34/725189434.db2.gz UHUIGRLERPPWEK-UHFFFAOYSA-N 1 1 364.287 3.362 20 10 FGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000808706505 725214335 /nfs/dbraw/zinc/21/43/35/725214335.db2.gz LNOFHOMVQLNUSU-VHSSKADRSA-N 1 1 352.906 3.382 20 10 FGCDMO COc1cccc(C[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)c1O ZINC000809739927 725264141 /nfs/dbraw/zinc/26/41/41/725264141.db2.gz GRIPSLPALGJWLE-UHFFFAOYSA-N 1 1 362.792 3.064 20 10 FGCDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000811931894 725385121 /nfs/dbraw/zinc/38/51/21/725385121.db2.gz VATPRLLNHQBRNE-LBPRGKRZSA-N 1 1 372.307 3.074 20 10 FGCDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000811930527 725385130 /nfs/dbraw/zinc/38/51/30/725385130.db2.gz VATPRLLNHQBRNE-GFCCVEGCSA-N 1 1 372.307 3.074 20 10 FGCDMO Cc1cc(Br)c(O)c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000816642128 727183974 /nfs/dbraw/zinc/18/39/74/727183974.db2.gz QBBYRGVOSMOZPQ-KRWDZBQOSA-N 1 1 353.304 3.381 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000822525727 729190269 /nfs/dbraw/zinc/19/02/69/729190269.db2.gz LCAKCBCLPKEHOQ-DNVCBOLYSA-N 1 1 363.841 3.371 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1 ZINC000824501521 729343602 /nfs/dbraw/zinc/34/36/02/729343602.db2.gz NJSOJEXCJBRLFU-HNNXBMFYSA-N 1 1 368.246 3.295 20 10 FGCDMO Cc1cc(O)c(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1Cl ZINC000824632266 729351729 /nfs/dbraw/zinc/35/17/29/729351729.db2.gz BWFFXJSFLQSIQY-GFCCVEGCSA-N 1 1 368.886 3.194 20 10 FGCDMO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(C)cc(Br)c1O)C(C)C ZINC000824683784 729354852 /nfs/dbraw/zinc/35/48/52/729354852.db2.gz WDKQBFHUCXGKOX-AWEZNQCLSA-N 1 1 357.292 3.056 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000824845539 729361782 /nfs/dbraw/zinc/36/17/82/729361782.db2.gz LZBSFRKOLJTLPD-GOEBONIOSA-N 1 1 354.288 3.350 20 10 FGCDMO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824914117 729364682 /nfs/dbraw/zinc/36/46/82/729364682.db2.gz MAKGDPWRGGGGKF-IBGZPJMESA-N 1 1 350.528 3.076 20 10 FGCDMO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000824914117 729364683 /nfs/dbraw/zinc/36/46/83/729364683.db2.gz MAKGDPWRGGGGKF-IBGZPJMESA-N 1 1 350.528 3.076 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+](C)C2(CO)CCC2)c(C)n1-c1ccc(Cl)cn1 ZINC000830008640 729529415 /nfs/dbraw/zinc/52/94/15/729529415.db2.gz FQJSPRCJKPEBMT-UHFFFAOYSA-N 1 1 361.873 3.172 20 10 FGCDMO Cc1cc(C(=O)C[N@H+](C)C2(CO)CCC2)c(C)n1-c1ccc(Cl)cn1 ZINC000830008640 729529420 /nfs/dbraw/zinc/52/94/20/729529420.db2.gz FQJSPRCJKPEBMT-UHFFFAOYSA-N 1 1 361.873 3.172 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CC[S@@](=O)C(C)(C)CC3)cc2)CC1 ZINC000832026294 729683177 /nfs/dbraw/zinc/68/31/77/729683177.db2.gz SOXAVKRGBGLINL-RUZDIDTESA-N 1 1 364.555 3.035 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CC[S@@](=O)C(C)(C)CC3)cc2)CC1 ZINC000832026294 729683178 /nfs/dbraw/zinc/68/31/78/729683178.db2.gz SOXAVKRGBGLINL-RUZDIDTESA-N 1 1 364.555 3.035 20 10 FGCDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835052441 729853433 /nfs/dbraw/zinc/85/34/33/729853433.db2.gz OJTHGYHAFKEFRP-CHYADLBTSA-N 1 1 356.388 3.193 20 10 FGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cc(Br)ccc2F)cc1 ZINC000841041258 730205479 /nfs/dbraw/zinc/20/54/79/730205479.db2.gz ZAAWZSHJKRAKTI-QGZVFWFLSA-N 1 1 366.278 3.444 20 10 FGCDMO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841086965 730209146 /nfs/dbraw/zinc/20/91/46/730209146.db2.gz GHEZBHOZGVEMJM-UHFFFAOYSA-N 1 1 358.313 3.005 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1O ZINC000843417392 730617997 /nfs/dbraw/zinc/61/79/97/730617997.db2.gz FJGVOGKFNKXORV-HNNXBMFYSA-N 1 1 358.301 3.171 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c1O ZINC000843417392 730618000 /nfs/dbraw/zinc/61/80/00/730618000.db2.gz FJGVOGKFNKXORV-HNNXBMFYSA-N 1 1 358.301 3.171 20 10 FGCDMO C[N@@H+](CCNC(=O)NCc1cc(Cl)ccc1O)Cc1ccc(F)cc1 ZINC000845024280 730803104 /nfs/dbraw/zinc/80/31/04/730803104.db2.gz YOIGJAKMRNRIMK-UHFFFAOYSA-N 1 1 365.836 3.116 20 10 FGCDMO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848521960 731174801 /nfs/dbraw/zinc/17/48/01/731174801.db2.gz SHDHSPSULRFIQS-NWDGAFQWSA-N 1 1 357.292 3.156 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CCCSCC3)cc2F)CC1 ZINC000850433754 731356889 /nfs/dbraw/zinc/35/68/89/731356889.db2.gz PPWHIAFRPJPWRS-QGZVFWFLSA-N 1 1 351.535 3.343 20 10 FGCDMO Cn1cc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c(Br)n1 ZINC000858116838 732181965 /nfs/dbraw/zinc/18/19/65/732181965.db2.gz ZUYBQARVMODFRV-UHFFFAOYSA-N 1 1 363.303 3.463 20 10 FGCDMO Oc1cccc(Br)c1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000862242001 732795931 /nfs/dbraw/zinc/79/59/31/732795931.db2.gz RSKFDNQHYRJZJA-JQWIXIFHSA-N 1 1 354.166 3.042 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1F ZINC000862292231 732806104 /nfs/dbraw/zinc/80/61/04/732806104.db2.gz DEYKMMQNASJICJ-IBGZPJMESA-N 1 1 350.384 3.263 20 10 FGCDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862350225 732812848 /nfs/dbraw/zinc/81/28/48/732812848.db2.gz MEXYPUHORFJQBI-GFCCVEGCSA-N 1 1 350.260 3.268 20 10 FGCDMO OC[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CC[C@@H]1C(F)(F)F ZINC000862364618 732816734 /nfs/dbraw/zinc/81/67/34/732816734.db2.gz FLDZITRSSBZHGD-ONGXEEELSA-N 1 1 368.193 3.147 20 10 FGCDMO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862420544 732830733 /nfs/dbraw/zinc/83/07/33/732830733.db2.gz PXBKSXHXAJWZHU-UHFFFAOYSA-N 1 1 350.260 3.462 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000866435812 733349087 /nfs/dbraw/zinc/34/90/87/733349087.db2.gz GVWIUTRJNIGWCK-LDYMZIIASA-N 1 1 368.281 3.457 20 10 FGCDMO CCOC(=O)c1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)on1 ZINC000866516103 733359562 /nfs/dbraw/zinc/35/95/62/733359562.db2.gz QBZHYXXGCLIWGO-SECBINFHSA-N 1 1 358.316 3.427 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c1O ZINC000872255973 735610536 /nfs/dbraw/zinc/61/05/36/735610536.db2.gz PMGBSZGEZAOYSL-LLVKDONJSA-N 1 1 366.202 3.019 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)c1O ZINC000872255973 735610542 /nfs/dbraw/zinc/61/05/42/735610542.db2.gz PMGBSZGEZAOYSL-LLVKDONJSA-N 1 1 366.202 3.019 20 10 FGCDMO CCc1cc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872794425 735677479 /nfs/dbraw/zinc/67/74/79/735677479.db2.gz IXARGXYXAIRMPF-RDJZCZTQSA-N 1 1 365.539 3.119 20 10 FGCDMO CO[C@@H]1C[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)Cc3cccnc3N2C1 ZINC000877687900 736705148 /nfs/dbraw/zinc/70/51/48/736705148.db2.gz NFAMACDFUJXEJN-LSDHHAIUSA-N 1 1 359.857 3.050 20 10 FGCDMO COC(=O)c1coc(C[NH2+]Cc2cc(C)cc(Br)c2O)c1 ZINC000877699634 736707955 /nfs/dbraw/zinc/70/79/55/736707955.db2.gz SMKOJTDJHCUGKM-UHFFFAOYSA-N 1 1 354.200 3.133 20 10 FGCDMO C[C@@](CO)([NH2+]Cc1cc(Br)cc(F)c1O)c1ccccc1 ZINC000883003434 737511035 /nfs/dbraw/zinc/51/10/35/737511035.db2.gz PSTABRZRPWMHEL-INIZCTEOSA-N 1 1 354.219 3.291 20 10 FGCDMO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000883074727 737518734 /nfs/dbraw/zinc/51/87/34/737518734.db2.gz HFWWMXVJJPQJGQ-AWEZNQCLSA-N 1 1 355.406 3.013 20 10 FGCDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883114093 737525166 /nfs/dbraw/zinc/52/51/66/737525166.db2.gz LFOZFZOANBTVJG-NSHDSACASA-N 1 1 355.406 3.315 20 10 FGCDMO COc1cc(C)cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1O ZINC000894089748 742237523 /nfs/dbraw/zinc/23/75/23/742237523.db2.gz WWIVAZZQXFUGLX-CVEARBPZSA-N 1 1 363.479 3.095 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1O ZINC000894089748 742237524 /nfs/dbraw/zinc/23/75/24/742237524.db2.gz WWIVAZZQXFUGLX-CVEARBPZSA-N 1 1 363.479 3.095 20 10 FGCDMO COc1c(O)c(C[N@H+]2CC[C@@H](Cc3nc(C)cs3)C2)ccc1[N+](=O)[O-] ZINC000897298756 742665397 /nfs/dbraw/zinc/66/53/97/742665397.db2.gz IFSFDUSACDUIRP-LBPRGKRZSA-N 1 1 363.439 3.139 20 10 FGCDMO OC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779014223 724380912 /nfs/dbraw/zinc/38/09/12/724380912.db2.gz JOJBTRQITWCBQJ-SFHVURJKSA-N 1 1 364.848 3.036 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000072878852 494274462 /nfs/dbraw/zinc/27/44/62/494274462.db2.gz QFXZVDDXQNVSDP-UHFFFAOYSA-N 1 1 368.506 3.378 20 10 FGCDMO COC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(C)C ZINC000580276277 505719862 /nfs/dbraw/zinc/71/98/62/505719862.db2.gz LLJRVUBSRLEMCL-LJQANCHMSA-N 1 1 371.525 3.195 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000092645122 494693774 /nfs/dbraw/zinc/69/37/74/494693774.db2.gz OXBKMHAMLIRIAC-UHFFFAOYSA-N 1 1 352.526 3.287 20 10 FGCDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092010338 494754643 /nfs/dbraw/zinc/75/46/43/494754643.db2.gz FQJJUQJBEJYRHX-CTNGQTDRSA-N 1 1 368.525 3.356 20 10 FGCDMO Cc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)n1-c1ccccn1 ZINC000119230814 495122910 /nfs/dbraw/zinc/12/29/10/495122910.db2.gz FKQURGCJFYJTGV-IEBWSBKVSA-N 1 1 352.482 3.045 20 10 FGCDMO C[C@@H]1C[C@@H](CNC(=O)N(C)Cc2ccccc2O)C[N@H+]1Cc1ccccc1 ZINC000119324475 495141931 /nfs/dbraw/zinc/14/19/31/495141931.db2.gz LVZBSOFJAIQNOY-MJGOQNOKSA-N 1 1 367.493 3.444 20 10 FGCDMO COc1ccc([C@H](CCO)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000182394610 495547064 /nfs/dbraw/zinc/54/70/64/495547064.db2.gz LQTPWLZAWLNYOX-SFHVURJKSA-N 1 1 363.841 3.470 20 10 FGCDMO COc1cc(O)c(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OC ZINC000179716272 495702298 /nfs/dbraw/zinc/70/22/98/495702298.db2.gz BXQDARRRWURXOK-UHFFFAOYSA-N 1 1 372.465 3.405 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OC ZINC000179716272 495702304 /nfs/dbraw/zinc/70/23/04/495702304.db2.gz BXQDARRRWURXOK-UHFFFAOYSA-N 1 1 372.465 3.405 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CCCO1 ZINC000160198106 495906755 /nfs/dbraw/zinc/90/67/55/495906755.db2.gz UOOWEKGMPXYOOF-IBGZPJMESA-N 1 1 364.449 3.359 20 10 FGCDMO Cc1[nH+]ccn1CCCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000173437519 496694096 /nfs/dbraw/zinc/69/40/96/496694096.db2.gz PUDZBTOOKGJNPL-UHFFFAOYSA-N 1 1 356.470 3.056 20 10 FGCDMO O=C1C[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)CN1Cc1ccccc1 ZINC000191494546 496783445 /nfs/dbraw/zinc/78/34/45/496783445.db2.gz VIUIOVXONCIKSB-CQSZACIVSA-N 1 1 362.832 3.323 20 10 FGCDMO COc1c(O)c(C[NH2+]Cc2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000278608758 497166072 /nfs/dbraw/zinc/16/60/72/497166072.db2.gz DNHHWGVYGVGNML-UHFFFAOYSA-N 1 1 372.299 3.497 20 10 FGCDMO COc1ccc([C@@H]2[C@H](CNC(=O)Cc3ccc(N)cc3)CCC[N@H+]2C)cc1 ZINC000237304962 497217868 /nfs/dbraw/zinc/21/78/68/497217868.db2.gz MVRSLLICLAIDFE-PGRDOPGGSA-N 1 1 367.493 3.019 20 10 FGCDMO COc1cc(O)c(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000192921209 497247804 /nfs/dbraw/zinc/24/78/04/497247804.db2.gz WYSRRPHPKZZPFE-QGZVFWFLSA-N 1 1 356.466 3.021 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000275795937 497433494 /nfs/dbraw/zinc/43/34/94/497433494.db2.gz XSJKJOOOBOTKND-LBPRGKRZSA-N 1 1 374.403 3.104 20 10 FGCDMO COc1cc(C[N@@H+](Cc2cc(OC)c(OC)cc2O)C2CC2)ccc1O ZINC000276804432 497658963 /nfs/dbraw/zinc/65/89/63/497658963.db2.gz WJOJFPDDGGZPDL-UHFFFAOYSA-N 1 1 359.422 3.288 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@H](C)OC4(CCOCC4)C3)cc2)CC1 ZINC000295941914 497862838 /nfs/dbraw/zinc/86/28/38/497862838.db2.gz HZCVOVYFHPIRIM-SFHVURJKSA-N 1 1 374.525 3.072 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+](CCCO)Cc2ccccn2)c1O ZINC000289392940 498130656 /nfs/dbraw/zinc/13/06/56/498130656.db2.gz FEOMLMZMMHWDBP-UHFFFAOYSA-N 1 1 365.271 3.243 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)ccc1[N+](=O)[O-] ZINC000292850001 498170334 /nfs/dbraw/zinc/17/03/34/498170334.db2.gz TZLPHANFFUJABL-MGPLVRAMSA-N 1 1 364.423 3.163 20 10 FGCDMO CC[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)cc1O ZINC000285932253 498244739 /nfs/dbraw/zinc/24/47/39/498244739.db2.gz CYGFBMAKDOXVIF-MSOLQXFVSA-N 1 1 357.429 3.158 20 10 FGCDMO CCn1cnnc1[C@@H]1C[N@@H+]([C@H](C)c2ccc(N3CCCCC3)cc2)CCO1 ZINC000365307620 498397623 /nfs/dbraw/zinc/39/76/23/498397623.db2.gz OUQIPUDZKZYRKL-XLIONFOSSA-N 1 1 369.513 3.423 20 10 FGCDMO CCn1cnnc1[C@@H]1C[N@H+]([C@H](C)c2ccc(N3CCCCC3)cc2)CCO1 ZINC000365307620 498397627 /nfs/dbraw/zinc/39/76/27/498397627.db2.gz OUQIPUDZKZYRKL-XLIONFOSSA-N 1 1 369.513 3.423 20 10 FGCDMO CC(C)(C)C(=O)N1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000362354478 498502506 /nfs/dbraw/zinc/50/25/06/498502506.db2.gz UHIZGHIHENPRRU-UHFFFAOYSA-N 1 1 369.303 3.235 20 10 FGCDMO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000362354478 498502510 /nfs/dbraw/zinc/50/25/10/498502510.db2.gz UHIZGHIHENPRRU-UHFFFAOYSA-N 1 1 369.303 3.235 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ncccn3)no2)C1 ZINC000572882454 506074101 /nfs/dbraw/zinc/07/41/01/506074101.db2.gz SLMSULZMMRAYHO-UHFFFAOYSA-N 1 1 374.448 3.296 20 10 FGCDMO CC(=O)N1CCC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CC1 ZINC000294616296 498750419 /nfs/dbraw/zinc/75/04/19/498750419.db2.gz XIYXOFORDXAKOR-UHFFFAOYSA-N 1 1 357.523 3.439 20 10 FGCDMO CCOCc1cc(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)ccc1OC ZINC000363442023 498823731 /nfs/dbraw/zinc/82/37/31/498823731.db2.gz LNNITMQUPFRAIA-HNNXBMFYSA-N 1 1 358.486 3.400 20 10 FGCDMO COCCOCc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)cc1 ZINC000291360169 498909067 /nfs/dbraw/zinc/90/90/67/498909067.db2.gz XYLNZHXEOKWWIP-HNNXBMFYSA-N 1 1 373.449 3.193 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000372617034 499154592 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Fc1cc(F)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(F)c1F ZINC000797469335 723823422 /nfs/dbraw/zinc/82/34/22/723823422.db2.gz ZDDBGNUAZJGPOH-UHFFFAOYSA-N 1 1 354.347 3.369 20 10 FGCDMO COc1c(O)c(C[NH2+]CCCCc2nc(C)cs2)ccc1[N+](=O)[O-] ZINC000775004382 723950803 /nfs/dbraw/zinc/95/08/03/723950803.db2.gz NAVVMJYZTWPULL-UHFFFAOYSA-N 1 1 351.428 3.186 20 10 FGCDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000786578082 724989580 /nfs/dbraw/zinc/98/95/80/724989580.db2.gz GPFZYUKQCVIQAY-UGFHNGPFSA-N 1 1 368.271 3.237 20 10 FGCDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000786578082 724989581 /nfs/dbraw/zinc/98/95/81/724989581.db2.gz GPFZYUKQCVIQAY-UGFHNGPFSA-N 1 1 368.271 3.237 20 10 FGCDMO Cc1cc(Br)c(O)c(CNc2c[nH+]ccc2-n2ccnn2)c1 ZINC000808426992 725200572 /nfs/dbraw/zinc/20/05/72/725200572.db2.gz ZZXFYNFXCOAHDW-UHFFFAOYSA-N 1 1 360.215 3.051 20 10 FGCDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000809696305 725259532 /nfs/dbraw/zinc/25/95/32/725259532.db2.gz GTNSLEVLXMIYGF-CQSZACIVSA-N 1 1 351.752 3.281 20 10 FGCDMO CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216930 725297332 /nfs/dbraw/zinc/29/73/32/725297332.db2.gz STPVGMCCNYEDKE-BBRMVZONSA-N 1 1 359.436 3.088 20 10 FGCDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810262038 725300454 /nfs/dbraw/zinc/30/04/54/725300454.db2.gz IRMONKLLIAUBKV-IRXDYDNUSA-N 1 1 351.510 3.433 20 10 FGCDMO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000810262038 725300456 /nfs/dbraw/zinc/30/04/56/725300456.db2.gz IRMONKLLIAUBKV-IRXDYDNUSA-N 1 1 351.510 3.433 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1O ZINC000812883717 726820176 /nfs/dbraw/zinc/82/01/76/726820176.db2.gz YCXSXNLRMOTZLI-FQEVSTJZSA-N 1 1 359.853 3.384 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1O ZINC000812883717 726820180 /nfs/dbraw/zinc/82/01/80/726820180.db2.gz YCXSXNLRMOTZLI-FQEVSTJZSA-N 1 1 359.853 3.384 20 10 FGCDMO COc1cc(OC)cc([C@H](O)C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816550152 727174073 /nfs/dbraw/zinc/17/40/73/727174073.db2.gz JMXGMQBZSPKNAB-QGZVFWFLSA-N 1 1 355.793 3.025 20 10 FGCDMO COc1ccc(N2CC[C@@H](CNc3cc[nH+]cc3Br)C2)cc1 ZINC000819936923 728955386 /nfs/dbraw/zinc/95/53/86/728955386.db2.gz XPBONOXUGYNRNS-ZDUSSCGKSA-N 1 1 362.271 3.213 20 10 FGCDMO C[C@H](C[N@@H+](C)Cc1ccc(N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000823371847 729272750 /nfs/dbraw/zinc/27/27/50/729272750.db2.gz NEHLKKMJPAMNEV-MRXNPFEDSA-N 1 1 360.523 3.392 20 10 FGCDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000823448468 729281765 /nfs/dbraw/zinc/28/17/65/729281765.db2.gz WWLAHMKOKDMDSD-KRWDZBQOSA-N 1 1 357.523 3.343 20 10 FGCDMO Cc1cc(O)c(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000824530222 729345712 /nfs/dbraw/zinc/34/57/12/729345712.db2.gz WLTXPKICRNUHMV-GFCCVEGCSA-N 1 1 368.886 3.194 20 10 FGCDMO COc1c(O)c(C[NH2+]CCOc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000824589845 729349329 /nfs/dbraw/zinc/34/93/29/729349329.db2.gz HYPTUZADHLNVIG-UHFFFAOYSA-N 1 1 370.764 3.270 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000824715789 729356296 /nfs/dbraw/zinc/35/62/96/729356296.db2.gz NOBOUCRXUJIXSM-RRFJBIMHSA-N 1 1 370.287 3.289 20 10 FGCDMO Cc1cc(O)c(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1Cl ZINC000825927924 729399765 /nfs/dbraw/zinc/39/97/65/729399765.db2.gz KOCAYDCPBPVMOE-JWTNVVGKSA-N 1 1 363.933 3.097 20 10 FGCDMO Cc1ccoc1CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830543951 729570202 /nfs/dbraw/zinc/57/02/02/729570202.db2.gz IXHWMTSECYGJJQ-INIZCTEOSA-N 1 1 362.857 3.270 20 10 FGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000835055502 729853573 /nfs/dbraw/zinc/85/35/73/729853573.db2.gz VDPHJVBPDZXIHV-OSJSJHBBSA-N 1 1 351.441 3.002 20 10 FGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1 ZINC000835055502 729853575 /nfs/dbraw/zinc/85/35/75/729853575.db2.gz VDPHJVBPDZXIHV-OSJSJHBBSA-N 1 1 351.441 3.002 20 10 FGCDMO Cc1cc(O)c(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(Cl)c1 ZINC000840947888 730195498 /nfs/dbraw/zinc/19/54/98/730195498.db2.gz BNIWYGUMDSNHHB-SJPCQFCGSA-N 1 1 363.933 3.097 20 10 FGCDMO F[C@@H]1CN[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000841079157 730208410 /nfs/dbraw/zinc/20/84/10/730208410.db2.gz LPAVQVXYLZYRJX-GJZGRUSLSA-N 1 1 370.310 3.229 20 10 FGCDMO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)c1O ZINC000848551319 731180202 /nfs/dbraw/zinc/18/02/02/731180202.db2.gz JPKAYTQVFHVRCO-KOLCDFICSA-N 1 1 366.259 3.095 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000850395870 731351949 /nfs/dbraw/zinc/35/19/49/731351949.db2.gz CSLOICJZVFZZRM-LBPRGKRZSA-N 1 1 369.303 3.200 20 10 FGCDMO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1O ZINC000850485409 731361968 /nfs/dbraw/zinc/36/19/68/731361968.db2.gz HJZWLEVXJNGBGL-LLVKDONJSA-N 1 1 365.417 3.277 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)ccc1[O-] ZINC000850506874 731366531 /nfs/dbraw/zinc/36/65/31/731366531.db2.gz CJRHDBIKYFNIDE-RDTXWAMCSA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)ccc1[O-] ZINC000850506874 731366534 /nfs/dbraw/zinc/36/65/34/731366534.db2.gz CJRHDBIKYFNIDE-RDTXWAMCSA-N 1 1 360.885 3.463 20 10 FGCDMO CO[C@H](CC(C)C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000857471838 732133055 /nfs/dbraw/zinc/13/30/55/732133055.db2.gz CCDSSWCJFMKGIR-FUHWJXTLSA-N 1 1 368.905 3.187 20 10 FGCDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862228418 732790259 /nfs/dbraw/zinc/79/02/59/732790259.db2.gz QUWDWCITJXTUIF-UHFFFAOYSA-N 1 1 353.457 3.110 20 10 FGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCCN(c3nccs3)CC2)cc1F ZINC000862233839 732792030 /nfs/dbraw/zinc/79/20/30/732792030.db2.gz VJNZDCIZAYUODC-UHFFFAOYSA-N 1 1 352.454 3.200 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CCCN(c3nccs3)CC2)cc1F ZINC000862233839 732792034 /nfs/dbraw/zinc/79/20/34/732792034.db2.gz VJNZDCIZAYUODC-UHFFFAOYSA-N 1 1 352.454 3.200 20 10 FGCDMO OCC[N@@H+](CCc1ccccc1)Cc1c(O)cccc1Br ZINC000862244396 732796074 /nfs/dbraw/zinc/79/60/74/732796074.db2.gz ALGXXIJMYFSJOY-UHFFFAOYSA-N 1 1 350.256 3.192 20 10 FGCDMO Oc1cccc(Br)c1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000862367519 732817227 /nfs/dbraw/zinc/81/72/27/732817227.db2.gz LJWRSCHCJHIQHM-UHFFFAOYSA-N 1 1 366.234 3.011 20 10 FGCDMO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)on1 ZINC000866516104 733359464 /nfs/dbraw/zinc/35/94/64/733359464.db2.gz QBZHYXXGCLIWGO-VIFPVBQESA-N 1 1 358.316 3.427 20 10 FGCDMO O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1Cc2cccc(O)c2C1 ZINC000871200931 733921442 /nfs/dbraw/zinc/92/14/42/733921442.db2.gz NIUPUYJSZFPMPC-LJQANCHMSA-N 1 1 354.475 3.025 20 10 FGCDMO NS(=O)(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)s1 ZINC000876722207 736136592 /nfs/dbraw/zinc/13/65/92/736136592.db2.gz PTSULHFEYKJOMV-UHFFFAOYSA-N 1 1 366.508 3.046 20 10 FGCDMO CO[C@@H]1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)Cc3cccnc3N2C1 ZINC000877687619 736704751 /nfs/dbraw/zinc/70/47/51/736704751.db2.gz KRCTUCJNMVVDAG-IAGOWNOFSA-N 1 1 359.857 3.050 20 10 FGCDMO CO[C@H]1C[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)Cc3cccnc3N2C1 ZINC000877687897 736705020 /nfs/dbraw/zinc/70/50/20/736705020.db2.gz NFAMACDFUJXEJN-CABCVRRESA-N 1 1 359.857 3.050 20 10 FGCDMO COc1c(O)c(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)ccc1[N+](=O)[O-] ZINC000877697531 736707419 /nfs/dbraw/zinc/70/74/19/736707419.db2.gz JZJZALYRPAWFCT-HNNXBMFYSA-N 1 1 350.415 3.138 20 10 FGCDMO [O-]c1c(F)cc(Br)cc1CNCc1nccn1C(F)F ZINC000882933766 737504652 /nfs/dbraw/zinc/50/46/52/737504652.db2.gz OINJBJKSPZFMRV-UHFFFAOYSA-N 1 1 350.138 3.175 20 10 FGCDMO C[C@](CO)([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(Br)cc1 ZINC000883117525 737525947 /nfs/dbraw/zinc/52/59/47/737525947.db2.gz BEKAJJAEUSREQV-MRXNPFEDSA-N 1 1 372.209 3.430 20 10 FGCDMO C[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000886520396 739264854 /nfs/dbraw/zinc/26/48/54/739264854.db2.gz DAAUAUNHQMAHGX-CHWSQXEVSA-N 1 1 366.458 3.193 20 10 FGCDMO COc1c(O)c(C[N@H+]2CC[C@H](Cc3nc(C)cs3)C2)ccc1[N+](=O)[O-] ZINC000897298755 742665535 /nfs/dbraw/zinc/66/55/35/742665535.db2.gz IFSFDUSACDUIRP-GFCCVEGCSA-N 1 1 363.439 3.139 20 10 FGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897614042 742695306 /nfs/dbraw/zinc/69/53/06/742695306.db2.gz LZGMASKWAMAUNI-VIFPVBQESA-N 1 1 359.298 3.469 20 10 FGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897614042 742695309 /nfs/dbraw/zinc/69/53/09/742695309.db2.gz LZGMASKWAMAUNI-VIFPVBQESA-N 1 1 359.298 3.469 20 10 FGCDMO FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000916836163 758143127 /nfs/dbraw/zinc/14/31/27/758143127.db2.gz CNJSYYUMQHNYCC-QGZVFWFLSA-N 1 1 358.404 3.067 20 10 FGCDMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000922389217 758910061 /nfs/dbraw/zinc/91/00/61/758910061.db2.gz SIGXTKAONBNISJ-JOCBIADPSA-N 1 1 373.324 3.268 20 10 FGCDMO COc1cccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1O ZINC000092453560 494630903 /nfs/dbraw/zinc/63/09/03/494630903.db2.gz ODPGZYURYDQANH-UHFFFAOYSA-N 1 1 374.868 3.402 20 10 FGCDMO CCOc1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1O ZINC000091920886 494721982 /nfs/dbraw/zinc/72/19/82/494721982.db2.gz JIACHBOCBLGJQH-CVEARBPZSA-N 1 1 363.479 3.177 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1O ZINC000091920886 494721988 /nfs/dbraw/zinc/72/19/88/494721988.db2.gz JIACHBOCBLGJQH-CVEARBPZSA-N 1 1 363.479 3.177 20 10 FGCDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000093685092 494912490 /nfs/dbraw/zinc/91/24/90/494912490.db2.gz YXECJYMFGWZTQE-AWEZNQCLSA-N 1 1 374.403 3.024 20 10 FGCDMO C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000127587193 494966820 /nfs/dbraw/zinc/96/68/20/494966820.db2.gz KYHRXEISKRBGFQ-VQTJNVASSA-N 1 1 358.574 3.354 20 10 FGCDMO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1O ZINC000179527083 495628916 /nfs/dbraw/zinc/62/89/16/495628916.db2.gz FVAPPEBYRLRCHS-KRWDZBQOSA-N 1 1 354.450 3.000 20 10 FGCDMO CCOCc1cc(C[NH2+]Cc2nc3cc(OC)ccc3n2C)ccc1OC ZINC000185831498 495741913 /nfs/dbraw/zinc/74/19/13/495741913.db2.gz NGXMNCCCTPXZOE-UHFFFAOYSA-N 1 1 369.465 3.417 20 10 FGCDMO COc1ccc(O)c([C@@H](C)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c1 ZINC000186349886 495959626 /nfs/dbraw/zinc/95/96/26/495959626.db2.gz UAWOZILMKPEPNV-AUUYWEPGSA-N 1 1 369.465 3.024 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278448905 497117979 /nfs/dbraw/zinc/11/79/79/497117979.db2.gz XNOLMOOQXTYTMF-YMTOWFKASA-N 1 1 353.768 3.189 20 10 FGCDMO COc1c([O-])c(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000278475935 497128150 /nfs/dbraw/zinc/12/81/50/497128150.db2.gz ILYUSQKICNGRMP-DZGCQCFKSA-N 1 1 363.458 3.052 20 10 FGCDMO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cc(Cl)c(Cl)cc1O ZINC000193108003 497304245 /nfs/dbraw/zinc/30/42/45/497304245.db2.gz LDIFGNJBZUEQRM-MNOVXSKESA-N 1 1 362.253 3.272 20 10 FGCDMO COc1cccc(C[N@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000272646225 497689088 /nfs/dbraw/zinc/68/90/88/497689088.db2.gz PAGHTWQVKRZXAP-KBPBESRZSA-N 1 1 350.459 3.136 20 10 FGCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000272949502 497768943 /nfs/dbraw/zinc/76/89/43/497768943.db2.gz MPDNCHUWWXDVKX-KRWDZBQOSA-N 1 1 358.530 3.323 20 10 FGCDMO C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1=CC[N@@H+](C)CC1 ZINC000273024140 497785708 /nfs/dbraw/zinc/78/57/08/497785708.db2.gz UFPOECQMOUNFDF-MRXNPFEDSA-N 1 1 356.514 3.077 20 10 FGCDMO CC[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)cc1O ZINC000285932262 498245149 /nfs/dbraw/zinc/24/51/49/498245149.db2.gz CYGFBMAKDOXVIF-ROUUACIJSA-N 1 1 357.429 3.158 20 10 FGCDMO CC[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)cc1O ZINC000285932266 498245185 /nfs/dbraw/zinc/24/51/85/498245185.db2.gz CYGFBMAKDOXVIF-ZWKOTPCHSA-N 1 1 357.429 3.158 20 10 FGCDMO CCN(CC)c1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000297058831 498306520 /nfs/dbraw/zinc/30/65/20/498306520.db2.gz NMOULXXCYHLNTH-ALOPSCKCSA-N 1 1 362.493 3.096 20 10 FGCDMO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1ccc(F)cc1O ZINC000286154436 498307863 /nfs/dbraw/zinc/30/78/63/498307863.db2.gz OYYACSDVXLIROJ-QGZVFWFLSA-N 1 1 372.506 3.022 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)C[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000365711449 498609419 /nfs/dbraw/zinc/60/94/19/498609419.db2.gz FAGVCWLGGUWDEL-NRFANRHFSA-N 1 1 358.457 3.469 20 10 FGCDMO Cc1cnc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)o1 ZINC000572943824 506088866 /nfs/dbraw/zinc/08/88/66/506088866.db2.gz KFTDRYTXVSZRAW-UHFFFAOYSA-N 1 1 366.465 3.021 20 10 FGCDMO Oc1ccc(Cl)cc1C[NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000364030811 499092824 /nfs/dbraw/zinc/09/28/24/499092824.db2.gz FFACQOYYBGLBJZ-SNVBAGLBSA-N 1 1 360.767 3.052 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CC[N@@H+](C)[C@H]4C3)ccc21 ZINC000368588870 499310614 /nfs/dbraw/zinc/31/06/14/499310614.db2.gz HHEDLBSXZNVHCQ-UWJYYQICSA-N 1 1 369.509 3.071 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000368794218 499333297 /nfs/dbraw/zinc/33/32/97/499333297.db2.gz AIHFLPZBYZGMCH-AWEZNQCLSA-N 1 1 360.479 3.371 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CCCc3cccnc32)cc1 ZINC000369042396 499359827 /nfs/dbraw/zinc/35/98/27/499359827.db2.gz UVHPMJYCUATLFR-FQEVSTJZSA-N 1 1 366.509 3.115 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CCCc3cccnc32)cc1 ZINC000369042396 499359828 /nfs/dbraw/zinc/35/98/28/499359828.db2.gz UVHPMJYCUATLFR-FQEVSTJZSA-N 1 1 366.509 3.115 20 10 FGCDMO CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000369120569 499367608 /nfs/dbraw/zinc/36/76/08/499367608.db2.gz VQUJSMBWQNWRTQ-DLBZAZTESA-N 1 1 362.493 3.098 20 10 FGCDMO CCCn1c(C)nnc1C[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000372338747 499422563 /nfs/dbraw/zinc/42/25/63/499422563.db2.gz KKPAHINVJZKXSL-UHFFFAOYSA-N 1 1 357.502 3.106 20 10 FGCDMO CCCn1c(C)nnc1C[N@@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000372338747 499422564 /nfs/dbraw/zinc/42/25/64/499422564.db2.gz KKPAHINVJZKXSL-UHFFFAOYSA-N 1 1 357.502 3.106 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCc3sc(C)nc32)ccc1[N+](=O)[O-] ZINC000373508966 499474034 /nfs/dbraw/zinc/47/40/34/499474034.db2.gz NCMIPPHABRRHRQ-NSHDSACASA-N 1 1 363.439 3.284 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000375256975 499499924 /nfs/dbraw/zinc/49/99/24/499499924.db2.gz WJWJFTFGDMOMMZ-OAHLLOKOSA-N 1 1 372.440 3.449 20 10 FGCDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000378378359 499509034 /nfs/dbraw/zinc/50/90/34/499509034.db2.gz PQMLICYMUHAFDA-YADHBBJMSA-N 1 1 368.525 3.499 20 10 FGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCN(C(=O)c3ccncc3)CC2)c1O ZINC000378439306 499516530 /nfs/dbraw/zinc/51/65/30/499516530.db2.gz OJZYBDPOBNUFID-UHFFFAOYSA-N 1 1 359.857 3.097 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)ccc1[N+](=O)[O-] ZINC000375528039 499528792 /nfs/dbraw/zinc/52/87/92/499528792.db2.gz HRQOHGUSDLXVQS-KHYOSLBOSA-N 1 1 364.442 3.215 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)ccc1[N+](=O)[O-] ZINC000375528039 499528794 /nfs/dbraw/zinc/52/87/94/499528794.db2.gz HRQOHGUSDLXVQS-KHYOSLBOSA-N 1 1 364.442 3.215 20 10 FGCDMO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000375933571 499569587 /nfs/dbraw/zinc/56/95/87/499569587.db2.gz RTABABPCNASGCR-CPJLOUKISA-N 1 1 359.491 3.314 20 10 FGCDMO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000375933571 499569588 /nfs/dbraw/zinc/56/95/88/499569588.db2.gz RTABABPCNASGCR-CPJLOUKISA-N 1 1 359.491 3.314 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376575470 499619921 /nfs/dbraw/zinc/61/99/21/499619921.db2.gz VCOGXCQYVATWNJ-CHWSQXEVSA-N 1 1 358.269 3.125 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376575470 499619923 /nfs/dbraw/zinc/61/99/23/499619923.db2.gz VCOGXCQYVATWNJ-CHWSQXEVSA-N 1 1 358.269 3.125 20 10 FGCDMO CC[C@@H](c1ccccc1O)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 ZINC000377626109 499712158 /nfs/dbraw/zinc/71/21/58/499712158.db2.gz MXJZIRJVTLSVOR-ZOBUZTSGSA-N 1 1 362.449 3.079 20 10 FGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000377936356 499749400 /nfs/dbraw/zinc/74/94/00/499749400.db2.gz DUXYRLHYIWCAHW-LJQANCHMSA-N 1 1 352.482 3.409 20 10 FGCDMO CCCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000488836094 502821721 /nfs/dbraw/zinc/82/17/21/502821721.db2.gz HZYPUWYIRGWVKJ-UHFFFAOYSA-N 1 1 359.514 3.366 20 10 FGCDMO C[C@@H]([NH2+]Cc1cccc(Br)c1O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135357 598274680 /nfs/dbraw/zinc/27/46/80/598274680.db2.gz PNKXBEGAFNIEPV-SNVBAGLBSA-N 1 1 374.242 3.186 20 10 FGCDMO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(C)cc(OC)c1O ZINC000825318295 607846156 /nfs/dbraw/zinc/84/61/56/607846156.db2.gz KYLKFAVNTVOQNC-UHFFFAOYSA-N 1 1 367.453 3.302 20 10 FGCDMO Fc1cc(C[NH+]2CCN(c3cccs3)CC2)ccc1N1CCOCC1 ZINC000093692173 700453528 /nfs/dbraw/zinc/45/35/28/700453528.db2.gz FUVSLBBTUIJSPK-UHFFFAOYSA-N 1 1 361.486 3.046 20 10 FGCDMO Cc1ccnc(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)c1 ZINC000120883376 700661805 /nfs/dbraw/zinc/66/18/05/700661805.db2.gz GJTOYWNDLXGBHQ-UHFFFAOYSA-N 1 1 362.271 3.180 20 10 FGCDMO CSCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262973 704818584 /nfs/dbraw/zinc/81/85/84/704818584.db2.gz BNJGKPPJIXDUPF-OAHLLOKOSA-N 1 1 356.919 3.269 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1O ZINC000185109282 712684459 /nfs/dbraw/zinc/68/44/59/712684459.db2.gz CSOWNXPZUSAFJO-QWHCGFSZSA-N 1 1 366.458 3.193 20 10 FGCDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCSc1nccs1 ZINC000247531465 713641724 /nfs/dbraw/zinc/64/17/24/713641724.db2.gz JNQHOOMYQZNZRF-KGLIPLIRSA-N 1 1 356.561 3.045 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC000779206745 724399903 /nfs/dbraw/zinc/39/99/03/724399903.db2.gz BRSZBWKHGDXAIO-UHFFFAOYSA-N 1 1 350.203 3.055 20 10 FGCDMO CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c1 ZINC000769396425 723684300 /nfs/dbraw/zinc/68/43/00/723684300.db2.gz LEXNSPFUWLPRKN-AWEZNQCLSA-N 1 1 350.459 3.232 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c1 ZINC000769396425 723684301 /nfs/dbraw/zinc/68/43/01/723684301.db2.gz LEXNSPFUWLPRKN-AWEZNQCLSA-N 1 1 350.459 3.232 20 10 FGCDMO C[NH+](C)[C@@H](C(=O)NCc1cc(Br)ccc1O)c1ccccc1 ZINC000804734283 724546216 /nfs/dbraw/zinc/54/62/16/724546216.db2.gz HKMUUNYIBTWXHQ-MRXNPFEDSA-N 1 1 363.255 3.074 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722409454 722420397 /nfs/dbraw/zinc/42/03/97/722420397.db2.gz ONVWYVOQXHVOPZ-KOLCDFICSA-N 1 1 354.166 3.354 20 10 FGCDMO COc1ccc(N2CCC[N@@H+](CC[S@](=O)c3ccccc3)CC2)cc1 ZINC000729473446 722459820 /nfs/dbraw/zinc/45/98/20/722459820.db2.gz DMRUGCQTLFZBBZ-VWLOTQADSA-N 1 1 358.507 3.015 20 10 FGCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCc2ccc(Cl)cc2)cc1 ZINC000733313450 722495452 /nfs/dbraw/zinc/49/54/52/722495452.db2.gz SULGDNIIPNMVRI-UHFFFAOYSA-N 1 1 359.901 3.197 20 10 FGCDMO Oc1cc2c(cc1C[N@@H+]1CCc3cccc(Br)c3C1)OCO2 ZINC000735666428 722518218 /nfs/dbraw/zinc/51/82/18/722518218.db2.gz NDYVSVXZDFYNNU-UHFFFAOYSA-N 1 1 362.223 3.442 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCc3cccc(Br)c3C1)OCO2 ZINC000735666428 722518219 /nfs/dbraw/zinc/51/82/19/722518219.db2.gz NDYVSVXZDFYNNU-UHFFFAOYSA-N 1 1 362.223 3.442 20 10 FGCDMO COc1ccc(N2CC[NH+](CCNc3ncc(Cl)cc3F)CC2)cc1 ZINC000750788324 722780982 /nfs/dbraw/zinc/78/09/82/722780982.db2.gz JNILZGWBEOIVNX-UHFFFAOYSA-N 1 1 364.852 3.117 20 10 FGCDMO C[NH+](C)C[C@@](C)(O)CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000752110409 722845441 /nfs/dbraw/zinc/84/54/41/722845441.db2.gz FEMPSOIMGSQJMU-NRFANRHFSA-N 1 1 350.547 3.389 20 10 FGCDMO CC(=O)NC1CCC([N@@H+](C)Cc2cc(Br)cc(C)c2O)CC1 ZINC000753592187 722905795 /nfs/dbraw/zinc/90/57/95/722905795.db2.gz RUPYOWGVURPIEC-UHFFFAOYSA-N 1 1 369.303 3.342 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000753593665 722906143 /nfs/dbraw/zinc/90/61/43/722906143.db2.gz FLSGURRPPGNLTQ-AWEZNQCLSA-N 1 1 370.287 3.438 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000753593665 722906144 /nfs/dbraw/zinc/90/61/44/722906144.db2.gz FLSGURRPPGNLTQ-AWEZNQCLSA-N 1 1 370.287 3.438 20 10 FGCDMO COC(=O)c1sccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000755944404 722958813 /nfs/dbraw/zinc/95/88/13/722958813.db2.gz YPSQMLOLGQXBQF-INIZCTEOSA-N 1 1 361.463 3.422 20 10 FGCDMO COC(=O)c1sccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000755944404 722958814 /nfs/dbraw/zinc/95/88/14/722958814.db2.gz YPSQMLOLGQXBQF-INIZCTEOSA-N 1 1 361.463 3.422 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)cc1F ZINC000790930117 723194813 /nfs/dbraw/zinc/19/48/13/723194813.db2.gz JYLUDRGWGZSQJI-MRXNPFEDSA-N 1 1 350.478 3.442 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)cc1F ZINC000790930117 723194816 /nfs/dbraw/zinc/19/48/16/723194816.db2.gz JYLUDRGWGZSQJI-MRXNPFEDSA-N 1 1 350.478 3.442 20 10 FGCDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(NS(C)(=O)=O)c1 ZINC000790962546 723199684 /nfs/dbraw/zinc/19/96/84/723199684.db2.gz QJLJHFOSZJREEM-SNVBAGLBSA-N 1 1 372.849 3.407 20 10 FGCDMO Cc1cc(Cl)cc(C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)c1O ZINC000763620433 723356480 /nfs/dbraw/zinc/35/64/80/723356480.db2.gz RBPKJBJIZQCAEU-UHFFFAOYSA-N 1 1 371.790 3.489 20 10 FGCDMO C[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766274090 723565733 /nfs/dbraw/zinc/56/57/33/723565733.db2.gz SUMGHDTXSSNMHK-JKSUJKDBSA-N 1 1 351.922 3.312 20 10 FGCDMO C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766274090 723565735 /nfs/dbraw/zinc/56/57/35/723565735.db2.gz SUMGHDTXSSNMHK-JKSUJKDBSA-N 1 1 351.922 3.312 20 10 FGCDMO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(F)cc1O ZINC000796766126 723653963 /nfs/dbraw/zinc/65/39/63/723653963.db2.gz SVHPOEHAIOYAIN-SJKOYZFVSA-N 1 1 355.356 3.290 20 10 FGCDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc3c(cc1O)OC[C@H]3O)CCC2 ZINC000768463776 723658419 /nfs/dbraw/zinc/65/84/19/723658419.db2.gz WWNCPDRSLGZRSK-GOEBONIOSA-N 1 1 360.479 3.346 20 10 FGCDMO CCOc1ccc(O)c(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000769148783 723678033 /nfs/dbraw/zinc/67/80/33/723678033.db2.gz RXZQEZFONOCTRQ-AWEZNQCLSA-N 1 1 350.459 3.232 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000769148783 723678034 /nfs/dbraw/zinc/67/80/34/723678034.db2.gz RXZQEZFONOCTRQ-AWEZNQCLSA-N 1 1 350.459 3.232 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1F ZINC000769196818 723679301 /nfs/dbraw/zinc/67/93/01/723679301.db2.gz ZNSOQKGBFROJPZ-OAHLLOKOSA-N 1 1 351.466 3.238 20 10 FGCDMO CCc1nsc(N2CCC[N@H+](Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000769549796 723689422 /nfs/dbraw/zinc/68/94/22/723689422.db2.gz WWOYBDJEVLBRIY-UHFFFAOYSA-N 1 1 363.506 3.018 20 10 FGCDMO CCc1nsc(N2CCC[N@@H+](Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000769549796 723689423 /nfs/dbraw/zinc/68/94/23/723689423.db2.gz WWOYBDJEVLBRIY-UHFFFAOYSA-N 1 1 363.506 3.018 20 10 FGCDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000769548191 723689487 /nfs/dbraw/zinc/68/94/87/723689487.db2.gz HVTCYFDJRDCCFR-ICSRJNTNSA-N 1 1 350.478 3.298 20 10 FGCDMO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1F ZINC000774957314 723945309 /nfs/dbraw/zinc/94/53/09/723945309.db2.gz VQEMFLYSDRDYGF-JTQLQIEISA-N 1 1 350.346 3.308 20 10 FGCDMO Cn1cc(C[NH2+]Cc2cccc(Br)c2O)c(-c2cccnc2)n1 ZINC000775145032 723963570 /nfs/dbraw/zinc/96/35/70/723963570.db2.gz HLMFXMVQTGDGJK-UHFFFAOYSA-N 1 1 373.254 3.240 20 10 FGCDMO Cn1cc(C[NH2+]Cc2cccc(Br)c2O)c(-c2ccncc2)n1 ZINC000775152713 723964937 /nfs/dbraw/zinc/96/49/37/723964937.db2.gz PJNSGNUKSQAUCZ-UHFFFAOYSA-N 1 1 373.254 3.240 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000775152092 723964967 /nfs/dbraw/zinc/96/49/67/723964967.db2.gz KASVTDMHMOQLBV-UHFFFAOYSA-N 1 1 359.227 3.230 20 10 FGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000775175030 723968468 /nfs/dbraw/zinc/96/84/68/723968468.db2.gz FKTHCSFSMYVVQH-INIZCTEOSA-N 1 1 358.276 3.290 20 10 FGCDMO CN(Cc1ccc(N2CCOCC2)cc1)c1cc[nH+]cc1Br ZINC000775419662 723990229 /nfs/dbraw/zinc/99/02/29/723990229.db2.gz HOTKEYLXJAAKPL-UHFFFAOYSA-N 1 1 362.271 3.317 20 10 FGCDMO CCOC(=O)N1CCC[N@H+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000775667277 724019800 /nfs/dbraw/zinc/01/98/00/724019800.db2.gz HMWZCFKNLQXZBR-UHFFFAOYSA-N 1 1 371.275 3.127 20 10 FGCDMO CCOC(=O)N1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000775667277 724019807 /nfs/dbraw/zinc/01/98/07/724019807.db2.gz HMWZCFKNLQXZBR-UHFFFAOYSA-N 1 1 371.275 3.127 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000775738330 724035288 /nfs/dbraw/zinc/03/52/88/724035288.db2.gz ANNSUMRIPXRENT-ZIAGYGMSSA-N 1 1 350.459 3.136 20 10 FGCDMO C[C@@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1cc(Cl)ccc1O ZINC000788611712 725075677 /nfs/dbraw/zinc/07/56/77/725075677.db2.gz XPIIMKDRGXAUJY-GFCCVEGCSA-N 1 1 359.857 3.062 20 10 FGCDMO C[C@@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1cc(Cl)ccc1O ZINC000788611712 725075679 /nfs/dbraw/zinc/07/56/79/725075679.db2.gz XPIIMKDRGXAUJY-GFCCVEGCSA-N 1 1 359.857 3.062 20 10 FGCDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000809690100 725258895 /nfs/dbraw/zinc/25/88/95/725258895.db2.gz HDSZXHYTEUUBIZ-NSHDSACASA-N 1 1 364.795 3.326 20 10 FGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(C)cc(Br)c1O ZINC000809697028 725259795 /nfs/dbraw/zinc/25/97/95/725259795.db2.gz BOTNQXOHNDYKEC-FHSYMAMWSA-N 1 1 352.272 3.318 20 10 FGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(C)cc(Br)c1O ZINC000809697028 725259797 /nfs/dbraw/zinc/25/97/97/725259797.db2.gz BOTNQXOHNDYKEC-FHSYMAMWSA-N 1 1 352.272 3.318 20 10 FGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(C)cc(Br)c1O ZINC000809697029 725259835 /nfs/dbraw/zinc/25/98/35/725259835.db2.gz BOTNQXOHNDYKEC-MJNRQNDHSA-N 1 1 352.272 3.318 20 10 FGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(C)cc(Br)c1O ZINC000809697029 725259836 /nfs/dbraw/zinc/25/98/36/725259836.db2.gz BOTNQXOHNDYKEC-MJNRQNDHSA-N 1 1 352.272 3.318 20 10 FGCDMO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@@H](O)C(F)(F)F ZINC000809750711 725264941 /nfs/dbraw/zinc/26/49/41/725264941.db2.gz FJPLSHKOGRJQPT-QGZVFWFLSA-N 1 1 355.356 3.326 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000809767538 725266470 /nfs/dbraw/zinc/26/64/70/725266470.db2.gz NMAVSKLBASQPBT-BBRMVZONSA-N 1 1 353.304 3.379 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000809767538 725266472 /nfs/dbraw/zinc/26/64/72/725266472.db2.gz NMAVSKLBASQPBT-BBRMVZONSA-N 1 1 353.304 3.379 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000809767538 725266474 /nfs/dbraw/zinc/26/64/74/725266474.db2.gz NMAVSKLBASQPBT-BBRMVZONSA-N 1 1 353.304 3.379 20 10 FGCDMO CCOc1cccc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1O ZINC000809772355 725267720 /nfs/dbraw/zinc/26/77/20/725267720.db2.gz UHODSPJYSNZVSP-ZFWWWQNUSA-N 1 1 350.459 3.278 20 10 FGCDMO Cc1nnc(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)s1 ZINC000810243099 725299218 /nfs/dbraw/zinc/29/92/18/725299218.db2.gz LMPMZZZQRZDZCD-ZETCQYMHSA-N 1 1 360.252 3.347 20 10 FGCDMO COC[C@H](C)[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000812536057 725399672 /nfs/dbraw/zinc/39/96/72/725399672.db2.gz OXUAPZAJLGNUPS-ZQIUZPCESA-N 1 1 368.905 3.045 20 10 FGCDMO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000814170812 726944229 /nfs/dbraw/zinc/94/42/29/726944229.db2.gz DAAUZNLLSVLSAY-LJQANCHMSA-N 1 1 364.555 3.466 20 10 FGCDMO CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000816549013 727174291 /nfs/dbraw/zinc/17/42/91/727174291.db2.gz AGMYOWGENFFYLI-CXAGYDPISA-N 1 1 358.885 3.411 20 10 FGCDMO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816572354 727177209 /nfs/dbraw/zinc/17/72/09/727177209.db2.gz MCRXVWQNIKXOBD-GFCCVEGCSA-N 1 1 371.861 3.445 20 10 FGCDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(Cl)c(F)cc3O)nc2c1 ZINC000816593586 727179114 /nfs/dbraw/zinc/17/91/14/727179114.db2.gz WXODQQKKIKFGQM-UHFFFAOYSA-N 1 1 350.737 3.259 20 10 FGCDMO C[C@H]1[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CC(=O)N1Cc1ccccc1 ZINC000816599266 727179135 /nfs/dbraw/zinc/17/91/35/727179135.db2.gz HQOZUZXXGPSYPZ-SJCJKPOMSA-N 1 1 362.832 3.464 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1O ZINC000816624873 727182021 /nfs/dbraw/zinc/18/20/21/727182021.db2.gz JYGYKIKTEHUONZ-KRWDZBQOSA-N 1 1 364.283 3.499 20 10 FGCDMO C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1(F)F ZINC000817548999 727263931 /nfs/dbraw/zinc/26/39/31/727263931.db2.gz GPMCEQSCNSFNQU-BBRMVZONSA-N 1 1 358.816 3.172 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824635276 729351717 /nfs/dbraw/zinc/35/17/17/729351717.db2.gz FZPFJLBHKGXOES-VQIMIIECSA-N 1 1 365.832 3.354 20 10 FGCDMO COc1c(O)c(C[NH2+]CCOc2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000824790541 729359041 /nfs/dbraw/zinc/35/90/41/729359041.db2.gz WUBXOVLLOUDQKD-UHFFFAOYSA-N 1 1 370.764 3.270 20 10 FGCDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824870503 729363128 /nfs/dbraw/zinc/36/31/28/729363128.db2.gz SLRZTAYCQCGFPG-LBPRGKRZSA-N 1 1 356.260 3.318 20 10 FGCDMO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825710456 729392409 /nfs/dbraw/zinc/39/24/09/729392409.db2.gz QCSXPVNOCATTBB-ZWNOBZJWSA-N 1 1 368.193 3.290 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000825754082 729394034 /nfs/dbraw/zinc/39/40/34/729394034.db2.gz ZJWAQNJHHMZRMS-XNJGSVPQSA-N 1 1 370.287 3.313 20 10 FGCDMO OC[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)CC[C@@H]1C(F)(F)F ZINC000825887622 729398566 /nfs/dbraw/zinc/39/85/66/729398566.db2.gz VSAFRKXYYQJENN-JQWIXIFHSA-N 1 1 368.193 3.147 20 10 FGCDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835052442 729853348 /nfs/dbraw/zinc/85/33/48/729853348.db2.gz OJTHGYHAFKEFRP-LAQIPUCWSA-N 1 1 356.388 3.193 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(Cl)c1 ZINC000840917817 730191070 /nfs/dbraw/zinc/19/10/70/730191070.db2.gz NLONKCABBVRBRS-LBPRGKRZSA-N 1 1 362.817 3.344 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000848563108 731182126 /nfs/dbraw/zinc/18/21/26/731182126.db2.gz OPHMNMQVAYZUIE-MELADBBJSA-N 1 1 371.319 3.050 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1 ZINC000850355430 731347318 /nfs/dbraw/zinc/34/73/18/731347318.db2.gz IPBJFDSGLCRPIV-UVARLRKDSA-N 1 1 360.317 3.242 20 10 FGCDMO CSCc1cnc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850406301 731353514 /nfs/dbraw/zinc/35/35/14/731353514.db2.gz ARBURQIPLVDUNX-UHFFFAOYSA-N 1 1 363.552 3.257 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)CSCCF)cc2F)CC1 ZINC000850434606 731356910 /nfs/dbraw/zinc/35/69/10/731356910.db2.gz ZASPZGQXXQZIFR-OAHLLOKOSA-N 1 1 357.514 3.148 20 10 FGCDMO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1O ZINC000850485410 731361950 /nfs/dbraw/zinc/36/19/50/731361950.db2.gz HJZWLEVXJNGBGL-NSHDSACASA-N 1 1 365.417 3.277 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](OC)[C@@H]1CCOC1 ZINC000851792865 731499241 /nfs/dbraw/zinc/49/92/41/731499241.db2.gz QKHGQLIJOJDODD-WBMJQRKESA-N 1 1 358.276 3.028 20 10 FGCDMO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000852469213 731588306 /nfs/dbraw/zinc/58/83/06/731588306.db2.gz UMKULLOWQNAWLS-LBPRGKRZSA-N 1 1 360.285 3.371 20 10 FGCDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000852469213 731588311 /nfs/dbraw/zinc/58/83/11/731588311.db2.gz UMKULLOWQNAWLS-LBPRGKRZSA-N 1 1 360.285 3.371 20 10 FGCDMO OC1CCN(c2ccc(C[NH2+][C@H]3CCCc4scnc43)cc2F)CC1 ZINC000858353341 732206450 /nfs/dbraw/zinc/20/64/50/732206450.db2.gz KPHCEFIXYXKHPG-INIZCTEOSA-N 1 1 361.486 3.411 20 10 FGCDMO Oc1c(F)cccc1C[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000862482087 732839354 /nfs/dbraw/zinc/83/93/54/732839354.db2.gz DAPZDAGMSIXOJM-INIZCTEOSA-N 1 1 350.821 3.180 20 10 FGCDMO Cc1ccc(O)c(C[N@H+](C)CCOCCN(C)C(=O)OC(C)(C)C)c1 ZINC000862489380 732841181 /nfs/dbraw/zinc/84/11/81/732841181.db2.gz JPAMPHSGLHKPKH-UHFFFAOYSA-N 1 1 352.475 3.016 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C(F)(F)F)c1 ZINC000862526342 732843538 /nfs/dbraw/zinc/84/35/38/732843538.db2.gz ACBWRJLPTAETEV-IYPVNNRCSA-N 1 1 360.445 3.257 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C(F)(F)F)c1 ZINC000862526342 732843545 /nfs/dbraw/zinc/84/35/45/732843545.db2.gz ACBWRJLPTAETEV-IYPVNNRCSA-N 1 1 360.445 3.257 20 10 FGCDMO C[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000866536921 733363091 /nfs/dbraw/zinc/36/30/91/733363091.db2.gz XQQUTRFSYWVTJB-QWHCGFSZSA-N 1 1 351.443 3.389 20 10 FGCDMO OC1CCN(c2ccc(C[NH2+]Cc3nc(Cl)cs3)cc2F)CC1 ZINC000876965144 736168430 /nfs/dbraw/zinc/16/84/30/736168430.db2.gz CNPNRNKPHBBQNR-UHFFFAOYSA-N 1 1 355.866 3.187 20 10 FGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)c1cc(Br)no1 ZINC000878565886 736888810 /nfs/dbraw/zinc/88/88/10/736888810.db2.gz VHVSDDYSBSJYTR-CQSZACIVSA-N 1 1 369.259 3.478 20 10 FGCDMO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(N3CCN(C)CC3)cc1)CCC2 ZINC000883289300 737547838 /nfs/dbraw/zinc/54/78/38/737547838.db2.gz KDSHXFLBPNYFNF-SFHVURJKSA-N 1 1 356.539 3.371 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000886510125 739263675 /nfs/dbraw/zinc/26/36/75/739263675.db2.gz VGICEXUUBWPASW-OLZOCXBDSA-N 1 1 366.458 3.193 20 10 FGCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000894021246 742227695 /nfs/dbraw/zinc/22/76/95/742227695.db2.gz SVYYSHILOMVYGN-UHFFFAOYSA-N 1 1 372.213 3.467 20 10 FGCDMO Cc1cc(C[NH2+]Cc2nc(Br)nn2C)c(C)n1-c1ccccc1 ZINC000895404853 742407523 /nfs/dbraw/zinc/40/75/23/742407523.db2.gz HSICSQWJHNPBQS-UHFFFAOYSA-N 1 1 374.286 3.275 20 10 FGCDMO [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895836686 742459671 /nfs/dbraw/zinc/45/96/71/742459671.db2.gz DUDGKZQEIKTMFU-LBPRGKRZSA-N 1 1 372.156 3.041 20 10 FGCDMO CCOc1cccc(C[N@H+]2CC[C@H](c3ncc(C(=O)OC)s3)C2)c1O ZINC000896968018 742623583 /nfs/dbraw/zinc/62/35/83/742623583.db2.gz CBWXYUZLONMWPN-ZDUSSCGKSA-N 1 1 362.451 3.024 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC000896984580 742626534 /nfs/dbraw/zinc/62/65/34/742626534.db2.gz MPNUAFWQXXNXQA-CQSZACIVSA-N 1 1 350.459 3.138 20 10 FGCDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)n1 ZINC000897579608 742692081 /nfs/dbraw/zinc/69/20/81/742692081.db2.gz YDLFYNPPQLYJKN-LBPRGKRZSA-N 1 1 366.259 3.301 20 10 FGCDMO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000926909980 759844946 /nfs/dbraw/zinc/84/49/46/759844946.db2.gz RFMVFYDQTAYVPM-ZDUSSCGKSA-N 1 1 351.443 3.218 20 10 FGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079459561 494459100 /nfs/dbraw/zinc/45/91/00/494459100.db2.gz PLMXBDDMQWTMQN-IBGZPJMESA-N 1 1 370.541 3.303 20 10 FGCDMO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccccc3O)n2)c(OC)c1 ZINC000121148880 494616744 /nfs/dbraw/zinc/61/67/44/494616744.db2.gz ZWRUXQJRAIHBPF-UHFFFAOYSA-N 1 1 355.394 3.091 20 10 FGCDMO C[C@@H](c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1)[NH+]1CCOCC1 ZINC000118030912 494971962 /nfs/dbraw/zinc/97/19/62/494971962.db2.gz MLVKMGGAFOFTFO-INIZCTEOSA-N 1 1 369.465 3.449 20 10 FGCDMO COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000111235865 495052315 /nfs/dbraw/zinc/05/23/15/495052315.db2.gz WEIGATTYFRGCCG-GJZGRUSLSA-N 1 1 372.465 3.107 20 10 FGCDMO Cc1nc(C)c(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000134266485 495128433 /nfs/dbraw/zinc/12/84/33/495128433.db2.gz FOMHQCZNIOCHCJ-OAHLLOKOSA-N 1 1 363.845 3.045 20 10 FGCDMO Cc1nc(C)c(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000134266485 495128437 /nfs/dbraw/zinc/12/84/37/495128437.db2.gz FOMHQCZNIOCHCJ-OAHLLOKOSA-N 1 1 363.845 3.045 20 10 FGCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105276122 495351718 /nfs/dbraw/zinc/35/17/18/495351718.db2.gz MZNBFMIRIMCKCE-IBGZPJMESA-N 1 1 360.546 3.405 20 10 FGCDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H](O)Cn1cccn1 ZINC000179646646 495676642 /nfs/dbraw/zinc/67/66/42/495676642.db2.gz GXARXJSVRAFLEN-PXNSSMCTSA-N 1 1 351.450 3.213 20 10 FGCDMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(C)c1O ZINC000183513987 496016639 /nfs/dbraw/zinc/01/66/39/496016639.db2.gz FOTBKNQGGKPZSW-UHFFFAOYSA-N 1 1 355.438 3.120 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)CCCC[NH+]3CCOCC3)cc2)CC1 ZINC000171826730 496053487 /nfs/dbraw/zinc/05/34/87/496053487.db2.gz KAAPATLHGFGSBU-UHFFFAOYSA-N 1 1 373.541 3.042 20 10 FGCDMO C[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000162543488 496371053 /nfs/dbraw/zinc/37/10/53/496371053.db2.gz YEPVSIWCMARBLK-HXUWFJFHSA-N 1 1 358.574 3.355 20 10 FGCDMO C[C@@H](N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000153679226 496543047 /nfs/dbraw/zinc/54/30/47/496543047.db2.gz OJNOUCGRGFIABG-IEBWSBKVSA-N 1 1 357.542 3.315 20 10 FGCDMO C[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000153679226 496543053 /nfs/dbraw/zinc/54/30/53/496543053.db2.gz OJNOUCGRGFIABG-IEBWSBKVSA-N 1 1 357.542 3.315 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000273483310 496818963 /nfs/dbraw/zinc/81/89/63/496818963.db2.gz MOVUAANONOTMFR-UXGGDIESSA-N 1 1 361.463 3.328 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264244540 496850701 /nfs/dbraw/zinc/85/07/01/496850701.db2.gz XTAWXGZRLOFGCQ-IBGZPJMESA-N 1 1 367.493 3.098 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)c1 ZINC000273624169 496855652 /nfs/dbraw/zinc/85/56/52/496855652.db2.gz ZZAXZCQKRSUUDF-CYBMUJFWSA-N 1 1 356.422 3.031 20 10 FGCDMO COc1c(O)c(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278139929 497019079 /nfs/dbraw/zinc/01/90/79/497019079.db2.gz AQXAALYTQKIDHC-KRWDZBQOSA-N 1 1 358.394 3.055 20 10 FGCDMO COC(=O)c1cc(C[NH2+]Cc2cccc(Br)c2O)oc1C ZINC000278347746 497082983 /nfs/dbraw/zinc/08/29/83/497082983.db2.gz IEWBZUQUBQMKBA-UHFFFAOYSA-N 1 1 354.200 3.133 20 10 FGCDMO COC(=O)CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccc1 ZINC000278952222 497279229 /nfs/dbraw/zinc/27/92/29/497279229.db2.gz ZQSYXOUYCXZYOD-HNNXBMFYSA-N 1 1 374.393 3.093 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3c(Cl)cnn3C)cc2F)C[C@H](C)O1 ZINC000275468974 497336234 /nfs/dbraw/zinc/33/62/34/497336234.db2.gz IOGPYMMLNXLXDV-BETUJISGSA-N 1 1 366.868 3.116 20 10 FGCDMO COc1c(O)c(C[NH2+]CC2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000280531209 497782129 /nfs/dbraw/zinc/78/21/29/497782129.db2.gz ILUGPSHHPGAROQ-UHFFFAOYSA-N 1 1 371.437 3.315 20 10 FGCDMO COC(=O)[C@@H](C)[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CCC1 ZINC000295902578 497848172 /nfs/dbraw/zinc/84/81/72/497848172.db2.gz FEYMGKSEQOZBGB-MRXNPFEDSA-N 1 1 360.498 3.218 20 10 FGCDMO COC(=O)[C@@H](C)[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CCC1 ZINC000295902578 497848177 /nfs/dbraw/zinc/84/81/77/497848177.db2.gz FEYMGKSEQOZBGB-MRXNPFEDSA-N 1 1 360.498 3.218 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411779 497943561 /nfs/dbraw/zinc/94/35/61/497943561.db2.gz CDBISTPQCSWAND-CABCVRRESA-N 1 1 355.438 3.208 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411781 497943681 /nfs/dbraw/zinc/94/36/81/497943681.db2.gz CDBISTPQCSWAND-HUUCEWRRSA-N 1 1 355.438 3.208 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)c2)c1 ZINC000289583308 498204172 /nfs/dbraw/zinc/20/41/72/498204172.db2.gz BPTOYQVTSQJACE-HNNXBMFYSA-N 1 1 369.465 3.333 20 10 FGCDMO COc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1O ZINC000365167138 498331391 /nfs/dbraw/zinc/33/13/91/498331391.db2.gz ABISNBMQTBDUKL-IIBYNOLFSA-N 1 1 369.465 3.290 20 10 FGCDMO COc1cc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccccc3)CC2)cc1OC ZINC000301942439 498338932 /nfs/dbraw/zinc/33/89/32/498338932.db2.gz VNLIFRBUJIIHJR-UHFFFAOYSA-N 1 1 371.437 3.324 20 10 FGCDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)nn1C ZINC000282144561 498399405 /nfs/dbraw/zinc/39/94/05/498399405.db2.gz KVCLGLGJRWIZFF-OWCLPIDISA-N 1 1 360.477 3.332 20 10 FGCDMO Oc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1Cl ZINC000293628025 498434063 /nfs/dbraw/zinc/43/40/63/498434063.db2.gz QVDXRHJITMRKAP-UHFFFAOYSA-N 1 1 350.821 3.311 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC23CCC(CO)CC3)c1O ZINC000361984265 498448133 /nfs/dbraw/zinc/44/81/33/498448133.db2.gz AMDFCLDWEDAXRR-UHFFFAOYSA-N 1 1 370.287 3.290 20 10 FGCDMO C[C@H](C[NH2+][C@H](CCc1ccccc1)c1ccccc1O)N1CCN(C)CC1 ZINC000293887369 498523268 /nfs/dbraw/zinc/52/32/68/498523268.db2.gz VTQDSUBLZDRMSD-DENIHFKCSA-N 1 1 367.537 3.292 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)c1O ZINC000365613806 498559247 /nfs/dbraw/zinc/55/92/47/498559247.db2.gz CWLFVSPKEPIQPF-AWEZNQCLSA-N 1 1 366.259 3.115 20 10 FGCDMO COc1cc(O)c(C[N@H+](Cc2ccco2)C2CCN(C)CC2)cc1OC ZINC000290546881 498593071 /nfs/dbraw/zinc/59/30/71/498593071.db2.gz RNVNBANZWXHSOB-UHFFFAOYSA-N 1 1 360.454 3.099 20 10 FGCDMO COc1cc(O)c(C[N@@H+](Cc2ccco2)C2CCN(C)CC2)cc1OC ZINC000290546881 498593077 /nfs/dbraw/zinc/59/30/77/498593077.db2.gz RNVNBANZWXHSOB-UHFFFAOYSA-N 1 1 360.454 3.099 20 10 FGCDMO Cc1[nH+]ccn1CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000298471401 498782948 /nfs/dbraw/zinc/78/29/48/498782948.db2.gz QDUPQMIJQLKOCR-UHFFFAOYSA-N 1 1 352.438 3.080 20 10 FGCDMO Cn1ccnc1[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(C)(C)CO ZINC000295022196 498883423 /nfs/dbraw/zinc/88/34/23/498883423.db2.gz KSYWNJCADVICDA-IBGZPJMESA-N 1 1 356.514 3.260 20 10 FGCDMO Cc1cc(C[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)ccc1N(C)C ZINC000295133383 498921363 /nfs/dbraw/zinc/92/13/63/498921363.db2.gz LIVQWOADBYRTED-FQEVSTJZSA-N 1 1 368.525 3.191 20 10 FGCDMO COc1cc(Br)cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1O ZINC000363835778 499019282 /nfs/dbraw/zinc/01/92/82/499019282.db2.gz XGGLVXGKKGVEJS-GFCCVEGCSA-N 1 1 352.232 3.054 20 10 FGCDMO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(C(C)=O)c2O)o1 ZINC000364079119 499110410 /nfs/dbraw/zinc/11/04/10/499110410.db2.gz JWRWGGVVWCSCHK-SFHVURJKSA-N 1 1 374.412 3.300 20 10 FGCDMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(C(C)=O)c2O)o1 ZINC000364079119 499110413 /nfs/dbraw/zinc/11/04/13/499110413.db2.gz JWRWGGVVWCSCHK-SFHVURJKSA-N 1 1 374.412 3.300 20 10 FGCDMO CC[C@H](c1ccccc1O)[N@H+]1CCCN(Cc2nc([C@H](C)OC)no2)CC1 ZINC000367319826 499180263 /nfs/dbraw/zinc/18/02/63/499180263.db2.gz XZADNSLAGNIRPR-DOTOQJQBSA-N 1 1 374.485 3.142 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c1 ZINC000367344275 499184894 /nfs/dbraw/zinc/18/48/94/499184894.db2.gz VWRFGAOOPBBYGX-OAHLLOKOSA-N 1 1 358.438 3.026 20 10 FGCDMO Oc1c(F)cccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000370177574 499193630 /nfs/dbraw/zinc/19/36/30/499193630.db2.gz ZKLBXCVFEWWHAQ-FOIQADDNSA-N 1 1 357.429 3.421 20 10 FGCDMO Oc1c(F)cccc1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000370177574 499193634 /nfs/dbraw/zinc/19/36/34/499193634.db2.gz ZKLBXCVFEWWHAQ-FOIQADDNSA-N 1 1 357.429 3.421 20 10 FGCDMO COCCC[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370343216 499211668 /nfs/dbraw/zinc/21/16/68/499211668.db2.gz NKWACRZPPGLBEJ-RHSMWYFYSA-N 1 1 368.905 3.189 20 10 FGCDMO CN(C)c1ccc(CN(C(=O)NCc2c[nH+]c3n2CCCC3)C2CC2)cc1 ZINC000367947528 499248395 /nfs/dbraw/zinc/24/83/95/499248395.db2.gz KCXHKDODBKXOHA-UHFFFAOYSA-N 1 1 367.497 3.160 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1[O-] ZINC000368325405 499285408 /nfs/dbraw/zinc/28/54/08/499285408.db2.gz ADVZACAYDHLHRP-SJLPKXTDSA-N 1 1 353.510 3.365 20 10 FGCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(N2CCCCC2)cc1 ZINC000371470999 499331537 /nfs/dbraw/zinc/33/15/37/499331537.db2.gz QCJNTCUAOUQWOW-FSSWDIPSSA-N 1 1 357.542 3.360 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000368811409 499335115 /nfs/dbraw/zinc/33/51/15/499335115.db2.gz VWZJHMCVJKDZBN-MRXNPFEDSA-N 1 1 354.450 3.310 20 10 FGCDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000373232986 499458996 /nfs/dbraw/zinc/45/89/96/499458996.db2.gz RTJKMRARPGXDKM-LBPRGKRZSA-N 1 1 350.260 3.268 20 10 FGCDMO CC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(F)cc1[O-] ZINC000375800913 499557215 /nfs/dbraw/zinc/55/72/15/499557215.db2.gz FTQRCWBEYZUVIF-TWKWOARYSA-N 1 1 350.478 3.461 20 10 FGCDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(F)cc1[O-] ZINC000375800913 499557216 /nfs/dbraw/zinc/55/72/16/499557216.db2.gz FTQRCWBEYZUVIF-TWKWOARYSA-N 1 1 350.478 3.461 20 10 FGCDMO COc1cc(O)c(CN[C@@H]2c3ccccc3CC[C@H]2[NH+](C)C)cc1OC ZINC000376484358 499611810 /nfs/dbraw/zinc/61/18/10/499611810.db2.gz MFBGOQPPUXZOND-DYESRHJHSA-N 1 1 356.466 3.117 20 10 FGCDMO CN1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000377760650 499730252 /nfs/dbraw/zinc/73/02/52/499730252.db2.gz JXYORVYAJSTJOG-FYYLOGMGSA-N 1 1 365.521 3.306 20 10 FGCDMO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H](C)c2ccc(F)cc2O)oc1C ZINC000377786818 499733423 /nfs/dbraw/zinc/73/34/23/499733423.db2.gz ULWWDJVZKTUQMM-RCBQFDQVSA-N 1 1 365.424 3.399 20 10 FGCDMO CSC[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435874211 501040499 /nfs/dbraw/zinc/04/04/99/501040499.db2.gz IDKKKZMAHVXQDN-HNNXBMFYSA-N 1 1 359.539 3.276 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000458728927 501517154 /nfs/dbraw/zinc/51/71/54/501517154.db2.gz FMAVUPVEEUACHZ-NRFANRHFSA-N 1 1 354.498 3.114 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCSC2)C1 ZINC000468464807 502066989 /nfs/dbraw/zinc/06/69/89/502066989.db2.gz CVHADVUQGBMLJI-MRXNPFEDSA-N 1 1 371.550 3.277 20 10 FGCDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000472223662 502276367 /nfs/dbraw/zinc/27/63/67/502276367.db2.gz UOUKWJIVAKVVQL-DLBZAZTESA-N 1 1 354.498 3.255 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000473282228 502558223 /nfs/dbraw/zinc/55/82/23/502558223.db2.gz SOZCASLOHWKGNB-ZOCZFRKYSA-N 1 1 371.525 3.237 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)ccc21 ZINC000484695442 502711547 /nfs/dbraw/zinc/71/15/47/502711547.db2.gz NEHISOHOOOWQLW-PZJWPPBQSA-N 1 1 369.509 3.261 20 10 FGCDMO C[C@H]([NH2+]Cc1cccc(Br)c1O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135354 598274978 /nfs/dbraw/zinc/27/49/78/598274978.db2.gz PNKXBEGAFNIEPV-JTQLQIEISA-N 1 1 374.242 3.186 20 10 FGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735873189 598715725 /nfs/dbraw/zinc/71/57/25/598715725.db2.gz BGLOTLDYVMKLDN-UHFFFAOYSA-N 1 1 368.460 3.482 20 10 FGCDMO O=C1CCCCN1C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000093741670 700454160 /nfs/dbraw/zinc/45/41/60/700454160.db2.gz VFMSRGJFQCHSKH-UHFFFAOYSA-N 1 1 367.287 3.132 20 10 FGCDMO NC(=O)CC[N@H+](Cc1ccccc1)Cc1cccc(Br)c1O ZINC000122115948 700684693 /nfs/dbraw/zinc/68/46/93/700684693.db2.gz NBIJJHXQLJKRGX-UHFFFAOYSA-N 1 1 363.255 3.032 20 10 FGCDMO NC(=O)CC[N@@H+](Cc1ccccc1)Cc1cccc(Br)c1O ZINC000122115948 700684694 /nfs/dbraw/zinc/68/46/94/700684694.db2.gz NBIJJHXQLJKRGX-UHFFFAOYSA-N 1 1 363.255 3.032 20 10 FGCDMO O=C(C[C@@H]1CCCCO1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134262163 704818403 /nfs/dbraw/zinc/81/84/03/704818403.db2.gz JCAIDQVUEAVHOD-SJORKVTESA-N 1 1 366.889 3.085 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)CN3CC[NH+](C)CC3)c2C)c1 ZINC000151660510 704932212 /nfs/dbraw/zinc/93/22/12/704932212.db2.gz SBWHYKKCYAVVTF-UHFFFAOYSA-N 1 1 357.523 3.246 20 10 FGCDMO COC[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000172922717 705436330 /nfs/dbraw/zinc/43/63/30/705436330.db2.gz NVGNIGVTSJKZFN-AWEZNQCLSA-N 1 1 366.255 3.155 20 10 FGCDMO COCCO[C@H]1CCC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000193416407 712890407 /nfs/dbraw/zinc/89/04/07/712890407.db2.gz QSSSDADZDJLMCS-INIZCTEOSA-N 1 1 351.487 3.326 20 10 FGCDMO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)[C@@H](C)C1 ZINC000248493076 713651795 /nfs/dbraw/zinc/65/17/95/713651795.db2.gz JUDBJQKFGAVJOQ-BXWFABGCSA-N 1 1 350.503 3.188 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000291188457 713770417 /nfs/dbraw/zinc/77/04/17/713770417.db2.gz GILTZTGGJRYMMW-LBPRGKRZSA-N 1 1 352.347 3.221 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000291188457 713770419 /nfs/dbraw/zinc/77/04/19/713770419.db2.gz GILTZTGGJRYMMW-LBPRGKRZSA-N 1 1 352.347 3.221 20 10 FGCDMO COc1cccc(O)c1C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000769528420 723689047 /nfs/dbraw/zinc/68/90/47/723689047.db2.gz QBFJCQAQBICKKL-OAHLLOKOSA-N 1 1 366.255 3.329 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000781631023 724580475 /nfs/dbraw/zinc/58/04/75/724580475.db2.gz FUFADQXAZJFDJU-UHFFFAOYSA-N 1 1 362.267 3.083 20 10 FGCDMO O=C1[C@@H]([N@@H+](Cc2ccccc2O)C2CCCC2)CCN1CC(F)(F)F ZINC000732204544 722482358 /nfs/dbraw/zinc/48/23/58/722482358.db2.gz MNDSVDYZCGWKJB-HNNXBMFYSA-N 1 1 356.388 3.300 20 10 FGCDMO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000733331078 722495803 /nfs/dbraw/zinc/49/58/03/722495803.db2.gz ZHOLGNNLAMCMCJ-HNNXBMFYSA-N 1 1 359.297 3.432 20 10 FGCDMO COc1cc(C)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000754731494 722945069 /nfs/dbraw/zinc/94/50/69/722945069.db2.gz GSCUFNSBVHUMOY-AWEZNQCLSA-N 1 1 350.459 3.150 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000754731494 722945070 /nfs/dbraw/zinc/94/50/70/722945070.db2.gz GSCUFNSBVHUMOY-AWEZNQCLSA-N 1 1 350.459 3.150 20 10 FGCDMO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc(Br)c(F)cc1O ZINC000756587576 722967236 /nfs/dbraw/zinc/96/72/36/722967236.db2.gz BKTBWDQSYLVBOH-GSDQLPOLSA-N 1 1 366.296 3.492 20 10 FGCDMO C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1ccc(F)cc1O ZINC000756649701 722968210 /nfs/dbraw/zinc/96/82/10/722968210.db2.gz QRWRULJLPRZQHI-MRXNPFEDSA-N 1 1 350.478 3.465 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2Cl)c1 ZINC000756739511 722969336 /nfs/dbraw/zinc/96/93/36/722969336.db2.gz OBTPEMFHIWFRPX-HWPZZCPQSA-N 1 1 367.804 3.356 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000789763942 723071793 /nfs/dbraw/zinc/07/17/93/723071793.db2.gz AWSIYSCWCWBNRF-OKILXGFUSA-N 1 1 371.319 3.004 20 10 FGCDMO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCN1CC(F)(F)F ZINC000762512488 723249861 /nfs/dbraw/zinc/24/98/61/723249861.db2.gz ZJVHJQTVLAHOLX-GFCCVEGCSA-N 1 1 360.420 3.464 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCN1CC(F)(F)F ZINC000762512488 723249862 /nfs/dbraw/zinc/24/98/62/723249862.db2.gz ZJVHJQTVLAHOLX-GFCCVEGCSA-N 1 1 360.420 3.464 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](CCO)Cc2cccnc2)c(C(F)(F)F)c1 ZINC000792812855 723370389 /nfs/dbraw/zinc/37/03/89/723370389.db2.gz OHZOXQDULFHPPI-UHFFFAOYSA-N 1 1 353.388 3.161 20 10 FGCDMO CC[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H](C)CS(C)(=O)=O ZINC000792822284 723371472 /nfs/dbraw/zinc/37/14/72/723371472.db2.gz KAJMZHTYMPWWTL-GFCCVEGCSA-N 1 1 366.449 3.026 20 10 FGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H](C)CS(C)(=O)=O ZINC000792822284 723371475 /nfs/dbraw/zinc/37/14/75/723371475.db2.gz KAJMZHTYMPWWTL-GFCCVEGCSA-N 1 1 366.449 3.026 20 10 FGCDMO Cc1ccc(C[N@@H+](CCO)Cc2cc(Br)cc(C)c2O)o1 ZINC000793364698 723430460 /nfs/dbraw/zinc/43/04/60/723430460.db2.gz FWHWVKJSCIWBMB-UHFFFAOYSA-N 1 1 354.244 3.359 20 10 FGCDMO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765073477 723475952 /nfs/dbraw/zinc/47/59/52/723475952.db2.gz KFWLFGHUOLPYLO-HZPDHXFCSA-N 1 1 351.922 3.169 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1 ZINC000765808253 723542323 /nfs/dbraw/zinc/54/23/23/723542323.db2.gz HUGODACGWQQFDQ-HXPMCKFVSA-N 1 1 363.841 3.391 20 10 FGCDMO C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766384017 723571301 /nfs/dbraw/zinc/57/13/01/723571301.db2.gz VKRQBSLQUXUWIG-JKSUJKDBSA-N 1 1 351.922 3.169 20 10 FGCDMO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766384017 723571302 /nfs/dbraw/zinc/57/13/02/723571302.db2.gz VKRQBSLQUXUWIG-JKSUJKDBSA-N 1 1 351.922 3.169 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1c(F)cncc1F ZINC000796526736 723641690 /nfs/dbraw/zinc/64/16/90/723641690.db2.gz LKFVFYCQALKNRK-GFCCVEGCSA-N 1 1 351.372 3.186 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)c1O ZINC000796531907 723641937 /nfs/dbraw/zinc/64/19/37/723641937.db2.gz MWJYZTKKMQNIQV-QGZVFWFLSA-N 1 1 360.841 3.297 20 10 FGCDMO C[C@@H]1SCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1c1ccccc1 ZINC000768445197 723657721 /nfs/dbraw/zinc/65/77/21/723657721.db2.gz GKWFBARQYRDRLQ-CYFNAFFESA-N 1 1 357.475 3.497 20 10 FGCDMO CCOc1ccc(C[NH+]2CCN(Cc3csc(CC)n3)CC2)c(O)c1 ZINC000769111417 723677067 /nfs/dbraw/zinc/67/70/67/723677067.db2.gz OKDNQDYTAQDEMY-UHFFFAOYSA-N 1 1 361.511 3.128 20 10 FGCDMO CCCCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1(C)C ZINC000775032277 723954516 /nfs/dbraw/zinc/95/45/16/723954516.db2.gz HASSDSCAXDASRB-GJZGRUSLSA-N 1 1 352.431 3.382 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000775146793 723964165 /nfs/dbraw/zinc/96/41/65/723964165.db2.gz IKBKIEXUFNKQIM-BXUZGUMPSA-N 1 1 370.877 3.399 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]Cc1cn2cccc(F)c2n1 ZINC000775154295 723965257 /nfs/dbraw/zinc/96/52/57/723965257.db2.gz ZEMDWFCWMXRPJN-UHFFFAOYSA-N 1 1 350.191 3.231 20 10 FGCDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000775192609 723970166 /nfs/dbraw/zinc/97/01/66/723970166.db2.gz NLLOAUYPPKGMFZ-IBGZPJMESA-N 1 1 359.491 3.458 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)c1ccc(F)cn1 ZINC000799303555 724004459 /nfs/dbraw/zinc/00/44/59/724004459.db2.gz JUKOOMFANZMHRP-MRXNPFEDSA-N 1 1 369.234 3.244 20 10 FGCDMO COc1cccc(C[N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000775968248 724090797 /nfs/dbraw/zinc/09/07/97/724090797.db2.gz IDXUGRCTGNZOJP-KGLIPLIRSA-N 1 1 350.459 3.231 20 10 FGCDMO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805224771 725057126 /nfs/dbraw/zinc/05/71/26/725057126.db2.gz XCCLVHSBPYVYNJ-QWHCGFSZSA-N 1 1 360.285 3.371 20 10 FGCDMO C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1=CC[N@H+](C)CC1 ZINC000805275619 725061206 /nfs/dbraw/zinc/06/12/06/725061206.db2.gz MBLWRMAHTKQFJC-SNVBAGLBSA-N 1 1 358.269 3.149 20 10 FGCDMO C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C1=CC[N@@H+](C)CC1 ZINC000805275619 725061209 /nfs/dbraw/zinc/06/12/09/725061209.db2.gz MBLWRMAHTKQFJC-SNVBAGLBSA-N 1 1 358.269 3.149 20 10 FGCDMO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000788753347 725085833 /nfs/dbraw/zinc/08/58/33/725085833.db2.gz IYTRDMLIFCBRKQ-NSHDSACASA-N 1 1 353.406 3.277 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](CC2CCC2)[C@H](C)CO)c1O ZINC000809665131 725257496 /nfs/dbraw/zinc/25/74/96/725257496.db2.gz PJSFBYXFUXPYFF-LLVKDONJSA-N 1 1 358.276 3.146 20 10 FGCDMO OC[C@H]1C[N@H+](Cc2cccc(Br)c2O)CC[C@H]1C(F)(F)F ZINC000809697338 725259992 /nfs/dbraw/zinc/25/99/92/725259992.db2.gz FDASZJBPMYZLOY-GHMZBOCLSA-N 1 1 368.193 3.147 20 10 FGCDMO OC[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CC[C@H]1C(F)(F)F ZINC000809697338 725259994 /nfs/dbraw/zinc/25/99/94/725259994.db2.gz FDASZJBPMYZLOY-GHMZBOCLSA-N 1 1 368.193 3.147 20 10 FGCDMO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000809708968 725260952 /nfs/dbraw/zinc/26/09/52/725260952.db2.gz LZBPUYFIOKQUOG-AWEZNQCLSA-N 1 1 371.275 3.207 20 10 FGCDMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000809723439 725262934 /nfs/dbraw/zinc/26/29/34/725262934.db2.gz WODPSZQUFADXDI-HNNXBMFYSA-N 1 1 370.877 3.497 20 10 FGCDMO CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216933 725297604 /nfs/dbraw/zinc/29/76/04/725297604.db2.gz STPVGMCCNYEDKE-XJKSGUPXSA-N 1 1 359.436 3.088 20 10 FGCDMO CN(CCC(=O)NCc1cc(Cl)cc(Cl)c1O)c1cc[nH+]cc1 ZINC000813685635 726905273 /nfs/dbraw/zinc/90/52/73/726905273.db2.gz NAQYTFINYLWQCN-UHFFFAOYSA-N 1 1 354.237 3.237 20 10 FGCDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(F)c3O)CC[C@H]21 ZINC000814176466 726945012 /nfs/dbraw/zinc/94/50/12/726945012.db2.gz QEOLQHDMUCCVCN-XJKSGUPXSA-N 1 1 350.434 3.363 20 10 FGCDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(F)c3O)CC[C@H]21 ZINC000814176466 726945013 /nfs/dbraw/zinc/94/50/13/726945013.db2.gz QEOLQHDMUCCVCN-XJKSGUPXSA-N 1 1 350.434 3.363 20 10 FGCDMO Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)ccc1N(C)C ZINC000815059867 727029192 /nfs/dbraw/zinc/02/91/92/727029192.db2.gz ITGUBECJNPZXHZ-PKOBYXMFSA-N 1 1 360.523 3.447 20 10 FGCDMO Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)ccc1N(C)C ZINC000815059867 727029197 /nfs/dbraw/zinc/02/91/97/727029197.db2.gz ITGUBECJNPZXHZ-PKOBYXMFSA-N 1 1 360.523 3.447 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000816530293 727172262 /nfs/dbraw/zinc/17/22/62/727172262.db2.gz CGRZUSQBRXBEEA-GOSISDBHSA-N 1 1 364.848 3.348 20 10 FGCDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000817365720 727244276 /nfs/dbraw/zinc/24/42/76/727244276.db2.gz NNFZOVNHMNYRKG-CQSZACIVSA-N 1 1 363.255 3.018 20 10 FGCDMO C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCCN1 ZINC000817903186 727287392 /nfs/dbraw/zinc/28/73/92/727287392.db2.gz JNPBRIPIHIIGSS-KSSFIOAISA-N 1 1 353.457 3.377 20 10 FGCDMO C[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000817903186 727287395 /nfs/dbraw/zinc/28/73/95/727287395.db2.gz JNPBRIPIHIIGSS-KSSFIOAISA-N 1 1 353.457 3.377 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Br)nc1 ZINC000817942084 727288831 /nfs/dbraw/zinc/28/88/31/727288831.db2.gz MDRRKEPELLCUSW-MLGOLLRUSA-N 1 1 363.303 3.261 20 10 FGCDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)[C@@H]2C1 ZINC000822508357 729185376 /nfs/dbraw/zinc/18/53/76/729185376.db2.gz UPYDSBLZOZVPOJ-IUODEOHRSA-N 1 1 352.862 3.487 20 10 FGCDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)[C@@H]2C1 ZINC000822508357 729185406 /nfs/dbraw/zinc/18/54/06/729185406.db2.gz UPYDSBLZOZVPOJ-IUODEOHRSA-N 1 1 352.862 3.487 20 10 FGCDMO CCn1nnc(C)c1C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000823477226 729283739 /nfs/dbraw/zinc/28/37/39/729283739.db2.gz NJSDEBIKIYZZSS-UHFFFAOYSA-N 1 1 353.264 3.097 20 10 FGCDMO CCn1nnc(C)c1C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000823477226 729283741 /nfs/dbraw/zinc/28/37/41/729283741.db2.gz NJSDEBIKIYZZSS-UHFFFAOYSA-N 1 1 353.264 3.097 20 10 FGCDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000824593555 729349359 /nfs/dbraw/zinc/34/93/59/729349359.db2.gz PXRWYXXKZMPOBC-GFCCVEGCSA-N 1 1 352.232 3.226 20 10 FGCDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824650317 729353025 /nfs/dbraw/zinc/35/30/25/729353025.db2.gz OEUDIEGVQFVZEM-ZDUSSCGKSA-N 1 1 369.303 3.139 20 10 FGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1Cl ZINC000825949070 729400546 /nfs/dbraw/zinc/40/05/46/729400546.db2.gz OVXPJCMTMCAYGB-LLVKDONJSA-N 1 1 364.795 3.245 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1Cl ZINC000825949070 729400548 /nfs/dbraw/zinc/40/05/48/729400548.db2.gz OVXPJCMTMCAYGB-LLVKDONJSA-N 1 1 364.795 3.245 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000827377531 729429574 /nfs/dbraw/zinc/42/95/74/729429574.db2.gz ZXJSGMMASBVXOW-XJKSGUPXSA-N 1 1 350.415 3.090 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)ccc1[N+](=O)[O-] ZINC000827377531 729429575 /nfs/dbraw/zinc/42/95/75/729429575.db2.gz ZXJSGMMASBVXOW-XJKSGUPXSA-N 1 1 350.415 3.090 20 10 FGCDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCn3ncc(Br)c3C2)cc1 ZINC000827452239 729430427 /nfs/dbraw/zinc/43/04/27/729430427.db2.gz WXKDIBMTWULWTM-ARJAWSKDSA-N 1 1 361.287 3.241 20 10 FGCDMO CN(C)c1ccc(/C=C\C[N@H+]2CCn3ncc(Br)c3C2)cc1 ZINC000827452239 729430428 /nfs/dbraw/zinc/43/04/28/729430428.db2.gz WXKDIBMTWULWTM-ARJAWSKDSA-N 1 1 361.287 3.241 20 10 FGCDMO CC[N@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@H](C)CS(C)(=O)=O ZINC000827813075 729435375 /nfs/dbraw/zinc/43/53/75/729435375.db2.gz JQQPEVWQAMCOEL-QGZVFWFLSA-N 1 1 352.544 3.240 20 10 FGCDMO CC[N@@H+](Cc1ccc(N2CCCCC2)c(C)c1)[C@H](C)CS(C)(=O)=O ZINC000827813075 729435376 /nfs/dbraw/zinc/43/53/76/729435376.db2.gz JQQPEVWQAMCOEL-QGZVFWFLSA-N 1 1 352.544 3.240 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)c(Br)c1)C1(CO)CC1 ZINC000827898984 729436765 /nfs/dbraw/zinc/43/67/65/729436765.db2.gz XSCFBOZKSSBOEI-UHFFFAOYSA-N 1 1 353.304 3.396 20 10 FGCDMO COc1cc(Br)cc(C[NH2+]Cc2nnc(C3CC3)s2)c1O ZINC000840973415 730199416 /nfs/dbraw/zinc/19/94/16/730199416.db2.gz MNYLFBDRZFIVTK-UHFFFAOYSA-N 1 1 370.272 3.182 20 10 FGCDMO COc1ccc(N(C)CC[N@H+](C)CC(=O)Nc2ccccc2Cl)cc1 ZINC000844402449 730713526 /nfs/dbraw/zinc/71/35/26/730713526.db2.gz XREYPDADOJUXHB-UHFFFAOYSA-N 1 1 361.873 3.355 20 10 FGCDMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)Nc2ccccc2Cl)cc1 ZINC000844402449 730713527 /nfs/dbraw/zinc/71/35/27/730713527.db2.gz XREYPDADOJUXHB-UHFFFAOYSA-N 1 1 361.873 3.355 20 10 FGCDMO COc1cc(O)c(C[N@@H+]2[C@@H](C)CC[C@H]2C(=O)OC(C)(C)C)cc1OC ZINC000846008084 730917742 /nfs/dbraw/zinc/91/77/42/730917742.db2.gz SWYCXNGOGZTYSR-JSGCOSHPSA-N 1 1 351.443 3.104 20 10 FGCDMO COc1cc(O)c(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)OC(C)(C)C)cc1OC ZINC000846008084 730917745 /nfs/dbraw/zinc/91/77/45/730917745.db2.gz SWYCXNGOGZTYSR-JSGCOSHPSA-N 1 1 351.443 3.104 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)ccc1[N+](=O)[O-] ZINC000846016425 730918832 /nfs/dbraw/zinc/91/88/32/730918832.db2.gz WOBWNNSHCGKYJJ-UHFFFAOYSA-N 1 1 364.295 3.175 20 10 FGCDMO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1O ZINC000848518239 731174312 /nfs/dbraw/zinc/17/43/12/731174312.db2.gz JJFSZBHPWNGKMK-NEPJUHHUSA-N 1 1 369.303 3.298 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000848519350 731174316 /nfs/dbraw/zinc/17/43/16/731174316.db2.gz RKMXCCCYIPXADO-IACUBPJLSA-N 1 1 369.303 3.441 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000848519350 731174317 /nfs/dbraw/zinc/17/43/17/731174317.db2.gz RKMXCCCYIPXADO-IACUBPJLSA-N 1 1 369.303 3.441 20 10 FGCDMO C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000850497333 731364519 /nfs/dbraw/zinc/36/45/19/731364519.db2.gz UHFGGTMLCMNSPS-MEFFNOMFSA-N 1 1 363.323 3.373 20 10 FGCDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)s1 ZINC000852773832 731633765 /nfs/dbraw/zinc/63/37/65/731633765.db2.gz GWFHTCXMLMLKIK-HNNXBMFYSA-N 1 1 359.495 3.375 20 10 FGCDMO C[C@H]1C[NH+](CCCC[NH2+]Cc2c([O-])cccc2Br)C[C@H](C)O1 ZINC000858140847 732185003 /nfs/dbraw/zinc/18/50/03/732185003.db2.gz IOYCPFOFFDYVGM-KBPBESRZSA-N 1 1 371.319 3.134 20 10 FGCDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862237906 732794453 /nfs/dbraw/zinc/79/44/53/732794453.db2.gz YPMZJHNFYJDYEI-CYBMUJFWSA-N 1 1 369.303 3.283 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1F ZINC000862395294 732823688 /nfs/dbraw/zinc/82/36/88/732823688.db2.gz ZIDQHVHHBJMESE-OAHLLOKOSA-N 1 1 351.441 3.008 20 10 FGCDMO Cc1cccc(O)c1C[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000876642352 736125325 /nfs/dbraw/zinc/12/53/25/736125325.db2.gz YAPFBOMNZMOSPX-UHFFFAOYSA-N 1 1 363.479 3.005 20 10 FGCDMO Cc1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)sn1 ZINC000877121544 736189631 /nfs/dbraw/zinc/18/96/31/736189631.db2.gz SFQZIFBUHJHZFZ-UHFFFAOYSA-N 1 1 356.539 3.273 20 10 FGCDMO OC1CCN(c2ccc(C[NH2+]Cc3c(F)cc(F)cc3F)cc2)CC1 ZINC000877552755 736683263 /nfs/dbraw/zinc/68/32/63/736683263.db2.gz SWDXCRQBSQGPCM-UHFFFAOYSA-N 1 1 350.384 3.355 20 10 FGCDMO COc1cc(Br)cc(C[NH2+]C2(c3ncccn3)CCC2)c1O ZINC000883307382 737551674 /nfs/dbraw/zinc/55/16/74/737551674.db2.gz RZNYYTVFWLFSEH-UHFFFAOYSA-N 1 1 364.243 3.122 20 10 FGCDMO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000883308334 737551923 /nfs/dbraw/zinc/55/19/23/737551923.db2.gz MYKAZLYBIRAMNU-UWVGGRQHSA-N 1 1 352.283 3.317 20 10 FGCDMO C[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1c(O)cccc1F ZINC000886609172 739274700 /nfs/dbraw/zinc/27/47/00/739274700.db2.gz NMOOBHWZAYZKRA-LLVKDONJSA-N 1 1 365.836 3.468 20 10 FGCDMO C[C@@H](NC(=O)NCc1cccc(Cl)c1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000894107768 742240357 /nfs/dbraw/zinc/24/03/57/742240357.db2.gz QUGFUWJQVQOBOJ-UKRRQHHQSA-N 1 1 365.905 3.498 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](CC(=O)N(C)Cc2cccs2)C2CC2)cc1 ZINC000917073793 758173611 /nfs/dbraw/zinc/17/36/11/758173611.db2.gz AVVJNSPXIGFHQJ-UHFFFAOYSA-N 1 1 357.523 3.437 20 10 FGCDMO CCOCc1cc(C[NH2+]Cc2cn(C)nc2Br)ccc1OC ZINC000922469142 758929746 /nfs/dbraw/zinc/92/97/46/758929746.db2.gz CZUBTVCSAPFQRR-UHFFFAOYSA-N 1 1 368.275 3.018 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1O ZINC000079438205 494455129 /nfs/dbraw/zinc/45/51/29/494455129.db2.gz CEZNTZHZBRYFBS-CQSZACIVSA-N 1 1 368.412 3.156 20 10 FGCDMO COc1ccc(N2CCC[N@@H+](Cc3ccccc3NC(C)=O)CC2)cc1 ZINC000092380832 494610043 /nfs/dbraw/zinc/61/00/43/494610043.db2.gz FCCFCVWTWXRKQB-UHFFFAOYSA-N 1 1 353.466 3.366 20 10 FGCDMO Cc1ncsc1C(=O)N1CCC[N@@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000057104788 494642965 /nfs/dbraw/zinc/64/29/65/494642965.db2.gz RTMFNFSOTUHAOE-UHFFFAOYSA-N 1 1 359.495 3.122 20 10 FGCDMO COc1cccc([C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)c1 ZINC000093079830 494824082 /nfs/dbraw/zinc/82/40/82/494824082.db2.gz UXUFCHREIFFEBR-JOCHJYFZSA-N 1 1 368.477 3.105 20 10 FGCDMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)c1 ZINC000093079830 494824086 /nfs/dbraw/zinc/82/40/86/494824086.db2.gz UXUFCHREIFFEBR-JOCHJYFZSA-N 1 1 368.477 3.105 20 10 FGCDMO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)c1O ZINC000123797147 495188185 /nfs/dbraw/zinc/18/81/85/495188185.db2.gz ONKNHUTUHXBUOF-MRXNPFEDSA-N 1 1 356.470 3.446 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)c1O ZINC000123797147 495188189 /nfs/dbraw/zinc/18/81/89/495188189.db2.gz ONKNHUTUHXBUOF-MRXNPFEDSA-N 1 1 356.470 3.446 20 10 FGCDMO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000159141170 495668472 /nfs/dbraw/zinc/66/84/72/495668472.db2.gz LZTAZQCSQHMCNU-SFHVURJKSA-N 1 1 367.541 3.140 20 10 FGCDMO CC[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(N(C)C)cc1 ZINC000159166751 495674400 /nfs/dbraw/zinc/67/44/00/495674400.db2.gz JNDBWQLDUZNRSA-NRFANRHFSA-N 1 1 367.541 3.140 20 10 FGCDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000175227502 496299573 /nfs/dbraw/zinc/29/95/73/496299573.db2.gz OGMITSXRWONLKQ-LJQANCHMSA-N 1 1 356.514 3.079 20 10 FGCDMO CC[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1O ZINC000157424423 496475280 /nfs/dbraw/zinc/47/52/80/496475280.db2.gz JCIMZCOKTJDUJC-RBUKOAKNSA-N 1 1 353.466 3.405 20 10 FGCDMO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(F)c(F)c3[O-])CC2)nc(C)[nH+]1 ZINC000187748318 496554694 /nfs/dbraw/zinc/55/46/94/496554694.db2.gz GGHCUQRLMPKIMK-LBPRGKRZSA-N 1 1 362.424 3.397 20 10 FGCDMO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(Br)cc1O ZINC000184878270 496568810 /nfs/dbraw/zinc/56/88/10/496568810.db2.gz SMRKXVNOAFINHO-NSHDSACASA-N 1 1 365.275 3.323 20 10 FGCDMO C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(F)cc1O ZINC000185131663 496674368 /nfs/dbraw/zinc/67/43/68/496674368.db2.gz PDJQNAPDNHOXTF-YJYMSZOUSA-N 1 1 358.413 3.500 20 10 FGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000269509906 496962055 /nfs/dbraw/zinc/96/20/55/496962055.db2.gz OIBAVQKWBSCLGR-UHFFFAOYSA-N 1 1 356.495 3.233 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278508370 497138640 /nfs/dbraw/zinc/13/86/40/497138640.db2.gz PGHCQJQDXMBBGI-APPDUMDISA-N 1 1 364.373 3.314 20 10 FGCDMO CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1nccn1C ZINC000271670243 497414359 /nfs/dbraw/zinc/41/43/59/497414359.db2.gz GKNYOTNEFLQESZ-DAYGRLMNSA-N 1 1 360.477 3.414 20 10 FGCDMO C[N@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1cccs1 ZINC000245639728 497484685 /nfs/dbraw/zinc/48/46/85/497484685.db2.gz AOYXSHIQNKHFIF-VMGNRKAOSA-N 1 1 372.490 3.372 20 10 FGCDMO O=C(CC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1)N1CCCC1 ZINC000191256760 497759892 /nfs/dbraw/zinc/75/98/92/497759892.db2.gz QWYBEGZMPBWQLO-UHFFFAOYSA-N 1 1 354.853 3.409 20 10 FGCDMO Nc1nc(Cl)cc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000301209399 498000956 /nfs/dbraw/zinc/00/09/56/498000956.db2.gz SUKDBYMZDDYFAG-LBPRGKRZSA-N 1 1 368.268 3.148 20 10 FGCDMO COc1cccc(OC)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000285453200 498090642 /nfs/dbraw/zinc/09/06/42/498090642.db2.gz MMVDMANCFUQRTB-UHFFFAOYSA-N 1 1 374.456 3.094 20 10 FGCDMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cccc(C)c2O)CC1 ZINC000292710860 498117664 /nfs/dbraw/zinc/11/76/64/498117664.db2.gz DHEZZAMMOKWJHY-UHFFFAOYSA-N 1 1 359.495 3.170 20 10 FGCDMO COCCC[N@@H+](Cc1ccncc1)Cc1cc(Cl)cc(OC)c1O ZINC000289448652 498151480 /nfs/dbraw/zinc/15/14/80/498151480.db2.gz MWMLNUMWMSVFAU-UHFFFAOYSA-N 1 1 350.846 3.488 20 10 FGCDMO CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)c1ccc(F)cc1O ZINC000286154431 498308054 /nfs/dbraw/zinc/30/80/54/498308054.db2.gz OYYACSDVXLIROJ-KRWDZBQOSA-N 1 1 372.506 3.022 20 10 FGCDMO C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NCc1ccc(N2CCOCC2)cc1 ZINC000360963634 498326782 /nfs/dbraw/zinc/32/67/82/498326782.db2.gz YRFAWWHBXJRVLE-XZOQPEGZSA-N 1 1 365.521 3.231 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1O ZINC000294911473 498847280 /nfs/dbraw/zinc/84/72/80/498847280.db2.gz XZSOGSZXNPCIOM-GFCCVEGCSA-N 1 1 354.878 3.168 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCc4ccccc4[C@H]3CO)cc2)CC1 ZINC000294922330 498850095 /nfs/dbraw/zinc/85/00/95/498850095.db2.gz JZWSKGBHZHSMOD-HSZRJFAPSA-N 1 1 366.505 3.394 20 10 FGCDMO COCCOCc1ccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)cc1 ZINC000291360172 498909153 /nfs/dbraw/zinc/90/91/53/498909153.db2.gz XYLNZHXEOKWWIP-OAHLLOKOSA-N 1 1 373.449 3.193 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1F ZINC000295125206 498918848 /nfs/dbraw/zinc/91/88/48/498918848.db2.gz XUYRVPOEORCCIE-GOSISDBHSA-N 1 1 372.488 3.021 20 10 FGCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000367947193 499248558 /nfs/dbraw/zinc/24/85/58/499248558.db2.gz GUKCFVMSCCUMEK-UHFFFAOYSA-N 1 1 355.486 3.017 20 10 FGCDMO CCc1nc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(OC)c3O)C2)no1 ZINC000368708853 499324293 /nfs/dbraw/zinc/32/42/93/499324293.db2.gz XXPQEUSEEJPLPZ-NSHDSACASA-N 1 1 351.834 3.379 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000373608684 499479652 /nfs/dbraw/zinc/47/96/52/499479652.db2.gz LKFBIHAXUZEYCX-QWHCGFSZSA-N 1 1 361.467 3.269 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c(O)c1 ZINC000378382201 499509879 /nfs/dbraw/zinc/50/98/79/499509879.db2.gz YJGWFNDOCKVKEJ-PKOBYXMFSA-N 1 1 359.470 3.003 20 10 FGCDMO CN(Cc1ccccc1O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000375996078 499574749 /nfs/dbraw/zinc/57/47/49/499574749.db2.gz WYPLQYWWYXWKBL-JOCHJYFZSA-N 1 1 367.493 3.446 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc21 ZINC000607689956 506226544 /nfs/dbraw/zinc/22/65/44/506226544.db2.gz USAIYWOLXFRVDG-KBXCAEBGSA-N 1 1 357.498 3.117 20 10 FGCDMO COC1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000435661375 501007865 /nfs/dbraw/zinc/00/78/65/501007865.db2.gz DPQJXYDCFQGLOS-UHFFFAOYSA-N 1 1 369.509 3.045 20 10 FGCDMO CSC[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435874214 501040335 /nfs/dbraw/zinc/04/03/35/501040335.db2.gz IDKKKZMAHVXQDN-OAHLLOKOSA-N 1 1 359.539 3.276 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CSC2(C)C)C1 ZINC000582499213 506259157 /nfs/dbraw/zinc/25/91/57/506259157.db2.gz NLZHTCSXEFVFTJ-IBGZPJMESA-N 1 1 371.550 3.418 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000471478476 502040016 /nfs/dbraw/zinc/04/00/16/502040016.db2.gz AVNQTRKWQQJDHL-GOSISDBHSA-N 1 1 354.454 3.182 20 10 FGCDMO CCN(C[C@H](C)OC)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000462863181 502604571 /nfs/dbraw/zinc/60/45/71/502604571.db2.gz ROPCJCWHIOPUCG-KRWDZBQOSA-N 1 1 371.525 3.291 20 10 FGCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000490234409 503137511 /nfs/dbraw/zinc/13/75/11/503137511.db2.gz DGYXWJKUOFURBF-OAHLLOKOSA-N 1 1 359.514 3.365 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000490406606 503169016 /nfs/dbraw/zinc/16/90/16/503169016.db2.gz HJGKAJOIQAZDPE-RZQQEMMASA-N 1 1 368.525 3.358 20 10 FGCDMO O=C(NCCC[N@@H+](Cc1ccco1)Cc1ccccc1O)C(F)(F)F ZINC000091619247 700422917 /nfs/dbraw/zinc/42/29/17/700422917.db2.gz WGDMMZIZAOXIET-UHFFFAOYSA-N 1 1 356.344 3.056 20 10 FGCDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000093685133 700453390 /nfs/dbraw/zinc/45/33/90/700453390.db2.gz LCDYQNLYIURDBX-CQSZACIVSA-N 1 1 358.404 3.323 20 10 FGCDMO O=C(Nc1ccccn1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000109846978 700537242 /nfs/dbraw/zinc/53/72/42/700537242.db2.gz UXYAOKHHQUMKLE-OAHLLOKOSA-N 1 1 360.845 3.227 20 10 FGCDMO CCC[N@@H+](Cc1cc(C)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000122354362 700688451 /nfs/dbraw/zinc/68/84/51/700688451.db2.gz LYOAVUNNZYMBIS-INIZCTEOSA-N 1 1 353.528 3.397 20 10 FGCDMO C[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)[N@H+](C)C1CC1 ZINC000130806849 700806621 /nfs/dbraw/zinc/80/66/21/700806621.db2.gz XKOHQBLHWOITPO-HUUCEWRRSA-N 1 1 351.922 3.310 20 10 FGCDMO C[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl)[N@@H+](C)C1CC1 ZINC000130806849 700806623 /nfs/dbraw/zinc/80/66/23/700806623.db2.gz XKOHQBLHWOITPO-HUUCEWRRSA-N 1 1 351.922 3.310 20 10 FGCDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCCSc2nccs2)C1 ZINC000152253941 704956752 /nfs/dbraw/zinc/95/67/52/704956752.db2.gz DBBBUTZDGGNTFT-OAHLLOKOSA-N 1 1 370.588 3.437 20 10 FGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCCN(CC(F)F)CC3)c2c1 ZINC000159587093 705227874 /nfs/dbraw/zinc/22/78/74/705227874.db2.gz CUXMVXUNHFSZEI-UHFFFAOYSA-N 1 1 350.409 3.327 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccc(F)cc1O ZINC000184852833 712677224 /nfs/dbraw/zinc/67/72/24/712677224.db2.gz GGGJCJFNLVWZTK-CJNGLKHVSA-N 1 1 350.459 3.317 20 10 FGCDMO C[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C[C@H]1n1ccnc1 ZINC000245737780 713611096 /nfs/dbraw/zinc/61/10/96/713611096.db2.gz FVZKJCMLRRDUTI-SWLSCSKDSA-N 1 1 350.260 3.434 20 10 FGCDMO C[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C[C@H]1n1ccnc1 ZINC000245737780 713611098 /nfs/dbraw/zinc/61/10/98/713611098.db2.gz FVZKJCMLRRDUTI-SWLSCSKDSA-N 1 1 350.260 3.434 20 10 FGCDMO CC(C)(C)OC(=O)NC/C=C\C[NH2+]Cc1cccc(Br)c1O ZINC000309679615 713796340 /nfs/dbraw/zinc/79/63/40/713796340.db2.gz CCRODLSQPZVLOF-PLNGDYQASA-N 1 1 371.275 3.325 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000779201763 724399655 /nfs/dbraw/zinc/39/96/55/724399655.db2.gz VUTPIRCLYJAGQR-OKILXGFUSA-N 1 1 350.459 3.231 20 10 FGCDMO COc1ccc(O)c(C[N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000779201763 724399658 /nfs/dbraw/zinc/39/96/58/724399658.db2.gz VUTPIRCLYJAGQR-OKILXGFUSA-N 1 1 350.459 3.231 20 10 FGCDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000783716721 724780989 /nfs/dbraw/zinc/78/09/89/724780989.db2.gz DQYQCUUFCXBLEI-KRWDZBQOSA-N 1 1 358.404 3.067 20 10 FGCDMO CN(C)c1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1F ZINC000732278948 722483423 /nfs/dbraw/zinc/48/34/23/722483423.db2.gz GNCNTNZQCFGAGM-GOSISDBHSA-N 1 1 363.864 3.464 20 10 FGCDMO c1cc(N2CCCC2)nc(NCc2ccc(N3CCSCC3)cc2)[nH+]1 ZINC000733187195 722493612 /nfs/dbraw/zinc/49/36/12/722493612.db2.gz KVMCNTINIBOOHO-UHFFFAOYSA-N 1 1 355.511 3.242 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000753136972 722886623 /nfs/dbraw/zinc/88/66/23/722886623.db2.gz GIRFJNYZFRWUHM-MOPGFXCFSA-N 1 1 361.555 3.071 20 10 FGCDMO COc1cc(C)cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000754731496 722945061 /nfs/dbraw/zinc/94/50/61/722945061.db2.gz GSCUFNSBVHUMOY-CQSZACIVSA-N 1 1 350.459 3.150 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000754731496 722945062 /nfs/dbraw/zinc/94/50/62/722945062.db2.gz GSCUFNSBVHUMOY-CQSZACIVSA-N 1 1 350.459 3.150 20 10 FGCDMO C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000756441060 722964695 /nfs/dbraw/zinc/96/46/95/722964695.db2.gz HECUSVBKQXZIJX-ZDUSSCGKSA-N 1 1 369.433 3.326 20 10 FGCDMO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1cc(Br)c(F)cc1O ZINC000756775407 722969950 /nfs/dbraw/zinc/96/99/50/722969950.db2.gz HFFFLNVMVWTQFL-BQBZGAKWSA-N 1 1 360.145 3.258 20 10 FGCDMO COc1ccc(N2CC[NH+](C[C@H](O)c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000759047295 722998531 /nfs/dbraw/zinc/99/85/31/722998531.db2.gz DPPFZKXICDJXJN-IBGZPJMESA-N 1 1 364.848 3.343 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1F ZINC000790931309 723195407 /nfs/dbraw/zinc/19/54/07/723195407.db2.gz GKHXWNJENSFEKM-RZQQEMMASA-N 1 1 350.478 3.440 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1F ZINC000790931309 723195410 /nfs/dbraw/zinc/19/54/10/723195410.db2.gz GKHXWNJENSFEKM-RZQQEMMASA-N 1 1 350.478 3.440 20 10 FGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000790961436 723199746 /nfs/dbraw/zinc/19/97/46/723199746.db2.gz DBQZDVDRVKWVHF-UHFFFAOYSA-N 1 1 366.820 3.427 20 10 FGCDMO Cc1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000761981918 723203550 /nfs/dbraw/zinc/20/35/50/723203550.db2.gz JRTOLFMPENWXSK-INIZCTEOSA-N 1 1 362.857 3.270 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c(C(F)(F)F)c1 ZINC000792790992 723368239 /nfs/dbraw/zinc/36/82/39/723368239.db2.gz WBZASJGCTLXVSV-INIZCTEOSA-N 1 1 355.404 3.014 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c(C(F)(F)F)c1 ZINC000792790992 723368241 /nfs/dbraw/zinc/36/82/41/723368241.db2.gz WBZASJGCTLXVSV-INIZCTEOSA-N 1 1 355.404 3.014 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c(C(F)(F)F)c1 ZINC000792800197 723368835 /nfs/dbraw/zinc/36/88/35/723368835.db2.gz VQTQPUQCCUFHGL-ZDUSSCGKSA-N 1 1 357.420 3.249 20 10 FGCDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792831412 723372577 /nfs/dbraw/zinc/37/25/77/723372577.db2.gz GMMWJPXNDHWBRT-AWEZNQCLSA-N 1 1 360.420 3.256 20 10 FGCDMO CCc1cc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793701449 723461863 /nfs/dbraw/zinc/46/18/63/723461863.db2.gz UIDACNXGNPTRKE-OAHLLOKOSA-N 1 1 353.528 3.119 20 10 FGCDMO Oc1cc2c(cc1C[NH+]1CCN(Cc3ccccc3Cl)CC1)OCO2 ZINC000765141668 723484300 /nfs/dbraw/zinc/48/43/00/723484300.db2.gz DZNSGWMQWHZGPC-UHFFFAOYSA-N 1 1 360.841 3.092 20 10 FGCDMO C[NH+](C)[C@@H](C(=O)NCc1cccc(Br)c1O)c1ccccc1 ZINC000765727391 723535430 /nfs/dbraw/zinc/53/54/30/723535430.db2.gz NJVPGYOJNSQFFR-OAHLLOKOSA-N 1 1 363.255 3.074 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000766221970 723562639 /nfs/dbraw/zinc/56/26/39/723562639.db2.gz CWBBHMNBNLVHCS-UHFFFAOYSA-N 1 1 374.172 3.470 20 10 FGCDMO Cc1cc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000766671304 723585809 /nfs/dbraw/zinc/58/58/09/723585809.db2.gz SQIKFNOFUBEBQH-MRXNPFEDSA-N 1 1 353.528 3.397 20 10 FGCDMO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768442231 723657689 /nfs/dbraw/zinc/65/76/89/723657689.db2.gz KUUYMGBJOVFPFS-SFHVURJKSA-N 1 1 363.841 3.372 20 10 FGCDMO C[N@@H+](Cc1ccc(Br)s1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440710 723657744 /nfs/dbraw/zinc/65/77/44/723657744.db2.gz CBHIJTGWWUEKHX-ZDUSSCGKSA-N 1 1 370.268 3.274 20 10 FGCDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc3c(cc1O)OC[C@@H]3O)CCC2 ZINC000768463783 723658440 /nfs/dbraw/zinc/65/84/40/723658440.db2.gz WWNCPDRSLGZRSK-ZBFHGGJFSA-N 1 1 360.479 3.346 20 10 FGCDMO COc1cc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000769803978 723696350 /nfs/dbraw/zinc/69/63/50/723696350.db2.gz DZWBHEUSTCEGRW-QGZVFWFLSA-N 1 1 351.487 3.324 20 10 FGCDMO COc1cc(C[N@H+]2CCO[C@@H](COC(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000769803978 723696355 /nfs/dbraw/zinc/69/63/55/723696355.db2.gz DZWBHEUSTCEGRW-QGZVFWFLSA-N 1 1 351.487 3.324 20 10 FGCDMO COc1c(O)c(C[N@H+](C[C@H]2CCCO2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000774907983 723941412 /nfs/dbraw/zinc/94/14/12/723941412.db2.gz JGZODXUJBJCCDL-OAHLLOKOSA-N 1 1 350.415 3.233 20 10 FGCDMO COc1c(O)c(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000774907983 723941413 /nfs/dbraw/zinc/94/14/13/723941413.db2.gz JGZODXUJBJCCDL-OAHLLOKOSA-N 1 1 350.415 3.233 20 10 FGCDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCC2 ZINC000774910411 723941436 /nfs/dbraw/zinc/94/14/36/723941436.db2.gz ABZDWNMKZLCJEX-GJZGRUSLSA-N 1 1 350.415 3.089 20 10 FGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCC2 ZINC000774910411 723941437 /nfs/dbraw/zinc/94/14/37/723941437.db2.gz ABZDWNMKZLCJEX-GJZGRUSLSA-N 1 1 350.415 3.089 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H](OC)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000775028596 723953801 /nfs/dbraw/zinc/95/38/01/723953801.db2.gz FECVHFIDVHRJRN-OAHLLOKOSA-N 1 1 366.801 3.440 20 10 FGCDMO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1(C)C ZINC000775032283 723954564 /nfs/dbraw/zinc/95/45/64/723954564.db2.gz HASSDSCAXDASRB-HUUCEWRRSA-N 1 1 352.431 3.382 20 10 FGCDMO Oc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000775148217 723964159 /nfs/dbraw/zinc/96/41/59/723964159.db2.gz ZJKDVTIVNQCAOO-GXFFZTMASA-N 1 1 368.193 3.290 20 10 FGCDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000775148217 723964161 /nfs/dbraw/zinc/96/41/61/723964161.db2.gz ZJKDVTIVNQCAOO-GXFFZTMASA-N 1 1 368.193 3.290 20 10 FGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000775662493 724019095 /nfs/dbraw/zinc/01/90/95/724019095.db2.gz TXPVKKLQUUQMDP-RLFYNMQTSA-N 1 1 352.906 3.428 20 10 FGCDMO Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000776775911 724181891 /nfs/dbraw/zinc/18/18/91/724181891.db2.gz QJXMULBIMFIOLK-AWEZNQCLSA-N 1 1 373.254 3.346 20 10 FGCDMO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(C)cc(Br)c2O)cc1 ZINC000786163205 724964500 /nfs/dbraw/zinc/96/45/00/724964500.db2.gz HKEIJZRRTOLKBJ-INIZCTEOSA-N 1 1 364.283 3.465 20 10 FGCDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000809723440 725262929 /nfs/dbraw/zinc/26/29/29/725262929.db2.gz WODPSZQUFADXDI-OAHLLOKOSA-N 1 1 370.877 3.497 20 10 FGCDMO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000809778199 725268014 /nfs/dbraw/zinc/26/80/14/725268014.db2.gz MBLRTHHCYBIGGL-AWEZNQCLSA-N 1 1 369.303 3.201 20 10 FGCDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000809778199 725268015 /nfs/dbraw/zinc/26/80/15/725268015.db2.gz MBLRTHHCYBIGGL-AWEZNQCLSA-N 1 1 369.303 3.201 20 10 FGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1(CCF)CC1 ZINC000810631662 725318774 /nfs/dbraw/zinc/31/87/74/725318774.db2.gz MXNYKXGPHNZEHJ-OAHLLOKOSA-N 1 1 354.853 3.266 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1 ZINC000815154125 727046732 /nfs/dbraw/zinc/04/67/32/727046732.db2.gz BVLGVENVCDKJHK-HNNXBMFYSA-N 1 1 363.255 3.169 20 10 FGCDMO Cc1nsc(N2CCC[N@@H+](Cc3ccc4ccccc4c3O)CC2)n1 ZINC000816515857 727170425 /nfs/dbraw/zinc/17/04/25/727170425.db2.gz MYRISXOUPWJZKJ-UHFFFAOYSA-N 1 1 354.479 3.418 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000816529383 727171802 /nfs/dbraw/zinc/17/18/02/727171802.db2.gz QMXZHPNJVBSKCV-OAHLLOKOSA-N 1 1 370.877 3.409 20 10 FGCDMO COc1ccccc1N1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1=O ZINC000816556379 727175333 /nfs/dbraw/zinc/17/53/33/727175333.db2.gz HRPJDAKYLIPDHZ-AWEZNQCLSA-N 1 1 364.804 3.088 20 10 FGCDMO C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CC(=O)N1Cc1ccccc1 ZINC000816599267 727179013 /nfs/dbraw/zinc/17/90/13/727179013.db2.gz HQOZUZXXGPSYPZ-SJKOYZFVSA-N 1 1 362.832 3.464 20 10 FGCDMO CC(=O)N[C@H]1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000817365719 727244224 /nfs/dbraw/zinc/24/42/24/727244224.db2.gz NNFZOVNHMNYRKG-AWEZNQCLSA-N 1 1 363.255 3.018 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000823442775 729281086 /nfs/dbraw/zinc/28/10/86/729281086.db2.gz IGKHBBZYLVMALS-LJQANCHMSA-N 1 1 360.523 3.358 20 10 FGCDMO COC(=O)c1oc(C[NH2+]Cc2cccc(Br)c2O)cc1C ZINC000825710571 729392498 /nfs/dbraw/zinc/39/24/98/729392498.db2.gz UHQMJIJZZOTECD-UHFFFAOYSA-N 1 1 354.200 3.133 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000825754081 729394078 /nfs/dbraw/zinc/39/40/78/729394078.db2.gz ZJWAQNJHHMZRMS-PBFPGSCMSA-N 1 1 370.287 3.313 20 10 FGCDMO C[N@H+](Cc1ccc(Br)cc1O)C[C@H](O)Cc1ccccc1 ZINC000826003860 729401928 /nfs/dbraw/zinc/40/19/28/729401928.db2.gz XYNAMZXGDDNDTM-MRXNPFEDSA-N 1 1 350.256 3.190 20 10 FGCDMO COC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)CC1 ZINC000827280240 729428001 /nfs/dbraw/zinc/42/80/01/729428001.db2.gz BDWFWBJQJFDTRU-UHFFFAOYSA-N 1 1 361.873 3.436 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H]2CCO)c(C)n1-c1ccc(Cl)cn1 ZINC000828987495 729450763 /nfs/dbraw/zinc/45/07/63/729450763.db2.gz FLWMEBTUDJKARP-INIZCTEOSA-N 1 1 361.873 3.172 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@H]2CCO)c(C)n1-c1ccc(Cl)cn1 ZINC000828987495 729450764 /nfs/dbraw/zinc/45/07/64/729450764.db2.gz FLWMEBTUDJKARP-INIZCTEOSA-N 1 1 361.873 3.172 20 10 FGCDMO CC[C@]1(O)CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C1 ZINC000828992709 729450800 /nfs/dbraw/zinc/45/08/00/729450800.db2.gz XGJSKKQGTWUCGN-IBGZPJMESA-N 1 1 361.873 3.172 20 10 FGCDMO CC[C@]1(O)CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C1 ZINC000828992709 729450801 /nfs/dbraw/zinc/45/08/01/729450801.db2.gz XGJSKKQGTWUCGN-IBGZPJMESA-N 1 1 361.873 3.172 20 10 FGCDMO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(Br)c1O ZINC000835078384 729856872 /nfs/dbraw/zinc/85/68/72/729856872.db2.gz QTGDLJQHTXHFAL-UHFFFAOYSA-N 1 1 359.264 3.111 20 10 FGCDMO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(Br)c1O ZINC000835078384 729856874 /nfs/dbraw/zinc/85/68/74/729856874.db2.gz QTGDLJQHTXHFAL-UHFFFAOYSA-N 1 1 359.264 3.111 20 10 FGCDMO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841754429 730270966 /nfs/dbraw/zinc/27/09/66/730270966.db2.gz RMXFVXYJRIIPSR-KBXCAEBGSA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841754429 730270968 /nfs/dbraw/zinc/27/09/68/730270968.db2.gz RMXFVXYJRIIPSR-KBXCAEBGSA-N 1 1 360.885 3.463 20 10 FGCDMO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000841996726 730286831 /nfs/dbraw/zinc/28/68/31/730286831.db2.gz PGQOBXWBLVBZOA-XYPYZODXSA-N 1 1 360.285 3.263 20 10 FGCDMO CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)C(=O)NCc1cccs1 ZINC000842911074 730555866 /nfs/dbraw/zinc/55/58/66/730555866.db2.gz WTNDPMBQSKZHMU-BMIGLBTASA-N 1 1 354.422 3.478 20 10 FGCDMO COc1cc(Br)cc(CNCCC[N@H+](C)CC(C)C)c1O ZINC000845997344 730916995 /nfs/dbraw/zinc/91/69/95/730916995.db2.gz WYXRHUYBKCJRPP-UHFFFAOYSA-N 1 1 359.308 3.231 20 10 FGCDMO COc1cc(Br)cc(CNCCC[N@@H+](C)CC(C)C)c1O ZINC000845997344 730916996 /nfs/dbraw/zinc/91/69/96/730916996.db2.gz WYXRHUYBKCJRPP-UHFFFAOYSA-N 1 1 359.308 3.231 20 10 FGCDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)C[C@H]1C1CC1 ZINC000846124029 730930594 /nfs/dbraw/zinc/93/05/94/730930594.db2.gz VWPCHWLLVXFELC-UONOGXRCSA-N 1 1 368.271 3.094 20 10 FGCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)C[C@H]1C1CC1 ZINC000846124029 730930597 /nfs/dbraw/zinc/93/05/97/730930597.db2.gz VWPCHWLLVXFELC-UONOGXRCSA-N 1 1 368.271 3.094 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nccc(N)n1 ZINC000846807437 730982524 /nfs/dbraw/zinc/98/25/24/730982524.db2.gz MLPPNRPTGWKCPP-JTQLQIEISA-N 1 1 351.248 3.110 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nccc(N)n1 ZINC000846807437 730982525 /nfs/dbraw/zinc/98/25/25/730982525.db2.gz MLPPNRPTGWKCPP-JTQLQIEISA-N 1 1 351.248 3.110 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nccc(N)n1 ZINC000846807438 730982582 /nfs/dbraw/zinc/98/25/82/730982582.db2.gz MLPPNRPTGWKCPP-SNVBAGLBSA-N 1 1 351.248 3.110 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nccc(N)n1 ZINC000846807438 730982584 /nfs/dbraw/zinc/98/25/84/730982584.db2.gz MLPPNRPTGWKCPP-SNVBAGLBSA-N 1 1 351.248 3.110 20 10 FGCDMO COc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)c1O ZINC000848513531 731173856 /nfs/dbraw/zinc/17/38/56/731173856.db2.gz GTRGWMXSQGDNRT-LLVKDONJSA-N 1 1 359.308 3.402 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000848519354 731174300 /nfs/dbraw/zinc/17/43/00/731174300.db2.gz RKMXCCCYIPXADO-UBHSHLNASA-N 1 1 369.303 3.441 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000848519354 731174302 /nfs/dbraw/zinc/17/43/02/731174302.db2.gz RKMXCCCYIPXADO-UBHSHLNASA-N 1 1 369.303 3.441 20 10 FGCDMO [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357650 731348227 /nfs/dbraw/zinc/34/82/27/731348227.db2.gz QMPUSOMFTPLECA-OAHLLOKOSA-N 1 1 364.848 3.041 20 10 FGCDMO CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cc(Cl)ccc1[O-] ZINC000854231309 731806512 /nfs/dbraw/zinc/80/65/12/731806512.db2.gz JHCUWKYPWQVWOR-KRWDZBQOSA-N 1 1 367.921 3.077 20 10 FGCDMO CO[C@H](CC(C)C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000857471839 732133166 /nfs/dbraw/zinc/13/31/66/732133166.db2.gz CCDSSWCJFMKGIR-SJLPKXTDSA-N 1 1 368.905 3.187 20 10 FGCDMO COc1cccc(OC)c1C[NH2+]Cc1c(O)cccc1Br ZINC000858188982 732190652 /nfs/dbraw/zinc/19/06/52/732190652.db2.gz XOBSAQIREIHFCE-UHFFFAOYSA-N 1 1 352.228 3.462 20 10 FGCDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H]2CCC[C@H]21 ZINC000859951080 732421646 /nfs/dbraw/zinc/42/16/46/732421646.db2.gz JIYPGYZJDAPWEA-ZMSDIMECSA-N 1 1 365.857 3.412 20 10 FGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H]2CCC[C@H]21 ZINC000859951080 732421652 /nfs/dbraw/zinc/42/16/52/732421652.db2.gz JIYPGYZJDAPWEA-ZMSDIMECSA-N 1 1 365.857 3.412 20 10 FGCDMO Cc1c[nH+]cn1CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000861538040 732696491 /nfs/dbraw/zinc/69/64/91/732696491.db2.gz LHZZCVVWAAADID-CQSZACIVSA-N 1 1 360.889 3.398 20 10 FGCDMO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000862245321 732796793 /nfs/dbraw/zinc/79/67/93/732796793.db2.gz NAJNBSWEZNLQHQ-LJQANCHMSA-N 1 1 350.409 3.205 20 10 FGCDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)cc1 ZINC000862245321 732796794 /nfs/dbraw/zinc/79/67/94/732796794.db2.gz NAJNBSWEZNLQHQ-LJQANCHMSA-N 1 1 350.409 3.205 20 10 FGCDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1)C(N)=O ZINC000862383432 732820976 /nfs/dbraw/zinc/82/09/76/732820976.db2.gz SKALSBBWSYOJHQ-LBPRGKRZSA-N 1 1 369.303 3.268 20 10 FGCDMO CC[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(N(C)C)cc1 ZINC000866431293 733347994 /nfs/dbraw/zinc/34/79/94/733347994.db2.gz NPFNEIONPIGOCA-OAHLLOKOSA-N 1 1 351.292 3.490 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000894048200 742231451 /nfs/dbraw/zinc/23/14/51/742231451.db2.gz ZPNNOGNNHGUXLP-UHFFFAOYSA-N 1 1 350.260 3.441 20 10 FGCDMO C[C@](CO)([NH2+]Cc1cc(F)cc(F)c1O)c1cccc(Br)c1 ZINC000898167994 742751809 /nfs/dbraw/zinc/75/18/09/742751809.db2.gz SVDKFJLOWFSFBG-MRXNPFEDSA-N 1 1 372.209 3.430 20 10 FGCDMO N[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C12CCC2 ZINC000925578111 759508217 /nfs/dbraw/zinc/50/82/17/759508217.db2.gz SHLVIADTHONWAC-DLBZAZTESA-N 1 1 351.441 3.116 20 10 FGCDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926557906 759776211 /nfs/dbraw/zinc/77/62/11/759776211.db2.gz APFZXUUHGUFEMK-NSHDSACASA-N 1 1 351.397 3.257 20 10 FGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929186083 760335781 /nfs/dbraw/zinc/33/57/81/760335781.db2.gz XAEDJXZKAGTWCV-SJORKVTESA-N 1 1 358.404 3.065 20 10 FGCDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779022828 724381917 /nfs/dbraw/zinc/38/19/17/724381917.db2.gz IIRZUWSHXYUODH-GFCCVEGCSA-N 1 1 362.367 3.154 20 10 FGCDMO O=C(c1ccccn1)N1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000057103829 494642834 /nfs/dbraw/zinc/64/28/34/494642834.db2.gz HASXHACCKCKUSY-UHFFFAOYSA-N 1 1 361.445 3.289 20 10 FGCDMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(OC)c1O ZINC000093480533 494895785 /nfs/dbraw/zinc/89/57/85/494895785.db2.gz QTHAQIHMDFNUBQ-QGZVFWFLSA-N 1 1 370.449 3.321 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000093740699 494916637 /nfs/dbraw/zinc/91/66/37/494916637.db2.gz OVBYLLKIYOTPRL-UHFFFAOYSA-N 1 1 368.433 3.306 20 10 FGCDMO CN(Cc1cccs1)C(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000096971041 495017771 /nfs/dbraw/zinc/01/77/71/495017771.db2.gz RPOKUMRFNGLDEA-KRWDZBQOSA-N 1 1 374.506 3.093 20 10 FGCDMO CN(Cc1cccs1)C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096971042 495017846 /nfs/dbraw/zinc/01/78/46/495017846.db2.gz RPOKUMRFNGLDEA-QGZVFWFLSA-N 1 1 374.506 3.093 20 10 FGCDMO CCOc1cccc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000179738687 495711753 /nfs/dbraw/zinc/71/17/53/495711753.db2.gz ORJZPEPQECRDAB-CQSZACIVSA-N 1 1 350.459 3.138 20 10 FGCDMO Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)n1-c1ccccn1 ZINC000154795582 495731408 /nfs/dbraw/zinc/73/14/08/495731408.db2.gz NXTTVFGTAKRXJU-MJGOQNOKSA-N 1 1 352.482 3.045 20 10 FGCDMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000183006714 495795658 /nfs/dbraw/zinc/79/56/58/495795658.db2.gz ACVGRMFOQDJQOA-IIBYNOLFSA-N 1 1 366.509 3.375 20 10 FGCDMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cc(F)ccc1O ZINC000186350167 495959870 /nfs/dbraw/zinc/95/98/70/495959870.db2.gz XMMXGZADYWDEDS-SCLBCKFNSA-N 1 1 357.429 3.154 20 10 FGCDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180664335 496093809 /nfs/dbraw/zinc/09/38/09/496093809.db2.gz FHERMLLRUOYGHJ-PKNBQFBNSA-N 1 1 354.450 3.268 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000184680451 496491452 /nfs/dbraw/zinc/49/14/52/496491452.db2.gz ACEAMEJDQJZUPV-UHFFFAOYSA-N 1 1 374.868 3.402 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000184680451 496491457 /nfs/dbraw/zinc/49/14/57/496491457.db2.gz ACEAMEJDQJZUPV-UHFFFAOYSA-N 1 1 374.868 3.402 20 10 FGCDMO COc1cc(O)c(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1OC ZINC000184789760 496532296 /nfs/dbraw/zinc/53/22/96/496532296.db2.gz LYHHRAAASFPDPO-SFHVURJKSA-N 1 1 357.450 3.183 20 10 FGCDMO COCCOc1ccccc1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273302983 496768333 /nfs/dbraw/zinc/76/83/33/496768333.db2.gz BYKFVSDPGGCNQM-CQSZACIVSA-N 1 1 359.422 3.055 20 10 FGCDMO Cc1cc(N2CCC([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3[O-])CC2)nc(C)[nH+]1 ZINC000273566097 496841344 /nfs/dbraw/zinc/84/13/44/496841344.db2.gz JPAVUYCOLZUTDE-CYBMUJFWSA-N 1 1 371.441 3.027 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)ccc1[N+](=O)[O-] ZINC000278548550 497151538 /nfs/dbraw/zinc/15/15/38/497151538.db2.gz YQNHVWYJBOQIKK-LLVKDONJSA-N 1 1 362.430 3.420 20 10 FGCDMO COc1c(O)c(C[NH2+]CCCCOCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278899005 497259980 /nfs/dbraw/zinc/25/99/80/497259980.db2.gz QSAMRHNQFKKYGS-UHFFFAOYSA-N 1 1 360.410 3.396 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)cc2)CC1 ZINC000295953208 497866763 /nfs/dbraw/zinc/86/67/63/497866763.db2.gz ITXWYSSWNXVRFV-NJNPRVFISA-N 1 1 374.525 3.070 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@]4(CCOC4)OC(C)(C)C3)cc2)CC1 ZINC000296087395 497915737 /nfs/dbraw/zinc/91/57/37/497915737.db2.gz SZQKZQKFVFIGBL-QFIPXVFZSA-N 1 1 374.525 3.072 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cc(F)ncc3F)cc2F)C[C@H](C)O1 ZINC000296218907 497960210 /nfs/dbraw/zinc/96/02/10/497960210.db2.gz BUJOEYLXAUUNHZ-BETUJISGSA-N 1 1 365.399 3.402 20 10 FGCDMO COc1cc(O)c(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1OC ZINC000285222248 498025675 /nfs/dbraw/zinc/02/56/75/498025675.db2.gz UYFUAIGMKBBMEB-QYZOEREBSA-N 1 1 369.461 3.414 20 10 FGCDMO CC[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(F)cc1O ZINC000285478366 498100140 /nfs/dbraw/zinc/10/01/40/498100140.db2.gz BGLWHHCIBSWRIS-RDTXWAMCSA-N 1 1 359.445 3.392 20 10 FGCDMO CCOC(=O)c1cnn(C2CC[NH+]([C@H](C)c3ccc(F)cc3O)CC2)c1 ZINC000296641028 498132866 /nfs/dbraw/zinc/13/28/66/498132866.db2.gz YCKCSDRKKVBINB-CYBMUJFWSA-N 1 1 361.417 3.303 20 10 FGCDMO CC[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(F)cc1O ZINC000286121346 498299033 /nfs/dbraw/zinc/29/90/33/498299033.db2.gz OCPJMJPPHGEYSH-MRXNPFEDSA-N 1 1 352.431 3.144 20 10 FGCDMO O=C(Nc1cccnc1)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000365267431 498380453 /nfs/dbraw/zinc/38/04/53/498380453.db2.gz XFRWKAGXXHTMSR-UHFFFAOYSA-N 1 1 363.820 3.430 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000365322264 498404200 /nfs/dbraw/zinc/40/42/00/498404200.db2.gz JAVACOKOSWZXQQ-CQSZACIVSA-N 1 1 362.357 3.452 20 10 FGCDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccc(N3CCC(C)CC3)cc1)C2 ZINC000290670422 498640602 /nfs/dbraw/zinc/64/06/02/498640602.db2.gz DDPAPRHWINGHQT-IBGZPJMESA-N 1 1 366.509 3.307 20 10 FGCDMO COc1c(O)c(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000295137252 498923008 /nfs/dbraw/zinc/92/30/08/498923008.db2.gz YZXZPBXCULILLW-OAHLLOKOSA-N 1 1 366.801 3.128 20 10 FGCDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C2 ZINC000291420496 498933662 /nfs/dbraw/zinc/93/36/62/498933662.db2.gz GTCIDFAIOLZMHW-GOSISDBHSA-N 1 1 354.498 3.257 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](n4cc(C)cn4)C3)cc2)CC1 ZINC000295275934 498963576 /nfs/dbraw/zinc/96/35/76/498963576.db2.gz ZVYNSBRRQRZQCY-FQEVSTJZSA-N 1 1 354.498 3.254 20 10 FGCDMO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295417224 499011342 /nfs/dbraw/zinc/01/13/42/499011342.db2.gz DQZWJUBHXSBTPW-UHFFFAOYSA-N 1 1 361.530 3.040 20 10 FGCDMO CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000371335995 499312699 /nfs/dbraw/zinc/31/26/99/499312699.db2.gz MYNKVAMMJCZOPK-INIZCTEOSA-N 1 1 372.340 3.299 20 10 FGCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000371425591 499325101 /nfs/dbraw/zinc/32/51/01/499325101.db2.gz MGPKETZPXUXPOO-UHFFFAOYSA-N 1 1 369.513 3.326 20 10 FGCDMO Oc1ccccc1C[N@@H+](Cc1nc(-c2ccccn2)no1)C[C@@H]1CCCO1 ZINC000371672566 499353401 /nfs/dbraw/zinc/35/34/01/499353401.db2.gz XAVRILWBLIXJST-INIZCTEOSA-N 1 1 366.421 3.018 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1nc(-c2ccccn2)no1)C[C@@H]1CCCO1 ZINC000371672566 499353403 /nfs/dbraw/zinc/35/34/03/499353403.db2.gz XAVRILWBLIXJST-INIZCTEOSA-N 1 1 366.421 3.018 20 10 FGCDMO Oc1cc2c(cc1C[NH+]1CCC(c3ncc(C(F)(F)F)[nH]3)CC1)OCO2 ZINC000371812327 499368284 /nfs/dbraw/zinc/36/82/84/499368284.db2.gz DWWZGWBMOUOYMU-UHFFFAOYSA-N 1 1 369.343 3.242 20 10 FGCDMO CC[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1ccc(F)cc1O ZINC000375803671 499557234 /nfs/dbraw/zinc/55/72/34/499557234.db2.gz DVPZIPGFBWICJG-IAGOWNOFSA-N 1 1 358.413 3.212 20 10 FGCDMO C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000377698026 499721678 /nfs/dbraw/zinc/72/16/78/499721678.db2.gz PGFUDXHMCUCYDX-INIZCTEOSA-N 1 1 372.340 3.301 20 10 FGCDMO C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000377698026 499721679 /nfs/dbraw/zinc/72/16/79/499721679.db2.gz PGFUDXHMCUCYDX-INIZCTEOSA-N 1 1 372.340 3.301 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@@H+](C)C2CCN(CCc3ccncc3)CC2)c1 ZINC000377865550 499743578 /nfs/dbraw/zinc/74/35/78/499743578.db2.gz SORRPHGUKXEINE-QGZVFWFLSA-N 1 1 369.509 3.496 20 10 FGCDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000486106917 502047961 /nfs/dbraw/zinc/04/79/61/502047961.db2.gz PNRMAUBBEQQRBQ-SFHVURJKSA-N 1 1 371.525 3.366 20 10 FGCDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000472223674 502275781 /nfs/dbraw/zinc/27/57/81/502275781.db2.gz UOUKWJIVAKVVQL-IAGOWNOFSA-N 1 1 354.498 3.255 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CSC[C@@H]2C)C1 ZINC000552669027 505530006 /nfs/dbraw/zinc/53/00/06/505530006.db2.gz YMXRNNXEBDTTFF-MAUKXSAKSA-N 1 1 371.550 3.276 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C3CC3)C2)C1 ZINC000643285373 568527553 /nfs/dbraw/zinc/52/75/53/568527553.db2.gz HGUDQYCRMUTUQH-UHFFFAOYSA-N 1 1 351.494 3.276 20 10 FGCDMO Cc1cc(CC[NH2+]Cc2ccc(-c3nn[nH]n3)o2)c(C)n1-c1ccccc1 ZINC000822200123 599397086 /nfs/dbraw/zinc/39/70/86/599397086.db2.gz VKGSHEKXXSTARN-UHFFFAOYSA-N 1 1 362.437 3.200 20 10 FGCDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000093741989 700453953 /nfs/dbraw/zinc/45/39/53/700453953.db2.gz VDVJDEODVGDEOO-ZDUSSCGKSA-N 1 1 371.319 3.327 20 10 FGCDMO C[C@@](O)(C[NH2+]Cc1cccc(Br)c1O)c1ccc(F)cc1F ZINC000114509100 700578443 /nfs/dbraw/zinc/57/84/43/700578443.db2.gz FSIGDDRODNQYBQ-MRXNPFEDSA-N 1 1 372.209 3.430 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c1O ZINC000124018479 700713742 /nfs/dbraw/zinc/71/37/42/700713742.db2.gz PAFQIUCZWAIJFO-UHFFFAOYSA-N 1 1 368.905 3.038 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1O ZINC000124018479 700713745 /nfs/dbraw/zinc/71/37/45/700713745.db2.gz PAFQIUCZWAIJFO-UHFFFAOYSA-N 1 1 368.905 3.038 20 10 FGCDMO Cc1noc(C)c1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134260806 704817914 /nfs/dbraw/zinc/81/79/14/704817914.db2.gz VEAGTLILHZKEOU-HNNXBMFYSA-N 1 1 363.845 3.045 20 10 FGCDMO Cc1noc(C)c1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134260806 704817920 /nfs/dbraw/zinc/81/79/20/704817920.db2.gz VEAGTLILHZKEOU-HNNXBMFYSA-N 1 1 363.845 3.045 20 10 FGCDMO O=C(Cc1ccsc1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134264168 704818353 /nfs/dbraw/zinc/81/83/53/704818353.db2.gz ANWTZKDKZVKXJS-MRXNPFEDSA-N 1 1 364.898 3.430 20 10 FGCDMO CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000186164328 712711054 /nfs/dbraw/zinc/71/10/54/712711054.db2.gz LLOXORHOSRULKV-UKRRQHHQSA-N 1 1 351.443 3.434 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000779196021 724399303 /nfs/dbraw/zinc/39/93/03/724399303.db2.gz NCRLZPAWLJNJMI-OAHLLOKOSA-N 1 1 357.420 3.033 20 10 FGCDMO Cc1noc(C2(C)CC[NH+](Cc3cccc(Br)c3O)CC2)n1 ZINC000781529081 724572479 /nfs/dbraw/zinc/57/24/79/724572479.db2.gz JRATUVFGVVHZSR-UHFFFAOYSA-N 1 1 366.259 3.400 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000781907361 724610893 /nfs/dbraw/zinc/61/08/93/724610893.db2.gz HFWGGKMHWWSNNE-HNNXBMFYSA-N 1 1 370.287 3.233 20 10 FGCDMO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727367581 722443835 /nfs/dbraw/zinc/44/38/35/722443835.db2.gz VEDNJEIHZYINAK-SFHVURJKSA-N 1 1 357.523 3.440 20 10 FGCDMO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727367581 722443836 /nfs/dbraw/zinc/44/38/36/722443836.db2.gz VEDNJEIHZYINAK-SFHVURJKSA-N 1 1 357.523 3.440 20 10 FGCDMO CCN(CC)c1ccc(CNC(=O)NCC[N@@H+](CC)C(C)C)cc1F ZINC000731364998 722474747 /nfs/dbraw/zinc/47/47/47/722474747.db2.gz YCWKNSDGLCVURV-UHFFFAOYSA-N 1 1 352.498 3.201 20 10 FGCDMO CC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)Cc1cc(Br)ccc1O ZINC000743873026 722572258 /nfs/dbraw/zinc/57/22/58/722572258.db2.gz GOQLYLUDBMHTCM-CYBMUJFWSA-N 1 1 369.303 3.235 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000754729947 722945050 /nfs/dbraw/zinc/94/50/50/722945050.db2.gz HJUOYJAAFRSAKM-AWEZNQCLSA-N 1 1 350.459 3.056 20 10 FGCDMO CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000756443917 722964767 /nfs/dbraw/zinc/96/47/67/722964767.db2.gz JNWKVQQNJMNGNZ-CYBMUJFWSA-N 1 1 366.458 3.069 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCSc2nccs2)c1 ZINC000756586161 722967269 /nfs/dbraw/zinc/96/72/69/722967269.db2.gz QQESXHZDPYXCIS-LLVKDONJSA-N 1 1 352.481 3.468 20 10 FGCDMO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756641907 722968117 /nfs/dbraw/zinc/96/81/17/722968117.db2.gz ZHNGNGPNMQNJQT-MXWKQRLJSA-N 1 1 362.239 3.138 20 10 FGCDMO COc1ccc(C[N@@H+](C)Cc2cc(Br)cc(C)c2O)cn1 ZINC000757912742 722981129 /nfs/dbraw/zinc/98/11/29/722981129.db2.gz DLHKFPHMOIRJFP-UHFFFAOYSA-N 1 1 351.244 3.499 20 10 FGCDMO CCCCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000759048530 722998625 /nfs/dbraw/zinc/99/86/25/722998625.db2.gz KASJTBDXQAMORZ-MRXNPFEDSA-N 1 1 374.934 3.120 20 10 FGCDMO CCCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000759048530 722998626 /nfs/dbraw/zinc/99/86/26/722998626.db2.gz KASJTBDXQAMORZ-MRXNPFEDSA-N 1 1 374.934 3.120 20 10 FGCDMO COc1cc(Cl)cc(C[NH+]2CCN(c3ncc(C)s3)CC2)c1O ZINC000761203504 723132925 /nfs/dbraw/zinc/13/29/25/723132925.db2.gz UVZSMWGYRPKSNP-UHFFFAOYSA-N 1 1 353.875 3.141 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1O ZINC000761216805 723133986 /nfs/dbraw/zinc/13/39/86/723133986.db2.gz XVOSAGCYIPEPAG-GOSISDBHSA-N 1 1 351.805 3.287 20 10 FGCDMO Cc1cccc(C)c1OC[C@H](O)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790956181 723199069 /nfs/dbraw/zinc/19/90/69/723199069.db2.gz PZTDJNNSRREPMY-CYBMUJFWSA-N 1 1 353.821 3.331 20 10 FGCDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765038638 723472272 /nfs/dbraw/zinc/47/22/72/723472272.db2.gz NIARKOIYDLKYKV-ULQDDVLXSA-N 1 1 363.933 3.454 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2Cl)c1 ZINC000765808252 723542220 /nfs/dbraw/zinc/54/22/20/723542220.db2.gz HUGODACGWQQFDQ-CWTRNNRKSA-N 1 1 363.841 3.391 20 10 FGCDMO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(F)cc1O ZINC000796766129 723653926 /nfs/dbraw/zinc/65/39/26/723653926.db2.gz SVHPOEHAIOYAIN-YVEFUNNKSA-N 1 1 355.356 3.290 20 10 FGCDMO CN(C)c1ccc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cc1F ZINC000769319629 723682414 /nfs/dbraw/zinc/68/24/14/723682414.db2.gz VVJQRILEZUODPP-UHFFFAOYSA-N 1 1 351.372 3.240 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cc1F ZINC000769319629 723682415 /nfs/dbraw/zinc/68/24/15/723682415.db2.gz VVJQRILEZUODPP-UHFFFAOYSA-N 1 1 351.372 3.240 20 10 FGCDMO CC1(C2CC[NH+](Cc3cccc(Br)c3O)CC2)OCCO1 ZINC000769398717 723684348 /nfs/dbraw/zinc/68/43/48/723684348.db2.gz BGXCNLSJXNTUOM-UHFFFAOYSA-N 1 1 356.260 3.130 20 10 FGCDMO CCOc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000769398601 723684431 /nfs/dbraw/zinc/68/44/31/723684431.db2.gz UBLZQPOZWVWEBN-CQSZACIVSA-N 1 1 350.459 3.232 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC000769398601 723684432 /nfs/dbraw/zinc/68/44/32/723684432.db2.gz UBLZQPOZWVWEBN-CQSZACIVSA-N 1 1 350.459 3.232 20 10 FGCDMO C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769514800 723688492 /nfs/dbraw/zinc/68/84/92/723688492.db2.gz LPQSLFNLCKLILV-CYBMUJFWSA-N 1 1 353.850 3.118 20 10 FGCDMO C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769514800 723688493 /nfs/dbraw/zinc/68/84/93/723688493.db2.gz LPQSLFNLCKLILV-CYBMUJFWSA-N 1 1 353.850 3.118 20 10 FGCDMO C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769514800 723688494 /nfs/dbraw/zinc/68/84/94/723688494.db2.gz LPQSLFNLCKLILV-CYBMUJFWSA-N 1 1 353.850 3.118 20 10 FGCDMO C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769514800 723688495 /nfs/dbraw/zinc/68/84/95/723688495.db2.gz LPQSLFNLCKLILV-CYBMUJFWSA-N 1 1 353.850 3.118 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1O ZINC000770285207 723710371 /nfs/dbraw/zinc/71/03/71/723710371.db2.gz DSUOVGVUKUVWDA-FZMZJTMJSA-N 1 1 356.260 3.164 20 10 FGCDMO COc1c(O)c(C[NH2+]CCc2cc(F)c(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000775053578 723956476 /nfs/dbraw/zinc/95/64/76/723956476.db2.gz GRQUMIHKKIFVPK-UHFFFAOYSA-N 1 1 356.300 3.059 20 10 FGCDMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000775307532 723981069 /nfs/dbraw/zinc/98/10/69/723981069.db2.gz LUZRGVRKNMXDCO-UHFFFAOYSA-N 1 1 365.882 3.358 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000775662762 724019202 /nfs/dbraw/zinc/01/92/02/724019202.db2.gz HQAMMQBJUNGCJE-AWEZNQCLSA-N 1 1 350.459 3.138 20 10 FGCDMO C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(Cl)c2[O-])c2cccs2)CC1 ZINC000775781023 724060868 /nfs/dbraw/zinc/06/08/68/724060868.db2.gz WPHPPQXNHPYWCT-MRXNPFEDSA-N 1 1 365.930 3.185 20 10 FGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777439014 724225800 /nfs/dbraw/zinc/22/58/00/724225800.db2.gz GIJRYMSXPZKKSB-KRWDZBQOSA-N 1 1 366.230 3.387 20 10 FGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777439014 724225803 /nfs/dbraw/zinc/22/58/03/724225803.db2.gz GIJRYMSXPZKKSB-KRWDZBQOSA-N 1 1 366.230 3.387 20 10 FGCDMO COc1cc(Br)cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000809767804 725266732 /nfs/dbraw/zinc/26/67/32/725266732.db2.gz UOESEPKYJPPDGZ-SWLSCSKDSA-N 1 1 369.303 3.079 20 10 FGCDMO CC[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(C(F)(F)F)cc1O ZINC000810237122 725298838 /nfs/dbraw/zinc/29/88/38/725298838.db2.gz PVYFVKYKUHEFOF-ZDUSSCGKSA-N 1 1 355.364 3.048 20 10 FGCDMO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000819760273 728942885 /nfs/dbraw/zinc/94/28/85/728942885.db2.gz CDLRQJHTKPYELV-MRXNPFEDSA-N 1 1 351.487 3.291 20 10 FGCDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000811514438 725371716 /nfs/dbraw/zinc/37/17/16/725371716.db2.gz KQCXABKGSOYCEO-LLVKDONJSA-N 1 1 364.795 3.245 20 10 FGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1O ZINC000811514438 725371717 /nfs/dbraw/zinc/37/17/17/725371717.db2.gz KQCXABKGSOYCEO-LLVKDONJSA-N 1 1 364.795 3.245 20 10 FGCDMO NC(=O)[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)Cc1ccccc1Cl ZINC000816568360 727176837 /nfs/dbraw/zinc/17/68/37/727176837.db2.gz FEEUNPVYAKZMGC-LBPRGKRZSA-N 1 1 371.239 3.272 20 10 FGCDMO C[C@H]1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CC(=O)N1Cc1ccccc1 ZINC000816599268 727179081 /nfs/dbraw/zinc/17/90/81/727179081.db2.gz HQOZUZXXGPSYPZ-YVEFUNNKSA-N 1 1 362.832 3.464 20 10 FGCDMO COC[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)OCCc2ccccc21 ZINC000816614385 727180680 /nfs/dbraw/zinc/18/06/80/727180680.db2.gz VBCJYLRJCBOWHT-LJQANCHMSA-N 1 1 365.832 3.389 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCCN1 ZINC000817899389 727287379 /nfs/dbraw/zinc/28/73/79/727287379.db2.gz LMLVUBMZWHOHQS-IIDMSEBBSA-N 1 1 353.457 3.377 20 10 FGCDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823404092 729276568 /nfs/dbraw/zinc/27/65/68/729276568.db2.gz LNLCGLMERSORKP-WBVHZDCISA-N 1 1 357.523 3.470 20 10 FGCDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000824593557 729349410 /nfs/dbraw/zinc/34/94/10/729349410.db2.gz PXRWYXXKZMPOBC-LBPRGKRZSA-N 1 1 352.232 3.226 20 10 FGCDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(Br)cc2O)cc1 ZINC000824813987 729359965 /nfs/dbraw/zinc/35/99/65/729359965.db2.gz KJDVISNJHJLZHX-INIZCTEOSA-N 1 1 366.255 3.329 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c1O ZINC000825091004 729370271 /nfs/dbraw/zinc/37/02/71/729370271.db2.gz QRSBRHVRRHZWCO-ZDUSSCGKSA-N 1 1 358.276 3.146 20 10 FGCDMO COC[C@H](CC1CCOCC1)[NH2+]Cc1cccc(Br)c1O ZINC000825710245 729392304 /nfs/dbraw/zinc/39/23/04/729392304.db2.gz JMZWBQJUCXWOEA-AWEZNQCLSA-N 1 1 358.276 3.076 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000826943132 729419543 /nfs/dbraw/zinc/41/95/43/729419543.db2.gz VCBRTCNLOCLGCM-SFHVURJKSA-N 1 1 360.885 3.210 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000826943132 729419544 /nfs/dbraw/zinc/41/95/44/729419544.db2.gz VCBRTCNLOCLGCM-SFHVURJKSA-N 1 1 360.885 3.210 20 10 FGCDMO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cccc(Br)c2O)cc1C ZINC000835073963 729856760 /nfs/dbraw/zinc/85/67/60/729856760.db2.gz PMGNMBIHTHYQKZ-INIZCTEOSA-N 1 1 364.283 3.465 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1cc(F)cc(F)c1O ZINC000840881910 730187419 /nfs/dbraw/zinc/18/74/19/730187419.db2.gz LECXBFJWSGJEOL-MGPLVRAMSA-N 1 1 350.340 3.266 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000840886535 730188174 /nfs/dbraw/zinc/18/81/74/730188174.db2.gz FXQKUAGTHYDJDB-UHFFFAOYSA-N 1 1 351.922 3.002 20 10 FGCDMO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(Cl)cc1O ZINC000841752603 730270825 /nfs/dbraw/zinc/27/08/25/730270825.db2.gz PWOFIXAGBQTQHV-LBPRGKRZSA-N 1 1 374.934 3.289 20 10 FGCDMO CCOC(=O)CC[N@@H+](Cc1cc(Br)cc(OC)c1O)C(C)C ZINC000848927781 731222192 /nfs/dbraw/zinc/22/21/92/731222192.db2.gz NNUMODCNBWNTTQ-UHFFFAOYSA-N 1 1 374.275 3.327 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)c1O ZINC000852091258 731542811 /nfs/dbraw/zinc/54/28/11/731542811.db2.gz GEXZHZXQOUSBMD-GOSISDBHSA-N 1 1 362.857 3.493 20 10 FGCDMO COc1ccc(N2CC[NH+](CCNc3nc(Cl)cs3)CC2)cc1 ZINC000858367830 732208092 /nfs/dbraw/zinc/20/80/92/732208092.db2.gz XUANUJPCVLMQIU-UHFFFAOYSA-N 1 1 352.891 3.039 20 10 FGCDMO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862240738 732795670 /nfs/dbraw/zinc/79/56/70/732795670.db2.gz OIOZKNPISXRVKD-ZDUSSCGKSA-N 1 1 367.287 3.132 20 10 FGCDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1F ZINC000862348259 732812831 /nfs/dbraw/zinc/81/28/31/732812831.db2.gz HWZGVAFIKMXWNG-ZUZCIYMTSA-N 1 1 352.347 3.166 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1F ZINC000862348259 732812832 /nfs/dbraw/zinc/81/28/32/732812832.db2.gz HWZGVAFIKMXWNG-ZUZCIYMTSA-N 1 1 352.347 3.166 20 10 FGCDMO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1F ZINC000862365470 732816259 /nfs/dbraw/zinc/81/62/59/732816259.db2.gz TWWYCYLACKIOPO-VXGBXAGGSA-N 1 1 352.347 3.024 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1F ZINC000862365470 732816260 /nfs/dbraw/zinc/81/62/60/732816260.db2.gz TWWYCYLACKIOPO-VXGBXAGGSA-N 1 1 352.347 3.024 20 10 FGCDMO CN(C)c1cc(F)c(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)cc1F ZINC000862390516 732822769 /nfs/dbraw/zinc/82/27/69/732822769.db2.gz GDJOPMRXMYZEOH-UHFFFAOYSA-N 1 1 365.390 3.489 20 10 FGCDMO CCOCc1cc(C[NH2+]Cc2c(Br)cnn2C)ccc1OC ZINC000865680575 733250825 /nfs/dbraw/zinc/25/08/25/733250825.db2.gz GXBGNWLMJACRII-UHFFFAOYSA-N 1 1 368.275 3.018 20 10 FGCDMO C[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000866435810 733349278 /nfs/dbraw/zinc/34/92/78/733349278.db2.gz GVWIUTRJNIGWCK-KCJUWKMLSA-N 1 1 368.281 3.457 20 10 FGCDMO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2F)C[C@H](C)O1 ZINC000876947000 736166522 /nfs/dbraw/zinc/16/65/22/736166522.db2.gz YQCVJHREBJKMLO-STQMWFEESA-N 1 1 364.852 3.173 20 10 FGCDMO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000882917705 737504153 /nfs/dbraw/zinc/50/41/53/737504153.db2.gz SXBVECBXPROSEP-LSDHHAIUSA-N 1 1 352.203 3.042 20 10 FGCDMO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]Cc1cccc(Br)c1O)O2 ZINC000886341038 739247535 /nfs/dbraw/zinc/24/75/35/739247535.db2.gz OOURSKQANPKIKI-DMVWFOPNSA-N 1 1 370.287 3.217 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](c3ncc(C(=O)OC)s3)C2)c1 ZINC000896970099 742624149 /nfs/dbraw/zinc/62/41/49/742624149.db2.gz QVYFLAYWSNPGPM-GFCCVEGCSA-N 1 1 362.451 3.024 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897616658 742696348 /nfs/dbraw/zinc/69/63/48/742696348.db2.gz VTBRIZWFDYZHAQ-NSHDSACASA-N 1 1 353.344 3.199 20 10 FGCDMO C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[N@H+](C2CCC2)C1 ZINC000908356870 744282106 /nfs/dbraw/zinc/28/21/06/744282106.db2.gz CLIDOSUBIKISEX-GFCCVEGCSA-N 1 1 360.479 3.259 20 10 FGCDMO C[C@@H]([NH2+]C[C@H]1CCN1C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000927106005 759892990 /nfs/dbraw/zinc/89/29/90/759892990.db2.gz NQXSHBYWQOHUBA-TZMCWYRMSA-N 1 1 358.404 3.315 20 10 FGCDMO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1O ZINC000092037832 494764005 /nfs/dbraw/zinc/76/40/05/494764005.db2.gz PWPFKLYTKHBMID-OALUTQOASA-N 1 1 357.450 3.115 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1O ZINC000092037832 494764008 /nfs/dbraw/zinc/76/40/08/494764008.db2.gz PWPFKLYTKHBMID-OALUTQOASA-N 1 1 357.450 3.115 20 10 FGCDMO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000093391863 494884505 /nfs/dbraw/zinc/88/45/05/494884505.db2.gz OJDDVHBRJCPMGZ-MRXNPFEDSA-N 1 1 350.528 3.074 20 10 FGCDMO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000093391863 494884507 /nfs/dbraw/zinc/88/45/07/494884507.db2.gz OJDDVHBRJCPMGZ-MRXNPFEDSA-N 1 1 350.528 3.074 20 10 FGCDMO C[C@@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1cccs1 ZINC000096971112 495017505 /nfs/dbraw/zinc/01/75/05/495017505.db2.gz SDSMBTQPYICTDR-WBVHZDCISA-N 1 1 374.506 3.312 20 10 FGCDMO C[C@@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1cccs1 ZINC000096971112 495017510 /nfs/dbraw/zinc/01/75/10/495017510.db2.gz SDSMBTQPYICTDR-WBVHZDCISA-N 1 1 374.506 3.312 20 10 FGCDMO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1)CN1CCN(C)CC1 ZINC000120783615 495457242 /nfs/dbraw/zinc/45/72/42/495457242.db2.gz WHQWEMFQEHENII-WOJBJXKFSA-N 1 1 358.574 3.211 20 10 FGCDMO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1[O-] ZINC000185414174 495568403 /nfs/dbraw/zinc/56/84/03/495568403.db2.gz OAGJBPUILUOJNE-UKRRQHHQSA-N 1 1 371.319 3.042 20 10 FGCDMO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1[O-] ZINC000185414174 495568407 /nfs/dbraw/zinc/56/84/07/495568407.db2.gz OAGJBPUILUOJNE-UKRRQHHQSA-N 1 1 371.319 3.042 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1O ZINC000180683099 496102431 /nfs/dbraw/zinc/10/24/31/496102431.db2.gz AFDZYSLKCNCYAX-KBPBESRZSA-N 1 1 358.301 3.169 20 10 FGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000177826080 496212522 /nfs/dbraw/zinc/21/25/22/496212522.db2.gz KUJQZIHKUKRGKK-GOSISDBHSA-N 1 1 367.541 3.140 20 10 FGCDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181083747 496264604 /nfs/dbraw/zinc/26/46/04/496264604.db2.gz UONNHKVMILJLHL-JLLINPMKSA-N 1 1 358.482 3.224 20 10 FGCDMO C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(F)cc1O ZINC000185131646 496674349 /nfs/dbraw/zinc/67/43/49/496674349.db2.gz PDJQNAPDNHOXTF-DJJJIMSYSA-N 1 1 358.413 3.500 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc(N3CCCC3=O)c2)c1 ZINC000273296519 496767046 /nfs/dbraw/zinc/76/70/46/496767046.db2.gz AEWCPIBMSDZWJQ-AWEZNQCLSA-N 1 1 368.433 3.156 20 10 FGCDMO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000273398384 496794952 /nfs/dbraw/zinc/79/49/52/496794952.db2.gz MNBVLNTXVIMMES-CQSZACIVSA-N 1 1 370.449 3.169 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)c1 ZINC000273545370 496835531 /nfs/dbraw/zinc/83/55/31/496835531.db2.gz ZEVXGWFSJJTPIE-ZDUSSCGKSA-N 1 1 357.406 3.191 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278104352 497005598 /nfs/dbraw/zinc/00/55/98/497005598.db2.gz ANARXLSHNNWJLM-ZBEGNZNMSA-N 1 1 364.373 3.050 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278312381 497071259 /nfs/dbraw/zinc/07/12/59/497071259.db2.gz XDHWRODDFDPKHM-SFHVURJKSA-N 1 1 372.421 3.255 20 10 FGCDMO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)CC2 ZINC000193019629 497276845 /nfs/dbraw/zinc/27/68/45/497276845.db2.gz COYDRTRDEBXBNF-UWVGGRQHSA-N 1 1 371.268 3.103 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000267479762 497564505 /nfs/dbraw/zinc/56/45/05/497564505.db2.gz YZWYTGVRWIPOII-YLJYHZDGSA-N 1 1 367.493 3.444 20 10 FGCDMO Cc1cc(N2CCC([NH2+]Cc3c([O-])ccc(Cl)c3F)CC2)nc(C)[nH+]1 ZINC000191292206 497770957 /nfs/dbraw/zinc/77/09/57/497770957.db2.gz CJFHNSNSLZDIFW-UHFFFAOYSA-N 1 1 364.852 3.350 20 10 FGCDMO Cc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280801291 497903250 /nfs/dbraw/zinc/90/32/50/497903250.db2.gz SHNWREKJZVZZLQ-QRWLVFNGSA-N 1 1 359.491 3.194 20 10 FGCDMO C[C@@H]1C[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C[N@H+]1Cc1ccccc1 ZINC000361121836 498347791 /nfs/dbraw/zinc/34/77/91/498347791.db2.gz IKEPKILJCADSHE-ACMHHVSHSA-N 1 1 366.461 3.138 20 10 FGCDMO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cc(Br)ccc1O ZINC000282461767 498521862 /nfs/dbraw/zinc/52/18/62/498521862.db2.gz FZPOMLSZUONXTC-SNVBAGLBSA-N 1 1 353.264 3.352 20 10 FGCDMO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000286942191 498562306 /nfs/dbraw/zinc/56/23/06/498562306.db2.gz GYIFEBJMPFNLIZ-UWVGGRQHSA-N 1 1 352.283 3.174 20 10 FGCDMO COC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000287398354 498742285 /nfs/dbraw/zinc/74/22/85/498742285.db2.gz IZCBOYDWDZDDQY-LBPRGKRZSA-N 1 1 358.394 3.208 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC000291006816 498754872 /nfs/dbraw/zinc/75/48/72/498754872.db2.gz DEZHBBJLYFVEJW-UHFFFAOYSA-N 1 1 362.470 3.376 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1O ZINC000294911476 498847733 /nfs/dbraw/zinc/84/77/33/498847733.db2.gz XZSOGSZXNPCIOM-LBPRGKRZSA-N 1 1 354.878 3.168 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598008 499151454 /nfs/dbraw/zinc/15/14/54/499151454.db2.gz FCUVBDYVKKRPEZ-OCCSQVGLSA-N 1 1 358.442 3.023 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)C[C@@H]3CC4(CCC4)C(=O)O3)CC2)cc1 ZINC000372811486 499178003 /nfs/dbraw/zinc/17/80/03/499178003.db2.gz GCOUJJCFFAUBFN-IBGZPJMESA-N 1 1 358.482 3.082 20 10 FGCDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000367350874 499186582 /nfs/dbraw/zinc/18/65/82/499186582.db2.gz YLFTVDRIXQZMPU-RTWAWAEBSA-N 1 1 364.493 3.077 20 10 FGCDMO Cc1nc(CN(C)[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC000370225756 499199284 /nfs/dbraw/zinc/19/92/84/499199284.db2.gz XVLVDOBHWJCOSM-INIZCTEOSA-N 1 1 364.877 3.224 20 10 FGCDMO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1nc(-c2ccc(F)cc2)no1 ZINC000369037034 499359258 /nfs/dbraw/zinc/35/92/58/499359258.db2.gz SWJVNGWZTOJYNB-SNVBAGLBSA-N 1 1 357.341 3.161 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1nnc2n1CCCCC2 ZINC000371984971 499387002 /nfs/dbraw/zinc/38/70/02/499387002.db2.gz QNWBCIONSGFEPL-DLBZAZTESA-N 1 1 369.513 3.253 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c(O)c1 ZINC000378382200 499509888 /nfs/dbraw/zinc/50/98/88/499509888.db2.gz YJGWFNDOCKVKEJ-MJGOQNOKSA-N 1 1 359.470 3.003 20 10 FGCDMO CCn1cnnc1[C@@H]1C[N@H+]([C@H](C)c2cc3c(cc2O)CCCC3)CCO1 ZINC000375752584 499551727 /nfs/dbraw/zinc/55/17/27/499551727.db2.gz BOSWSCVDHPFPTK-KUHUBIRLSA-N 1 1 356.470 3.017 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc21 ZINC000607689959 506228076 /nfs/dbraw/zinc/22/80/76/506228076.db2.gz USAIYWOLXFRVDG-RDTXWAMCSA-N 1 1 357.498 3.117 20 10 FGCDMO CO[C@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(C)C ZINC000435821087 501033852 /nfs/dbraw/zinc/03/38/52/501033852.db2.gz ZWYAOKOPOIZQKC-OAQYLSRUSA-N 1 1 371.525 3.195 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[C@H](C)O2)C1 ZINC000457361582 501687403 /nfs/dbraw/zinc/68/74/03/501687403.db2.gz KRNHMIWTBXXEEN-IRXDYDNUSA-N 1 1 369.509 3.092 20 10 FGCDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)[C@H](C)C1 ZINC000472226192 502277071 /nfs/dbraw/zinc/27/70/71/502277071.db2.gz VGYGCEYLAOPHTI-QAPCUYQASA-N 1 1 356.514 3.358 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)ccc21 ZINC000484695441 502711977 /nfs/dbraw/zinc/71/19/77/502711977.db2.gz NEHISOHOOOWQLW-FPOVZHCZSA-N 1 1 369.509 3.261 20 10 FGCDMO COc1ccc(CC[NH2+]Cc2cc(C)cc(Br)c2O)cn1 ZINC000527793565 503946714 /nfs/dbraw/zinc/94/67/14/503946714.db2.gz MBEUSVQXVQGBJO-UHFFFAOYSA-N 1 1 351.244 3.199 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)ccc21 ZINC000538921037 504416808 /nfs/dbraw/zinc/41/68/08/504416808.db2.gz DKYNPTVDUDOYJZ-IRXDYDNUSA-N 1 1 357.498 3.069 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2ccon2)C1 ZINC000583558238 506847374 /nfs/dbraw/zinc/84/73/74/506847374.db2.gz HQMIUCHSPYHVGK-UHFFFAOYSA-N 1 1 366.465 3.054 20 10 FGCDMO C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927698 604764386 /nfs/dbraw/zinc/76/43/86/604764386.db2.gz BNIQBXMZLBNFDT-HNAYVOBHSA-N 1 1 354.450 3.160 20 10 FGCDMO C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927698 604764388 /nfs/dbraw/zinc/76/43/88/604764388.db2.gz BNIQBXMZLBNFDT-HNAYVOBHSA-N 1 1 354.450 3.160 20 10 FGCDMO C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000830927698 604764391 /nfs/dbraw/zinc/76/43/91/604764391.db2.gz BNIQBXMZLBNFDT-HNAYVOBHSA-N 1 1 354.450 3.160 20 10 FGCDMO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cccc(Br)c1O ZINC000093864102 700455310 /nfs/dbraw/zinc/45/53/10/700455310.db2.gz XWWJXSQJCCSZFI-AWEZNQCLSA-N 1 1 350.260 3.398 20 10 FGCDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cccc(Br)c1O ZINC000093864102 700455312 /nfs/dbraw/zinc/45/53/12/700455312.db2.gz XWWJXSQJCCSZFI-AWEZNQCLSA-N 1 1 350.260 3.398 20 10 FGCDMO c1csc(SCCCNc2ncnc3c2cnn3-c2cc[nH+]cc2)n1 ZINC000119464824 700629990 /nfs/dbraw/zinc/62/99/90/700629990.db2.gz DYNAOAUUZHMSIK-UHFFFAOYSA-N 1 1 369.479 3.261 20 10 FGCDMO C[C@@H](NCC[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000128228143 700772308 /nfs/dbraw/zinc/77/23/08/700772308.db2.gz WPUYYWXZOCSUBI-MRXNPFEDSA-N 1 1 351.922 3.313 20 10 FGCDMO CCC[N@@H+](CC(=O)Nc1nnc(C(C)(C)C)s1)Cc1ccccc1O ZINC000137009979 704866567 /nfs/dbraw/zinc/86/65/67/704866567.db2.gz ZIXGVRHBGJOMIM-UHFFFAOYSA-N 1 1 362.499 3.392 20 10 FGCDMO COc1cc(C[N@@H+](C)Cc2cc(Br)cn2C)c(O)cc1C ZINC000160402592 705252202 /nfs/dbraw/zinc/25/22/02/705252202.db2.gz LOJISMJENSVGJR-UHFFFAOYSA-N 1 1 353.260 3.442 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3CC[C@H](CO)C3)c2C)c1 ZINC000174703406 705515463 /nfs/dbraw/zinc/51/54/63/705515463.db2.gz MYSKLQKFYALHQY-INIZCTEOSA-N 1 1 358.507 3.313 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3CC[C@H](CO)C3)c2C)c1 ZINC000174703406 705515466 /nfs/dbraw/zinc/51/54/66/705515466.db2.gz MYSKLQKFYALHQY-INIZCTEOSA-N 1 1 358.507 3.313 20 10 FGCDMO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccc(F)cc1O ZINC000184852870 712677440 /nfs/dbraw/zinc/67/74/40/712677440.db2.gz GGGJCJFNLVWZTK-CZUORRHYSA-N 1 1 350.459 3.317 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H]21 ZINC000248562499 713653213 /nfs/dbraw/zinc/65/32/13/713653213.db2.gz BBJIJOMFTWHUAT-APHBMKBZSA-N 1 1 350.434 3.266 20 10 FGCDMO COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](OC(F)F)C2)c1O ZINC000802746534 724404035 /nfs/dbraw/zinc/40/40/35/724404035.db2.gz CRYMTDIAOBEAFM-LBPRGKRZSA-N 1 1 351.349 3.146 20 10 FGCDMO COC[C@@H]1CCCC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000768542658 723661083 /nfs/dbraw/zinc/66/10/83/723661083.db2.gz YQVGPAVHAQRHSY-GFCCVEGCSA-N 1 1 358.276 3.412 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000782544647 724681195 /nfs/dbraw/zinc/68/11/95/724681195.db2.gz NNXQWOLIDNILRX-HNNXBMFYSA-N 1 1 350.256 3.156 20 10 FGCDMO [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000708091385 722412597 /nfs/dbraw/zinc/41/25/97/722412597.db2.gz UBSIJPJLRZXUIX-JTQLQIEISA-N 1 1 359.695 3.382 20 10 FGCDMO Cc1cc(CC(=O)NC[C@@H]2CC[N@H+](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000731232648 722474182 /nfs/dbraw/zinc/47/41/82/722474182.db2.gz DNFUFFMDLJBKRJ-INIZCTEOSA-N 1 1 359.901 3.358 20 10 FGCDMO COc1cc(C)nc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000735487044 722516647 /nfs/dbraw/zinc/51/66/47/722516647.db2.gz ANKIZVOCLQQTFS-HNNXBMFYSA-N 1 1 362.861 3.229 20 10 FGCDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(C)cc(C(C)(C)C)c1O ZINC000740854954 722538398 /nfs/dbraw/zinc/53/83/98/722538398.db2.gz KZTFCYPDVWDXHP-OAHLLOKOSA-N 1 1 351.512 3.479 20 10 FGCDMO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCN(Cc3cscn3)CC2)c1 ZINC000748069835 722674053 /nfs/dbraw/zinc/67/40/53/722674053.db2.gz RWGJKYCQUFHREW-UHFFFAOYSA-N 1 1 361.511 3.170 20 10 FGCDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000757664622 722978108 /nfs/dbraw/zinc/97/81/08/722978108.db2.gz ZOTRPCRNNHWGHG-OAHLLOKOSA-N 1 1 362.524 3.111 20 10 FGCDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000757664622 722978109 /nfs/dbraw/zinc/97/81/09/722978109.db2.gz ZOTRPCRNNHWGHG-OAHLLOKOSA-N 1 1 362.524 3.111 20 10 FGCDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792840371 723373419 /nfs/dbraw/zinc/37/34/19/723373419.db2.gz HDHQMBMIGYGVLU-CQSZACIVSA-N 1 1 357.420 3.072 20 10 FGCDMO CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000793700530 723461808 /nfs/dbraw/zinc/46/18/08/723461808.db2.gz SJPJUQDUCAPLIY-ZDUSSCGKSA-N 1 1 359.447 3.158 20 10 FGCDMO COc1ccc(N2CC[NH+](Cc3cccc4nsnc43)CC2)cc1F ZINC000766090268 723555224 /nfs/dbraw/zinc/55/52/24/723555224.db2.gz HGRFUCVUTVJZIY-UHFFFAOYSA-N 1 1 358.442 3.161 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1F ZINC000796035257 723618322 /nfs/dbraw/zinc/61/83/22/723618322.db2.gz CSIULIHMNGITNF-OXJNMPFZSA-N 1 1 350.478 3.442 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1F ZINC000796035257 723618323 /nfs/dbraw/zinc/61/83/23/723618323.db2.gz CSIULIHMNGITNF-OXJNMPFZSA-N 1 1 350.478 3.442 20 10 FGCDMO CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c(O)c1 ZINC000770303849 723710795 /nfs/dbraw/zinc/71/07/95/723710795.db2.gz LRBDEWBPMRIUHE-YJBOKZPZSA-N 1 1 363.479 3.177 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c(O)c1 ZINC000770303849 723710798 /nfs/dbraw/zinc/71/07/98/723710798.db2.gz LRBDEWBPMRIUHE-YJBOKZPZSA-N 1 1 363.479 3.177 20 10 FGCDMO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)s1 ZINC000797138957 723785552 /nfs/dbraw/zinc/78/55/52/723785552.db2.gz BUPIYOYSUZTMPK-GMTAPVOTSA-N 1 1 366.462 3.259 20 10 FGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774545936 723905382 /nfs/dbraw/zinc/90/53/82/723905382.db2.gz CMDXQUWBFJECRN-HXUWFJFHSA-N 1 1 360.885 3.342 20 10 FGCDMO Cn1cc(C[NH2+]Cc2cccc(Br)c2O)c(C(C)(C)C)n1 ZINC000775151559 723964808 /nfs/dbraw/zinc/96/48/08/723964808.db2.gz HYRYGGOPVZBZRT-UHFFFAOYSA-N 1 1 352.276 3.476 20 10 FGCDMO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775665461 724019873 /nfs/dbraw/zinc/01/98/73/724019873.db2.gz CDKWMEZICIZJMG-HUUCEWRRSA-N 1 1 369.912 3.175 20 10 FGCDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)[C@H](O)c1ccc2c(c1)OCO2 ZINC000785583951 724922816 /nfs/dbraw/zinc/92/28/16/724922816.db2.gz SPWITWBXCKYHGL-XYZCENFISA-N 1 1 353.777 3.125 20 10 FGCDMO CN(C)c1ccc(C[N@H+](Cc2cc(Br)nn2C)C2CC2)cc1 ZINC000787086315 725016016 /nfs/dbraw/zinc/01/60/16/725016016.db2.gz HBGISKYSZVTXIF-UHFFFAOYSA-N 1 1 363.303 3.413 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](Cc2cc(Br)nn2C)C2CC2)cc1 ZINC000787086315 725016017 /nfs/dbraw/zinc/01/60/17/725016017.db2.gz HBGISKYSZVTXIF-UHFFFAOYSA-N 1 1 363.303 3.413 20 10 FGCDMO CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1[O-] ZINC000806137051 725117578 /nfs/dbraw/zinc/11/75/78/725117578.db2.gz GIGIDPOSZQHFPE-SFHVURJKSA-N 1 1 353.938 3.360 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000806180333 725119981 /nfs/dbraw/zinc/11/99/81/725119981.db2.gz MSPBMLSXATUBLS-DOMZBBRYSA-N 1 1 363.841 3.259 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000808454782 725202073 /nfs/dbraw/zinc/20/20/73/725202073.db2.gz SUECRUVDJDNZGC-PBHICJAKSA-N 1 1 364.239 3.047 20 10 FGCDMO Cc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)ccc1N(C)C ZINC000815059865 727029121 /nfs/dbraw/zinc/02/91/21/727029121.db2.gz ITGUBECJNPZXHZ-IEBWSBKVSA-N 1 1 360.523 3.447 20 10 FGCDMO Cc1cc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)ccc1N(C)C ZINC000815059865 727029125 /nfs/dbraw/zinc/02/91/25/727029125.db2.gz ITGUBECJNPZXHZ-IEBWSBKVSA-N 1 1 360.523 3.447 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000816530683 727172107 /nfs/dbraw/zinc/17/21/07/727172107.db2.gz QMYMEINXDNLPJP-INIZCTEOSA-N 1 1 364.848 3.175 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000816530294 727172333 /nfs/dbraw/zinc/17/23/33/727172333.db2.gz CGRZUSQBRXBEEA-SFHVURJKSA-N 1 1 364.848 3.348 20 10 FGCDMO O=S(=O)(CCC[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816544494 727173613 /nfs/dbraw/zinc/17/36/13/727173613.db2.gz KGUSZYYEJOKXKQ-UHFFFAOYSA-N 1 1 357.834 3.138 20 10 FGCDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816608378 727180037 /nfs/dbraw/zinc/18/00/37/727180037.db2.gz XUFSKYJDEGUCFQ-QGZVFWFLSA-N 1 1 353.340 3.473 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)[C@@H]2CCCCNC2=O)cc1 ZINC000823422999 729278945 /nfs/dbraw/zinc/27/89/45/729278945.db2.gz APVZOAXZKHFJOD-LJQANCHMSA-N 1 1 357.523 3.485 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000824715787 729356350 /nfs/dbraw/zinc/35/63/50/729356350.db2.gz NOBOUCRXUJIXSM-KFWWJZLASA-N 1 1 370.287 3.289 20 10 FGCDMO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cc(Cl)c(C)cc2O)c1 ZINC000824797366 729359306 /nfs/dbraw/zinc/35/93/06/729359306.db2.gz RXJYUWPLSIDXND-UHFFFAOYSA-N 1 1 365.857 3.366 20 10 FGCDMO OCC[N@@H+](CCc1ccccc1)Cc1ccc(Br)cc1O ZINC000824809835 729359780 /nfs/dbraw/zinc/35/97/80/729359780.db2.gz ZVOSEDWFQAFNJG-UHFFFAOYSA-N 1 1 350.256 3.192 20 10 FGCDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc(Br)cc1O)C2 ZINC000825563500 729387872 /nfs/dbraw/zinc/38/78/72/729387872.db2.gz YLIGNQCOVPFPOR-SFHVURJKSA-N 1 1 373.250 3.251 20 10 FGCDMO Cc1cc(C(=O)C[N@H+](CCO)C2CCC2)c(C)n1-c1ccc(Cl)cn1 ZINC000829114057 729458666 /nfs/dbraw/zinc/45/86/66/729458666.db2.gz UDEKZJOLVYVFJZ-UHFFFAOYSA-N 1 1 361.873 3.172 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+](CCO)C2CCC2)c(C)n1-c1ccc(Cl)cn1 ZINC000829114057 729458670 /nfs/dbraw/zinc/45/86/70/729458670.db2.gz UDEKZJOLVYVFJZ-UHFFFAOYSA-N 1 1 361.873 3.172 20 10 FGCDMO COc1cccc(O)c1C[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000840959776 730197638 /nfs/dbraw/zinc/19/76/38/730197638.db2.gz UXGSKAPESHWCEN-INIZCTEOSA-N 1 1 366.255 3.329 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000841087431 730209176 /nfs/dbraw/zinc/20/91/76/730209176.db2.gz NMTMPLFWHSLBOU-BBRMVZONSA-N 1 1 353.304 3.427 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(Cl)cc1O ZINC000841758646 730271300 /nfs/dbraw/zinc/27/13/00/730271300.db2.gz UOBNDHGISUXYNV-UKRRQHHQSA-N 1 1 351.878 3.376 20 10 FGCDMO C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1O ZINC000841758899 730271367 /nfs/dbraw/zinc/27/13/67/730271367.db2.gz WDFMFMSUGNAGRO-LBPRGKRZSA-N 1 1 358.825 3.383 20 10 FGCDMO CN(C)c1ccc(CN2CCC(OCCC[NH3+])CC2)c(C(F)(F)F)c1 ZINC000843056701 730574541 /nfs/dbraw/zinc/57/45/41/730574541.db2.gz WVJSPSGNIOPNKC-UHFFFAOYSA-N 1 1 359.436 3.101 20 10 FGCDMO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2[O-])C1 ZINC000844912717 730788713 /nfs/dbraw/zinc/78/87/13/730788713.db2.gz WKAPIZUXVRRPPF-BFYDXBDKSA-N 1 1 369.303 3.016 20 10 FGCDMO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)ccc2[O-])C1 ZINC000844912717 730788716 /nfs/dbraw/zinc/78/87/16/730788716.db2.gz WKAPIZUXVRRPPF-BFYDXBDKSA-N 1 1 369.303 3.016 20 10 FGCDMO CCN1CC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848521966 731174870 /nfs/dbraw/zinc/17/48/70/731174870.db2.gz SHDHSPSULRFIQS-VXGBXAGGSA-N 1 1 357.292 3.156 20 10 FGCDMO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)[nH]1 ZINC000848534993 731177139 /nfs/dbraw/zinc/17/71/39/731177139.db2.gz AALQVUZAPFFKLU-BDAKNGLRSA-N 1 1 369.263 3.256 20 10 FGCDMO COc1cccc(NC(=[NH2+])NCc2cccc(Br)c2O)c1 ZINC000849105606 731229935 /nfs/dbraw/zinc/22/99/35/731229935.db2.gz XXOQOQGHIVCWKO-UHFFFAOYSA-N 1 1 350.216 3.300 20 10 FGCDMO COc1cc(Br)cc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1O ZINC000850352019 731347054 /nfs/dbraw/zinc/34/70/54/731347054.db2.gz YSPICPVBTTYSSA-CYBMUJFWSA-N 1 1 357.292 3.126 20 10 FGCDMO COc1cc(Br)cc(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)c1O ZINC000850352019 731347057 /nfs/dbraw/zinc/34/70/57/731347057.db2.gz YSPICPVBTTYSSA-CYBMUJFWSA-N 1 1 357.292 3.126 20 10 FGCDMO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ncnc32)c1O ZINC000850499773 731364871 /nfs/dbraw/zinc/36/48/71/731364871.db2.gz WZMTXAOKEHENHS-OUJBWJOFSA-N 1 1 351.248 3.411 20 10 FGCDMO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c1O ZINC000850499770 731364965 /nfs/dbraw/zinc/36/49/65/731364965.db2.gz WZMTXAOKEHENHS-GBIKHYSHSA-N 1 1 351.248 3.411 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cn(C)nc3Cl)cc2F)C[C@H](C)O1 ZINC000856766088 732056180 /nfs/dbraw/zinc/05/61/80/732056180.db2.gz QTNMKKJXXWICOJ-BETUJISGSA-N 1 1 366.868 3.116 20 10 FGCDMO Cc1cc(O)c(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1Cl ZINC000857058945 732098736 /nfs/dbraw/zinc/09/87/36/732098736.db2.gz VTANFNUDKYNJAU-INIZCTEOSA-N 1 1 351.855 3.113 20 10 FGCDMO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000862348909 732812466 /nfs/dbraw/zinc/81/24/66/732812466.db2.gz YMNNOJIUOHFBOW-RNCFNFMXSA-N 1 1 368.193 3.290 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1 ZINC000865780204 733268585 /nfs/dbraw/zinc/26/85/85/733268585.db2.gz UMLKXEITEDASKI-CQSZACIVSA-N 1 1 370.287 3.138 20 10 FGCDMO Cc1cccc(O)c1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000877464424 736222516 /nfs/dbraw/zinc/22/25/16/736222516.db2.gz JBUJGJHLEOHQMH-UHFFFAOYSA-N 1 1 372.416 3.283 20 10 FGCDMO CCOc1c(OC)cc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1OC ZINC000882944278 737505291 /nfs/dbraw/zinc/50/52/91/737505291.db2.gz ASEVAUVHTIHKKY-UHFFFAOYSA-N 1 1 353.365 3.376 20 10 FGCDMO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000883308333 737551897 /nfs/dbraw/zinc/55/18/97/737551897.db2.gz MYKAZLYBIRAMNU-NXEZZACHSA-N 1 1 352.283 3.317 20 10 FGCDMO Fc1cc(C[NH2+]Cc2ccc(Cl)cn2)cc(F)c1N1CCOCC1 ZINC000886143216 739222940 /nfs/dbraw/zinc/22/29/40/739222940.db2.gz WQKYRSLSWRTPRG-UHFFFAOYSA-N 1 1 353.800 3.140 20 10 FGCDMO C[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1c(O)cccc1F ZINC000886609173 739274581 /nfs/dbraw/zinc/27/45/81/739274581.db2.gz NMOOBHWZAYZKRA-NSHDSACASA-N 1 1 365.836 3.468 20 10 FGCDMO C[C@@H](C[NH2+][C@H](C)c1c(O)cccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000886646975 739278345 /nfs/dbraw/zinc/27/83/45/739278345.db2.gz ZLVQQAGYEHLKOF-QWHCGFSZSA-N 1 1 351.443 3.389 20 10 FGCDMO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cccc(Br)c3O)C2)n1 ZINC000897579237 742691550 /nfs/dbraw/zinc/69/15/50/742691550.db2.gz RLLKMIMYHPJTRF-LBPRGKRZSA-N 1 1 366.259 3.301 20 10 FGCDMO Cc1noc(C[C@@H]2CCC[N@@H+](Cc3cccc(Br)c3O)C2)n1 ZINC000897579237 742691552 /nfs/dbraw/zinc/69/15/52/742691552.db2.gz RLLKMIMYHPJTRF-LBPRGKRZSA-N 1 1 366.259 3.301 20 10 FGCDMO COc1cccc(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1O ZINC000897616649 742695915 /nfs/dbraw/zinc/69/59/15/742695915.db2.gz VNMGNCLJVMAQIN-GFCCVEGCSA-N 1 1 353.344 3.199 20 10 FGCDMO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)CCC4)C2)s1 ZINC000902439667 743743642 /nfs/dbraw/zinc/74/36/42/743743642.db2.gz UDGRBVIWTCDIRR-CQSZACIVSA-N 1 1 358.463 3.114 20 10 FGCDMO COC(=O)c1ccc([C@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000091530984 494611818 /nfs/dbraw/zinc/61/18/18/494611818.db2.gz VXVUOGVVECXCRU-HNNXBMFYSA-N 1 1 358.438 3.096 20 10 FGCDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092010341 494753030 /nfs/dbraw/zinc/75/30/30/494753030.db2.gz FQJJUQJBEJYRHX-FPOVZHCZSA-N 1 1 368.525 3.356 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)c1O ZINC000093385794 494883140 /nfs/dbraw/zinc/88/31/40/494883140.db2.gz MSCSAYWWTIATGW-UHFFFAOYSA-N 1 1 360.479 3.201 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC000093505244 494896243 /nfs/dbraw/zinc/89/62/43/494896243.db2.gz NNFINZFPVUGZKE-BXUZGUMPSA-N 1 1 356.260 3.164 20 10 FGCDMO CC(=O)c1cc(F)cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1O ZINC000185447402 495580557 /nfs/dbraw/zinc/58/05/57/495580557.db2.gz JXPZMTAUENAOLL-LJQANCHMSA-N 1 1 371.387 3.486 20 10 FGCDMO C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1cc(F)ccc1O ZINC000186350182 495959054 /nfs/dbraw/zinc/95/90/54/495959054.db2.gz XMMXGZADYWDEDS-FZKQIMNGSA-N 1 1 357.429 3.154 20 10 FGCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183467678 495996847 /nfs/dbraw/zinc/99/68/47/495996847.db2.gz IKHSIRHXQSQBEQ-VQIMIIECSA-N 1 1 368.477 3.057 20 10 FGCDMO C[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000162490925 496360990 /nfs/dbraw/zinc/36/09/90/496360990.db2.gz SNELSLKOVIMOCW-SFHVURJKSA-N 1 1 362.537 3.104 20 10 FGCDMO C[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000162543371 496370525 /nfs/dbraw/zinc/37/05/25/496370525.db2.gz YEPVSIWCMARBLK-FQEVSTJZSA-N 1 1 358.574 3.355 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(N3CCCCC3)c2)c1 ZINC000273375797 496787671 /nfs/dbraw/zinc/78/76/71/496787671.db2.gz HDQDNWFSDCKDBU-OAHLLOKOSA-N 1 1 369.465 3.415 20 10 FGCDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c(O)c1C ZINC000273424971 496803045 /nfs/dbraw/zinc/80/30/45/496803045.db2.gz TUWSVTMTSNLQTE-QGZVFWFLSA-N 1 1 354.498 3.007 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOc3ccc(OC)cc32)c1 ZINC000274367219 497080532 /nfs/dbraw/zinc/08/05/32/497080532.db2.gz JVEWSWAYKKGDOW-PXAZEXFGSA-N 1 1 357.406 3.362 20 10 FGCDMO Cn1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(C(F)F)n1 ZINC000274524858 497118019 /nfs/dbraw/zinc/11/80/19/497118019.db2.gz ZKFBPGJANIIOEK-OAHLLOKOSA-N 1 1 351.397 3.245 20 10 FGCDMO COc1c(O)c(C[NH2+]Cc2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000278866590 497247207 /nfs/dbraw/zinc/24/72/07/497247207.db2.gz MMLNMSVKGCIASN-UHFFFAOYSA-N 1 1 354.309 3.200 20 10 FGCDMO COc1cc(Cl)cc(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1O ZINC000279035490 497312041 /nfs/dbraw/zinc/31/20/41/497312041.db2.gz NZAPZGXMKNHFHD-LLVKDONJSA-N 1 1 373.844 3.394 20 10 FGCDMO CC[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1nccn1C ZINC000271670249 497414315 /nfs/dbraw/zinc/41/43/15/497414315.db2.gz GKNYOTNEFLQESZ-RVKKMQEKSA-N 1 1 360.477 3.414 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000267479758 497564620 /nfs/dbraw/zinc/56/46/20/497564620.db2.gz YZWYTGVRWIPOII-XLIONFOSSA-N 1 1 367.493 3.444 20 10 FGCDMO Cc1[nH+]ccn1CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000299612794 497868854 /nfs/dbraw/zinc/86/88/54/497868854.db2.gz HTPATTYOPVPMCR-UHFFFAOYSA-N 1 1 355.486 3.023 20 10 FGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c2nccn21 ZINC000296164403 497940916 /nfs/dbraw/zinc/94/09/16/497940916.db2.gz XIQPBTNLKJUQLU-ATNYBXOESA-N 1 1 358.461 3.431 20 10 FGCDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c2nccn21 ZINC000296164413 497941079 /nfs/dbraw/zinc/94/10/79/497941079.db2.gz XIQPBTNLKJUQLU-OIPACUDHSA-N 1 1 358.461 3.431 20 10 FGCDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)Cc1ccc(N3CCCCC3)cc1)C2 ZINC000289469133 498159642 /nfs/dbraw/zinc/15/96/42/498159642.db2.gz HCWFNJMQBGASSZ-LJQANCHMSA-N 1 1 366.509 3.403 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ncc(Cl)n3C)cc2F)C[C@@H](C)O1 ZINC000281604371 498210488 /nfs/dbraw/zinc/21/04/88/498210488.db2.gz GCLVLMNFAUPNRU-CHWSQXEVSA-N 1 1 366.868 3.116 20 10 FGCDMO Cc1cc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c(C)n1-c1ccccn1 ZINC000361364596 498380040 /nfs/dbraw/zinc/38/00/40/498380040.db2.gz BUAKSULRNIBAMS-YSIASYRMSA-N 1 1 364.493 3.045 20 10 FGCDMO C[C@H]1CN(c2ccc(CNC3CC[NH+](C4CC4)CC3)cc2F)C[C@H](C)O1 ZINC000298549944 498810885 /nfs/dbraw/zinc/81/08/85/498810885.db2.gz UOKQMAMIRDAJQA-HOTGVXAUSA-N 1 1 361.505 3.156 20 10 FGCDMO C[N@H+]1CC[C@H](CNC(=O)Cc2ccc(N)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000366332267 498877806 /nfs/dbraw/zinc/87/78/06/498877806.db2.gz YWWBJEAIWLFANX-UZLBHIALSA-N 1 1 357.885 3.274 20 10 FGCDMO COc1c(O)c(C[NH2+]Cc2ccnc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000295011314 498879284 /nfs/dbraw/zinc/87/92/84/498879284.db2.gz JLGIPSUHVUUQRI-UHFFFAOYSA-N 1 1 357.288 3.013 20 10 FGCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000291574672 498996377 /nfs/dbraw/zinc/99/63/77/498996377.db2.gz ZRDAUZNSJZSADW-UHFFFAOYSA-N 1 1 370.497 3.387 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372588618 499150126 /nfs/dbraw/zinc/15/01/26/499150126.db2.gz CGPAUWVGGLODPG-CABCVRRESA-N 1 1 374.485 3.175 20 10 FGCDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000370499053 499226264 /nfs/dbraw/zinc/22/62/64/499226264.db2.gz KJGAWBHRXNCYMI-QGZVFWFLSA-N 1 1 354.450 3.225 20 10 FGCDMO COc1cc(Br)cc(CN2CCCC23CC[NH+](C)CC3)c1O ZINC000368948522 499349599 /nfs/dbraw/zinc/34/95/99/499349599.db2.gz CSGGRVZFWLKZOG-UHFFFAOYSA-N 1 1 369.303 3.224 20 10 FGCDMO Cc1cnc(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)s1 ZINC000369312542 499390393 /nfs/dbraw/zinc/39/03/93/499390393.db2.gz QDFVTIGRDNCAGI-UHFFFAOYSA-N 1 1 372.538 3.013 20 10 FGCDMO COCc1nccc([C@@H]2CCC[N@H+]([C@H](C)c3cc(OC)ccc3O)C2)n1 ZINC000373609418 499479715 /nfs/dbraw/zinc/47/97/15/499479715.db2.gz NZXIYBUFECDJRM-HUUCEWRRSA-N 1 1 357.454 3.278 20 10 FGCDMO Cc1[nH+]c(CNC(=O)NCc2ccc(N3CCCC3)cc2)c2n1CCCC2 ZINC000378393723 499511361 /nfs/dbraw/zinc/51/13/61/499511361.db2.gz IFUVOFDESSMFND-UHFFFAOYSA-N 1 1 367.497 3.127 20 10 FGCDMO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000378499735 499524705 /nfs/dbraw/zinc/52/47/05/499524705.db2.gz RQAHHLCEBBMGTK-CQSZACIVSA-N 1 1 355.373 3.099 20 10 FGCDMO Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000378499735 499524707 /nfs/dbraw/zinc/52/47/07/499524707.db2.gz RQAHHLCEBBMGTK-CQSZACIVSA-N 1 1 355.373 3.099 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CS[C@@H](C)C2)C1 ZINC000412614894 499869045 /nfs/dbraw/zinc/86/90/45/499869045.db2.gz QVQVXQLFZXFYAT-JKSUJKDBSA-N 1 1 371.550 3.418 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](C)[C@@H]2C)C1 ZINC000435911266 501045265 /nfs/dbraw/zinc/04/52/65/501045265.db2.gz KGCODUPZVHCSMQ-IRXDYDNUSA-N 1 1 369.509 3.044 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000471907626 502169255 /nfs/dbraw/zinc/16/92/55/502169255.db2.gz BYBKGNKQQZHAIE-INIZCTEOSA-N 1 1 354.498 3.303 20 10 FGCDMO CO[C@H]1C[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000557444070 505136221 /nfs/dbraw/zinc/13/62/21/505136221.db2.gz KTONNXPCKRDILQ-CALCHBBNSA-N 1 1 369.509 3.044 20 10 FGCDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000821610856 607386782 /nfs/dbraw/zinc/38/67/82/607386782.db2.gz HXGKIZATRHCQSM-UHFFFAOYSA-N 1 1 352.442 3.082 20 10 FGCDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000821610856 607386783 /nfs/dbraw/zinc/38/67/83/607386783.db2.gz HXGKIZATRHCQSM-UHFFFAOYSA-N 1 1 352.442 3.082 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646606 700453043 /nfs/dbraw/zinc/45/30/43/700453043.db2.gz HVYQCXOOSUUVAN-PMACEKPBSA-N 1 1 364.555 3.465 20 10 FGCDMO Oc1cccc(Cl)c1C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000128316481 700773369 /nfs/dbraw/zinc/77/33/69/700773369.db2.gz QXHKUEHDFMAYRX-UHFFFAOYSA-N 1 1 352.265 3.412 20 10 FGCDMO CC(C)C[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000131850974 700820669 /nfs/dbraw/zinc/82/06/69/700820669.db2.gz YAFIESMHYFDPFG-AEFFLSMTSA-N 1 1 351.510 3.289 20 10 FGCDMO COc1cccc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1O ZINC000179450530 705702394 /nfs/dbraw/zinc/70/23/94/705702394.db2.gz UJPZSAFKDHRHPQ-CQSZACIVSA-N 1 1 350.459 3.090 20 10 FGCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000179562182 705705481 /nfs/dbraw/zinc/70/54/81/705705481.db2.gz WECYXTJTPOBANN-AWEZNQCLSA-N 1 1 355.356 3.283 20 10 FGCDMO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)[C@H](C)C1 ZINC000185461216 712694753 /nfs/dbraw/zinc/69/47/53/712694753.db2.gz JUDBJQKFGAVJOQ-GJYPPUQNSA-N 1 1 350.503 3.188 20 10 FGCDMO C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249740812 713669460 /nfs/dbraw/zinc/66/94/60/713669460.db2.gz IXVHOBJYZMWYFY-IXDOHACOSA-N 1 1 361.555 3.117 20 10 FGCDMO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1C(C)C ZINC000732798444 722488603 /nfs/dbraw/zinc/48/86/03/722488603.db2.gz MRGKLNZMPUKQTM-OAHLLOKOSA-N 1 1 358.404 3.419 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000735744551 722519069 /nfs/dbraw/zinc/51/90/69/722519069.db2.gz SVGAVFUEYWFABO-INIZCTEOSA-N 1 1 357.420 3.128 20 10 FGCDMO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1c(O)ccc2ccncc21 ZINC000738155614 722528931 /nfs/dbraw/zinc/52/89/31/722528931.db2.gz FMLBOTLXUJFJTR-UHFFFAOYSA-N 1 1 350.344 3.331 20 10 FGCDMO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1c(O)ccc2ccncc21 ZINC000738155614 722528932 /nfs/dbraw/zinc/52/89/32/722528932.db2.gz FMLBOTLXUJFJTR-UHFFFAOYSA-N 1 1 350.344 3.331 20 10 FGCDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000740856908 722538509 /nfs/dbraw/zinc/53/85/09/722538509.db2.gz XNSOIAYVMJGWIV-CQSZACIVSA-N 1 1 361.463 3.035 20 10 FGCDMO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756461094 722965009 /nfs/dbraw/zinc/96/50/09/722965009.db2.gz SDGTVLSIDLXILM-HIFRSBDPSA-N 1 1 351.393 3.378 20 10 FGCDMO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cc(F)cc(F)c1O ZINC000756475889 722965306 /nfs/dbraw/zinc/96/53/06/722965306.db2.gz PIMJCGUHOAISCB-GFCCVEGCSA-N 1 1 355.406 3.185 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(F)c3O)C[C@H]12 ZINC000757999606 722982689 /nfs/dbraw/zinc/98/26/89/722982689.db2.gz SYXOKMXWJUPKAE-IVMMDQJWSA-N 1 1 350.434 3.266 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@H]12 ZINC000757999606 722982690 /nfs/dbraw/zinc/98/26/90/722982690.db2.gz SYXOKMXWJUPKAE-IVMMDQJWSA-N 1 1 350.434 3.266 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)CCN2CCOC(C)(C)C2)c1 ZINC000789765319 723071908 /nfs/dbraw/zinc/07/19/08/723071908.db2.gz MIFJAZPAMLIWPP-UHFFFAOYSA-N 1 1 371.319 3.006 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)CCN2CCOC(C)(C)C2)c1 ZINC000789765319 723071910 /nfs/dbraw/zinc/07/19/10/723071910.db2.gz MIFJAZPAMLIWPP-UHFFFAOYSA-N 1 1 371.319 3.006 20 10 FGCDMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccc(O)c1O ZINC000790462241 723142809 /nfs/dbraw/zinc/14/28/09/723142809.db2.gz LAZJNPMRIODAHM-MRXNPFEDSA-N 1 1 360.841 3.318 20 10 FGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000790948122 723197836 /nfs/dbraw/zinc/19/78/36/723197836.db2.gz XALMYVSZJLEVLR-UHFFFAOYSA-N 1 1 356.869 3.309 20 10 FGCDMO C[NH+](C)Cc1cnc(CNCc2ccc(N3CCSCC3)cc2)s1 ZINC000796264862 723629069 /nfs/dbraw/zinc/62/90/69/723629069.db2.gz ABZBOSMYDQBNTC-UHFFFAOYSA-N 1 1 362.568 3.048 20 10 FGCDMO O=C(c1ccsc1)N1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000768442796 723657630 /nfs/dbraw/zinc/65/76/30/723657630.db2.gz NYCSSRTXSZTCBU-UHFFFAOYSA-N 1 1 356.491 3.291 20 10 FGCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccc(Cl)cc3)C1)[C@H](O)CO2 ZINC000768441582 723657731 /nfs/dbraw/zinc/65/77/31/723657731.db2.gz DTHBKDYWCQTDBT-IEBWSBKVSA-N 1 1 361.825 3.045 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccc(Cl)cc3)C1)[C@H](O)CO2 ZINC000768441582 723657732 /nfs/dbraw/zinc/65/77/32/723657732.db2.gz DTHBKDYWCQTDBT-IEBWSBKVSA-N 1 1 361.825 3.045 20 10 FGCDMO CCOC(=O)C[N@H+](Cc1cc(Br)cc(C)c1O)C1CCC1 ZINC000768531056 723660594 /nfs/dbraw/zinc/66/05/94/723660594.db2.gz RMSAXMPPEIQVDT-UHFFFAOYSA-N 1 1 356.260 3.381 20 10 FGCDMO CCOC(=O)C[N@@H+](Cc1cc(Br)cc(C)c1O)C1CCC1 ZINC000768531056 723660595 /nfs/dbraw/zinc/66/05/95/723660595.db2.gz RMSAXMPPEIQVDT-UHFFFAOYSA-N 1 1 356.260 3.381 20 10 FGCDMO O=C(/C=C\c1ccco1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911116 723671914 /nfs/dbraw/zinc/67/19/14/723671914.db2.gz CCUZORLQNLCZHB-IOBAAEILSA-N 1 1 360.841 3.433 20 10 FGCDMO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000771054508 723726876 /nfs/dbraw/zinc/72/68/76/723726876.db2.gz URUCOZYECHSIJV-MFKMUULPSA-N 1 1 364.795 3.325 20 10 FGCDMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c(C)[nH]1 ZINC000771066168 723727172 /nfs/dbraw/zinc/72/71/72/723727172.db2.gz OQISMIOAAJPDCK-INIZCTEOSA-N 1 1 361.873 3.385 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1ccc(F)cc1O ZINC000774397136 723888745 /nfs/dbraw/zinc/88/87/45/723888745.db2.gz RCAVILXRHLFNTK-PWSUYJOCSA-N 1 1 357.347 3.450 20 10 FGCDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1F ZINC000774820588 723933094 /nfs/dbraw/zinc/93/30/94/723933094.db2.gz BXQNMZHDVOJZJA-UHFFFAOYSA-N 1 1 350.346 3.089 20 10 FGCDMO CCCCN1CCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775012361 723951674 /nfs/dbraw/zinc/95/16/74/723951674.db2.gz HDBIHVYQXPQVJB-OAHLLOKOSA-N 1 1 351.447 3.053 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1 ZINC000775738324 724035199 /nfs/dbraw/zinc/03/51/99/724035199.db2.gz ANNSUMRIPXRENT-KBPBESRZSA-N 1 1 350.459 3.136 20 10 FGCDMO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000775992988 724094620 /nfs/dbraw/zinc/09/46/20/724094620.db2.gz OEORFLATUANTMX-CRAIPNDOSA-N 1 1 353.846 3.460 20 10 FGCDMO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000800533363 724209881 /nfs/dbraw/zinc/20/98/81/724209881.db2.gz BRFLMYGBZVKWFS-LJQANCHMSA-N 1 1 350.528 3.076 20 10 FGCDMO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000800533363 724209883 /nfs/dbraw/zinc/20/98/83/724209883.db2.gz BRFLMYGBZVKWFS-LJQANCHMSA-N 1 1 350.528 3.076 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000787025222 725013731 /nfs/dbraw/zinc/01/37/31/725013731.db2.gz JHYOULTVEGHNEQ-BMLIUANNSA-N 1 1 367.804 3.356 20 10 FGCDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000787424103 725027924 /nfs/dbraw/zinc/02/79/24/725027924.db2.gz HQFFKDIAZXIFNK-OAHLLOKOSA-N 1 1 367.287 3.130 20 10 FGCDMO Oc1cc2c(cc1C[N@@H+]1CCc3ccc(Br)cc3C1)OCO2 ZINC000789467938 725130538 /nfs/dbraw/zinc/13/05/38/725130538.db2.gz KBSBXRFEQYGGHH-UHFFFAOYSA-N 1 1 362.223 3.442 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCc3ccc(Br)cc3C1)OCO2 ZINC000789467938 725130539 /nfs/dbraw/zinc/13/05/39/725130539.db2.gz KBSBXRFEQYGGHH-UHFFFAOYSA-N 1 1 362.223 3.442 20 10 FGCDMO Cc1cc(Cl)cc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1O ZINC000809751000 725264889 /nfs/dbraw/zinc/26/48/89/725264889.db2.gz MQMVCKSYUMMFNF-DFNIBXOVSA-N 1 1 363.933 3.097 20 10 FGCDMO COc1cc(Br)cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000809767803 725266745 /nfs/dbraw/zinc/26/67/45/725266745.db2.gz UOESEPKYJPPDGZ-IUODEOHRSA-N 1 1 369.303 3.079 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2ncccc2N(C)C)c1 ZINC000810167228 725294173 /nfs/dbraw/zinc/29/41/73/725294173.db2.gz ACMVCLUNMIJHSD-UHFFFAOYSA-N 1 1 350.260 3.214 20 10 FGCDMO CCC[N@H+](CC)C[C@@H](C)NCc1cc(Br)cc(OC)c1O ZINC000810179996 725295069 /nfs/dbraw/zinc/29/50/69/725295069.db2.gz KXEHAEDMLPUUCW-GFCCVEGCSA-N 1 1 359.308 3.373 20 10 FGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cc(Br)cc(OC)c1O ZINC000810179996 725295071 /nfs/dbraw/zinc/29/50/71/725295071.db2.gz KXEHAEDMLPUUCW-GFCCVEGCSA-N 1 1 359.308 3.373 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2c3c(nn2C)CCCC3)c1 ZINC000812773855 726809305 /nfs/dbraw/zinc/80/93/05/726809305.db2.gz WFLMAWBODFXIPZ-UHFFFAOYSA-N 1 1 364.287 3.365 20 10 FGCDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)CC[C@H]21 ZINC000814176956 726945068 /nfs/dbraw/zinc/94/50/68/726945068.db2.gz WEXLVDJXEQSAAU-XJKSGUPXSA-N 1 1 350.434 3.363 20 10 FGCDMO CCOc1cccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)c1O ZINC000814301642 726954611 /nfs/dbraw/zinc/95/46/11/726954611.db2.gz ABPBXOJOEWVDAY-JTQLQIEISA-N 1 1 352.232 3.194 20 10 FGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000815142792 727044192 /nfs/dbraw/zinc/04/41/92/727044192.db2.gz ZCVQENJMSNTCNK-UHFFFAOYSA-N 1 1 350.821 3.311 20 10 FGCDMO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cccc(C(F)(F)F)c1O ZINC000815625991 727087194 /nfs/dbraw/zinc/08/71/94/727087194.db2.gz RTVCKUMWDPJSNH-NSHDSACASA-N 1 1 365.417 3.419 20 10 FGCDMO Cc1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(C)o1 ZINC000815835238 727101091 /nfs/dbraw/zinc/10/10/91/727101091.db2.gz NWEUIIZGARDARI-OAHLLOKOSA-N 1 1 363.845 3.045 20 10 FGCDMO Cc1nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c(C)o1 ZINC000815835238 727101094 /nfs/dbraw/zinc/10/10/94/727101094.db2.gz NWEUIIZGARDARI-OAHLLOKOSA-N 1 1 363.845 3.045 20 10 FGCDMO COc1cc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)ccc1OCCO ZINC000816539241 727173069 /nfs/dbraw/zinc/17/30/69/727173069.db2.gz XUELHPZVNYHCKD-NSHDSACASA-N 1 1 369.820 3.415 20 10 FGCDMO Cc1[nH+]c(N2CCOCC2)ccc1NCc1cc(Cl)c(F)cc1O ZINC000816563854 727175967 /nfs/dbraw/zinc/17/59/67/727175967.db2.gz LODIUTCJEKAUKH-UHFFFAOYSA-N 1 1 351.809 3.337 20 10 FGCDMO COC[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)OCCc2ccccc21 ZINC000816614384 727180873 /nfs/dbraw/zinc/18/08/73/727180873.db2.gz VBCJYLRJCBOWHT-IBGZPJMESA-N 1 1 365.832 3.389 20 10 FGCDMO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Br)nc1 ZINC000817942080 727288974 /nfs/dbraw/zinc/28/89/74/727288974.db2.gz MDRRKEPELLCUSW-LRDDRELGSA-N 1 1 363.303 3.261 20 10 FGCDMO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000818344438 727308576 /nfs/dbraw/zinc/30/85/76/727308576.db2.gz CUBWLVUKQVTZPE-JTQLQIEISA-N 1 1 353.264 3.234 20 10 FGCDMO CC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000824813256 729359876 /nfs/dbraw/zinc/35/98/76/729359876.db2.gz CLXKKRFUOAXPMP-AWEZNQCLSA-N 1 1 371.543 3.343 20 10 FGCDMO CC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000824813256 729359878 /nfs/dbraw/zinc/35/98/78/729359878.db2.gz CLXKKRFUOAXPMP-AWEZNQCLSA-N 1 1 371.543 3.343 20 10 FGCDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000825556637 729387625 /nfs/dbraw/zinc/38/76/25/729387625.db2.gz TWAKJZMDQQGDPZ-ZDUSSCGKSA-N 1 1 350.503 3.433 20 10 FGCDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000825556635 729387686 /nfs/dbraw/zinc/38/76/86/729387686.db2.gz TWAKJZMDQQGDPZ-CYBMUJFWSA-N 1 1 350.503 3.433 20 10 FGCDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1)C(N)=O ZINC000826036664 729403095 /nfs/dbraw/zinc/40/30/95/729403095.db2.gz OAKYKIYLKHSLIR-GFCCVEGCSA-N 1 1 369.303 3.268 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](CCOCCO)C2CCC2)c(C(F)(F)F)c1 ZINC000827203938 729426893 /nfs/dbraw/zinc/42/68/93/729426893.db2.gz ILZRRUWWICVOIO-UHFFFAOYSA-N 1 1 360.420 3.135 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CCCC[C@@H]2CO)c(C)n1-c1ccc(Cl)cn1 ZINC000827411429 729429863 /nfs/dbraw/zinc/42/98/63/729429863.db2.gz UKXYBPWVRPUTKJ-MRXNPFEDSA-N 1 1 361.873 3.172 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CCCC[C@@H]2CO)c(C)n1-c1ccc(Cl)cn1 ZINC000827411429 729429864 /nfs/dbraw/zinc/42/98/64/729429864.db2.gz UKXYBPWVRPUTKJ-MRXNPFEDSA-N 1 1 361.873 3.172 20 10 FGCDMO CC1(c2nnc(C3CCOCC3)o2)C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000828036964 729439011 /nfs/dbraw/zinc/43/90/11/729439011.db2.gz ZKVCYQHUFHCDFJ-UHFFFAOYSA-N 1 1 363.845 3.096 20 10 FGCDMO C[N@H+](CCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000836687643 729965453 /nfs/dbraw/zinc/96/54/53/729965453.db2.gz WAVOHBDTJUWYMD-UHFFFAOYSA-N 1 1 360.285 3.373 20 10 FGCDMO C[N@@H+](CCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CC1 ZINC000836687643 729965454 /nfs/dbraw/zinc/96/54/54/729965454.db2.gz WAVOHBDTJUWYMD-UHFFFAOYSA-N 1 1 360.285 3.373 20 10 FGCDMO O=C(CC[N@H+]1CCc2ccccc2C1)NCCCSc1nccs1 ZINC000841392976 730238373 /nfs/dbraw/zinc/23/83/73/730238373.db2.gz GHSXLERNWVUGNJ-UHFFFAOYSA-N 1 1 361.536 3.190 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(Cl)cc1O ZINC000841758644 730271326 /nfs/dbraw/zinc/27/13/26/730271326.db2.gz UOBNDHGISUXYNV-DZGCQCFKSA-N 1 1 351.878 3.376 20 10 FGCDMO CCOCCCN1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)[C@H](C)C1 ZINC000846145882 730932017 /nfs/dbraw/zinc/93/20/17/730932017.db2.gz PLRBRXBNBISLHM-NUJGCVRESA-N 1 1 350.503 3.188 20 10 FGCDMO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)[C@@H](C)C1 ZINC000846145872 730932036 /nfs/dbraw/zinc/93/20/36/730932036.db2.gz PLRBRXBNBISLHM-BQFCYCMXSA-N 1 1 350.503 3.188 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)c1O ZINC000848553288 731180488 /nfs/dbraw/zinc/18/04/88/731180488.db2.gz JLVWKBYTTGGVIS-VIFPVBQESA-N 1 1 369.263 3.256 20 10 FGCDMO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ncnc32)c1O ZINC000850499771 731364844 /nfs/dbraw/zinc/36/48/44/731364844.db2.gz WZMTXAOKEHENHS-KWBADKCTSA-N 1 1 351.248 3.411 20 10 FGCDMO C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc(Cl)cc1O ZINC000850557207 731372874 /nfs/dbraw/zinc/37/28/74/731372874.db2.gz MUGKSUOTBNNJCJ-MORSLUCNSA-N 1 1 350.890 3.340 20 10 FGCDMO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000852587482 731605682 /nfs/dbraw/zinc/60/56/82/731605682.db2.gz YVRSFDAQZUOOME-HNNXBMFYSA-N 1 1 351.878 3.252 20 10 FGCDMO O=c1nc(Cl)cc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000858405696 732211370 /nfs/dbraw/zinc/21/13/70/732211370.db2.gz NLBLLWORQLXGFN-GFCCVEGCSA-N 1 1 369.252 3.271 20 10 FGCDMO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)n1 ZINC000858590527 732229330 /nfs/dbraw/zinc/22/93/30/732229330.db2.gz ZHDVNPHYQRFOBA-PELMWDNLSA-N 1 1 357.332 3.283 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000860093528 732448093 /nfs/dbraw/zinc/44/80/93/732448093.db2.gz CZQHVPUSNVDQRW-LLVKDONJSA-N 1 1 354.422 3.079 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000860093528 732448096 /nfs/dbraw/zinc/44/80/96/732448096.db2.gz CZQHVPUSNVDQRW-LLVKDONJSA-N 1 1 354.422 3.079 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000872258819 735610823 /nfs/dbraw/zinc/61/08/23/735610823.db2.gz BPRDKEHAXMHGFJ-OAHLLOKOSA-N 1 1 350.415 3.233 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000872258819 735610825 /nfs/dbraw/zinc/61/08/25/735610825.db2.gz BPRDKEHAXMHGFJ-OAHLLOKOSA-N 1 1 350.415 3.233 20 10 FGCDMO CN(C)c1ccc(C[NH2+]Cc2cc(Br)cc(F)c2O)cn1 ZINC000882887752 737500952 /nfs/dbraw/zinc/50/09/52/737500952.db2.gz DRQRVRXLZAQZHM-UHFFFAOYSA-N 1 1 354.223 3.045 20 10 FGCDMO CCn1nc(C)c(C[NH2+]Cc2cc(Br)cc(F)c2O)c1C ZINC000882967478 737506924 /nfs/dbraw/zinc/50/69/24/737506924.db2.gz IHBOVTNVUDKDLS-UHFFFAOYSA-N 1 1 356.239 3.417 20 10 FGCDMO COC(=O)c1sccc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000892613133 740023252 /nfs/dbraw/zinc/02/32/52/740023252.db2.gz QDRHBVVTNCKEBH-UHFFFAOYSA-N 1 1 362.520 3.378 20 10 FGCDMO CC[C@](O)(CCC(F)(F)F)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000903255549 743830832 /nfs/dbraw/zinc/83/08/32/743830832.db2.gz BYISZYIMXBDHLD-BZNIZROVSA-N 1 1 363.376 3.313 20 10 FGCDMO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000926954927 759858632 /nfs/dbraw/zinc/85/86/32/759858632.db2.gz IEUVEJGXRQZOLT-SECBINFHSA-N 1 1 354.299 3.420 20 10 FGCDMO Oc1ccccc1C[N@@H+](Cc1nnc(-c2ccco2)o1)C[C@H]1CCCO1 ZINC000078680595 494343098 /nfs/dbraw/zinc/34/30/98/494343098.db2.gz DNBAQHRCZZNSSE-OAHLLOKOSA-N 1 1 355.394 3.216 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1nnc(-c2ccco2)o1)C[C@H]1CCCO1 ZINC000078680595 494343102 /nfs/dbraw/zinc/34/31/02/494343102.db2.gz DNBAQHRCZZNSSE-OAHLLOKOSA-N 1 1 355.394 3.216 20 10 FGCDMO COc1cccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1O ZINC000092453173 494630243 /nfs/dbraw/zinc/63/02/43/494630243.db2.gz SREQFJNGAQNVOV-UHFFFAOYSA-N 1 1 374.868 3.402 20 10 FGCDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092010339 494753474 /nfs/dbraw/zinc/75/34/74/494753474.db2.gz FQJJUQJBEJYRHX-PZJWPPBQSA-N 1 1 368.525 3.356 20 10 FGCDMO O=C(c1ccsc1)N1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000092149165 494800913 /nfs/dbraw/zinc/80/09/13/494800913.db2.gz UVDQDVDVPSNWIM-UHFFFAOYSA-N 1 1 350.871 3.455 20 10 FGCDMO O=C(c1ccsc1)N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000092149165 494800918 /nfs/dbraw/zinc/80/09/18/494800918.db2.gz UVDQDVDVPSNWIM-UHFFFAOYSA-N 1 1 350.871 3.455 20 10 FGCDMO COc1cc(OC)cc([C@H]([NH2+]Cc2cc(C)ccc2O)c2nccn2C)c1 ZINC000113319158 495296607 /nfs/dbraw/zinc/29/66/07/495296607.db2.gz FONNIPTVFSGYST-FQEVSTJZSA-N 1 1 367.449 3.331 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OC ZINC000158839149 495598967 /nfs/dbraw/zinc/59/89/67/495598967.db2.gz QAQGIHLCQYGUJM-HNNXBMFYSA-N 1 1 370.449 3.260 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000155025075 495807981 /nfs/dbraw/zinc/80/79/81/495807981.db2.gz LDSVSWWZZPGXGD-VQTJNVASSA-N 1 1 358.574 3.354 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000180012292 495822651 /nfs/dbraw/zinc/82/26/51/495822651.db2.gz PMOTWYMKECUBCD-UHFFFAOYSA-N 1 1 356.422 3.108 20 10 FGCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1O ZINC000177257823 495996718 /nfs/dbraw/zinc/99/67/18/495996718.db2.gz UJRIIMIFTWIJMH-UHFFFAOYSA-N 1 1 366.433 3.223 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCCCC3)nc2)c1 ZINC000273413998 496799643 /nfs/dbraw/zinc/79/96/43/496799643.db2.gz QKQVNBHLHGIHPE-HNNXBMFYSA-N 1 1 369.465 3.415 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278475761 497127597 /nfs/dbraw/zinc/12/75/97/497127597.db2.gz IJTCMMHZNYZFGP-RDJZCZTQSA-N 1 1 358.394 3.319 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](C)[C@H](OC)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278508381 497138992 /nfs/dbraw/zinc/13/89/92/497138992.db2.gz PGHCQJQDXMBBGI-GTNSWQLSSA-N 1 1 364.373 3.314 20 10 FGCDMO CC(=O)N1CC[NH+](Cc2cccc(NCc3ccc(N(C)C)cc3)c2)CC1 ZINC000189512742 497145233 /nfs/dbraw/zinc/14/52/33/497145233.db2.gz MYIHXJICRASLEI-UHFFFAOYSA-N 1 1 366.509 3.029 20 10 FGCDMO CCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1F ZINC000278627514 497172732 /nfs/dbraw/zinc/17/27/32/497172732.db2.gz GNNDCKMDLGLNMM-UHFFFAOYSA-N 1 1 350.346 3.137 20 10 FGCDMO O=S1(=O)CC[C@H]([N@H+](Cc2cc(-c3ccccc3)ccc2O)C2CC2)C1 ZINC000271061291 497255721 /nfs/dbraw/zinc/25/57/21/497255721.db2.gz GNPIFCNKKFMULM-IBGZPJMESA-N 1 1 357.475 3.211 20 10 FGCDMO O=S1(=O)CC[C@H]([N@@H+](Cc2cc(-c3ccccc3)ccc2O)C2CC2)C1 ZINC000271061291 497255724 /nfs/dbraw/zinc/25/57/24/497255724.db2.gz GNPIFCNKKFMULM-IBGZPJMESA-N 1 1 357.475 3.211 20 10 FGCDMO COc1cccc(C[NH2+][C@H](C)c2nc(-c3ccccc3OC)no2)c1O ZINC000266161699 497270424 /nfs/dbraw/zinc/27/04/24/497270424.db2.gz NRUBCTZJAKYXPG-GFCCVEGCSA-N 1 1 355.394 3.310 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cc(Cl)c(Cl)cc1O ZINC000193107979 497303955 /nfs/dbraw/zinc/30/39/55/497303955.db2.gz LDIFGNJBZUEQRM-GHMZBOCLSA-N 1 1 362.253 3.272 20 10 FGCDMO C[C@H](NC(=O)NCc1ccccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272301852 497591522 /nfs/dbraw/zinc/59/15/22/497591522.db2.gz IWPXJAUSEUEFGH-QFBILLFUSA-N 1 1 353.466 3.102 20 10 FGCDMO C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272633045 497685085 /nfs/dbraw/zinc/68/50/85/497685085.db2.gz KQLCTRAXMRCPND-MXFAVLBMSA-N 1 1 366.461 3.138 20 10 FGCDMO Cc1nn(C)c2ncc(C[NH2+]Cc3cccc(Br)c3O)cc12 ZINC000263647632 497804903 /nfs/dbraw/zinc/80/49/03/497804903.db2.gz CJKVJEQKMGYOIL-UHFFFAOYSA-N 1 1 361.243 3.035 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C)OC4(CCOCC4)C3)cc2)CC1 ZINC000295941911 497863440 /nfs/dbraw/zinc/86/34/40/497863440.db2.gz HZCVOVYFHPIRIM-GOSISDBHSA-N 1 1 374.525 3.072 20 10 FGCDMO O=[N+]([O-])c1cccnc1N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000301165853 497980305 /nfs/dbraw/zinc/98/03/05/497980305.db2.gz DPHUPLLOAKGWBF-CQSZACIVSA-N 1 1 362.817 3.425 20 10 FGCDMO CC[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1ccc(F)cc1O ZINC000285510066 498112145 /nfs/dbraw/zinc/11/21/45/498112145.db2.gz APFQYLMFPZRYRM-HNNXBMFYSA-N 1 1 352.356 3.280 20 10 FGCDMO CC(C)n1nc2c(cc1=O)C[N@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000360075431 498244272 /nfs/dbraw/zinc/24/42/72/498244272.db2.gz MIERKHVDYSQKEI-UHFFFAOYSA-N 1 1 366.509 3.373 20 10 FGCDMO C[C@H]1C[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C[N@H+]1Cc1ccccc1 ZINC000361121840 498347976 /nfs/dbraw/zinc/34/79/76/498347976.db2.gz IKEPKILJCADSHE-MXFAVLBMSA-N 1 1 366.461 3.138 20 10 FGCDMO COc1ccc(C[C@@](C)(O)C[NH2+][C@H](C)c2ccc(F)cc2O)cc1OC ZINC000290276373 498491023 /nfs/dbraw/zinc/49/10/23/498491023.db2.gz WSHZXPKSJVKYNF-ZUOKHONESA-N 1 1 363.429 3.193 20 10 FGCDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccc(N3CCC(C)CC3)cc1)C2 ZINC000290670425 498640747 /nfs/dbraw/zinc/64/07/47/498640747.db2.gz DDPAPRHWINGHQT-LJQANCHMSA-N 1 1 366.509 3.307 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@H+]3CCC[C@H](C)C3)ccc21 ZINC000303203361 498654019 /nfs/dbraw/zinc/65/40/19/498654019.db2.gz OWVAUBYVMVOWIP-INIZCTEOSA-N 1 1 371.525 3.366 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)ccc21 ZINC000303203364 498654645 /nfs/dbraw/zinc/65/46/45/498654645.db2.gz OWVAUBYVMVOWIP-MRXNPFEDSA-N 1 1 371.525 3.366 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+](CCNC(C)=O)Cc2ccsc2)c1O ZINC000282826278 498669959 /nfs/dbraw/zinc/66/99/59/498669959.db2.gz BKDGWMHPWQMRPX-UHFFFAOYSA-N 1 1 368.886 3.254 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+](CCNC(C)=O)Cc2ccsc2)c1O ZINC000282826278 498669968 /nfs/dbraw/zinc/66/99/68/498669968.db2.gz BKDGWMHPWQMRPX-UHFFFAOYSA-N 1 1 368.886 3.254 20 10 FGCDMO COC1CCN(c2ccc(CN3CC[C@@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000295027728 498884934 /nfs/dbraw/zinc/88/49/34/498884934.db2.gz MRERRWGJEISJNK-FQEVSTJZSA-N 1 1 357.542 3.220 20 10 FGCDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000295066948 498898093 /nfs/dbraw/zinc/89/80/93/498898093.db2.gz AMTHGVHGBFAPSN-SNVBAGLBSA-N 1 1 372.849 3.025 20 10 FGCDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000295066948 498898097 /nfs/dbraw/zinc/89/80/97/498898097.db2.gz AMTHGVHGBFAPSN-SNVBAGLBSA-N 1 1 372.849 3.025 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1OC ZINC000295137136 498922690 /nfs/dbraw/zinc/92/26/90/498922690.db2.gz YXLDCPXYBBMZDT-HNNXBMFYSA-N 1 1 351.830 3.228 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598006 499151404 /nfs/dbraw/zinc/15/14/04/499151404.db2.gz FCUVBDYVKKRPEZ-JSGCOSHPSA-N 1 1 358.442 3.023 20 10 FGCDMO COCCC[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370343220 499211537 /nfs/dbraw/zinc/21/15/37/499211537.db2.gz NKWACRZPPGLBEJ-YOEHRIQHSA-N 1 1 368.905 3.189 20 10 FGCDMO CC[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(Br)ccc1[O-] ZINC000372344512 499423219 /nfs/dbraw/zinc/42/32/19/499423219.db2.gz GCRSTHOVNYTPCE-JSGCOSHPSA-N 1 1 350.260 3.476 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1F ZINC000375408677 499515261 /nfs/dbraw/zinc/51/52/61/499515261.db2.gz JZHGTFITBWKZEU-DSKINZAPSA-N 1 1 364.505 3.424 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)[N@@H+](C)C[C@H]3C)ccc21 ZINC000509665398 502961883 /nfs/dbraw/zinc/96/18/83/502961883.db2.gz KUWMSRSDTJFLMV-HUUCEWRRSA-N 1 1 357.498 3.069 20 10 FGCDMO COc1cccc([C@H]2C[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)CC2(C)C)c1 ZINC000530101548 503837399 /nfs/dbraw/zinc/83/73/99/503837399.db2.gz IQGHGJXXWOAIPH-UYAOXDASSA-N 1 1 369.461 3.452 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](CCO)Cc2ccccc2)c1O ZINC000158294936 705180684 /nfs/dbraw/zinc/18/06/84/705180684.db2.gz QVYNTINAORPVMQ-UHFFFAOYSA-N 1 1 366.255 3.158 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](CO)C2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000174702170 705514798 /nfs/dbraw/zinc/51/47/98/705514798.db2.gz PHGCFHWWKVRIBD-CQSZACIVSA-N 1 1 364.848 3.384 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@@H](CO)C2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000174702170 705514802 /nfs/dbraw/zinc/51/48/02/705514802.db2.gz PHGCFHWWKVRIBD-CQSZACIVSA-N 1 1 364.848 3.384 20 10 FGCDMO C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1n1ccnc1 ZINC000246893610 713632292 /nfs/dbraw/zinc/63/22/92/713632292.db2.gz UDGPHXLTGYGNNT-SWLSCSKDSA-N 1 1 350.260 3.434 20 10 FGCDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCCS1 ZINC000783587125 724768655 /nfs/dbraw/zinc/76/86/55/724768655.db2.gz BFXSFIHTHFNTDR-RDJZCZTQSA-N 1 1 368.930 3.412 20 10 FGCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCCS1 ZINC000783587125 724768658 /nfs/dbraw/zinc/76/86/58/724768658.db2.gz BFXSFIHTHFNTDR-RDJZCZTQSA-N 1 1 368.930 3.412 20 10 FGCDMO O=C(/C=C/c1ccc[nH]1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000783676455 724778088 /nfs/dbraw/zinc/77/80/88/724778088.db2.gz JTAOPYSVKVJWTH-DBWMJRBXSA-N 1 1 359.857 3.168 20 10 FGCDMO CN(CCCNC(=S)Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccccc1 ZINC000726477544 722435227 /nfs/dbraw/zinc/43/52/27/722435227.db2.gz QWWQGNOYBNENPG-UHFFFAOYSA-N 1 1 354.523 3.445 20 10 FGCDMO CN(CCCNC(=S)Nc1ccc2c(c1)C[N@H+](C)C2)c1ccccc1 ZINC000726477544 722435228 /nfs/dbraw/zinc/43/52/28/722435228.db2.gz QWWQGNOYBNENPG-UHFFFAOYSA-N 1 1 354.523 3.445 20 10 FGCDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000735487730 722516781 /nfs/dbraw/zinc/51/67/81/722516781.db2.gz XIGIXPXHGGXQLO-OAHLLOKOSA-N 1 1 362.817 3.425 20 10 FGCDMO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756380437 722963667 /nfs/dbraw/zinc/96/36/67/722963667.db2.gz UXRAATPVUOJSKS-LLVKDONJSA-N 1 1 350.365 3.106 20 10 FGCDMO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756383514 722963762 /nfs/dbraw/zinc/96/37/62/722963762.db2.gz JCWRCQSRDIODCE-MGPLVRAMSA-N 1 1 353.365 3.072 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(Br)c(F)cc1O ZINC000756736154 722969271 /nfs/dbraw/zinc/96/92/71/722969271.db2.gz LCTPFBMZJRVACS-NXEZZACHSA-N 1 1 373.266 3.344 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2cc(F)c(F)c(F)c2)c1 ZINC000757637282 722977743 /nfs/dbraw/zinc/97/77/43/722977743.db2.gz HEYCKQUOQYORSU-JTQLQIEISA-N 1 1 353.340 3.489 20 10 FGCDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000757664621 722978091 /nfs/dbraw/zinc/97/80/91/722978091.db2.gz ZOTRPCRNNHWGHG-HNNXBMFYSA-N 1 1 362.524 3.111 20 10 FGCDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000757664621 722978092 /nfs/dbraw/zinc/97/80/92/722978092.db2.gz ZOTRPCRNNHWGHG-HNNXBMFYSA-N 1 1 362.524 3.111 20 10 FGCDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)cc(Br)c2O)[C@]12CCCO2 ZINC000759178622 723000994 /nfs/dbraw/zinc/00/09/94/723000994.db2.gz ZYSZNBGZZMHIDJ-BFYDXBDKSA-N 1 1 370.287 3.279 20 10 FGCDMO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3c(O)ccc(Cl)c3F)C2=O)cc1 ZINC000791010050 723204929 /nfs/dbraw/zinc/20/49/29/723204929.db2.gz CFPSMHTYYKJJRP-MRXNPFEDSA-N 1 1 362.832 3.384 20 10 FGCDMO O=C1[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCN1Cc1ccc(F)cc1 ZINC000791007635 723204989 /nfs/dbraw/zinc/20/49/89/723204989.db2.gz OUEMDHPVOFEYKJ-HNNXBMFYSA-N 1 1 366.795 3.215 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000792827508 723372454 /nfs/dbraw/zinc/37/24/54/723372454.db2.gz DUJKRNJPVHYNJO-CYBMUJFWSA-N 1 1 356.310 3.271 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000792827508 723372456 /nfs/dbraw/zinc/37/24/56/723372456.db2.gz DUJKRNJPVHYNJO-CYBMUJFWSA-N 1 1 356.310 3.271 20 10 FGCDMO COC(=O)CC1([NH2+]Cc2cc(C)cc(Br)c2O)CCCC1 ZINC000793232235 723414215 /nfs/dbraw/zinc/41/42/15/723414215.db2.gz VBBARKZSUYEVDV-UHFFFAOYSA-N 1 1 356.260 3.429 20 10 FGCDMO C[C@H](NCC[N@H+]1CCC[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766274086 723565713 /nfs/dbraw/zinc/56/57/13/723565713.db2.gz SUMGHDTXSSNMHK-HOTGVXAUSA-N 1 1 351.922 3.312 20 10 FGCDMO C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766274086 723565714 /nfs/dbraw/zinc/56/57/14/723565714.db2.gz SUMGHDTXSSNMHK-HOTGVXAUSA-N 1 1 351.922 3.312 20 10 FGCDMO CC(C)CNC(=O)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000768228781 723651156 /nfs/dbraw/zinc/65/11/56/723651156.db2.gz JRRNQIHAONUALE-UHFFFAOYSA-N 1 1 369.303 3.139 20 10 FGCDMO C[C@@H]1SCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1ccccc1 ZINC000768445209 723657904 /nfs/dbraw/zinc/65/79/04/723657904.db2.gz GKWFBARQYRDRLQ-YHJVDBJQSA-N 1 1 357.475 3.497 20 10 FGCDMO CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1 ZINC000769148620 723678046 /nfs/dbraw/zinc/67/80/46/723678046.db2.gz PKUFVUBHEZXEKT-AWEZNQCLSA-N 1 1 350.459 3.232 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(O)c1 ZINC000769148620 723678047 /nfs/dbraw/zinc/67/80/47/723678047.db2.gz PKUFVUBHEZXEKT-AWEZNQCLSA-N 1 1 350.459 3.232 20 10 FGCDMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000769339253 723682871 /nfs/dbraw/zinc/68/28/71/723682871.db2.gz VGYKMCBCIGQYEN-OAHLLOKOSA-N 1 1 367.287 3.132 20 10 FGCDMO CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000773406407 723784170 /nfs/dbraw/zinc/78/41/70/723784170.db2.gz CQAZDJAGJKWBQU-IXDOHACOSA-N 1 1 350.890 3.418 20 10 FGCDMO COc1c(O)c(C[NH2+]CCc2ccc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000775012339 723951617 /nfs/dbraw/zinc/95/16/17/723951617.db2.gz GGPWATGVBHMJIG-UHFFFAOYSA-N 1 1 354.765 3.434 20 10 FGCDMO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCCC2 ZINC000775030841 723954186 /nfs/dbraw/zinc/95/41/86/723954186.db2.gz VPIGNNTWJMBWHC-CABCVRRESA-N 1 1 350.415 3.136 20 10 FGCDMO COC(=O)c1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000775150901 723964825 /nfs/dbraw/zinc/96/48/25/723964825.db2.gz CGLADAVGYYZZRR-UHFFFAOYSA-N 1 1 350.212 3.231 20 10 FGCDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000787424101 725027947 /nfs/dbraw/zinc/02/79/47/725027947.db2.gz HQFFKDIAZXIFNK-HNNXBMFYSA-N 1 1 367.287 3.130 20 10 FGCDMO CSC1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000787445536 725028571 /nfs/dbraw/zinc/02/85/71/725028571.db2.gz MYURHOILSMECPH-OAHLLOKOSA-N 1 1 368.930 3.412 20 10 FGCDMO CSC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000787445536 725028572 /nfs/dbraw/zinc/02/85/72/725028572.db2.gz MYURHOILSMECPH-OAHLLOKOSA-N 1 1 368.930 3.412 20 10 FGCDMO CCn1cccc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)c1=O ZINC000788604353 725075079 /nfs/dbraw/zinc/07/50/79/725075079.db2.gz JXTYJUGWUKJGCD-JTQLQIEISA-N 1 1 369.234 3.326 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)CC)c1O ZINC000809723012 725262564 /nfs/dbraw/zinc/26/25/64/725262564.db2.gz OWOJYACQSHWVFH-MRXNPFEDSA-N 1 1 350.459 3.234 20 10 FGCDMO CCN(CCC[NH+]1CCCC1)Cc1cc(Br)cc(OC)c1O ZINC000809749831 725264783 /nfs/dbraw/zinc/26/47/83/725264783.db2.gz KWFHWKACHJZFQG-UHFFFAOYSA-N 1 1 371.319 3.471 20 10 FGCDMO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@H](O)C(F)(F)F ZINC000809750710 725264862 /nfs/dbraw/zinc/26/48/62/725264862.db2.gz FJPLSHKOGRJQPT-KRWDZBQOSA-N 1 1 355.356 3.326 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)c1 ZINC000810253178 725300057 /nfs/dbraw/zinc/30/00/57/725300057.db2.gz NNSYHNBWXCWZOC-BUXKBTBVSA-N 1 1 361.463 3.379 20 10 FGCDMO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000811519776 725372407 /nfs/dbraw/zinc/37/24/07/725372407.db2.gz DQLZLZRPWHMIMN-ZDUSSCGKSA-N 1 1 356.651 3.452 20 10 FGCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000811519776 725372408 /nfs/dbraw/zinc/37/24/08/725372408.db2.gz DQLZLZRPWHMIMN-ZDUSSCGKSA-N 1 1 356.651 3.452 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1 ZINC000815153117 727046217 /nfs/dbraw/zinc/04/62/17/727046217.db2.gz BVLGVENVCDKJHK-OAHLLOKOSA-N 1 1 363.255 3.169 20 10 FGCDMO O=S(=O)(CCC[NH2+]Cc1cc(Cl)c(F)cc1O)Cc1ccccc1 ZINC000816535362 727173141 /nfs/dbraw/zinc/17/31/41/727173141.db2.gz MVLXWBBYGKPZCP-UHFFFAOYSA-N 1 1 371.861 3.279 20 10 FGCDMO C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1(F)F ZINC000817549000 727264004 /nfs/dbraw/zinc/26/40/04/727264004.db2.gz GPMCEQSCNSFNQU-CJNGLKHVSA-N 1 1 358.816 3.172 20 10 FGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000819532426 727381356 /nfs/dbraw/zinc/38/13/56/727381356.db2.gz WJCQMXYQTXSOMT-HOTGVXAUSA-N 1 1 361.486 3.414 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)CCN2CCCC2=O)cc1 ZINC000823447454 729281237 /nfs/dbraw/zinc/28/12/37/729281237.db2.gz IPUWIXOHUYJMCW-UHFFFAOYSA-N 1 1 357.523 3.439 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000824767740 729358430 /nfs/dbraw/zinc/35/84/30/729358430.db2.gz APFBYOUGSUXKFE-CMPLNLGQSA-N 1 1 354.166 3.042 20 10 FGCDMO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000824767740 729358431 /nfs/dbraw/zinc/35/84/31/729358431.db2.gz APFBYOUGSUXKFE-CMPLNLGQSA-N 1 1 354.166 3.042 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000824767744 729358478 /nfs/dbraw/zinc/35/84/78/729358478.db2.gz APFBYOUGSUXKFE-PWSUYJOCSA-N 1 1 354.166 3.042 20 10 FGCDMO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000824767744 729358480 /nfs/dbraw/zinc/35/84/80/729358480.db2.gz APFBYOUGSUXKFE-PWSUYJOCSA-N 1 1 354.166 3.042 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000824845543 729361798 /nfs/dbraw/zinc/36/17/98/729361798.db2.gz LZBSFRKOLJTLPD-ZBFHGGJFSA-N 1 1 354.288 3.350 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000825124793 729371754 /nfs/dbraw/zinc/37/17/54/729371754.db2.gz YIHBNDXSISZVTK-NOZJJQNGSA-N 1 1 368.193 3.208 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000825124793 729371755 /nfs/dbraw/zinc/37/17/55/729371755.db2.gz YIHBNDXSISZVTK-NOZJJQNGSA-N 1 1 368.193 3.208 20 10 FGCDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000825129942 729372062 /nfs/dbraw/zinc/37/20/62/729372062.db2.gz IOBNMMSSNPPMDL-JXFKEZNVSA-N 1 1 360.523 3.356 20 10 FGCDMO Oc1cc(Br)ccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000825451708 729383825 /nfs/dbraw/zinc/38/38/25/729383825.db2.gz YOCLOAGXLMARTQ-UHFFFAOYSA-N 1 1 354.166 3.044 20 10 FGCDMO OC[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)CC[C@H]1C(F)(F)F ZINC000825887629 729398441 /nfs/dbraw/zinc/39/84/41/729398441.db2.gz VSAFRKXYYQJENN-ZYHUDNBSSA-N 1 1 368.193 3.147 20 10 FGCDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1O ZINC000825892751 729398672 /nfs/dbraw/zinc/39/86/72/729398672.db2.gz IRSWHBOVRZNVBO-AWEZNQCLSA-N 1 1 355.276 3.035 20 10 FGCDMO [O-]c1cc(Br)ccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000827843666 729435841 /nfs/dbraw/zinc/43/58/41/729435841.db2.gz GGVVATCGILKYAR-UHFFFAOYSA-N 1 1 353.304 3.366 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H](C)[C@@H]2CO)c(C)n1-c1ccc(Cl)cn1 ZINC000829121723 729459160 /nfs/dbraw/zinc/45/91/60/729459160.db2.gz VXLFICIMTRDKGH-SJCJKPOMSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](C)[C@@H]2CO)c(C)n1-c1ccc(Cl)cn1 ZINC000829121723 729459162 /nfs/dbraw/zinc/45/91/62/729459162.db2.gz VXLFICIMTRDKGH-SJCJKPOMSA-N 1 1 361.873 3.028 20 10 FGCDMO CN(C)c1ccc(CNC(=O)C[NH2+]C2(c3ccccc3Cl)CC2)cc1 ZINC000829478656 729483908 /nfs/dbraw/zinc/48/39/08/729483908.db2.gz CWORRTPYKOGYPB-UHFFFAOYSA-N 1 1 357.885 3.301 20 10 FGCDMO Cc1cc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)ccc1N1CCCCC1 ZINC000831782736 729667594 /nfs/dbraw/zinc/66/75/94/729667594.db2.gz WTPSNDWDMVFIMA-IBGZPJMESA-N 1 1 364.555 3.384 20 10 FGCDMO Cc1cc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)ccc1N1CCCCC1 ZINC000831782736 729667595 /nfs/dbraw/zinc/66/75/95/729667595.db2.gz WTPSNDWDMVFIMA-IBGZPJMESA-N 1 1 364.555 3.384 20 10 FGCDMO CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1O ZINC000834882981 729842279 /nfs/dbraw/zinc/84/22/79/729842279.db2.gz WSAFMAOUVIYCNI-QGZVFWFLSA-N 1 1 366.458 3.023 20 10 FGCDMO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1cc(Br)c(F)cc1O ZINC000834912316 729845934 /nfs/dbraw/zinc/84/59/34/729845934.db2.gz CKPFVCLHKGCQFY-IMSIIYSGSA-N 1 1 371.250 3.098 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000840936871 730193889 /nfs/dbraw/zinc/19/38/89/730193889.db2.gz NISZIRFSQZQVOW-QGZVFWFLSA-N 1 1 360.885 3.210 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000840936871 730193891 /nfs/dbraw/zinc/19/38/91/730193891.db2.gz NISZIRFSQZQVOW-QGZVFWFLSA-N 1 1 360.885 3.210 20 10 FGCDMO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841752776 730270683 /nfs/dbraw/zinc/27/06/83/730270683.db2.gz IADVUARRXBSLDX-ZDUSSCGKSA-N 1 1 374.934 3.146 20 10 FGCDMO C[N@H+](Cc1cccc(Br)c1O)C[C@]1(O)CCc2ccccc21 ZINC000843420337 730618830 /nfs/dbraw/zinc/61/88/30/730618830.db2.gz CNHBLCKELJHBHO-GOSISDBHSA-N 1 1 362.267 3.421 20 10 FGCDMO C[N@@H+](Cc1cccc(Br)c1O)C[C@]1(O)CCc2ccccc21 ZINC000843420337 730618833 /nfs/dbraw/zinc/61/88/33/730618833.db2.gz CNHBLCKELJHBHO-GOSISDBHSA-N 1 1 362.267 3.421 20 10 FGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1(C(F)F)CC1 ZINC000843832945 730658913 /nfs/dbraw/zinc/65/89/13/730658913.db2.gz YXIRZPKWSPOJEI-CYBMUJFWSA-N 1 1 358.816 3.172 20 10 FGCDMO COc1ccc(N(C)CC[N@H+](C)Cn2ccc(-c3nccs3)n2)cc1 ZINC000844725562 730758702 /nfs/dbraw/zinc/75/87/02/730758702.db2.gz MRTZEQGQCGKWNO-UHFFFAOYSA-N 1 1 357.483 3.041 20 10 FGCDMO COc1ccc(N(C)CC[N@@H+](C)Cn2ccc(-c3nccs3)n2)cc1 ZINC000844725562 730758705 /nfs/dbraw/zinc/75/87/05/730758705.db2.gz MRTZEQGQCGKWNO-UHFFFAOYSA-N 1 1 357.483 3.041 20 10 FGCDMO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000844902220 730787188 /nfs/dbraw/zinc/78/71/88/730787188.db2.gz LYXUGKXPORDMOG-DJSGYFEHSA-N 1 1 359.297 3.417 20 10 FGCDMO COc1cc(Br)cc([C@H](C)[NH2+]Cc2nn(C)cc2Cl)c1O ZINC000848553991 731180864 /nfs/dbraw/zinc/18/08/64/731180864.db2.gz PTZLLBBBCFIPBL-QMMMGPOBSA-N 1 1 374.666 3.401 20 10 FGCDMO [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350145 731251394 /nfs/dbraw/zinc/25/13/94/731251394.db2.gz LEQAKNMGHDZGQQ-AWEZNQCLSA-N 1 1 353.304 3.366 20 10 FGCDMO [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350145 731251400 /nfs/dbraw/zinc/25/14/00/731251400.db2.gz LEQAKNMGHDZGQQ-AWEZNQCLSA-N 1 1 353.304 3.366 20 10 FGCDMO [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849350838 731251472 /nfs/dbraw/zinc/25/14/72/731251472.db2.gz YNHOGRQKONFKHB-AWEZNQCLSA-N 1 1 353.304 3.366 20 10 FGCDMO [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357649 731348200 /nfs/dbraw/zinc/34/82/00/731348200.db2.gz QMPUSOMFTPLECA-HNNXBMFYSA-N 1 1 364.848 3.041 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000850378416 731350272 /nfs/dbraw/zinc/35/02/72/731350272.db2.gz CJUNYLGGEBIPQH-OCCSQVGLSA-N 1 1 362.214 3.367 20 10 FGCDMO CCc1nc([C@@H](C)N(CC)Cc2cc(Br)ccc2O)n[nH]1 ZINC000851792596 731498715 /nfs/dbraw/zinc/49/87/15/731498715.db2.gz MSBXDQLXRMUSDL-SNVBAGLBSA-N 1 1 353.264 3.418 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CCC3(COC3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000852683887 731619518 /nfs/dbraw/zinc/61/95/18/731619518.db2.gz UTAKZVKTKPRSKI-UHFFFAOYSA-N 1 1 359.857 3.048 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CCC3(COC3)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000852683887 731619523 /nfs/dbraw/zinc/61/95/23/731619523.db2.gz UTAKZVKTKPRSKI-UHFFFAOYSA-N 1 1 359.857 3.048 20 10 FGCDMO COC1CC[NH+](C(C)(C)CNCc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858132042 732183535 /nfs/dbraw/zinc/18/35/35/732183535.db2.gz QMNKYVGCHVCYSD-UHFFFAOYSA-N 1 1 355.473 3.010 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)C3CC(F)(F)C3)cc2F)CC1 ZINC000862277583 732803253 /nfs/dbraw/zinc/80/32/53/732803253.db2.gz GKXQKUUOEPFAFV-AWEZNQCLSA-N 1 1 355.448 3.491 20 10 FGCDMO Oc1cccc(Br)c1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000862329592 732809311 /nfs/dbraw/zinc/80/93/11/732809311.db2.gz ZWSVYSGKFVJXQG-UHFFFAOYSA-N 1 1 358.301 3.253 20 10 FGCDMO [NH3+]C[C@@H]1CN(Cc2cccc(Br)c2O)CC[C@H]1C(F)(F)F ZINC000863647004 732990059 /nfs/dbraw/zinc/99/00/59/732990059.db2.gz ULZSZOLPIFWOMO-GHMZBOCLSA-N 1 1 367.209 3.114 20 10 FGCDMO COc1nsc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)c1Br ZINC000876988972 736171342 /nfs/dbraw/zinc/17/13/42/736171342.db2.gz NMHPSGRTGBQBIP-UHFFFAOYSA-N 1 1 374.279 3.409 20 10 FGCDMO Cc1ccc(S(=O)(=O)C2CC[NH+](Cc3ccc(C)cc3O)CC2)cc1 ZINC000877780395 736719563 /nfs/dbraw/zinc/71/95/63/736719563.db2.gz PAMPFAWVMQQERB-UHFFFAOYSA-N 1 1 359.491 3.447 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000895823639 742458174 /nfs/dbraw/zinc/45/81/74/742458174.db2.gz SWLGSIPOEAVREH-QGZVFWFLSA-N 1 1 350.415 3.138 20 10 FGCDMO COc1cc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000895837301 742460291 /nfs/dbraw/zinc/46/02/91/742460291.db2.gz KWLZGNBKOUMFNL-QGZVFWFLSA-N 1 1 361.404 3.445 20 10 FGCDMO Cc1nc([C@H]2CCN(Cc3cc(Cl)cc(Br)c3[O-])C2)no1 ZINC000896229213 742518198 /nfs/dbraw/zinc/51/81/98/742518198.db2.gz ARDSOHLKEOZDPA-VIFPVBQESA-N 1 1 372.650 3.489 20 10 FGCDMO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000896968609 742624117 /nfs/dbraw/zinc/62/41/17/742624117.db2.gz IWZHKRCNDNROAX-JTQLQIEISA-N 1 1 352.843 3.278 20 10 FGCDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc(Br)cc3O)C2)n1 ZINC000897576240 742691419 /nfs/dbraw/zinc/69/14/19/742691419.db2.gz CINIWQGELVQWAH-GFCCVEGCSA-N 1 1 366.259 3.301 20 10 FGCDMO CC[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1O ZINC000903423822 743848168 /nfs/dbraw/zinc/84/81/68/743848168.db2.gz HAEQXLRGFWMIFR-QGZVFWFLSA-N 1 1 366.458 3.168 20 10 FGCDMO C[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1ccc(Cl)cc1O ZINC000926906616 759841956 /nfs/dbraw/zinc/84/19/56/759841956.db2.gz XBILUSXGKAOPHB-LBPRGKRZSA-N 1 1 353.871 3.342 20 10 FGCDMO CC(C)[N@@H+](C)CC(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000063583306 494066036 /nfs/dbraw/zinc/06/60/36/494066036.db2.gz WHAIOASHMFZBQX-UHFFFAOYSA-N 1 1 373.419 3.010 20 10 FGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079459567 494459324 /nfs/dbraw/zinc/45/93/24/494459324.db2.gz PLMXBDDMQWTMQN-LJQANCHMSA-N 1 1 370.541 3.303 20 10 FGCDMO Cc1ccc(O)c(C[N@@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)c1 ZINC000092512083 494652175 /nfs/dbraw/zinc/65/21/75/494652175.db2.gz WIHXUBFYXLWRKK-UHFFFAOYSA-N 1 1 363.479 3.005 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)c1O ZINC000093200669 494842285 /nfs/dbraw/zinc/84/22/85/494842285.db2.gz NCUCXAKXQOENKA-AWEZNQCLSA-N 1 1 360.433 3.286 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000179657157 495680370 /nfs/dbraw/zinc/68/03/70/495680370.db2.gz QZNYBZHUEWWNTR-OAHLLOKOSA-N 1 1 356.470 3.098 20 10 FGCDMO Cc1cc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c(C)n1-c1ccccc1 ZINC000179750602 495717334 /nfs/dbraw/zinc/71/73/34/495717334.db2.gz GXNRZNITKZZJSA-UHFFFAOYSA-N 1 1 369.509 3.013 20 10 FGCDMO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc2c(cc1O)CCCC2 ZINC000273355809 496781771 /nfs/dbraw/zinc/78/17/71/496781771.db2.gz CQOLYMUDEMKHMK-IWMITWMQSA-N 1 1 358.526 3.299 20 10 FGCDMO C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268866589 496809776 /nfs/dbraw/zinc/80/97/76/496809776.db2.gz CNYMURHXDDFIBG-INIZCTEOSA-N 1 1 361.505 3.330 20 10 FGCDMO CC[C@](C)([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000269680567 496988388 /nfs/dbraw/zinc/98/83/88/496988388.db2.gz ZXJAZCQXPJZTMY-IBGZPJMESA-N 1 1 360.527 3.083 20 10 FGCDMO CC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C[C@@H](O)C(F)(F)F ZINC000274045246 497001599 /nfs/dbraw/zinc/00/15/99/497001599.db2.gz MDXCKVSWVGZSLJ-QGZVFWFLSA-N 1 1 360.420 3.047 20 10 FGCDMO CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(Br)c1O ZINC000278315769 497072382 /nfs/dbraw/zinc/07/23/82/497072382.db2.gz FOKHSEUPMLRNOB-UHFFFAOYSA-N 1 1 358.667 3.394 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)ccc1[N+](=O)[O-] ZINC000278548558 497150704 /nfs/dbraw/zinc/15/07/04/497150704.db2.gz YQNHVWYJBOQIKK-NSHDSACASA-N 1 1 362.430 3.420 20 10 FGCDMO CCN(CC)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccco1 ZINC000278849741 497242400 /nfs/dbraw/zinc/24/24/00/497242400.db2.gz KYSKGNKRGOTABB-OAHLLOKOSA-N 1 1 363.414 3.075 20 10 FGCDMO Cc1nn2c(C[N@H+](Cc3ccccc3O)C[C@@H]3CCCO3)c(C)nc2s1 ZINC000270997668 497242817 /nfs/dbraw/zinc/24/28/17/497242817.db2.gz JZYUMKSHDDPZEQ-INIZCTEOSA-N 1 1 372.494 3.294 20 10 FGCDMO COc1c(O)c(C[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278909428 497263788 /nfs/dbraw/zinc/26/37/88/497263788.db2.gz SEXSRWSSTHHXJA-UHFFFAOYSA-N 1 1 373.409 3.193 20 10 FGCDMO O=C(NCc1ccccc1O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000299528419 497835954 /nfs/dbraw/zinc/83/59/54/497835954.db2.gz RTDPFXWEIHKHKQ-UHFFFAOYSA-N 1 1 357.479 3.263 20 10 FGCDMO CCOC(=O)[C@H](C)[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CC1 ZINC000295920563 497854255 /nfs/dbraw/zinc/85/42/55/497854255.db2.gz GJNKBOCFVKIWAX-INIZCTEOSA-N 1 1 360.498 3.218 20 10 FGCDMO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CC1 ZINC000295920563 497854261 /nfs/dbraw/zinc/85/42/61/497854261.db2.gz GJNKBOCFVKIWAX-INIZCTEOSA-N 1 1 360.498 3.218 20 10 FGCDMO CC[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)cc1O ZINC000286191351 498320047 /nfs/dbraw/zinc/32/00/47/498320047.db2.gz QWEMIXBQBSBBKW-QGZVFWFLSA-N 1 1 363.408 3.143 20 10 FGCDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)nn1C ZINC000282144564 498399542 /nfs/dbraw/zinc/39/95/42/498399542.db2.gz KVCLGLGJRWIZFF-XHSDSOJGSA-N 1 1 360.477 3.332 20 10 FGCDMO Cc1nccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000576096226 506075900 /nfs/dbraw/zinc/07/59/00/506075900.db2.gz QICVAVVKTFLDOX-UHFFFAOYSA-N 1 1 363.465 3.145 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000291188453 498835061 /nfs/dbraw/zinc/83/50/61/498835061.db2.gz GILTZTGGJRYMMW-GFCCVEGCSA-N 1 1 352.347 3.221 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000291188453 498835064 /nfs/dbraw/zinc/83/50/64/498835064.db2.gz GILTZTGGJRYMMW-GFCCVEGCSA-N 1 1 352.347 3.221 20 10 FGCDMO CC[C@](C)([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000298639357 498836902 /nfs/dbraw/zinc/83/69/02/498836902.db2.gz PQAPFMRQKXXGGW-IBGZPJMESA-N 1 1 360.527 3.049 20 10 FGCDMO COC1CCN(c2ccc(CN3CC[C@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000295027733 498884662 /nfs/dbraw/zinc/88/46/62/498884662.db2.gz MRERRWGJEISJNK-HXUWFJFHSA-N 1 1 357.542 3.220 20 10 FGCDMO CN(C)c1ccc(CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000363967026 499070013 /nfs/dbraw/zinc/07/00/13/499070013.db2.gz RRTMKPYGENKRJQ-PXNSSMCTSA-N 1 1 356.514 3.053 20 10 FGCDMO CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cc1 ZINC000363967032 499070270 /nfs/dbraw/zinc/07/02/70/499070270.db2.gz RRTMKPYGENKRJQ-YLJYHZDGSA-N 1 1 356.514 3.053 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)ccc1[N+](=O)[O-] ZINC000284508672 499117881 /nfs/dbraw/zinc/11/78/81/499117881.db2.gz YETCYEYYXKQIOR-RISCZKNCSA-N 1 1 361.225 3.325 20 10 FGCDMO COc1c(O)c(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)ccc1[N+](=O)[O-] ZINC000284508672 499117882 /nfs/dbraw/zinc/11/78/82/499117882.db2.gz YETCYEYYXKQIOR-RISCZKNCSA-N 1 1 361.225 3.325 20 10 FGCDMO CN1CCCc2cc(C[NH2+][C@H]3CCS(=O)(=O)c4ccc(F)cc43)ccc21 ZINC000372584668 499149322 /nfs/dbraw/zinc/14/93/22/499149322.db2.gz OVGROKVQPJPIMU-SFHVURJKSA-N 1 1 374.481 3.216 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)c1 ZINC000372598004 499151614 /nfs/dbraw/zinc/15/16/14/499151614.db2.gz FCUVBDYVKKRPEZ-GXTWGEPZSA-N 1 1 358.442 3.023 20 10 FGCDMO Cc1[nH+]c(CNC(=O)NCc2c(O)ccc3c2CCCC3)c2n1CCCC2 ZINC000367365868 499189267 /nfs/dbraw/zinc/18/92/67/499189267.db2.gz SVVWGRFKDWLFPU-UHFFFAOYSA-N 1 1 368.481 3.112 20 10 FGCDMO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000370374043 499214358 /nfs/dbraw/zinc/21/43/58/499214358.db2.gz MAZPFJBJWBIUDA-RDJZCZTQSA-N 1 1 356.441 3.273 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1O ZINC000368834153 499337648 /nfs/dbraw/zinc/33/76/48/499337648.db2.gz LLCBBMXRBPMTRF-INIZCTEOSA-N 1 1 362.401 3.130 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1O ZINC000368834153 499337650 /nfs/dbraw/zinc/33/76/50/499337650.db2.gz LLCBBMXRBPMTRF-INIZCTEOSA-N 1 1 362.401 3.130 20 10 FGCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3noc(C(F)F)n3)CC2)c1O ZINC000373353666 499464916 /nfs/dbraw/zinc/46/49/16/499464916.db2.gz HSNRNVITLLDSBG-UHFFFAOYSA-N 1 1 369.343 3.434 20 10 FGCDMO C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000373521422 499474714 /nfs/dbraw/zinc/47/47/14/499474714.db2.gz KPDHDGARKGVAEL-IVMQYODDSA-N 1 1 361.505 3.330 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000377911987 499747516 /nfs/dbraw/zinc/74/75/16/499747516.db2.gz JNPZPMJFUJGZSX-MRXNPFEDSA-N 1 1 355.482 3.453 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CC(F)(F)F)C1 ZINC000435534244 500989059 /nfs/dbraw/zinc/98/90/59/500989059.db2.gz MERBVZBZMXPMSE-UHFFFAOYSA-N 1 1 367.415 3.429 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000472229587 502277742 /nfs/dbraw/zinc/27/77/42/502277742.db2.gz MAWKKJYUFYETAP-KRWDZBQOSA-N 1 1 354.498 3.303 20 10 FGCDMO Cc1ccnc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000539519573 504597649 /nfs/dbraw/zinc/59/76/49/504597649.db2.gz BOEAGUSMZCPKGY-UHFFFAOYSA-N 1 1 363.465 3.145 20 10 FGCDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccccc1O ZINC000109771692 700536516 /nfs/dbraw/zinc/53/65/16/700536516.db2.gz IEVKILGLAAJONY-NSHDSACASA-N 1 1 363.801 3.413 20 10 FGCDMO O=C(Nc1ccccn1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000109846979 700537411 /nfs/dbraw/zinc/53/74/11/700537411.db2.gz UXYAOKHHQUMKLE-HNNXBMFYSA-N 1 1 360.845 3.227 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1O ZINC000129917995 700793740 /nfs/dbraw/zinc/79/37/40/700793740.db2.gz ULJJKTGBWSDWQD-LLVKDONJSA-N 1 1 356.260 3.164 20 10 FGCDMO O=C1[C@@H]([NH2+]Cc2cccc(Br)c2O)CCN1C1CCCCC1 ZINC000131555818 700816730 /nfs/dbraw/zinc/81/67/30/700816730.db2.gz CCFXYJLBJNZKHI-HNNXBMFYSA-N 1 1 367.287 3.178 20 10 FGCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000179562052 705705225 /nfs/dbraw/zinc/70/52/25/705705225.db2.gz NKAAUHVQUWSCDG-HNNXBMFYSA-N 1 1 355.356 3.283 20 10 FGCDMO COc1ccc(N2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)cc1F ZINC000181982826 705820900 /nfs/dbraw/zinc/82/09/00/705820900.db2.gz ZYBOSURGSSWKHG-UHFFFAOYSA-N 1 1 352.450 3.078 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)c1O ZINC000790934656 723196089 /nfs/dbraw/zinc/19/60/89/723196089.db2.gz QPABRMDJQHGFTB-BXUZGUMPSA-N 1 1 358.276 3.289 20 10 FGCDMO CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(O)c1 ZINC000769396431 723684310 /nfs/dbraw/zinc/68/43/10/723684310.db2.gz LEXNSPFUWLPRKN-CQSZACIVSA-N 1 1 350.459 3.232 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(O)c1 ZINC000769396431 723684311 /nfs/dbraw/zinc/68/43/11/723684311.db2.gz LEXNSPFUWLPRKN-CQSZACIVSA-N 1 1 350.459 3.232 20 10 FGCDMO CC[C@H]([NH2+]Cc1cc(C)cc(Br)c1O)[C@H](O)C(F)(F)F ZINC000781636799 724581761 /nfs/dbraw/zinc/58/17/61/724581761.db2.gz SCKGLJSFEWJXFP-JQWIXIFHSA-N 1 1 356.182 3.255 20 10 FGCDMO O=C(/C=C\c1ccc[nH]1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000783676452 724778048 /nfs/dbraw/zinc/77/80/48/724778048.db2.gz JTAOPYSVKVJWTH-BQLWYNFJSA-N 1 1 359.857 3.168 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3CC[C@@](C)(O)C3)c2C)c1 ZINC000748832206 722706202 /nfs/dbraw/zinc/70/62/02/722706202.db2.gz FBLKUMIFZVMIDW-HXUWFJFHSA-N 1 1 358.507 3.455 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3CC[C@@](C)(O)C3)c2C)c1 ZINC000748832206 722706203 /nfs/dbraw/zinc/70/62/03/722706203.db2.gz FBLKUMIFZVMIDW-HXUWFJFHSA-N 1 1 358.507 3.455 20 10 FGCDMO COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756591366 722967344 /nfs/dbraw/zinc/96/73/44/722967344.db2.gz QZCZMAOOXMPNEG-DYZYQPBXSA-N 1 1 353.365 3.072 20 10 FGCDMO C[NH+](C)CCOc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1Cl ZINC000789976541 723090117 /nfs/dbraw/zinc/09/01/17/723090117.db2.gz LVLOSFCYNTWTOE-UHFFFAOYSA-N 1 1 368.792 3.083 20 10 FGCDMO C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766584783 723582695 /nfs/dbraw/zinc/58/26/95/723582695.db2.gz OJZBIQSAFKETNH-SIFCLUCFSA-N 1 1 363.933 3.310 20 10 FGCDMO C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000766584783 723582696 /nfs/dbraw/zinc/58/26/96/723582696.db2.gz OJZBIQSAFKETNH-SIFCLUCFSA-N 1 1 363.933 3.310 20 10 FGCDMO COc1cc(C[N@H+]2CCCN(C(=O)OCC(C)C)CC2)c(O)cc1C ZINC000768443913 723657666 /nfs/dbraw/zinc/65/76/66/723657666.db2.gz IXQJMQZEOLNREK-UHFFFAOYSA-N 1 1 350.459 3.010 20 10 FGCDMO Cc1cnccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771417230 723734920 /nfs/dbraw/zinc/73/49/20/723734920.db2.gz MWZDOOOAUQJDDS-MRXNPFEDSA-N 1 1 359.857 3.143 20 10 FGCDMO C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc(Cl)c(Cl)cc1O ZINC000774140784 723862461 /nfs/dbraw/zinc/86/24/61/723862461.db2.gz FYTPIHOEEZSQER-SECBINFHSA-N 1 1 369.314 3.068 20 10 FGCDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCC2 ZINC000774910408 723941407 /nfs/dbraw/zinc/94/14/07/723941407.db2.gz ABZDWNMKZLCJEX-CABCVRRESA-N 1 1 350.415 3.089 20 10 FGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C12CCC2 ZINC000774910408 723941408 /nfs/dbraw/zinc/94/14/08/723941408.db2.gz ABZDWNMKZLCJEX-CABCVRRESA-N 1 1 350.415 3.089 20 10 FGCDMO CCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000775152785 723964735 /nfs/dbraw/zinc/96/47/35/723964735.db2.gz GTDHHJKDCPEJET-CJNGLKHVSA-N 1 1 350.459 3.136 20 10 FGCDMO CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775503678 723996851 /nfs/dbraw/zinc/99/68/51/723996851.db2.gz MEUPFWKNRAQZCI-CRAIPNDOSA-N 1 1 351.922 3.255 20 10 FGCDMO OC[C@]1([NH2+]Cc2cccc(Br)c2O)CCCc2ccccc21 ZINC000799344966 724015419 /nfs/dbraw/zinc/01/54/19/724015419.db2.gz NBPHWUDEIRAAJG-GOSISDBHSA-N 1 1 362.267 3.468 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1O ZINC000775735303 724034342 /nfs/dbraw/zinc/03/43/42/724034342.db2.gz LEZRDYFDDHMFMH-ZDUSSCGKSA-N 1 1 364.287 3.261 20 10 FGCDMO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000775813791 724066035 /nfs/dbraw/zinc/06/60/35/724066035.db2.gz WEPFSSSFNVTAQB-YPMHNXCESA-N 1 1 368.861 3.205 20 10 FGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000805748118 725091006 /nfs/dbraw/zinc/09/10/06/725091006.db2.gz LHGUCQNOZHYODZ-UWVGGRQHSA-N 1 1 352.232 3.365 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)C2CCC(F)(F)CC2)cc1 ZINC000805840741 725100341 /nfs/dbraw/zinc/10/03/41/725100341.db2.gz WLKRLIYPLGMOTD-UHFFFAOYSA-N 1 1 353.457 3.221 20 10 FGCDMO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806956226 725149746 /nfs/dbraw/zinc/14/97/46/725149746.db2.gz KWGCPFSKAAPWDF-ZDUSSCGKSA-N 1 1 360.285 3.373 20 10 FGCDMO Cc1cc(Cl)cc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000808706504 725214431 /nfs/dbraw/zinc/21/44/31/725214431.db2.gz LNOFHOMVQLNUSU-MORSLUCNSA-N 1 1 352.906 3.382 20 10 FGCDMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(OCC)ccc1O ZINC000809726874 725263378 /nfs/dbraw/zinc/26/33/78/725263378.db2.gz WSBRUYYUQXUUBE-MRXNPFEDSA-N 1 1 350.459 3.282 20 10 FGCDMO COC(=O)c1ccc(C[NH2+]Cc2cccc(F)c2O)c(Br)c1 ZINC000809753249 725265060 /nfs/dbraw/zinc/26/50/60/725265060.db2.gz FHKUWBBJSVCSFD-UHFFFAOYSA-N 1 1 368.202 3.370 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c(C(F)(F)F)c1 ZINC000809757489 725265795 /nfs/dbraw/zinc/26/57/95/725265795.db2.gz OFCDUKJPAWYJNY-CQSZACIVSA-N 1 1 352.404 3.494 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000809767540 725266691 /nfs/dbraw/zinc/26/66/91/725266691.db2.gz NMAVSKLBASQPBT-CZUORRHYSA-N 1 1 353.304 3.379 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000809767540 725266693 /nfs/dbraw/zinc/26/66/93/725266693.db2.gz NMAVSKLBASQPBT-CZUORRHYSA-N 1 1 353.304 3.379 20 10 FGCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000809767540 725266694 /nfs/dbraw/zinc/26/66/94/725266694.db2.gz NMAVSKLBASQPBT-CZUORRHYSA-N 1 1 353.304 3.379 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)OCCc3sccc32)c1 ZINC000810253177 725300082 /nfs/dbraw/zinc/30/00/82/725300082.db2.gz NNSYHNBWXCWZOC-BLVKFPJESA-N 1 1 361.463 3.379 20 10 FGCDMO COc1cc(Cl)cc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1O ZINC000812778041 726809723 /nfs/dbraw/zinc/80/97/23/726809723.db2.gz GBTVLPGRHSQNMU-QGZVFWFLSA-N 1 1 362.857 3.233 20 10 FGCDMO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815553809 727083545 /nfs/dbraw/zinc/08/35/45/727083545.db2.gz KSUWHJYJBMVFTP-KBPBESRZSA-N 1 1 360.420 3.418 20 10 FGCDMO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cccc(C(F)(F)F)c1O ZINC000815557862 727083981 /nfs/dbraw/zinc/08/39/81/727083981.db2.gz HTIQDOATAJGDRO-NSHDSACASA-N 1 1 356.388 3.463 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000816529665 727172241 /nfs/dbraw/zinc/17/22/41/727172241.db2.gz BQHQOKIKNMEFSS-UHFFFAOYSA-N 1 1 364.848 3.307 20 10 FGCDMO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Br)nc1 ZINC000817942087 727288912 /nfs/dbraw/zinc/28/89/12/727288912.db2.gz MDRRKEPELLCUSW-WBMJQRKESA-N 1 1 363.303 3.261 20 10 FGCDMO C[C@@H](C[N@@H+](C)Cc1ccc(N(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000823371846 729272635 /nfs/dbraw/zinc/27/26/35/729272635.db2.gz NEHLKKMJPAMNEV-INIZCTEOSA-N 1 1 360.523 3.392 20 10 FGCDMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823404137 729276522 /nfs/dbraw/zinc/27/65/22/729276522.db2.gz MIIBZNSMEKTTSR-LJQANCHMSA-N 1 1 357.523 3.485 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c1O ZINC000825091003 729370266 /nfs/dbraw/zinc/37/02/66/729370266.db2.gz QRSBRHVRRHZWCO-CYBMUJFWSA-N 1 1 358.276 3.146 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000825536194 729386942 /nfs/dbraw/zinc/38/69/42/729386942.db2.gz GVACBRLASFLDPC-UHFFFAOYSA-N 1 1 358.301 3.253 20 10 FGCDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC000826122962 729405660 /nfs/dbraw/zinc/40/56/60/729405660.db2.gz AITYAPPMWHNHBW-OAHLLOKOSA-N 1 1 367.287 3.132 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000826816569 729416179 /nfs/dbraw/zinc/41/61/79/729416179.db2.gz VQPRLGZKMUZQJZ-UHFFFAOYSA-N 1 1 352.906 3.335 20 10 FGCDMO CC[C@@]1(O)CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C1 ZINC000828992710 729450807 /nfs/dbraw/zinc/45/08/07/729450807.db2.gz XGJSKKQGTWUCGN-LJQANCHMSA-N 1 1 361.873 3.172 20 10 FGCDMO CC[C@@]1(O)CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C1 ZINC000828992710 729450808 /nfs/dbraw/zinc/45/08/08/729450808.db2.gz XGJSKKQGTWUCGN-LJQANCHMSA-N 1 1 361.873 3.172 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@@H](C)[C@H]2CO)c(C)n1-c1ccc(Cl)cn1 ZINC000829121726 729459390 /nfs/dbraw/zinc/45/93/90/729459390.db2.gz VXLFICIMTRDKGH-SJKOYZFVSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@H]2CO)c(C)n1-c1ccc(Cl)cn1 ZINC000829121726 729459395 /nfs/dbraw/zinc/45/93/95/729459395.db2.gz VXLFICIMTRDKGH-SJKOYZFVSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000830018870 729530627 /nfs/dbraw/zinc/53/06/27/729530627.db2.gz ZAGOHRAPZCRXDO-LJQANCHMSA-N 1 1 364.555 3.242 20 10 FGCDMO Cc1cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000830018870 729530628 /nfs/dbraw/zinc/53/06/28/729530628.db2.gz ZAGOHRAPZCRXDO-LJQANCHMSA-N 1 1 364.555 3.242 20 10 FGCDMO COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1c(O)cc(C)cc1Cl ZINC000840953480 730196151 /nfs/dbraw/zinc/19/61/51/730196151.db2.gz SDXSZQXRSWSHSC-UHFFFAOYSA-N 1 1 351.878 3.353 20 10 FGCDMO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1c(O)cc(C)cc1Cl ZINC000840953480 730196155 /nfs/dbraw/zinc/19/61/55/730196155.db2.gz SDXSZQXRSWSHSC-UHFFFAOYSA-N 1 1 351.878 3.353 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC000840978948 730200247 /nfs/dbraw/zinc/20/02/47/730200247.db2.gz QPNQGYURARQHRO-KGLIPLIRSA-N 1 1 352.431 3.381 20 10 FGCDMO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)C1 ZINC000844902222 730786997 /nfs/dbraw/zinc/78/69/97/730786997.db2.gz LYXUGKXPORDMOG-SGIREYDYSA-N 1 1 359.297 3.417 20 10 FGCDMO CCc1nnc(C[NH2+][C@H](C)c2cc(Br)cc(OC)c2O)s1 ZINC000848551420 731180198 /nfs/dbraw/zinc/18/01/98/731180198.db2.gz MMHKLVRICTUDLI-MRVPVSSYSA-N 1 1 372.288 3.428 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc(Br)ccc1[O-] ZINC000850500782 731365422 /nfs/dbraw/zinc/36/54/22/731365422.db2.gz JYDGDPZQQOAXJJ-UONOGXRCSA-N 1 1 372.351 3.077 20 10 FGCDMO Cc1cc(C2([NH2+]Cc3c(O)cccc3Br)CCOCC2)on1 ZINC000858326553 732203268 /nfs/dbraw/zinc/20/32/68/732203268.db2.gz UUOPONIBWKRXRG-UHFFFAOYSA-N 1 1 367.243 3.247 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Br)c(F)cc1O ZINC000858602804 732230905 /nfs/dbraw/zinc/23/09/05/732230905.db2.gz JLRMQYQCWIPNNO-XPTSAGLGSA-N 1 1 371.250 3.098 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+](C)CC2(C)COC2)c(C)n1-c1ccc(Cl)cn1 ZINC000859570972 732352493 /nfs/dbraw/zinc/35/24/93/732352493.db2.gz FKOYRSFPDKGZIS-UHFFFAOYSA-N 1 1 361.873 3.294 20 10 FGCDMO Cc1cc(C(=O)C[N@H+](C)CC2(C)COC2)c(C)n1-c1ccc(Cl)cn1 ZINC000859570972 732352499 /nfs/dbraw/zinc/35/24/99/732352499.db2.gz FKOYRSFPDKGZIS-UHFFFAOYSA-N 1 1 361.873 3.294 20 10 FGCDMO Oc1cccc(Br)c1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000862371561 732818572 /nfs/dbraw/zinc/81/85/72/732818572.db2.gz HWLASNWHKWZOFL-LLVKDONJSA-N 1 1 356.651 3.452 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000883156645 737530293 /nfs/dbraw/zinc/53/02/93/737530293.db2.gz URJWMIKXEICYPI-LLVKDONJSA-N 1 1 369.870 3.309 20 10 FGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000883156646 737530379 /nfs/dbraw/zinc/53/03/79/737530379.db2.gz URJWMIKXEICYPI-NSHDSACASA-N 1 1 369.870 3.309 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)c1 ZINC000886331399 739245837 /nfs/dbraw/zinc/24/58/37/739245837.db2.gz FRRBBDRXHUEZGK-HACGYAERSA-N 1 1 370.287 3.279 20 10 FGCDMO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]Cc3cccc(Br)c3O)O2)[C@H]1C ZINC000886341039 739247383 /nfs/dbraw/zinc/24/73/83/739247383.db2.gz OOURSKQANPKIKI-MYLCLEHYSA-N 1 1 370.287 3.217 20 10 FGCDMO COCCOc1ccc(C[NH2+]Cc2cccc(Br)c2O)o1 ZINC000894044793 742230961 /nfs/dbraw/zinc/23/09/61/742230961.db2.gz FDIGJSPCQAXBLZ-UHFFFAOYSA-N 1 1 356.216 3.063 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000895837942 742460524 /nfs/dbraw/zinc/46/05/24/742460524.db2.gz YQLSDAKKUCNHGE-ZDUSSCGKSA-N 1 1 368.193 3.210 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000895837942 742460527 /nfs/dbraw/zinc/46/05/27/742460527.db2.gz YQLSDAKKUCNHGE-ZDUSSCGKSA-N 1 1 368.193 3.210 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000896983986 742626600 /nfs/dbraw/zinc/62/66/00/742626600.db2.gz GIXHBVSIZQENJN-CQSZACIVSA-N 1 1 350.459 3.138 20 10 FGCDMO C[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cccc(C(F)(F)F)c1O ZINC000903346200 743839459 /nfs/dbraw/zinc/83/94/59/743839459.db2.gz DONSSJKQDPOOKY-LBPRGKRZSA-N 1 1 359.388 3.383 20 10 FGCDMO Cc1cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000917462177 758224613 /nfs/dbraw/zinc/22/46/13/758224613.db2.gz BCGIMMCLKZCWAU-OAHLLOKOSA-N 1 1 353.528 3.255 20 10 FGCDMO CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000926911072 759845890 /nfs/dbraw/zinc/84/58/90/759845890.db2.gz MHZJFGJTIVWBFR-ZDUSSCGKSA-N 1 1 351.443 3.218 20 10 FGCDMO FC1(F)C[C@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)C1(F)F ZINC000931909582 761000221 /nfs/dbraw/zinc/00/02/21/761000221.db2.gz SBXVWEJLLWKPTG-INIZCTEOSA-N 1 1 358.379 3.390 20 10 FGCDMO COc1ccc(N2CCC[N@H+](Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000052465099 494028103 /nfs/dbraw/zinc/02/81/03/494028103.db2.gz IVBULABEYDTRHC-UHFFFAOYSA-N 1 1 354.410 3.051 20 10 FGCDMO COc1ccc(N2CCC[N@@H+](Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000052465099 494028105 /nfs/dbraw/zinc/02/81/05/494028105.db2.gz IVBULABEYDTRHC-UHFFFAOYSA-N 1 1 354.410 3.051 20 10 FGCDMO C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000077817303 494185651 /nfs/dbraw/zinc/18/56/51/494185651.db2.gz BLYWEJTXCZPCGL-KGHZBTQCSA-N 1 1 365.437 3.108 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](n3cccn3)C2)c1O ZINC000092967174 494796900 /nfs/dbraw/zinc/79/69/00/494796900.db2.gz ZPXFZYBOCVXSNZ-AWEZNQCLSA-N 1 1 366.259 3.197 20 10 FGCDMO c1cnnc(N2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000093149971 494836090 /nfs/dbraw/zinc/83/60/90/494836090.db2.gz XRKQYOUEKQTQSJ-UHFFFAOYSA-N 1 1 351.498 3.179 20 10 FGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1O ZINC000184675848 496488799 /nfs/dbraw/zinc/48/87/99/496488799.db2.gz WTGGNIQEYXSOPL-CYBMUJFWSA-N 1 1 372.856 3.477 20 10 FGCDMO CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])[C@H](C)C1 ZINC000187722453 496546556 /nfs/dbraw/zinc/54/65/56/496546556.db2.gz ZPXICJMOWZXGQR-KEYYUXOJSA-N 1 1 356.457 3.458 20 10 FGCDMO Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000179070199 496665402 /nfs/dbraw/zinc/66/54/02/496665402.db2.gz MNAIPCZMPAFCSN-UHFFFAOYSA-N 1 1 355.486 3.023 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cc1O ZINC000185118174 496667983 /nfs/dbraw/zinc/66/79/83/496667983.db2.gz YOLPDHPTBYJLIM-ZDUSSCGKSA-N 1 1 362.420 3.482 20 10 FGCDMO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c(O)c1C ZINC000273424970 496803240 /nfs/dbraw/zinc/80/32/40/496803240.db2.gz TUWSVTMTSNLQTE-KRWDZBQOSA-N 1 1 354.498 3.007 20 10 FGCDMO COc1cc(C[NH2+]Cc2cccc(Br)c2O)cc(OC)c1O ZINC000237107536 497192538 /nfs/dbraw/zinc/19/25/38/497192538.db2.gz LRYUEDFWOVKZSG-UHFFFAOYSA-N 1 1 368.227 3.167 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cc1ccc(N)cc1 ZINC000237513049 497249279 /nfs/dbraw/zinc/24/92/79/497249279.db2.gz GZENOCGFZSBKJR-UTKZUKDTSA-N 1 1 351.494 3.180 20 10 FGCDMO C[N@H+](Cc1cnc([C@@H]2CCCO2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000271028214 497249732 /nfs/dbraw/zinc/24/97/32/497249732.db2.gz FXJNKJXCURCRJZ-IBGZPJMESA-N 1 1 373.522 3.463 20 10 FGCDMO C[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000271028214 497249735 /nfs/dbraw/zinc/24/97/35/497249735.db2.gz FXJNKJXCURCRJZ-IBGZPJMESA-N 1 1 373.522 3.463 20 10 FGCDMO c1ccc(CN2CC[C@H](C[NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000192932092 497251087 /nfs/dbraw/zinc/25/10/87/497251087.db2.gz JXKKMXXNVQEHRL-JOCHJYFZSA-N 1 1 365.521 3.135 20 10 FGCDMO CN(C)c1ccc(C[NH2+][C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000193434739 497379372 /nfs/dbraw/zinc/37/93/72/497379372.db2.gz KXWWJHGBFNVEGU-SFHVURJKSA-N 1 1 365.399 3.262 20 10 FGCDMO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2cccc(F)c21 ZINC000364346697 497910885 /nfs/dbraw/zinc/91/08/85/497910885.db2.gz BVAFGKDXCDLXIU-IBGZPJMESA-N 1 1 374.481 3.434 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)ccc21 ZINC000292299278 497960224 /nfs/dbraw/zinc/96/02/24/497960224.db2.gz RXHYPLBZKBMMMB-QFIPXVFZSA-N 1 1 369.509 3.072 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(OC)c(Cl)c2)c1 ZINC000296425339 498039194 /nfs/dbraw/zinc/03/91/94/498039194.db2.gz LPPZJENWEUANLZ-SNVBAGLBSA-N 1 1 350.802 3.087 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)C[C@@H](O)c3ccccc3F)CC2)cc1 ZINC000360521050 498281326 /nfs/dbraw/zinc/28/13/26/498281326.db2.gz SCXAVWRZUXLBRN-OAQYLSRUSA-N 1 1 358.457 3.469 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000293951991 498542167 /nfs/dbraw/zinc/54/21/67/498542167.db2.gz PDUKXIIPLHXTCU-LBPRGKRZSA-N 1 1 366.820 3.285 20 10 FGCDMO Cc1[nH]ncc1C[NH2+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000363381785 498791983 /nfs/dbraw/zinc/79/19/83/498791983.db2.gz KMSJWGPVPMQHNX-CYBMUJFWSA-N 1 1 354.376 3.233 20 10 FGCDMO CCN(CC)c1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000287721603 498846689 /nfs/dbraw/zinc/84/66/89/498846689.db2.gz SNWLOECKFOGMRY-YOFSQIOKSA-N 1 1 358.530 3.299 20 10 FGCDMO CN(C(=O)NCc1ccc(N2CCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287764745 498858789 /nfs/dbraw/zinc/85/87/89/498858789.db2.gz XTPWHTFYMJEFEE-YOFSQIOKSA-N 1 1 356.514 3.053 20 10 FGCDMO Cc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1O ZINC000366305162 498866259 /nfs/dbraw/zinc/86/62/59/498866259.db2.gz PVLSRQZQIRHDAC-ROUUACIJSA-N 1 1 366.461 3.000 20 10 FGCDMO CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2CCS(C)(=O)=O)c1[O-] ZINC000366374046 498899167 /nfs/dbraw/zinc/89/91/67/498899167.db2.gz GZQUGCUNTYIQRW-OAHLLOKOSA-N 1 1 373.902 3.037 20 10 FGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)[S@]1=O ZINC000295163485 498930155 /nfs/dbraw/zinc/93/01/55/498930155.db2.gz HHWSSXYDWVEYGU-CQSIOLINSA-N 1 1 364.555 3.033 20 10 FGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)[S@]1=O ZINC000295163485 498930161 /nfs/dbraw/zinc/93/01/61/498930161.db2.gz HHWSSXYDWVEYGU-CQSIOLINSA-N 1 1 364.555 3.033 20 10 FGCDMO CCN(CC)CC(=O)Nc1cccc(NCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000288379594 499009607 /nfs/dbraw/zinc/00/96/07/499009607.db2.gz FVOMFRIBCUXRQW-UHFFFAOYSA-N 1 1 372.425 3.193 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3cn4ccccc4n3)CC2)cc1 ZINC000369815624 499133023 /nfs/dbraw/zinc/13/30/23/499133023.db2.gz CQILRVVNFNAZPV-UHFFFAOYSA-N 1 1 350.466 3.444 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2CCN(c3cccnn3)CC2)c1O ZINC000370425327 499219653 /nfs/dbraw/zinc/21/96/53/499219653.db2.gz QHPLSBJRXBZTRN-UHFFFAOYSA-N 1 1 374.872 3.139 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CCN(c3cccnn3)CC2)c1O ZINC000370425327 499219655 /nfs/dbraw/zinc/21/96/55/499219655.db2.gz QHPLSBJRXBZTRN-UHFFFAOYSA-N 1 1 374.872 3.139 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CCCN(Cc3nccn3CC)CC2)c(O)c1 ZINC000371414708 499323065 /nfs/dbraw/zinc/32/30/65/499323065.db2.gz LAOCPXCUKDPMNW-UHFFFAOYSA-N 1 1 372.513 3.105 20 10 FGCDMO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)c3cc(Cl)cn3C)CC2)c1 ZINC000371417882 499324102 /nfs/dbraw/zinc/32/41/02/499324102.db2.gz YWJFTJQWKIMRES-UHFFFAOYSA-N 1 1 361.873 3.041 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000369104977 499365857 /nfs/dbraw/zinc/36/58/57/499365857.db2.gz OEPDQBLQVCZVFG-FPOVZHCZSA-N 1 1 370.541 3.349 20 10 FGCDMO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2nnc(C)n2C)c2ccccc2)c1 ZINC000371876641 499374396 /nfs/dbraw/zinc/37/43/96/499374396.db2.gz OAEUITTYCXQZPT-ORAYPTAESA-N 1 1 352.438 3.278 20 10 FGCDMO Cn1cc([C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)c2cccc(F)c2)cn1 ZINC000372423322 499432978 /nfs/dbraw/zinc/43/29/78/499432978.db2.gz XALJLUJRZWTDDO-NRFANRHFSA-N 1 1 350.441 3.431 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](C)C2CCN(CCc3ccncc3)CC2)cc1 ZINC000373248567 499459837 /nfs/dbraw/zinc/45/98/37/499459837.db2.gz YIZUXSWQFLJTAO-UHFFFAOYSA-N 1 1 352.526 3.287 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)Nc3ncccc3C)C2)c1 ZINC000378332295 499502352 /nfs/dbraw/zinc/50/23/52/499502352.db2.gz HUKUBRDDUUIBMP-INIZCTEOSA-N 1 1 369.465 3.345 20 10 FGCDMO CC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1[O-] ZINC000375800911 499557058 /nfs/dbraw/zinc/55/70/58/499557058.db2.gz FTQRCWBEYZUVIF-QNDJGXFYSA-N 1 1 350.478 3.461 20 10 FGCDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1[O-] ZINC000375800911 499557059 /nfs/dbraw/zinc/55/70/59/499557059.db2.gz FTQRCWBEYZUVIF-QNDJGXFYSA-N 1 1 350.478 3.461 20 10 FGCDMO CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000376168357 499588290 /nfs/dbraw/zinc/58/82/90/499588290.db2.gz ULSLAOSPZRUMMI-OAHLLOKOSA-N 1 1 371.485 3.253 20 10 FGCDMO COc1cc(O)c(CN[C@H]2c3ccccc3CC[C@@H]2[NH+](C)C)cc1OC ZINC000376484364 499611741 /nfs/dbraw/zinc/61/17/41/499611741.db2.gz MFBGOQPPUXZOND-UWJYYQICSA-N 1 1 356.466 3.117 20 10 FGCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000377246552 499673623 /nfs/dbraw/zinc/67/36/23/499673623.db2.gz UYBQYJJPJDBMSP-REWPJTCUSA-N 1 1 370.585 3.135 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000377246552 499673625 /nfs/dbraw/zinc/67/36/25/499673625.db2.gz UYBQYJJPJDBMSP-REWPJTCUSA-N 1 1 370.585 3.135 20 10 FGCDMO CN1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000377760653 499730091 /nfs/dbraw/zinc/73/00/91/499730091.db2.gz JXYORVYAJSTJOG-GMAHTHKFSA-N 1 1 365.521 3.306 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2C[C@H]2C2CC2)C1 ZINC000431165833 500344697 /nfs/dbraw/zinc/34/46/97/500344697.db2.gz HJGLDRBWGLFWRJ-PKOBYXMFSA-N 1 1 351.494 3.323 20 10 FGCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000475951276 502341920 /nfs/dbraw/zinc/34/19/20/502341920.db2.gz DSVZHOXEPCOWKP-LJQANCHMSA-N 1 1 373.884 3.434 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(C(F)F)CC2)C1 ZINC000500300158 503599140 /nfs/dbraw/zinc/59/91/40/503599140.db2.gz USFFARYOCZJJPX-UHFFFAOYSA-N 1 1 361.436 3.322 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CC[C@@H](F)C2)C1 ZINC000557953271 505270866 /nfs/dbraw/zinc/27/08/66/505270866.db2.gz YUCFWEFMYMCRCW-HZPDHXFCSA-N 1 1 357.473 3.415 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000564266069 505366851 /nfs/dbraw/zinc/36/68/51/505366851.db2.gz VZTWEHUMGYLCPV-UHFFFAOYSA-N 1 1 352.438 3.001 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2cn[nH]c2)C1 ZINC000564283532 505371219 /nfs/dbraw/zinc/37/12/19/505371219.db2.gz RALUSPXICRDPPX-OAHLLOKOSA-N 1 1 365.481 3.008 20 10 FGCDMO CCOc1cccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1O ZINC000825649285 608533201 /nfs/dbraw/zinc/53/32/01/608533201.db2.gz NUSHZAFZGNPDJS-UHFFFAOYSA-N 1 1 367.453 3.382 20 10 FGCDMO COc1cc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c(O)cc1C ZINC000826179685 608546462 /nfs/dbraw/zinc/54/64/62/608546462.db2.gz ZKIZAILZBDMGJU-UHFFFAOYSA-N 1 1 367.453 3.300 20 10 FGCDMO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(N2CCCCC2)cc1 ZINC000016386736 695629561 /nfs/dbraw/zinc/62/95/61/695629561.db2.gz PUVYVXUVSHQQFR-UHFFFAOYSA-N 1 1 357.523 3.487 20 10 FGCDMO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(N2CCCCC2)cc1 ZINC000016386736 695629562 /nfs/dbraw/zinc/62/95/62/695629562.db2.gz PUVYVXUVSHQQFR-UHFFFAOYSA-N 1 1 357.523 3.487 20 10 FGCDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092455219 700436148 /nfs/dbraw/zinc/43/61/48/700436148.db2.gz ODYXDEOVBPBIHU-ZDUSSCGKSA-N 1 1 371.275 3.254 20 10 FGCDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000092455219 700436150 /nfs/dbraw/zinc/43/61/50/700436150.db2.gz ODYXDEOVBPBIHU-ZDUSSCGKSA-N 1 1 371.275 3.254 20 10 FGCDMO COCCN(C)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153733286 705010194 /nfs/dbraw/zinc/01/01/94/705010194.db2.gz PHOPYCZWIQFQKO-KRWDZBQOSA-N 1 1 351.510 3.435 20 10 FGCDMO C[C@](O)(C[NH2+]Cc1cccc(Br)c1O)c1ccc(F)cc1 ZINC000157789778 705164032 /nfs/dbraw/zinc/16/40/32/705164032.db2.gz RDIXGCACWLPVMK-INIZCTEOSA-N 1 1 354.219 3.291 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@H+](CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000179599137 705706483 /nfs/dbraw/zinc/70/64/83/705706483.db2.gz HBNIRZKIIWHXDZ-IBGZPJMESA-N 1 1 352.544 3.322 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@@H+](CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000179599137 705706484 /nfs/dbraw/zinc/70/64/84/705706484.db2.gz HBNIRZKIIWHXDZ-IBGZPJMESA-N 1 1 352.544 3.322 20 10 FGCDMO COCCO[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000802652081 724397432 /nfs/dbraw/zinc/39/74/32/724397432.db2.gz KQHUUTWOYLVCNP-HNNXBMFYSA-N 1 1 358.276 3.091 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+](CCO)Cc2ccccc2)c1 ZINC000781901759 724609793 /nfs/dbraw/zinc/60/97/93/724609793.db2.gz UXNUHGRICNNJBA-UHFFFAOYSA-N 1 1 350.256 3.458 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+](CCO)Cc2ccccc2)c1 ZINC000781901759 724609794 /nfs/dbraw/zinc/60/97/94/724609794.db2.gz UXNUHGRICNNJBA-UHFFFAOYSA-N 1 1 350.256 3.458 20 10 FGCDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2O)[C@H]1c1cccs1 ZINC000745790203 722590462 /nfs/dbraw/zinc/59/04/62/722590462.db2.gz VWPMBXZVARCIKD-YJBOKZPZSA-N 1 1 359.495 3.336 20 10 FGCDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2O)[C@H]1c1cccs1 ZINC000745790202 722590503 /nfs/dbraw/zinc/59/05/03/722590503.db2.gz VWPMBXZVARCIKD-QAPCUYQASA-N 1 1 359.495 3.336 20 10 FGCDMO CCOC(=O)CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)CC1CC1 ZINC000750043477 722752796 /nfs/dbraw/zinc/75/27/96/722752796.db2.gz DGLNKLVNKFYHIU-UHFFFAOYSA-N 1 1 353.846 3.413 20 10 FGCDMO CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)CC1CC1 ZINC000750043477 722752798 /nfs/dbraw/zinc/75/27/98/722752798.db2.gz DGLNKLVNKFYHIU-UHFFFAOYSA-N 1 1 353.846 3.413 20 10 FGCDMO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1cc(F)cc(F)c1O ZINC000756355683 722963353 /nfs/dbraw/zinc/96/33/53/722963353.db2.gz VJEKXIVFWXUBTI-MLGOLLRUSA-N 1 1 368.449 3.456 20 10 FGCDMO C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1cc(F)cc(F)c1O ZINC000756441059 722964664 /nfs/dbraw/zinc/96/46/64/722964664.db2.gz HECUSVBKQXZIJX-CYBMUJFWSA-N 1 1 369.433 3.326 20 10 FGCDMO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756513804 722965934 /nfs/dbraw/zinc/96/59/34/722965934.db2.gz RACGQDYLBXMWMP-MRVPVSSYSA-N 1 1 356.239 3.495 20 10 FGCDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCSc2nccs2)C1 ZINC000759569105 723009334 /nfs/dbraw/zinc/00/93/34/723009334.db2.gz IMOLUBIBVDKULE-AWEZNQCLSA-N 1 1 370.588 3.435 20 10 FGCDMO C[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(Cl)cc1 ZINC000760370506 723052333 /nfs/dbraw/zinc/05/23/33/723052333.db2.gz SYRKWRIRMUNPCL-WMZOPIPTSA-N 1 1 359.857 3.290 20 10 FGCDMO C[N@H+]1CC[C@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(Cl)cc1 ZINC000760370506 723052335 /nfs/dbraw/zinc/05/23/35/723052335.db2.gz SYRKWRIRMUNPCL-WMZOPIPTSA-N 1 1 359.857 3.290 20 10 FGCDMO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(Cl)cc1 ZINC000760370501 723052363 /nfs/dbraw/zinc/05/23/63/723052363.db2.gz SYRKWRIRMUNPCL-AEFFLSMTSA-N 1 1 359.857 3.290 20 10 FGCDMO C[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(Cl)cc1 ZINC000760370501 723052365 /nfs/dbraw/zinc/05/23/65/723052365.db2.gz SYRKWRIRMUNPCL-AEFFLSMTSA-N 1 1 359.857 3.290 20 10 FGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)c1O ZINC000790751285 723173395 /nfs/dbraw/zinc/17/33/95/723173395.db2.gz VUWSVLCWWADIRL-ZJUUUORDSA-N 1 1 366.263 3.196 20 10 FGCDMO CC(C)[NH+]1CCC(N2CCN(Cc3c(O)ccc(Cl)c3F)CC2)CC1 ZINC000792171100 723318121 /nfs/dbraw/zinc/31/81/21/723318121.db2.gz YHIREXIEKCCAKX-UHFFFAOYSA-N 1 1 369.912 3.175 20 10 FGCDMO CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000793700526 723462003 /nfs/dbraw/zinc/46/20/03/723462003.db2.gz SJPJUQDUCAPLIY-CYBMUJFWSA-N 1 1 359.447 3.158 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1 ZINC000796147485 723623692 /nfs/dbraw/zinc/62/36/92/723623692.db2.gz WTDZMWAXAAZMEO-OAHLLOKOSA-N 1 1 357.420 3.033 20 10 FGCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@](C)(O)C(F)(F)F)CC2)c1O ZINC000767902832 723638978 /nfs/dbraw/zinc/63/89/78/723638978.db2.gz KYSKLJKSDPJNQB-MRXNPFEDSA-N 1 1 363.351 3.259 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1c(F)cncc1F ZINC000796526737 723641736 /nfs/dbraw/zinc/64/17/36/723641736.db2.gz LKFVFYCQALKNRK-LBPRGKRZSA-N 1 1 351.372 3.186 20 10 FGCDMO CCC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000768182309 723649728 /nfs/dbraw/zinc/64/97/28/723649728.db2.gz YTLQIDQEBVKJLM-LJQANCHMSA-N 1 1 359.491 3.458 20 10 FGCDMO CCCC[N@@H+](Cc1cc2c(cc1O)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000768443055 723657679 /nfs/dbraw/zinc/65/76/79/723657679.db2.gz YDIPCVFPQPNEFT-SFHVURJKSA-N 1 1 351.512 3.060 20 10 FGCDMO O=C(CC[C@H]1CCCO1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768911107 723671954 /nfs/dbraw/zinc/67/19/54/723671954.db2.gz CAFIDTZJKMFKMY-DLBZAZTESA-N 1 1 366.889 3.085 20 10 FGCDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000768940138 723672729 /nfs/dbraw/zinc/67/27/29/723672729.db2.gz HLUOSBFZFHBFLB-LBPRGKRZSA-N 1 1 350.260 3.268 20 10 FGCDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCC[N@H+]1CC ZINC000769289308 723681518 /nfs/dbraw/zinc/68/15/18/723681518.db2.gz DHMDXAFAAMWTMI-OAHLLOKOSA-N 1 1 369.303 3.378 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000769482732 723686879 /nfs/dbraw/zinc/68/68/79/723686879.db2.gz GZIMFKYQJNHACQ-RBUKOAKNSA-N 1 1 370.534 3.460 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000769482732 723686880 /nfs/dbraw/zinc/68/68/80/723686880.db2.gz GZIMFKYQJNHACQ-RBUKOAKNSA-N 1 1 370.534 3.460 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1O ZINC000770285206 723710311 /nfs/dbraw/zinc/71/03/11/723710311.db2.gz DSUOVGVUKUVWDA-BXUZGUMPSA-N 1 1 356.260 3.164 20 10 FGCDMO Cc1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000771060132 723726918 /nfs/dbraw/zinc/72/69/18/723726918.db2.gz VSYWCQVOEMUAGX-AWEZNQCLSA-N 1 1 365.886 3.205 20 10 FGCDMO Cc1ncc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)s1 ZINC000771060132 723726920 /nfs/dbraw/zinc/72/69/20/723726920.db2.gz VSYWCQVOEMUAGX-AWEZNQCLSA-N 1 1 365.886 3.205 20 10 FGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1(F)CCCC1 ZINC000773408696 723784161 /nfs/dbraw/zinc/78/41/61/723784161.db2.gz URACGSHSYKDGEG-OAHLLOKOSA-N 1 1 354.853 3.409 20 10 FGCDMO CCCCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1(C)C ZINC000775032270 723954486 /nfs/dbraw/zinc/95/44/86/723954486.db2.gz HASSDSCAXDASRB-CABCVRRESA-N 1 1 352.431 3.382 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3sc(C)c(C)c3c(N)n2)c1 ZINC000775375559 723986433 /nfs/dbraw/zinc/98/64/33/723986433.db2.gz NCHNXISWCQKARL-SNVBAGLBSA-N 1 1 358.467 3.455 20 10 FGCDMO CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Cl)ccc1[O-] ZINC000775503680 723996723 /nfs/dbraw/zinc/99/67/23/723996723.db2.gz MEUPFWKNRAQZCI-QAPCUYQASA-N 1 1 351.922 3.255 20 10 FGCDMO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000775633755 724013463 /nfs/dbraw/zinc/01/34/63/724013463.db2.gz LVIKIMLHPKERKC-SFHVURJKSA-N 1 1 362.470 3.208 20 10 FGCDMO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000800533362 724209785 /nfs/dbraw/zinc/20/97/85/724209785.db2.gz BRFLMYGBZVKWFS-IBGZPJMESA-N 1 1 350.528 3.076 20 10 FGCDMO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000800533362 724209787 /nfs/dbraw/zinc/20/97/87/724209787.db2.gz BRFLMYGBZVKWFS-IBGZPJMESA-N 1 1 350.528 3.076 20 10 FGCDMO COC(=O)[C@H]1[C@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C1(F)F ZINC000787769357 725038076 /nfs/dbraw/zinc/03/80/76/725038076.db2.gz DUTUVNNFWPBBGH-DLBZAZTESA-N 1 1 352.425 3.163 20 10 FGCDMO CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Cl)c1[O-] ZINC000806139201 725117778 /nfs/dbraw/zinc/11/77/78/725117778.db2.gz LLOYOWHGYAXUNO-KRWDZBQOSA-N 1 1 367.921 3.029 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000815594507 727085557 /nfs/dbraw/zinc/08/55/57/727085557.db2.gz QLXIYYQJPWINIG-TUAOUCFPSA-N 1 1 365.417 3.417 20 10 FGCDMO COC(=O)COc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816551130 727174634 /nfs/dbraw/zinc/17/46/34/727174634.db2.gz QECDHYWXAHHJKL-UHFFFAOYSA-N 1 1 353.777 3.026 20 10 FGCDMO OC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)Cc1ccc(F)c(F)c1 ZINC000816590444 727178310 /nfs/dbraw/zinc/17/83/10/727178310.db2.gz AEQBJTFGYVQSDT-LLVKDONJSA-N 1 1 359.775 3.404 20 10 FGCDMO COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)s1 ZINC000817941376 727289033 /nfs/dbraw/zinc/28/90/33/727289033.db2.gz JPDQBNGDFHYXLP-DYVFJYSZSA-N 1 1 362.543 3.057 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000823423411 729279360 /nfs/dbraw/zinc/27/93/60/729279360.db2.gz IAWJKTPFMJVBLD-SFHVURJKSA-N 1 1 355.507 3.191 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000823476685 729283766 /nfs/dbraw/zinc/28/37/66/729283766.db2.gz AOGJSYDMHSUSLV-KRWDZBQOSA-N 1 1 357.523 3.472 20 10 FGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C[C@@H]1n1ccnc1 ZINC000824928047 729365438 /nfs/dbraw/zinc/36/54/38/729365438.db2.gz TUZNZTWQMLHUMK-DOMZBBRYSA-N 1 1 350.260 3.434 20 10 FGCDMO Cc1cc(Br)c([O-])c(CN2CC[S@](=O)C(C)(C)CC2)c1 ZINC000825024445 729368038 /nfs/dbraw/zinc/36/80/38/729368038.db2.gz PHWPZAZNOJVTBS-FQEVSTJZSA-N 1 1 360.317 3.196 20 10 FGCDMO Oc1cc(Br)ccc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000825412406 729382285 /nfs/dbraw/zinc/38/22/85/729382285.db2.gz JLAGEYBLDDRNNQ-QGZVFWFLSA-N 1 1 366.230 3.387 20 10 FGCDMO CN(C)c1ccc(/C=C/C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000835026400 729850665 /nfs/dbraw/zinc/85/06/65/729850665.db2.gz SXYRLDCZQKEMAQ-JNVNVXKGSA-N 1 1 350.528 3.053 20 10 FGCDMO CN(C)c1ccc(/C=C/C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000835026400 729850668 /nfs/dbraw/zinc/85/06/68/729850668.db2.gz SXYRLDCZQKEMAQ-JNVNVXKGSA-N 1 1 350.528 3.053 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(Cl)c1 ZINC000840904813 730189522 /nfs/dbraw/zinc/18/95/22/730189522.db2.gz OMBZEYWYTRFXSG-UHFFFAOYSA-N 1 1 365.949 3.394 20 10 FGCDMO COc1cccc(O)c1C[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000840959777 730197692 /nfs/dbraw/zinc/19/76/92/730197692.db2.gz UXGSKAPESHWCEN-MRXNPFEDSA-N 1 1 366.255 3.329 20 10 FGCDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000840974873 730199860 /nfs/dbraw/zinc/19/98/60/730199860.db2.gz PIVCGXFHOFJTKT-OAHLLOKOSA-N 1 1 367.287 3.132 20 10 FGCDMO NC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C1CC1 ZINC000841029579 730204751 /nfs/dbraw/zinc/20/47/51/730204751.db2.gz WMNSYZQBNJJPSK-INIZCTEOSA-N 1 1 352.320 3.266 20 10 FGCDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1cccc(Br)c1O ZINC000843865977 730661863 /nfs/dbraw/zinc/66/18/63/730661863.db2.gz BHFURIWQPIEESL-NSHDSACASA-N 1 1 366.259 3.181 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)c1O ZINC000852091259 731542939 /nfs/dbraw/zinc/54/29/39/731542939.db2.gz GEXZHZXQOUSBMD-SFHVURJKSA-N 1 1 362.857 3.493 20 10 FGCDMO CCN(C)c1ccc(C[N@H+]2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)cc1 ZINC000852338099 731572458 /nfs/dbraw/zinc/57/24/58/731572458.db2.gz LEJGUEJKLVJNIN-CABCVRRESA-N 1 1 358.404 3.316 20 10 FGCDMO Cc1cc(Cl)cc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)c1O ZINC000857057822 732098338 /nfs/dbraw/zinc/09/83/38/732098338.db2.gz FDAVJSJGSVESOV-MRXNPFEDSA-N 1 1 351.855 3.113 20 10 FGCDMO COc1ccc([C@H](CO)[N@H+](C)Cc2c(O)cccc2Br)cc1 ZINC000862244455 732796542 /nfs/dbraw/zinc/79/65/42/732796542.db2.gz BCNIOAQMQFXWMQ-INIZCTEOSA-N 1 1 366.255 3.329 20 10 FGCDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2c(O)cccc2Br)cc1 ZINC000862244455 732796544 /nfs/dbraw/zinc/79/65/44/732796544.db2.gz BCNIOAQMQFXWMQ-INIZCTEOSA-N 1 1 366.255 3.329 20 10 FGCDMO CN(C)c1cc(F)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1F ZINC000862316576 732807505 /nfs/dbraw/zinc/80/75/05/732807505.db2.gz QYJXRISSCYRVLE-AWEZNQCLSA-N 1 1 354.441 3.048 20 10 FGCDMO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1F ZINC000862365467 732816492 /nfs/dbraw/zinc/81/64/92/732816492.db2.gz TWWYCYLACKIOPO-NEPJUHHUSA-N 1 1 352.347 3.024 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1F ZINC000862365467 732816496 /nfs/dbraw/zinc/81/64/96/732816496.db2.gz TWWYCYLACKIOPO-NEPJUHHUSA-N 1 1 352.347 3.024 20 10 FGCDMO COc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(O)c(C(C)(C)C)c1 ZINC000862526816 732843303 /nfs/dbraw/zinc/84/33/03/732843303.db2.gz FBMBNBPLXFYOSH-YPCHGGDPSA-N 1 1 351.512 3.184 20 10 FGCDMO [NH3+]C[C@H]1CN(Cc2cccc(Br)c2O)CC[C@@H]1C(F)(F)F ZINC000863647006 732990152 /nfs/dbraw/zinc/99/01/52/732990152.db2.gz ULZSZOLPIFWOMO-QWRGUYRKSA-N 1 1 367.209 3.114 20 10 FGCDMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc(C)cc2O)CC1 ZINC000877547887 736682037 /nfs/dbraw/zinc/68/20/37/736682037.db2.gz NOIMEQAKIROZLW-UHFFFAOYSA-N 1 1 359.495 3.170 20 10 FGCDMO C[C@](CO)([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc([N+](=O)[O-])c1 ZINC000877691427 736706135 /nfs/dbraw/zinc/70/61/35/736706135.db2.gz LBESIKOSNLTBRO-MRXNPFEDSA-N 1 1 354.765 3.090 20 10 FGCDMO Cc1ccc(S(=O)(=O)C2CC[NH+](Cc3c(C)cccc3O)CC2)cc1 ZINC000877779858 736719454 /nfs/dbraw/zinc/71/94/54/736719454.db2.gz GIKJUQNNWWYKRC-UHFFFAOYSA-N 1 1 359.491 3.447 20 10 FGCDMO COc1c([O-])c(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)ccc1[N+](=O)[O-] ZINC000896226211 742517177 /nfs/dbraw/zinc/51/71/77/742517177.db2.gz DJJZRWUQUKGYNY-CYBMUJFWSA-N 1 1 364.295 3.175 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)ccc1[N+](=O)[O-] ZINC000896226211 742517183 /nfs/dbraw/zinc/51/71/83/742517183.db2.gz DJJZRWUQUKGYNY-CYBMUJFWSA-N 1 1 364.295 3.175 20 10 FGCDMO COc1c(O)c(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)ccc1[N+](=O)[O-] ZINC000896226211 742517190 /nfs/dbraw/zinc/51/71/90/742517190.db2.gz DJJZRWUQUKGYNY-CYBMUJFWSA-N 1 1 364.295 3.175 20 10 FGCDMO C[C@@](CO)([NH2+]Cc1cc(F)cc(F)c1O)c1cccc(Br)c1 ZINC000898167993 742751839 /nfs/dbraw/zinc/75/18/39/742751839.db2.gz SVDKFJLOWFSFBG-INIZCTEOSA-N 1 1 372.209 3.430 20 10 FGCDMO C[C@@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1ccc(F)cc1O ZINC000903425517 743849177 /nfs/dbraw/zinc/84/91/77/743849177.db2.gz ICZXZVPUUOVFLB-GFCCVEGCSA-N 1 1 364.442 3.286 20 10 FGCDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000073721917 494418376 /nfs/dbraw/zinc/41/83/76/494418376.db2.gz KNCLKIZRVUHWPR-LJQANCHMSA-N 1 1 358.530 3.160 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124191330 495248492 /nfs/dbraw/zinc/24/84/92/495248492.db2.gz LVYVEYMMCOTSOH-MRXNPFEDSA-N 1 1 370.497 3.488 20 10 FGCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105276125 495351947 /nfs/dbraw/zinc/35/19/47/495351947.db2.gz MZNBFMIRIMCKCE-LJQANCHMSA-N 1 1 360.546 3.405 20 10 FGCDMO COc1ccc([C@@H](CCO)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000182394630 495546963 /nfs/dbraw/zinc/54/69/63/495546963.db2.gz LQTPWLZAWLNYOX-GOSISDBHSA-N 1 1 363.841 3.470 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000179780764 495733065 /nfs/dbraw/zinc/73/30/65/495733065.db2.gz SJJIDRFBSIGQCY-HNNXBMFYSA-N 1 1 352.438 3.213 20 10 FGCDMO CCOc1cccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000179939967 495793166 /nfs/dbraw/zinc/79/31/66/495793166.db2.gz FWYAPVCANDCPCJ-AWEZNQCLSA-N 1 1 363.479 3.387 20 10 FGCDMO CCOc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000179939967 495793168 /nfs/dbraw/zinc/79/31/68/495793168.db2.gz FWYAPVCANDCPCJ-AWEZNQCLSA-N 1 1 363.479 3.387 20 10 FGCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183467717 495996812 /nfs/dbraw/zinc/99/68/12/495996812.db2.gz IKHSIRHXQSQBEQ-APWZRJJASA-N 1 1 368.477 3.057 20 10 FGCDMO C[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000180848299 496169355 /nfs/dbraw/zinc/16/93/55/496169355.db2.gz DLOKMMJPZIAAPW-GRWKNNQQSA-N 1 1 366.461 3.280 20 10 FGCDMO C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(F)cc1O ZINC000184965191 496603108 /nfs/dbraw/zinc/60/31/08/496603108.db2.gz ARMKVVLIRQQFCE-OAHLLOKOSA-N 1 1 371.456 3.285 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1cc(Cl)ccc1O ZINC000184968391 496604637 /nfs/dbraw/zinc/60/46/37/496604637.db2.gz HUGQSPNYPYVHLZ-AWEZNQCLSA-N 1 1 360.889 3.043 20 10 FGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CCN(C)CC2)cc1 ZINC000158449726 496705399 /nfs/dbraw/zinc/70/53/99/496705399.db2.gz GZPNQYAJPDVNLC-GOSISDBHSA-N 1 1 367.541 3.140 20 10 FGCDMO COc1cc(Cl)cc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000273736152 496889282 /nfs/dbraw/zinc/88/92/82/496889282.db2.gz LBJBVQZBHOHMQO-UHFFFAOYSA-N 1 1 360.841 3.318 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195349402 496898294 /nfs/dbraw/zinc/89/82/94/496898294.db2.gz KAXMZJDAMCUOCM-QGZVFWFLSA-N 1 1 372.538 3.047 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195349402 496898299 /nfs/dbraw/zinc/89/82/99/496898299.db2.gz KAXMZJDAMCUOCM-QGZVFWFLSA-N 1 1 372.538 3.047 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000278504230 497137600 /nfs/dbraw/zinc/13/76/00/497137600.db2.gz OOJIHXXXXUUUFZ-PIGZYNQJSA-N 1 1 364.373 3.314 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000278504229 497137817 /nfs/dbraw/zinc/13/78/17/497137817.db2.gz OOJIHXXXXUUUFZ-GTNSWQLSSA-N 1 1 364.373 3.314 20 10 FGCDMO Fc1cc(C[NH2+]Cc2ccc(Br)o2)ccc1N1CCOCC1 ZINC000189499158 497139485 /nfs/dbraw/zinc/13/94/85/497139485.db2.gz YJGDEGAOQCXQBK-UHFFFAOYSA-N 1 1 369.234 3.308 20 10 FGCDMO COc1ccc([C@H]2[C@@H](CNC(=O)Cc3ccc(N)cc3)CCC[N@H+]2C)cc1 ZINC000237380677 497228738 /nfs/dbraw/zinc/22/87/38/497228738.db2.gz MVRSLLICLAIDFE-GCJKJVERSA-N 1 1 367.493 3.019 20 10 FGCDMO CCN(CC)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccco1 ZINC000278849739 497242976 /nfs/dbraw/zinc/24/29/76/497242976.db2.gz KYSKGNKRGOTABB-HNNXBMFYSA-N 1 1 363.414 3.075 20 10 FGCDMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000237565046 497255469 /nfs/dbraw/zinc/25/54/69/497255469.db2.gz KQXSMSHHRIYFJH-UTKZUKDTSA-N 1 1 351.494 3.323 20 10 FGCDMO O=C(c1cccc(O)c1O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000193137620 497311712 /nfs/dbraw/zinc/31/17/12/497311712.db2.gz DHZNQJXGUNIKLC-MJGOQNOKSA-N 1 1 366.461 3.225 20 10 FGCDMO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)sc1C ZINC000279599265 497483779 /nfs/dbraw/zinc/48/37/79/497483779.db2.gz DIIPCOLJQPBTCY-ZDUSSCGKSA-N 1 1 362.451 3.289 20 10 FGCDMO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2cccc(OC)c2O)sc1C ZINC000279599265 497483785 /nfs/dbraw/zinc/48/37/85/497483785.db2.gz DIIPCOLJQPBTCY-ZDUSSCGKSA-N 1 1 362.451 3.289 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000245715688 497513874 /nfs/dbraw/zinc/51/38/74/497513874.db2.gz CTUMEXXLTHHVCX-AZUAARDMSA-N 1 1 356.514 3.212 20 10 FGCDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000245754326 497529269 /nfs/dbraw/zinc/52/92/69/497529269.db2.gz UONNHKVMILJLHL-HDCIMXRVSA-N 1 1 358.482 3.224 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1ccc(F)cc1O ZINC000277014022 497715318 /nfs/dbraw/zinc/71/53/18/497715318.db2.gz CJCFZGVHHWEVCQ-SNVBAGLBSA-N 1 1 357.834 3.439 20 10 FGCDMO O=C(NCc1ccccc1O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000263697274 497809348 /nfs/dbraw/zinc/80/93/48/497809348.db2.gz HSHGTDRONIWFBW-HNNXBMFYSA-N 1 1 359.495 3.165 20 10 FGCDMO COc1cc2[nH+]c(NCc3ccc(N(C)C)cc3C)nc(N)c2cc1OC ZINC000301281861 498036308 /nfs/dbraw/zinc/03/63/08/498036308.db2.gz KKSOVAPBZWUAOT-UHFFFAOYSA-N 1 1 367.453 3.216 20 10 FGCDMO COC1CCN(c2ccc(C[NH+]3CCN(Cc4ccco4)CC3)cc2)CC1 ZINC000296467008 498054665 /nfs/dbraw/zinc/05/46/65/498054665.db2.gz JSKDXONIWAEBKD-UHFFFAOYSA-N 1 1 369.509 3.213 20 10 FGCDMO CCOc1cccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1O ZINC000289373546 498124311 /nfs/dbraw/zinc/12/43/11/498124311.db2.gz BDBYDDUTPADTJJ-OAQYLSRUSA-N 1 1 359.441 3.357 20 10 FGCDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)Cc1ccc(N3CCCCC3)cc1)C2 ZINC000289469129 498159555 /nfs/dbraw/zinc/15/95/55/498159555.db2.gz HCWFNJMQBGASSZ-IBGZPJMESA-N 1 1 366.509 3.403 20 10 FGCDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)cc1F ZINC000364870644 498183856 /nfs/dbraw/zinc/18/38/56/498183856.db2.gz VLKFFSHJLXRVEJ-CYBMUJFWSA-N 1 1 352.413 3.322 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000294226071 498625811 /nfs/dbraw/zinc/62/58/11/498625811.db2.gz MBYCYGYQRAPLEJ-UHFFFAOYSA-N 1 1 364.848 3.307 20 10 FGCDMO Cc1cc(CNC(=O)N(C)Cc2ccccc2O)cc(N2CCCC2)[nH+]1 ZINC000290934885 498728119 /nfs/dbraw/zinc/72/81/19/498728119.db2.gz AAOXQYWQXUZGQJ-UHFFFAOYSA-N 1 1 354.454 3.037 20 10 FGCDMO C[C@@H]1CN(c2ccc(CNC3CC[NH+](C4CC4)CC3)cc2F)C[C@H](C)O1 ZINC000298549947 498811411 /nfs/dbraw/zinc/81/14/11/498811411.db2.gz UOKQMAMIRDAJQA-IYBDPMFKSA-N 1 1 361.505 3.156 20 10 FGCDMO Cc1cc(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)ccc1N(C)C ZINC000295133386 498920761 /nfs/dbraw/zinc/92/07/61/498920761.db2.gz LIVQWOADBYRTED-HXUWFJFHSA-N 1 1 368.525 3.191 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cnc(C(C)(C)C)nc1 ZINC000284353801 499094049 /nfs/dbraw/zinc/09/40/49/499094049.db2.gz MMTVUBQIWWCJJO-UHFFFAOYSA-N 1 1 354.498 3.243 20 10 FGCDMO CC[C@H](c1ccccc1O)[N@H+]1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000367319827 499180531 /nfs/dbraw/zinc/18/05/31/499180531.db2.gz XZADNSLAGNIRPR-NVXWUHKLSA-N 1 1 374.485 3.142 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](c2nc(C)no2)C2CCOCC2)cc1 ZINC000370159107 499190218 /nfs/dbraw/zinc/19/02/18/499190218.db2.gz FKUAARWZVFRSFC-LJQANCHMSA-N 1 1 358.486 3.482 20 10 FGCDMO CC[C@H](c1ccccc1O)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000367376460 499190989 /nfs/dbraw/zinc/19/09/89/499190989.db2.gz ATXLZXUNYYLGQS-XYJFISCASA-N 1 1 360.477 3.121 20 10 FGCDMO CCOc1ccccc1C(=O)N1CCC([NH2+]Cc2cccc(F)c2O)CC1 ZINC000367929587 499246521 /nfs/dbraw/zinc/24/65/21/499246521.db2.gz LQTWEVFOCAVKQP-UHFFFAOYSA-N 1 1 372.440 3.324 20 10 FGCDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000368566514 499308223 /nfs/dbraw/zinc/30/82/23/499308223.db2.gz LIQNTAOQQGMASS-GOSISDBHSA-N 1 1 370.541 3.445 20 10 FGCDMO CCc1nc(CN2CCC[N@@H+](Cc3cccc(OC)c3O)CC2)cs1 ZINC000371373990 499316877 /nfs/dbraw/zinc/31/68/77/499316877.db2.gz PCYSBCGJPWLVNJ-UHFFFAOYSA-N 1 1 361.511 3.128 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000368810360 499335170 /nfs/dbraw/zinc/33/51/70/499335170.db2.gz NLTZCOIHORTJLY-OAHLLOKOSA-N 1 1 372.440 3.449 20 10 FGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1nnc2n1CCCCC2 ZINC000371984973 499387219 /nfs/dbraw/zinc/38/72/19/499387219.db2.gz QNWBCIONSGFEPL-IRXDYDNUSA-N 1 1 369.513 3.253 20 10 FGCDMO CCOc1ccc(O)c(C[NH2+]Cc2nnc(-c3ccncc3F)s2)c1 ZINC000373475703 499471990 /nfs/dbraw/zinc/47/19/90/499471990.db2.gz SNHSVYLUAMCVDN-UHFFFAOYSA-N 1 1 360.414 3.133 20 10 FGCDMO COc1cc(O)c(C[NH2+]C[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1OC ZINC000378522540 499527589 /nfs/dbraw/zinc/52/75/89/499527589.db2.gz SPCNDYZGNYJRSP-HRAATJIYSA-N 1 1 356.466 3.192 20 10 FGCDMO CC[C@@H]([NH2+]Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(F)cc1O ZINC000375836504 499560446 /nfs/dbraw/zinc/56/04/46/499560446.db2.gz CSAAAAYOPFXIFX-GXFFZTMASA-N 1 1 372.366 3.488 20 10 FGCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000377246550 499673581 /nfs/dbraw/zinc/67/35/81/499673581.db2.gz UYBQYJJPJDBMSP-NZQKXSOJSA-N 1 1 370.585 3.135 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000377246550 499673583 /nfs/dbraw/zinc/67/35/83/499673583.db2.gz UYBQYJJPJDBMSP-NZQKXSOJSA-N 1 1 370.585 3.135 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1O ZINC000377886715 499745540 /nfs/dbraw/zinc/74/55/40/499745540.db2.gz AGLCRHSQKUIPJJ-LBPRGKRZSA-N 1 1 350.260 3.186 20 10 FGCDMO CCOCCN(CC)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435880492 501040825 /nfs/dbraw/zinc/04/08/25/501040825.db2.gz PAJNFGNQTQLIQG-UHFFFAOYSA-N 1 1 371.525 3.293 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000472229592 502278695 /nfs/dbraw/zinc/27/86/95/502278695.db2.gz MAWKKJYUFYETAP-QGZVFWFLSA-N 1 1 354.498 3.303 20 10 FGCDMO O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000528147325 504090930 /nfs/dbraw/zinc/09/09/30/504090930.db2.gz LBNFCYPQRRUBIU-MRXNPFEDSA-N 1 1 351.878 3.252 20 10 FGCDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000528866612 504423400 /nfs/dbraw/zinc/42/34/00/504423400.db2.gz XBQYHKZRNDBGOT-RTBURBONSA-N 1 1 368.477 3.262 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](F)C2)C1 ZINC000567244217 505405834 /nfs/dbraw/zinc/40/58/34/505405834.db2.gz VWNKYTXWNXLTLN-MRXNPFEDSA-N 1 1 357.473 3.368 20 10 FGCDMO COc1cc(C)cc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1O ZINC000826178338 607846445 /nfs/dbraw/zinc/84/64/45/607846445.db2.gz TVXPVHBBERJHIN-UHFFFAOYSA-N 1 1 367.453 3.300 20 10 FGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000824296851 608385280 /nfs/dbraw/zinc/38/52/80/608385280.db2.gz LAUXNPACYHAUOV-UHFFFAOYSA-N 1 1 368.460 3.482 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC000824010646 608486608 /nfs/dbraw/zinc/48/66/08/608486608.db2.gz OIQMHTRHFZTGEU-JTQLQIEISA-N 1 1 371.828 3.279 20 10 FGCDMO C[N@H+](Cc1cc2c(cc1O)OCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000027532838 695694635 /nfs/dbraw/zinc/69/46/35/695694635.db2.gz PYYOKLIXWYCQIY-UHFFFAOYSA-N 1 1 350.758 3.315 20 10 FGCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000027532838 695694638 /nfs/dbraw/zinc/69/46/38/695694638.db2.gz PYYOKLIXWYCQIY-UHFFFAOYSA-N 1 1 350.758 3.315 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000048795212 695889588 /nfs/dbraw/zinc/88/95/88/695889588.db2.gz FQBGGTSSQTYBRE-GFCCVEGCSA-N 1 1 350.212 3.084 20 10 FGCDMO CC[N@@H+](CC(=O)N[C@H](C)C(C)C)Cc1cc(Br)ccc1O ZINC000076118464 700224615 /nfs/dbraw/zinc/22/46/15/700224615.db2.gz WLSGFOWERJHNKJ-GFCCVEGCSA-N 1 1 357.292 3.137 20 10 FGCDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CSc2nccs2)CC1 ZINC000077630027 700257854 /nfs/dbraw/zinc/25/78/54/700257854.db2.gz XKDPUXHIYVZXSX-UHFFFAOYSA-N 1 1 361.536 3.278 20 10 FGCDMO Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3nccs3)CC2)cc1 ZINC000079446452 700299627 /nfs/dbraw/zinc/29/96/27/700299627.db2.gz RFHOGLMOEBXHMG-UHFFFAOYSA-N 1 1 361.536 3.278 20 10 FGCDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000092706337 700440049 /nfs/dbraw/zinc/44/00/49/700440049.db2.gz UMCAHZSLIJELAY-ZDUSSCGKSA-N 1 1 369.303 3.139 20 10 FGCDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000092706337 700440050 /nfs/dbraw/zinc/44/00/50/700440050.db2.gz UMCAHZSLIJELAY-ZDUSSCGKSA-N 1 1 369.303 3.139 20 10 FGCDMO C[C@@H]([NH2+]Cc1cccc(Br)c1O)c1ccc(NC(N)=O)cc1 ZINC000098039220 700465120 /nfs/dbraw/zinc/46/51/20/700465120.db2.gz ATJSMTSIBIADJJ-SNVBAGLBSA-N 1 1 364.243 3.496 20 10 FGCDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000123651076 700708037 /nfs/dbraw/zinc/70/80/37/700708037.db2.gz MAEBLNFXDZFGFK-PWSUYJOCSA-N 1 1 354.166 3.042 20 10 FGCDMO CC(C)C[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000131850577 700820474 /nfs/dbraw/zinc/82/04/74/700820474.db2.gz YAFIESMHYFDPFG-WMZOPIPTSA-N 1 1 351.510 3.289 20 10 FGCDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCSc1nccs1 ZINC000152727517 704972386 /nfs/dbraw/zinc/97/23/86/704972386.db2.gz JNQHOOMYQZNZRF-UONOGXRCSA-N 1 1 356.561 3.045 20 10 FGCDMO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)cn1 ZINC000189879055 712802913 /nfs/dbraw/zinc/80/29/13/712802913.db2.gz XVJUYHOCCIUYPN-MRXNPFEDSA-N 1 1 361.511 3.419 20 10 FGCDMO Cn1cc([C@H]2CSCC[N@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)cn1 ZINC000189879055 712802914 /nfs/dbraw/zinc/80/29/14/712802914.db2.gz XVJUYHOCCIUYPN-MRXNPFEDSA-N 1 1 361.511 3.419 20 10 FGCDMO Cc1cc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000192944216 712878620 /nfs/dbraw/zinc/87/86/20/712878620.db2.gz ACFCVAVWSVGLMK-MRXNPFEDSA-N 1 1 351.512 3.150 20 10 FGCDMO Cc1cc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000192944216 712878626 /nfs/dbraw/zinc/87/86/26/712878626.db2.gz ACFCVAVWSVGLMK-MRXNPFEDSA-N 1 1 351.512 3.150 20 10 FGCDMO COCCO[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000802652201 724397464 /nfs/dbraw/zinc/39/74/64/724397464.db2.gz PJIBEWRZOVMTCS-INIZCTEOSA-N 1 1 360.420 3.399 20 10 FGCDMO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(N(C)C)c(F)c1 ZINC000802653564 724398008 /nfs/dbraw/zinc/39/80/08/724398008.db2.gz YLBGJWOVOSHASN-UHFFFAOYSA-N 1 1 363.502 3.400 20 10 FGCDMO CC1CC[NH+](CCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000804949759 724568432 /nfs/dbraw/zinc/56/84/32/724568432.db2.gz AJSYWRDQSDOGMV-UHFFFAOYSA-N 1 1 360.285 3.230 20 10 FGCDMO CCOCCO[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781910949 724611317 /nfs/dbraw/zinc/61/13/17/724611317.db2.gz PLXCZMUCCUNNAM-AWEZNQCLSA-N 1 1 358.276 3.091 20 10 FGCDMO CCOCCO[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781910949 724611321 /nfs/dbraw/zinc/61/13/21/724611321.db2.gz PLXCZMUCCUNNAM-AWEZNQCLSA-N 1 1 358.276 3.091 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000781917408 724612311 /nfs/dbraw/zinc/61/23/11/724612311.db2.gz DMKOZFRJJSYSIE-OAHLLOKOSA-N 1 1 354.219 3.425 20 10 FGCDMO CCc1cccc(NC(=O)C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000732230305 722482911 /nfs/dbraw/zinc/48/29/11/722482911.db2.gz BJYXWIMIPGAMOR-UHFFFAOYSA-N 1 1 363.255 3.445 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000750046475 722752892 /nfs/dbraw/zinc/75/28/92/722752892.db2.gz ALNSGQUTHBMNBJ-AWEZNQCLSA-N 1 1 364.873 3.083 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc(Br)c(F)cc1O ZINC000756353109 722963297 /nfs/dbraw/zinc/96/32/97/722963297.db2.gz XRWMKRQQOHRRSC-VIFPVBQESA-N 1 1 367.218 3.244 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc(Br)c(F)cc1O ZINC000756353107 722963302 /nfs/dbraw/zinc/96/33/02/722963302.db2.gz XRWMKRQQOHRRSC-SECBINFHSA-N 1 1 367.218 3.244 20 10 FGCDMO C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756403285 722964082 /nfs/dbraw/zinc/96/40/82/722964082.db2.gz XNXLXQONHUKQFG-WDEREUQCSA-N 1 1 357.267 3.429 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cccc(F)c3O)C[C@@H]12 ZINC000757999610 722982747 /nfs/dbraw/zinc/98/27/47/722982747.db2.gz SYXOKMXWJUPKAE-XNRPHZJLSA-N 1 1 350.434 3.266 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@@H]12 ZINC000757999610 722982748 /nfs/dbraw/zinc/98/27/48/722982748.db2.gz SYXOKMXWJUPKAE-XNRPHZJLSA-N 1 1 350.434 3.266 20 10 FGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)c1O ZINC000790751280 723173664 /nfs/dbraw/zinc/17/36/64/723173664.db2.gz VUWSVLCWWADIRL-NXEZZACHSA-N 1 1 366.263 3.196 20 10 FGCDMO COc1cc(OC)cc(OCC[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000790977380 723201745 /nfs/dbraw/zinc/20/17/45/723201745.db2.gz JGNLYRFGFUJXQS-UHFFFAOYSA-N 1 1 355.793 3.371 20 10 FGCDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792826755 723372008 /nfs/dbraw/zinc/37/20/08/723372008.db2.gz KMEKYERWZXBGAW-RYUDHWBXSA-N 1 1 366.449 3.025 20 10 FGCDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792826755 723372011 /nfs/dbraw/zinc/37/20/11/723372011.db2.gz KMEKYERWZXBGAW-RYUDHWBXSA-N 1 1 366.449 3.025 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1F ZINC000793366096 723430868 /nfs/dbraw/zinc/43/08/68/723430868.db2.gz QKSSDBWQFZRLGA-FQEVSTJZSA-N 1 1 350.478 3.442 20 10 FGCDMO CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765073474 723475852 /nfs/dbraw/zinc/47/58/52/723475852.db2.gz KFWLFGHUOLPYLO-CVEARBPZSA-N 1 1 351.922 3.169 20 10 FGCDMO C[C@@H](C(=O)NCc1cccc(Br)c1O)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000765733200 723536191 /nfs/dbraw/zinc/53/61/91/723536191.db2.gz VGICGQTXXABITI-TUAOUCFPSA-N 1 1 355.276 3.032 20 10 FGCDMO O=C(NCc1cccc(Br)c1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000765747125 723537646 /nfs/dbraw/zinc/53/76/46/723537646.db2.gz MFBKODPQILUTNC-OAHLLOKOSA-N 1 1 367.287 3.178 20 10 FGCDMO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766165402 723559104 /nfs/dbraw/zinc/55/91/04/723559104.db2.gz HQAPOVXFWNLTIJ-PMPSAXMXSA-N 1 1 351.922 3.310 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766165402 723559105 /nfs/dbraw/zinc/55/91/05/723559105.db2.gz HQAPOVXFWNLTIJ-PMPSAXMXSA-N 1 1 351.922 3.310 20 10 FGCDMO COc1cc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000766668327 723585843 /nfs/dbraw/zinc/58/58/43/723585843.db2.gz LGHJCZCMLIQGJJ-MRXNPFEDSA-N 1 1 369.527 3.097 20 10 FGCDMO Cc1cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000766671302 723585906 /nfs/dbraw/zinc/58/59/06/723585906.db2.gz SQIKFNOFUBEBQH-INIZCTEOSA-N 1 1 353.528 3.397 20 10 FGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1C ZINC000795654857 723604530 /nfs/dbraw/zinc/60/45/30/723604530.db2.gz FOVGBHVVACVNJQ-AWEZNQCLSA-N 1 1 358.404 3.290 20 10 FGCDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000795687202 723605759 /nfs/dbraw/zinc/60/57/59/723605759.db2.gz JQUUOGUYONRUSB-KRWDZBQOSA-N 1 1 353.340 3.473 20 10 FGCDMO CC[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1O ZINC000796756300 723653622 /nfs/dbraw/zinc/65/36/22/723653622.db2.gz UYDSTFPFXVOLEU-KRWDZBQOSA-N 1 1 367.442 3.055 20 10 FGCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccc(Cl)cc3)C1)[C@@H](O)CO2 ZINC000768441589 723657779 /nfs/dbraw/zinc/65/77/79/723657779.db2.gz DTHBKDYWCQTDBT-PKOBYXMFSA-N 1 1 361.825 3.045 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccc(Cl)cc3)C1)[C@@H](O)CO2 ZINC000768441589 723657780 /nfs/dbraw/zinc/65/77/80/723657780.db2.gz DTHBKDYWCQTDBT-PKOBYXMFSA-N 1 1 361.825 3.045 20 10 FGCDMO COc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000768466489 723658464 /nfs/dbraw/zinc/65/84/64/723658464.db2.gz QUKGHYUMTXKVMK-HNNXBMFYSA-N 1 1 350.459 3.150 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@@H](C)[C@@H](O)C3)c2C)c1 ZINC000768770160 723666851 /nfs/dbraw/zinc/66/68/51/723666851.db2.gz SFKQNNPZMQTYFG-YJYMSZOUSA-N 1 1 358.507 3.311 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3C[C@@H](C)[C@@H](O)C3)c2C)c1 ZINC000768770160 723666852 /nfs/dbraw/zinc/66/68/52/723666852.db2.gz SFKQNNPZMQTYFG-YJYMSZOUSA-N 1 1 358.507 3.311 20 10 FGCDMO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000768940440 723672737 /nfs/dbraw/zinc/67/27/37/723672737.db2.gz JRBXPTNQTYRERV-GFCCVEGCSA-N 1 1 350.260 3.268 20 10 FGCDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000768940440 723672738 /nfs/dbraw/zinc/67/27/38/723672738.db2.gz JRBXPTNQTYRERV-GFCCVEGCSA-N 1 1 350.260 3.268 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1F ZINC000769334041 723682764 /nfs/dbraw/zinc/68/27/64/723682764.db2.gz NHVGNDJUBMRWQD-OAHLLOKOSA-N 1 1 351.466 3.333 20 10 FGCDMO CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCN1CC(F)F ZINC000769515006 723688439 /nfs/dbraw/zinc/68/84/39/723688439.db2.gz QDMNJRWGPABVEZ-CYBMUJFWSA-N 1 1 363.246 3.316 20 10 FGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCN1CC(F)F ZINC000769515006 723688440 /nfs/dbraw/zinc/68/84/40/723688440.db2.gz QDMNJRWGPABVEZ-CYBMUJFWSA-N 1 1 363.246 3.316 20 10 FGCDMO O=C(CCn1cccc1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771069224 723727209 /nfs/dbraw/zinc/72/72/09/723727209.db2.gz XRMXXQVYUDGUCX-KRWDZBQOSA-N 1 1 361.873 3.018 20 10 FGCDMO COc1c(O)c(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775106443 723961427 /nfs/dbraw/zinc/96/14/27/723961427.db2.gz HGAAEHCNUVVMSW-UHFFFAOYSA-N 1 1 350.415 3.233 20 10 FGCDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000775185754 723969237 /nfs/dbraw/zinc/96/92/37/723969237.db2.gz VSVZRDLUKPLZPT-IBGZPJMESA-N 1 1 351.443 3.107 20 10 FGCDMO CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775500122 723996380 /nfs/dbraw/zinc/99/63/80/723996380.db2.gz WKSAJTFNKZSRPM-YJBOKZPZSA-N 1 1 353.938 3.360 20 10 FGCDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000775664729 724019266 /nfs/dbraw/zinc/01/92/66/724019266.db2.gz UVBWZECXVHJPFK-HNNXBMFYSA-N 1 1 369.303 3.296 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)nn1C)Cc1ccc(N(C)C)cc1 ZINC000787051073 725015017 /nfs/dbraw/zinc/01/50/17/725015017.db2.gz HLSLTWHQVBMQHI-UHFFFAOYSA-N 1 1 351.292 3.271 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000805071480 725047943 /nfs/dbraw/zinc/04/79/43/725047943.db2.gz VENYCXZPRXRYCY-UONOGXRCSA-N 1 1 358.269 3.125 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000805071480 725047946 /nfs/dbraw/zinc/04/79/46/725047946.db2.gz VENYCXZPRXRYCY-UONOGXRCSA-N 1 1 358.269 3.125 20 10 FGCDMO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806599232 725136571 /nfs/dbraw/zinc/13/65/71/725136571.db2.gz QQKUNVXDCSZXGY-LBPRGKRZSA-N 1 1 362.326 3.147 20 10 FGCDMO CC[N@H+]1CCC[C@H]1CNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806599232 725136574 /nfs/dbraw/zinc/13/65/74/725136574.db2.gz QQKUNVXDCSZXGY-LBPRGKRZSA-N 1 1 362.326 3.147 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000808452783 725202015 /nfs/dbraw/zinc/20/20/15/725202015.db2.gz QNLYAABWUKSQOU-ZDUSSCGKSA-N 1 1 352.203 3.387 20 10 FGCDMO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809639629 725255022 /nfs/dbraw/zinc/25/50/22/725255022.db2.gz MOGNNCPAKBKYID-CRICUBBOSA-N 1 1 356.535 3.448 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCCN(CC(F)F)CC2)c1 ZINC000809757612 725265708 /nfs/dbraw/zinc/26/57/08/725265708.db2.gz QBKRDKJIWDZWAU-UHFFFAOYSA-N 1 1 363.246 3.236 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC000809757612 725265711 /nfs/dbraw/zinc/26/57/11/725265711.db2.gz QBKRDKJIWDZWAU-UHFFFAOYSA-N 1 1 363.246 3.236 20 10 FGCDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000811931757 725385147 /nfs/dbraw/zinc/38/51/47/725385147.db2.gz RPTBDSLSXQYZCC-LBPRGKRZSA-N 1 1 372.307 3.074 20 10 FGCDMO COC[C@H](C)[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000812536056 725399700 /nfs/dbraw/zinc/39/97/00/725399700.db2.gz OXUAPZAJLGNUPS-VBQJREDUSA-N 1 1 368.905 3.045 20 10 FGCDMO CCOc1ccc(C[NH2+][C@H](C)c2ncc(Br)cn2)c(O)c1 ZINC000814302358 726955100 /nfs/dbraw/zinc/95/51/00/726955100.db2.gz UPEGBUUTQURHSG-SNVBAGLBSA-N 1 1 352.232 3.194 20 10 FGCDMO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000815615685 727086659 /nfs/dbraw/zinc/08/66/59/727086659.db2.gz VBFZHIGWLBEKTO-QWRGUYRKSA-N 1 1 351.390 3.029 20 10 FGCDMO CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000816549015 727174009 /nfs/dbraw/zinc/17/40/09/727174009.db2.gz AGMYOWGENFFYLI-GUYCJALGSA-N 1 1 358.885 3.411 20 10 FGCDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)n1 ZINC000816593597 727178937 /nfs/dbraw/zinc/17/89/37/727178937.db2.gz XJYGXMDLEJIGSL-UHFFFAOYSA-N 1 1 354.769 3.127 20 10 FGCDMO Cc1cc(Cl)cc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1O ZINC000816641834 727184140 /nfs/dbraw/zinc/18/41/40/727184140.db2.gz HOAMEZTYNIXFAC-GOSISDBHSA-N 1 1 358.869 3.287 20 10 FGCDMO CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])CC2)CC1 ZINC000817413723 727248895 /nfs/dbraw/zinc/24/88/95/727248895.db2.gz BTUFRXQBQYGASM-UHFFFAOYSA-N 1 1 369.912 3.177 20 10 FGCDMO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCCN1 ZINC000817899394 727287508 /nfs/dbraw/zinc/28/75/08/727287508.db2.gz LMLVUBMZWHOHQS-RKVPGOIHSA-N 1 1 353.457 3.377 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@H](CC(N)=O)C2)cc1 ZINC000823476686 729283825 /nfs/dbraw/zinc/28/38/25/729283825.db2.gz AOGJSYDMHSUSLV-QGZVFWFLSA-N 1 1 357.523 3.472 20 10 FGCDMO CC[N@@H+](Cc1cnc2n1CCC2)Cc1cc(Br)ccc1O ZINC000824913351 729364774 /nfs/dbraw/zinc/36/47/74/729364774.db2.gz PPWVNYBUUWQAMY-UHFFFAOYSA-N 1 1 350.260 3.320 20 10 FGCDMO CC[C@@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@@H](C)[S@@]1=O ZINC000825885565 729398319 /nfs/dbraw/zinc/39/83/19/729398319.db2.gz HZLARNWKDUDHNN-LBCXTIRYSA-N 1 1 353.528 3.430 20 10 FGCDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@@H](C)[S@@]1=O ZINC000825885565 729398322 /nfs/dbraw/zinc/39/83/22/729398322.db2.gz HZLARNWKDUDHNN-LBCXTIRYSA-N 1 1 353.528 3.430 20 10 FGCDMO Cc1cc(C[N@@H+](CCS(C)(=O)=O)C(C)C)ccc1N1CCCCC1 ZINC000828480279 729443873 /nfs/dbraw/zinc/44/38/73/729443873.db2.gz NWNNXOHVNDIYJP-UHFFFAOYSA-N 1 1 352.544 3.240 20 10 FGCDMO Cc1cc(C[N@H+](CCS(C)(=O)=O)C(C)C)ccc1N1CCCCC1 ZINC000828480279 729443874 /nfs/dbraw/zinc/44/38/74/729443874.db2.gz NWNNXOHVNDIYJP-UHFFFAOYSA-N 1 1 352.544 3.240 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000830557991 729571036 /nfs/dbraw/zinc/57/10/36/729571036.db2.gz HFLMNNCNTJEQLC-CYBMUJFWSA-N 1 1 366.889 3.362 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1O ZINC000830557991 729571038 /nfs/dbraw/zinc/57/10/38/729571038.db2.gz HFLMNNCNTJEQLC-CYBMUJFWSA-N 1 1 366.889 3.362 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1O ZINC000830557991 729571044 /nfs/dbraw/zinc/57/10/44/729571044.db2.gz HFLMNNCNTJEQLC-CYBMUJFWSA-N 1 1 366.889 3.362 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+](C)CC(C)(C)CO)c(C)n1-c1ccc(Cl)cn1 ZINC000830708574 729585879 /nfs/dbraw/zinc/58/58/79/729585879.db2.gz VDXYJUFXQZBDBD-UHFFFAOYSA-N 1 1 363.889 3.276 20 10 FGCDMO Cc1cc(C(=O)C[N@H+](C)CC(C)(C)CO)c(C)n1-c1ccc(Cl)cn1 ZINC000830708574 729585883 /nfs/dbraw/zinc/58/58/83/729585883.db2.gz VDXYJUFXQZBDBD-UHFFFAOYSA-N 1 1 363.889 3.276 20 10 FGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2nn(C)cc2Br)c2c1c(F)ccc2O ZINC000834884090 729842521 /nfs/dbraw/zinc/84/25/21/729842521.db2.gz JOXXHZIHOCZGCE-LDYMZIIASA-N 1 1 354.223 3.365 20 10 FGCDMO Cc1nc(CN2CC[NH+](C/C=C\c3ccc(N(C)C)cc3)CC2)cs1 ZINC000835025531 729850727 /nfs/dbraw/zinc/85/07/27/729850727.db2.gz KQMHZIOCKZXZTG-PLNGDYQASA-N 1 1 356.539 3.349 20 10 FGCDMO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000835047383 729852760 /nfs/dbraw/zinc/85/27/60/729852760.db2.gz RSHTUVYLLMUOHX-AQWUKCDYSA-N 1 1 358.507 3.141 20 10 FGCDMO Cc1[nH+]ccn1CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000837602133 730046315 /nfs/dbraw/zinc/04/63/15/730046315.db2.gz MAIFIZWQAUJZND-CQSZACIVSA-N 1 1 360.889 3.398 20 10 FGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccccc2OC(F)(F)F)cc1 ZINC000841042949 730205883 /nfs/dbraw/zinc/20/58/83/730205883.db2.gz NABAHNARHLSIJD-MRXNPFEDSA-N 1 1 353.388 3.441 20 10 FGCDMO C[C@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1ccc(Cl)cc1O ZINC000841752869 730270734 /nfs/dbraw/zinc/27/07/34/730270734.db2.gz QOYHWEYZFPOHBI-LBPRGKRZSA-N 1 1 359.857 3.062 20 10 FGCDMO C[C@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1ccc(Cl)cc1O ZINC000841752869 730270735 /nfs/dbraw/zinc/27/07/35/730270735.db2.gz QOYHWEYZFPOHBI-LBPRGKRZSA-N 1 1 359.857 3.062 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1O ZINC000843417393 730618113 /nfs/dbraw/zinc/61/81/13/730618113.db2.gz FJGVOGKFNKXORV-OAHLLOKOSA-N 1 1 358.301 3.171 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCO[C@]3(CCSC3)C2)c1O ZINC000843417393 730618115 /nfs/dbraw/zinc/61/81/15/730618115.db2.gz FJGVOGKFNKXORV-OAHLLOKOSA-N 1 1 358.301 3.171 20 10 FGCDMO CCC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCN(C)C1 ZINC000843422686 730619474 /nfs/dbraw/zinc/61/94/74/730619474.db2.gz QBWXLGDLDSTGIB-CQSZACIVSA-N 1 1 357.292 3.079 20 10 FGCDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000843433337 730620546 /nfs/dbraw/zinc/62/05/46/730620546.db2.gz XSMIYQCGFFOREF-KRWDZBQOSA-N 1 1 352.356 3.046 20 10 FGCDMO COc1ccc(N(C)CC[N@H+](C)CC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000844398873 730712965 /nfs/dbraw/zinc/71/29/65/730712965.db2.gz DIRFKERLLQPWBY-HNNXBMFYSA-N 1 1 361.511 3.002 20 10 FGCDMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000844398873 730712968 /nfs/dbraw/zinc/71/29/68/730712968.db2.gz DIRFKERLLQPWBY-HNNXBMFYSA-N 1 1 361.511 3.002 20 10 FGCDMO COc1ccc(N(C)CC[N@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000844400273 730713068 /nfs/dbraw/zinc/71/30/68/730713068.db2.gz YYMGFHLLYKGAGV-UHFFFAOYSA-N 1 1 358.467 3.375 20 10 FGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1 ZINC000844400273 730713070 /nfs/dbraw/zinc/71/30/70/730713070.db2.gz YYMGFHLLYKGAGV-UHFFFAOYSA-N 1 1 358.467 3.375 20 10 FGCDMO CCN(Cc1ccccc1)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000846100962 730928823 /nfs/dbraw/zinc/92/88/23/730928823.db2.gz WLJUYYYOWXBWMO-WATLYSKOSA-N 1 1 354.519 3.418 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)CSCCF)cc2F)CC1 ZINC000850434599 731356983 /nfs/dbraw/zinc/35/69/83/731356983.db2.gz ZASPZGQXXQZIFR-HNNXBMFYSA-N 1 1 357.514 3.148 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1O ZINC000852564222 731601433 /nfs/dbraw/zinc/60/14/33/731601433.db2.gz YIXFKUYWTOXJGN-KDOFPFPSSA-N 1 1 361.873 3.483 20 10 FGCDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000853529929 731718768 /nfs/dbraw/zinc/71/87/68/731718768.db2.gz RXCSYJZTHUZVCH-CABCVRRESA-N 1 1 357.372 3.054 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(Br)c(F)cc1O ZINC000858602803 732230934 /nfs/dbraw/zinc/23/09/34/732230934.db2.gz JLRMQYQCWIPNNO-OTYXRUKQSA-N 1 1 371.250 3.098 20 10 FGCDMO Oc1cccc(Br)c1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000862217980 732787742 /nfs/dbraw/zinc/78/77/42/732787742.db2.gz ZYPOJSHQIDFQBI-UHFFFAOYSA-N 1 1 367.209 3.225 20 10 FGCDMO Oc1cccc(Br)c1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000862217980 732787744 /nfs/dbraw/zinc/78/77/44/732787744.db2.gz ZYPOJSHQIDFQBI-UHFFFAOYSA-N 1 1 367.209 3.225 20 10 FGCDMO CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862249807 732798550 /nfs/dbraw/zinc/79/85/50/732798550.db2.gz DCLISFNGVJSBOK-CQSZACIVSA-N 1 1 371.319 3.087 20 10 FGCDMO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862249807 732798553 /nfs/dbraw/zinc/79/85/53/732798553.db2.gz DCLISFNGVJSBOK-CQSZACIVSA-N 1 1 371.319 3.087 20 10 FGCDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1F ZINC000862382945 732820733 /nfs/dbraw/zinc/82/07/33/732820733.db2.gz FBIYHMIZGZYAKA-CYBMUJFWSA-N 1 1 353.457 3.144 20 10 FGCDMO Oc1cccc(Br)c1C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000862385909 732821433 /nfs/dbraw/zinc/82/14/33/732821433.db2.gz FZLDTYSMPFALON-UHFFFAOYSA-N 1 1 366.234 3.011 20 10 FGCDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)Cc2ccccc21 ZINC000862538052 732845925 /nfs/dbraw/zinc/84/59/25/732845925.db2.gz LSOQUGOUQQRNIO-MRXNPFEDSA-N 1 1 361.825 3.327 20 10 FGCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)Cc2ccccc21 ZINC000862538052 732845931 /nfs/dbraw/zinc/84/59/31/732845931.db2.gz LSOQUGOUQQRNIO-MRXNPFEDSA-N 1 1 361.825 3.327 20 10 FGCDMO C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1c(O)cccc1F ZINC000886509057 739263578 /nfs/dbraw/zinc/26/35/78/739263578.db2.gz YYJQFYNEFAYAFF-CQSZACIVSA-N 1 1 351.443 3.187 20 10 FGCDMO O=C(CC1CCCC1)NC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894017388 742227358 /nfs/dbraw/zinc/22/73/58/742227358.db2.gz OGDPIEYRJQHHHN-UHFFFAOYSA-N 1 1 352.425 3.331 20 10 FGCDMO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897614040 742695522 /nfs/dbraw/zinc/69/55/22/742695522.db2.gz LZGMASKWAMAUNI-SECBINFHSA-N 1 1 359.298 3.469 20 10 FGCDMO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897614040 742695524 /nfs/dbraw/zinc/69/55/24/742695524.db2.gz LZGMASKWAMAUNI-SECBINFHSA-N 1 1 359.298 3.469 20 10 FGCDMO Cc1cc(CC(=O)N2CCC[N@H+](C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000916741585 758124613 /nfs/dbraw/zinc/12/46/13/758124613.db2.gz KHYGRRITIUGFPR-UHFFFAOYSA-N 1 1 359.901 3.454 20 10 FGCDMO CC(C)[N@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000917074769 758174296 /nfs/dbraw/zinc/17/42/96/758174296.db2.gz FZHLESWZOATUGH-UHFFFAOYSA-N 1 1 360.523 3.437 20 10 FGCDMO CC(C)[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000917074769 758174304 /nfs/dbraw/zinc/17/43/04/758174304.db2.gz FZHLESWZOATUGH-UHFFFAOYSA-N 1 1 360.523 3.437 20 10 FGCDMO CC[N@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917594617 758245979 /nfs/dbraw/zinc/24/59/79/758245979.db2.gz FZCOWWPOKDKTTN-LJQANCHMSA-N 1 1 360.571 3.076 20 10 FGCDMO C[NH+]1CCN(c2ccc(CN[C@H]3CCc4c3nccc4Cl)cc2)CC1 ZINC000926855225 759832584 /nfs/dbraw/zinc/83/25/84/759832584.db2.gz SGILDBKRHIGJTA-IBGZPJMESA-N 1 1 356.901 3.264 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc21 ZINC000573619436 505579908 /nfs/dbraw/zinc/57/99/08/505579908.db2.gz HDCOZOQSMDBPTC-OAHLLOKOSA-N 1 1 359.514 3.363 20 10 FGCDMO CCOc1ccc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000109773206 494916688 /nfs/dbraw/zinc/91/66/88/494916688.db2.gz LINHFRKLPZPKBI-OAHLLOKOSA-N 1 1 372.465 3.109 20 10 FGCDMO Nc1nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc2ccccc12 ZINC000181461084 496406482 /nfs/dbraw/zinc/40/64/82/496406482.db2.gz NFMQNBWJFLAPOC-INIZCTEOSA-N 1 1 364.449 3.099 20 10 FGCDMO Nc1nc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nc2ccccc12 ZINC000181461084 496406485 /nfs/dbraw/zinc/40/64/85/496406485.db2.gz NFMQNBWJFLAPOC-INIZCTEOSA-N 1 1 364.449 3.099 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)c(F)c1[O-] ZINC000187911366 496617135 /nfs/dbraw/zinc/61/71/35/496617135.db2.gz UHRYWNNNPMWAAL-CJNGLKHVSA-N 1 1 362.420 3.088 20 10 FGCDMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000179162569 496697372 /nfs/dbraw/zinc/69/73/72/496697372.db2.gz BNLCHIFMWCXGBE-FQEVSTJZSA-N 1 1 354.498 3.189 20 10 FGCDMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000179162569 496697373 /nfs/dbraw/zinc/69/73/73/496697373.db2.gz BNLCHIFMWCXGBE-FQEVSTJZSA-N 1 1 354.498 3.189 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c1 ZINC000273446130 496808571 /nfs/dbraw/zinc/80/85/71/496808571.db2.gz ZZMLVNMEHBLMOL-CQSZACIVSA-N 1 1 355.438 3.025 20 10 FGCDMO CC(C)[N@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(N(C)C)cc1 ZINC000273553856 496837889 /nfs/dbraw/zinc/83/78/89/496837889.db2.gz VIZWSFFYRPCVQY-UHFFFAOYSA-N 1 1 364.497 3.198 20 10 FGCDMO CC(C)[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(N(C)C)cc1 ZINC000273553856 496837894 /nfs/dbraw/zinc/83/78/94/496837894.db2.gz VIZWSFFYRPCVQY-UHFFFAOYSA-N 1 1 364.497 3.198 20 10 FGCDMO COc1c([O-])c(C[N@H+]2CC[C@H](COCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278229774 497044212 /nfs/dbraw/zinc/04/42/12/497044212.db2.gz MRVKJWQTCXKBMH-INIZCTEOSA-N 1 1 372.421 3.348 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278229774 497044217 /nfs/dbraw/zinc/04/42/17/497044217.db2.gz MRVKJWQTCXKBMH-INIZCTEOSA-N 1 1 372.421 3.348 20 10 FGCDMO COc1c(O)c(C[N@H+]2CC[C@H](COCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278229774 497044224 /nfs/dbraw/zinc/04/42/24/497044224.db2.gz MRVKJWQTCXKBMH-INIZCTEOSA-N 1 1 372.421 3.348 20 10 FGCDMO O=C(c1cccc(O)c1O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248713397 497085333 /nfs/dbraw/zinc/08/53/33/497085333.db2.gz DHZNQJXGUNIKLC-PKOBYXMFSA-N 1 1 366.461 3.225 20 10 FGCDMO COc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C2CC2)ccc1O ZINC000278506036 497137565 /nfs/dbraw/zinc/13/75/65/497137565.db2.gz OXNQAUPUARPTDU-UHFFFAOYSA-N 1 1 374.393 3.188 20 10 FGCDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3ccc(N(C)C)c(F)c3)n2)c1 ZINC000278788402 497220628 /nfs/dbraw/zinc/22/06/28/497220628.db2.gz QFZMIVHOPKNBRW-CYBMUJFWSA-N 1 1 354.433 3.231 20 10 FGCDMO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)[nH]1 ZINC000271581091 497389579 /nfs/dbraw/zinc/38/95/79/497389579.db2.gz WZRGIOHHUCCDKW-KBPBESRZSA-N 1 1 361.465 3.316 20 10 FGCDMO CC[C@H]([NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)c1nccn1C ZINC000271670245 497414436 /nfs/dbraw/zinc/41/44/36/497414436.db2.gz GKNYOTNEFLQESZ-MPGHIAIKSA-N 1 1 360.477 3.414 20 10 FGCDMO Cc1[nH+]ccn1CCCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000266791630 497420746 /nfs/dbraw/zinc/42/07/46/497420746.db2.gz LNJODMDNULNYDI-UHFFFAOYSA-N 1 1 369.513 3.412 20 10 FGCDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(F)ccc(O)c1O ZINC000276670263 497624746 /nfs/dbraw/zinc/62/47/46/497624746.db2.gz ZAFWQCXJLHWXHJ-INIZCTEOSA-N 1 1 372.440 3.221 20 10 FGCDMO COC(=O)[C@H](C)[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CCC1 ZINC000295902569 497848150 /nfs/dbraw/zinc/84/81/50/497848150.db2.gz FEYMGKSEQOZBGB-INIZCTEOSA-N 1 1 360.498 3.218 20 10 FGCDMO COC(=O)[C@H](C)[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C1CCC1 ZINC000295902569 497848154 /nfs/dbraw/zinc/84/81/54/497848154.db2.gz FEYMGKSEQOZBGB-INIZCTEOSA-N 1 1 360.498 3.218 20 10 FGCDMO CCC[N@@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1ccccc1O ZINC000299655783 497883895 /nfs/dbraw/zinc/88/38/95/497883895.db2.gz PFVTUSHTYJMOQY-UHFFFAOYSA-N 1 1 358.438 3.260 20 10 FGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)COCC(F)(F)F ZINC000292494489 498036316 /nfs/dbraw/zinc/03/63/16/498036316.db2.gz BRSZGCIHSPRQKL-QGZVFWFLSA-N 1 1 360.420 3.049 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cnc(OC)c(Cl)c2)c1 ZINC000296425335 498039300 /nfs/dbraw/zinc/03/93/00/498039300.db2.gz LPPZJENWEUANLZ-JTQLQIEISA-N 1 1 350.802 3.087 20 10 FGCDMO CN(C)c1ccc(CN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)cc1 ZINC000364745619 498125859 /nfs/dbraw/zinc/12/58/59/498125859.db2.gz ZAKNVAUGPIJVPQ-PRJVBOEPSA-N 1 1 370.541 3.299 20 10 FGCDMO OC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC[C@@H]1C(F)(F)F ZINC000289589252 498207837 /nfs/dbraw/zinc/20/78/37/498207837.db2.gz KJZVQRLGQQMHCP-JQWIXIFHSA-N 1 1 368.193 3.147 20 10 FGCDMO CC[C@@H]([NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1O ZINC000285973400 498257514 /nfs/dbraw/zinc/25/75/14/498257514.db2.gz HFZJKDNIAXWOKZ-SJKOYZFVSA-N 1 1 366.458 3.241 20 10 FGCDMO CCn1cnnc1[C@@H]1C[N@H+]([C@H](C)c2ccc3ccccc3c2O)CCO1 ZINC000365525683 498513033 /nfs/dbraw/zinc/51/30/33/498513033.db2.gz CWPKKLMKOUOQTH-KDOFPFPSSA-N 1 1 352.438 3.291 20 10 FGCDMO O=S(=O)(CCC[NH2+]Cc1cccc(F)c1O)c1ccc(Cl)cc1 ZINC000294087079 498584660 /nfs/dbraw/zinc/58/46/60/498584660.db2.gz RHHRDJUGPZCXJK-UHFFFAOYSA-N 1 1 357.834 3.138 20 10 FGCDMO COc1ccc(N2CCC([N@H+](C)Cc3ncc([C@@H](C)O)s3)CC2)cc1 ZINC000366005519 498727714 /nfs/dbraw/zinc/72/77/14/498727714.db2.gz OKBMOJUVJCKYQZ-CQSZACIVSA-N 1 1 361.511 3.306 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)Cc3ncc([C@@H](C)O)s3)CC2)cc1 ZINC000366005519 498727720 /nfs/dbraw/zinc/72/77/20/498727720.db2.gz OKBMOJUVJCKYQZ-CQSZACIVSA-N 1 1 361.511 3.306 20 10 FGCDMO [O-]c1cccc(Cl)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000294942286 498857235 /nfs/dbraw/zinc/85/72/35/498857235.db2.gz CSMSBVLWTVHKBW-KRWDZBQOSA-N 1 1 360.885 3.292 20 10 FGCDMO [O-]c1cccc(Cl)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000294942286 498857240 /nfs/dbraw/zinc/85/72/40/498857240.db2.gz CSMSBVLWTVHKBW-KRWDZBQOSA-N 1 1 360.885 3.292 20 10 FGCDMO CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000299114973 498968467 /nfs/dbraw/zinc/96/84/67/498968467.db2.gz SCLFDFPDIXBCSG-SFHVURJKSA-N 1 1 358.530 3.159 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(-c3ccncc3F)s2)c1 ZINC000366821972 499085678 /nfs/dbraw/zinc/08/56/78/499085678.db2.gz FNYIPDMWPYINCN-SNVBAGLBSA-N 1 1 360.414 3.304 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)CCC(=O)NC3CCCC3)CC2)cc1 ZINC000369816255 499133034 /nfs/dbraw/zinc/13/30/34/499133034.db2.gz QTNAOKRXMAHPJF-UHFFFAOYSA-N 1 1 359.514 3.045 20 10 FGCDMO C[N@H+](Cc1c(O)ccc(Cl)c1F)C1CCN(c2cnccn2)CC1 ZINC000370042842 499170160 /nfs/dbraw/zinc/17/01/60/499170160.db2.gz LRCTVLSRYJKIGO-UHFFFAOYSA-N 1 1 350.825 3.076 20 10 FGCDMO C[N@@H+](Cc1c(O)ccc(Cl)c1F)C1CCN(c2cnccn2)CC1 ZINC000370042842 499170161 /nfs/dbraw/zinc/17/01/61/499170161.db2.gz LRCTVLSRYJKIGO-UHFFFAOYSA-N 1 1 350.825 3.076 20 10 FGCDMO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000370365873 499213478 /nfs/dbraw/zinc/21/34/78/499213478.db2.gz HRDCKIIHZZBKHE-INIZCTEOSA-N 1 1 369.465 3.221 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC(Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000370692554 499244738 /nfs/dbraw/zinc/24/47/38/499244738.db2.gz SZYSNBNUVOZVKC-UHFFFAOYSA-N 1 1 357.410 3.159 20 10 FGCDMO CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)CC1 ZINC000371333915 499311801 /nfs/dbraw/zinc/31/18/01/499311801.db2.gz FMSBHTYFJQKOEW-IBGZPJMESA-N 1 1 353.510 3.146 20 10 FGCDMO CC(C)c1nc(CN2CCC[N@@H+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC000371379870 499317781 /nfs/dbraw/zinc/31/77/81/499317781.db2.gz PNLCWPHLJHCTNN-UHFFFAOYSA-N 1 1 364.877 3.260 20 10 FGCDMO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000369120572 499367632 /nfs/dbraw/zinc/36/76/32/499367632.db2.gz VQUJSMBWQNWRTQ-SJORKVTESA-N 1 1 362.493 3.098 20 10 FGCDMO COCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCCc2cccnc21 ZINC000372236064 499411743 /nfs/dbraw/zinc/41/17/43/499411743.db2.gz KYJICRRUGZEEPJ-QGZVFWFLSA-N 1 1 372.465 3.330 20 10 FGCDMO c1c2ccccc2nn1[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000378572551 499533111 /nfs/dbraw/zinc/53/31/11/499533111.db2.gz CJXPXIJJRFELHM-OAQYLSRUSA-N 1 1 362.477 3.320 20 10 FGCDMO CCn1cnnc1[C@H]1C[N@H+]([C@H](C)c2cc3c(cc2O)CCCC3)CCO1 ZINC000375752582 499551633 /nfs/dbraw/zinc/55/16/33/499551633.db2.gz BOSWSCVDHPFPTK-AUUYWEPGSA-N 1 1 356.470 3.017 20 10 FGCDMO Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H](C)c2ccc(F)cc2O)oc1C ZINC000377786817 499733226 /nfs/dbraw/zinc/73/32/26/499733226.db2.gz ULWWDJVZKTUQMM-KCXAZCMYSA-N 1 1 365.424 3.399 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CSC2(C)C)C1 ZINC000582499214 506258284 /nfs/dbraw/zinc/25/82/84/506258284.db2.gz NLZHTCSXEFVFTJ-LJQANCHMSA-N 1 1 371.550 3.418 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000472230053 502278628 /nfs/dbraw/zinc/27/86/28/502278628.db2.gz LPUOEVCKQHYKLH-WBVHZDCISA-N 1 1 354.498 3.255 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000473282221 502558119 /nfs/dbraw/zinc/55/81/19/502558119.db2.gz SOZCASLOHWKGNB-MRUHUIDDSA-N 1 1 371.525 3.237 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000473282221 502558125 /nfs/dbraw/zinc/55/81/25/502558125.db2.gz SOZCASLOHWKGNB-MRUHUIDDSA-N 1 1 371.525 3.237 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)ccc21 ZINC000518428233 503982049 /nfs/dbraw/zinc/98/20/49/503982049.db2.gz OPOOTOXPRRVOAV-LJQANCHMSA-N 1 1 369.509 3.213 20 10 FGCDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000736818513 599103980 /nfs/dbraw/zinc/10/39/80/599103980.db2.gz RTRBLAWXVXELGH-UHFFFAOYSA-N 1 1 362.481 3.489 20 10 FGCDMO O=C([O-])c1cc2ccccc2c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000740095555 600559779 /nfs/dbraw/zinc/55/97/79/600559779.db2.gz BJFZLMIECWXJHU-OAHLLOKOSA-N 1 1 354.450 3.161 20 10 FGCDMO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000093413769 700451133 /nfs/dbraw/zinc/45/11/33/700451133.db2.gz ZSMZBVKDYOTBQE-KRWDZBQOSA-N 1 1 352.544 3.322 20 10 FGCDMO CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000093413769 700451136 /nfs/dbraw/zinc/45/11/36/700451136.db2.gz ZSMZBVKDYOTBQE-KRWDZBQOSA-N 1 1 352.544 3.322 20 10 FGCDMO COc1cccc(C[N@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1O ZINC000093867715 700455407 /nfs/dbraw/zinc/45/54/07/700455407.db2.gz NTCJFSVWPJRFET-HNNXBMFYSA-N 1 1 350.459 3.232 20 10 FGCDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc(Br)ccc1O ZINC000093863644 700455592 /nfs/dbraw/zinc/45/55/92/700455592.db2.gz JJKLZABXEDJOSX-AWEZNQCLSA-N 1 1 350.260 3.398 20 10 FGCDMO CCC[N@@H+](CC(=O)Nc1nnc(CC(C)C)s1)Cc1ccccc1O ZINC000137009470 704866844 /nfs/dbraw/zinc/86/68/44/704866844.db2.gz CVUYQUQRPXRZRJ-UHFFFAOYSA-N 1 1 362.499 3.293 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000154905677 705054516 /nfs/dbraw/zinc/05/45/16/705054516.db2.gz RRJFIIKBWLMGDC-OAHLLOKOSA-N 1 1 350.459 3.280 20 10 FGCDMO Oc1ccc(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)cc1 ZINC000157879392 705166589 /nfs/dbraw/zinc/16/65/89/705166589.db2.gz AWVPWAHORXOSMK-UHFFFAOYSA-N 1 1 363.255 3.183 20 10 FGCDMO COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000160365073 705251201 /nfs/dbraw/zinc/25/12/01/705251201.db2.gz FEHNFUMGBAUOTK-OAHLLOKOSA-N 1 1 350.459 3.150 20 10 FGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC000164462575 705329116 /nfs/dbraw/zinc/32/91/16/705329116.db2.gz PXZVKBPNEOJWLV-HNNXBMFYSA-N 1 1 350.459 3.150 20 10 FGCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177084195 705605224 /nfs/dbraw/zinc/60/52/24/705605224.db2.gz QGOTUXVKEGWDAS-CQSZACIVSA-N 1 1 366.889 3.377 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCCO[C@@H]3CCC[C@@H]32)c1O ZINC000374254332 713908151 /nfs/dbraw/zinc/90/81/51/713908151.db2.gz LSJUCCYALWZEOL-UONOGXRCSA-N 1 1 356.260 3.307 20 10 FGCDMO C[C@@]1(C(N)=O)CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000794717032 723542479 /nfs/dbraw/zinc/54/24/79/723542479.db2.gz WNWZRKGOZBPFNQ-QGZVFWFLSA-N 1 1 363.255 3.005 20 10 FGCDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccc(O)c1 ZINC000780984774 724519077 /nfs/dbraw/zinc/51/90/77/724519077.db2.gz NVFZHDCKSYKBRZ-MRXNPFEDSA-N 1 1 360.841 3.146 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000781907363 724610392 /nfs/dbraw/zinc/61/03/92/724610392.db2.gz HFWGGKMHWWSNNE-OAHLLOKOSA-N 1 1 370.287 3.233 20 10 FGCDMO CC(=O)NC1CCC([NH2+]Cc2cc(C)cc(Br)c2O)CC1 ZINC000781918196 724612360 /nfs/dbraw/zinc/61/23/60/724612360.db2.gz SGSVWVXPTLBHJT-UHFFFAOYSA-N 1 1 355.276 3.000 20 10 FGCDMO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1nccs1 ZINC000727467319 722444837 /nfs/dbraw/zinc/44/48/37/722444837.db2.gz RNMLINBKTZTOHU-UHFFFAOYSA-N 1 1 357.401 3.288 20 10 FGCDMO CN(C)c1ccc(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1F ZINC000732278949 722483397 /nfs/dbraw/zinc/48/33/97/722483397.db2.gz GNCNTNZQCFGAGM-SFHVURJKSA-N 1 1 363.864 3.464 20 10 FGCDMO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756380441 722963690 /nfs/dbraw/zinc/96/36/90/722963690.db2.gz UXRAATPVUOJSKS-NSHDSACASA-N 1 1 350.365 3.106 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cccc(F)c3O)C[C@H]21 ZINC000757999608 722982717 /nfs/dbraw/zinc/98/27/17/722982717.db2.gz SYXOKMXWJUPKAE-JGGQBBKZSA-N 1 1 350.434 3.266 20 10 FGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@H]21 ZINC000757999608 722982718 /nfs/dbraw/zinc/98/27/18/722982718.db2.gz SYXOKMXWJUPKAE-JGGQBBKZSA-N 1 1 350.434 3.266 20 10 FGCDMO CCCCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000759048527 722998633 /nfs/dbraw/zinc/99/86/33/722998633.db2.gz KASJTBDXQAMORZ-INIZCTEOSA-N 1 1 374.934 3.120 20 10 FGCDMO CCCCCS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000759048527 722998634 /nfs/dbraw/zinc/99/86/34/722998634.db2.gz KASJTBDXQAMORZ-INIZCTEOSA-N 1 1 374.934 3.120 20 10 FGCDMO C[C@@H](CNC(=O)NCCCSc1nccs1)[N@H+]1CCCC[C@@H]1C ZINC000759560309 723009000 /nfs/dbraw/zinc/00/90/00/723009000.db2.gz FJEPIAYSUOSMTB-KBPBESRZSA-N 1 1 356.561 3.187 20 10 FGCDMO COc1ccc(O)c(C[N@@H+](CCO)Cc2ccc(Br)s2)c1 ZINC000792197076 723320649 /nfs/dbraw/zinc/32/06/49/723320649.db2.gz UUZCTODEAQFZEW-UHFFFAOYSA-N 1 1 372.284 3.219 20 10 FGCDMO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000763384709 723339536 /nfs/dbraw/zinc/33/95/36/723339536.db2.gz SZFIMXMZKNZDLJ-ZDUSSCGKSA-N 1 1 363.479 3.026 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)c1 ZINC000765812965 723542562 /nfs/dbraw/zinc/54/25/62/723542562.db2.gz CDAUTSDPQRSISU-HXPMCKFVSA-N 1 1 363.841 3.391 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](c2nncn2C)C(C)C)c1 ZINC000796453857 723638361 /nfs/dbraw/zinc/63/83/61/723638361.db2.gz NERIXEVTIAGMDY-ZDUSSCGKSA-N 1 1 353.264 3.079 20 10 FGCDMO C[N@@H+](Cc1cccc(Br)c1O)C[C@H]1COc2ccccc2O1 ZINC000768181506 723649467 /nfs/dbraw/zinc/64/94/67/723649467.db2.gz PGHTZZWJYTZKON-ZDUSSCGKSA-N 1 1 364.239 3.427 20 10 FGCDMO C[N@H+](Cc1cccc(Br)c1O)C[C@H]1COc2ccccc2O1 ZINC000768181506 723649469 /nfs/dbraw/zinc/64/94/69/723649469.db2.gz PGHTZZWJYTZKON-ZDUSSCGKSA-N 1 1 364.239 3.427 20 10 FGCDMO C[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1COc2ccccc2O1 ZINC000768182206 723649511 /nfs/dbraw/zinc/64/95/11/723649511.db2.gz WOSVGOJOGGXZPH-CQSZACIVSA-N 1 1 364.239 3.427 20 10 FGCDMO COc1cc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(O)cc1C ZINC000768443607 723657789 /nfs/dbraw/zinc/65/77/89/723657789.db2.gz HMRKGJUPPNCQGO-AWEZNQCLSA-N 1 1 350.459 3.056 20 10 FGCDMO CCOc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000769149261 723678004 /nfs/dbraw/zinc/67/80/04/723678004.db2.gz ZSXYVWZFWNZHSV-CQSZACIVSA-N 1 1 350.459 3.232 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000769149261 723678005 /nfs/dbraw/zinc/67/80/05/723678005.db2.gz ZSXYVWZFWNZHSV-CQSZACIVSA-N 1 1 350.459 3.232 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769424050 723685249 /nfs/dbraw/zinc/68/52/49/723685249.db2.gz QOUKIMDLUWZQEA-DZGCQCFKSA-N 1 1 350.459 3.136 20 10 FGCDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000769513596 723688240 /nfs/dbraw/zinc/68/82/40/723688240.db2.gz CNNQLDFCBLRKFO-CQSZACIVSA-N 1 1 353.304 3.318 20 10 FGCDMO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000769513596 723688241 /nfs/dbraw/zinc/68/82/41/723688241.db2.gz CNNQLDFCBLRKFO-CQSZACIVSA-N 1 1 353.304 3.318 20 10 FGCDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000769513596 723688243 /nfs/dbraw/zinc/68/82/43/723688243.db2.gz CNNQLDFCBLRKFO-CQSZACIVSA-N 1 1 353.304 3.318 20 10 FGCDMO C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cc(Cl)c(Cl)cc1O ZINC000774140787 723862711 /nfs/dbraw/zinc/86/27/11/723862711.db2.gz FYTPIHOEEZSQER-VIFPVBQESA-N 1 1 369.314 3.068 20 10 FGCDMO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cccc(C(F)(F)F)c1O ZINC000798182426 723911249 /nfs/dbraw/zinc/91/12/49/723911249.db2.gz SXEGOKQUDGYOOM-JTQLQIEISA-N 1 1 353.406 3.275 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H](OC)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000775028595 723953751 /nfs/dbraw/zinc/95/37/51/723953751.db2.gz FECVHFIDVHRJRN-HNNXBMFYSA-N 1 1 366.801 3.440 20 10 FGCDMO COc1c(O)c(C[NH2+]CCOCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000775039977 723955274 /nfs/dbraw/zinc/95/52/74/723955274.db2.gz NZCMLRRSYGVWSD-UHFFFAOYSA-N 1 1 366.801 3.269 20 10 FGCDMO COCC[N@H+](Cc1cccs1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775644798 724014588 /nfs/dbraw/zinc/01/45/88/724014588.db2.gz VRVPNVXXOURRRP-UHFFFAOYSA-N 1 1 359.539 3.149 20 10 FGCDMO COCC[N@@H+](Cc1cccs1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775644798 724014591 /nfs/dbraw/zinc/01/45/91/724014591.db2.gz VRVPNVXXOURRRP-UHFFFAOYSA-N 1 1 359.539 3.149 20 10 FGCDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000786578081 724989605 /nfs/dbraw/zinc/98/96/05/724989605.db2.gz GPFZYUKQCVIQAY-GLQYFDAESA-N 1 1 368.271 3.237 20 10 FGCDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000786578081 724989608 /nfs/dbraw/zinc/98/96/08/724989608.db2.gz GPFZYUKQCVIQAY-GLQYFDAESA-N 1 1 368.271 3.237 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@@H](O)C[C@H]3C)c2C)c1 ZINC000788276254 725054172 /nfs/dbraw/zinc/05/41/72/725054172.db2.gz USEYPLDNCNKATF-DYVFJYSZSA-N 1 1 358.507 3.454 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3C[C@@H](O)C[C@H]3C)c2C)c1 ZINC000788276254 725054176 /nfs/dbraw/zinc/05/41/76/725054176.db2.gz USEYPLDNCNKATF-DYVFJYSZSA-N 1 1 358.507 3.454 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000806180336 725120068 /nfs/dbraw/zinc/12/00/68/725120068.db2.gz MSPBMLSXATUBLS-WFASDCNBSA-N 1 1 363.841 3.259 20 10 FGCDMO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(OC)ccc1O ZINC000809690918 725258958 /nfs/dbraw/zinc/25/89/58/725258958.db2.gz FQLGSVQOORXIKW-INIZCTEOSA-N 1 1 350.459 3.282 20 10 FGCDMO CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208026 725296812 /nfs/dbraw/zinc/29/68/12/725296812.db2.gz RLLLHMYNCJQEHB-INIZCTEOSA-N 1 1 359.436 3.089 20 10 FGCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCSC1 ZINC000810631468 725318699 /nfs/dbraw/zinc/31/86/99/725318699.db2.gz UYLNTVLRPPOMTQ-CJNGLKHVSA-N 1 1 368.930 3.269 20 10 FGCDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)c1 ZINC000811519563 725372305 /nfs/dbraw/zinc/37/23/05/725372305.db2.gz AVQKOKOAPMKIRL-HNNXBMFYSA-N 1 1 350.260 3.415 20 10 FGCDMO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000815615683 727086528 /nfs/dbraw/zinc/08/65/28/727086528.db2.gz VBFZHIGWLBEKTO-GHMZBOCLSA-N 1 1 351.390 3.029 20 10 FGCDMO C[N@@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000816511158 727169777 /nfs/dbraw/zinc/16/97/77/727169777.db2.gz PZDANWIRLHAGBY-OAHLLOKOSA-N 1 1 352.356 3.140 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCCN1 ZINC000817899399 727287446 /nfs/dbraw/zinc/28/74/46/727287446.db2.gz LMLVUBMZWHOHQS-RVKKMQEKSA-N 1 1 353.457 3.377 20 10 FGCDMO Cn1cc([C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CC23CCOCC3)cn1 ZINC000824716624 729356442 /nfs/dbraw/zinc/35/64/42/729356442.db2.gz XEGGRIGTEFITIO-QGZVFWFLSA-N 1 1 361.873 3.175 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000825124796 729371918 /nfs/dbraw/zinc/37/19/18/729371918.db2.gz YIHBNDXSISZVTK-ZANVPECISA-N 1 1 368.193 3.208 20 10 FGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000825124796 729371919 /nfs/dbraw/zinc/37/19/19/729371919.db2.gz YIHBNDXSISZVTK-ZANVPECISA-N 1 1 368.193 3.208 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC000825133481 729372271 /nfs/dbraw/zinc/37/22/71/729372271.db2.gz HGFYIGSMCXRFJM-MRXNPFEDSA-N 1 1 356.260 3.166 20 10 FGCDMO CC(=O)NC1CCC([N@H+](C)Cc2ccc(Br)cc2O)CC1 ZINC000825497515 729385386 /nfs/dbraw/zinc/38/53/86/729385386.db2.gz KFKRCYFAAMZMIF-UHFFFAOYSA-N 1 1 355.276 3.034 20 10 FGCDMO CC(=O)NC1CCC([N@@H+](C)Cc2ccc(Br)cc2O)CC1 ZINC000825497515 729385388 /nfs/dbraw/zinc/38/53/88/729385388.db2.gz KFKRCYFAAMZMIF-UHFFFAOYSA-N 1 1 355.276 3.034 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828987639 729450745 /nfs/dbraw/zinc/45/07/45/729450745.db2.gz IKCIFMKPCSXRLT-SJKOYZFVSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@@H](O)[C@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828987639 729450746 /nfs/dbraw/zinc/45/07/46/729450746.db2.gz IKCIFMKPCSXRLT-SJKOYZFVSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828987640 729450755 /nfs/dbraw/zinc/45/07/55/729450755.db2.gz IKCIFMKPCSXRLT-YVEFUNNKSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828987640 729450756 /nfs/dbraw/zinc/45/07/56/729450756.db2.gz IKCIFMKPCSXRLT-YVEFUNNKSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@@H](O)C2(C)C)c(C)n1-c1ccc(Cl)cn1 ZINC000829973745 729526885 /nfs/dbraw/zinc/52/68/85/729526885.db2.gz KSLIOUPTNUWZHO-QGZVFWFLSA-N 1 1 361.873 3.170 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@@H](O)C2(C)C)c(C)n1-c1ccc(Cl)cn1 ZINC000829973745 729526889 /nfs/dbraw/zinc/52/68/89/729526889.db2.gz KSLIOUPTNUWZHO-QGZVFWFLSA-N 1 1 361.873 3.170 20 10 FGCDMO CSC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830545029 729570137 /nfs/dbraw/zinc/57/01/37/729570137.db2.gz VXCVGKUTTKBZNX-AWEZNQCLSA-N 1 1 356.919 3.268 20 10 FGCDMO CSC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000830545029 729570142 /nfs/dbraw/zinc/57/01/42/729570142.db2.gz VXCVGKUTTKBZNX-AWEZNQCLSA-N 1 1 356.919 3.268 20 10 FGCDMO CN(C)c1ccc(/C=C\C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000835047385 729852886 /nfs/dbraw/zinc/85/28/86/729852886.db2.gz RSHTUVYLLMUOHX-WHXUGTBJSA-N 1 1 358.507 3.141 20 10 FGCDMO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCCO1 ZINC000835083211 729857602 /nfs/dbraw/zinc/85/76/02/729857602.db2.gz RTIAQFMORWKQTH-OAHLLOKOSA-N 1 1 370.877 3.161 20 10 FGCDMO CC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)NCc1cccs1 ZINC000842748583 730539022 /nfs/dbraw/zinc/53/90/22/730539022.db2.gz QTYDDSVMUOHMDG-CYBMUJFWSA-N 1 1 356.850 3.431 20 10 FGCDMO CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)C(=O)NCc1cccs1 ZINC000842911077 730555935 /nfs/dbraw/zinc/55/59/35/730555935.db2.gz WTNDPMBQSKZHMU-ZUZCIYMTSA-N 1 1 354.422 3.478 20 10 FGCDMO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)c1O ZINC000848527366 731175725 /nfs/dbraw/zinc/17/57/25/731175725.db2.gz AKIBVLWGSJPMQA-NEPJUHHUSA-N 1 1 357.292 3.156 20 10 FGCDMO CCc1cccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)c1O ZINC000848903622 731219057 /nfs/dbraw/zinc/21/90/57/731219057.db2.gz BILYQKGNPYJFLV-UHFFFAOYSA-N 1 1 372.416 3.147 20 10 FGCDMO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cc(Br)c(F)cc1O ZINC000850520438 731369040 /nfs/dbraw/zinc/36/90/40/731369040.db2.gz BJVXHGRHQIZOIM-MADCSZMMSA-N 1 1 354.166 3.369 20 10 FGCDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1=CC(=O)CS1 ZINC000856169958 731991042 /nfs/dbraw/zinc/99/10/42/731991042.db2.gz WGPCSNQBZSZTRA-MRXNPFEDSA-N 1 1 356.491 3.486 20 10 FGCDMO Oc1cccc(Br)c1C[NH2+]Cc1cccnc1OCC(F)F ZINC000858154319 732186740 /nfs/dbraw/zinc/18/67/40/732186740.db2.gz CZPSQPXPYMOOKY-UHFFFAOYSA-N 1 1 373.197 3.483 20 10 FGCDMO C[N@H+]1C[C@H](C(=O)NCCCSc2nccs2)[C@@H](c2ccccc2)C1 ZINC000859351257 732315646 /nfs/dbraw/zinc/31/56/46/732315646.db2.gz DZNUBFMNOFESSX-CVEARBPZSA-N 1 1 361.536 3.087 20 10 FGCDMO Cc1csc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)n1 ZINC000862221529 732788925 /nfs/dbraw/zinc/78/89/25/732788925.db2.gz XOPRAFXFIMQRHZ-UHFFFAOYSA-N 1 1 368.300 3.242 20 10 FGCDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862236723 732792618 /nfs/dbraw/zinc/79/26/18/732792618.db2.gz CDDMJRMAYCJYII-CYBMUJFWSA-N 1 1 369.303 3.139 20 10 FGCDMO O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883119252 737526360 /nfs/dbraw/zinc/52/63/60/737526360.db2.gz SOWLTUDOIXSVQW-UHFFFAOYSA-N 1 1 369.799 3.046 20 10 FGCDMO C[C@H](C[NH2+][C@@H](C)c1c(O)cccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000886646974 739278665 /nfs/dbraw/zinc/27/86/65/739278665.db2.gz ZLVQQAGYEHLKOF-OLZOCXBDSA-N 1 1 351.443 3.389 20 10 FGCDMO Cc1nc([C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3C(F)(F)F)C2)no1 ZINC000896232084 742517999 /nfs/dbraw/zinc/51/79/99/742517999.db2.gz GVKOFUFWJIZHFN-ZDUSSCGKSA-N 1 1 354.376 3.452 20 10 FGCDMO C[C@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1c(O)cccc1F ZINC000903425626 743849169 /nfs/dbraw/zinc/84/91/69/743849169.db2.gz LCRXVOFPSSYYNS-LBPRGKRZSA-N 1 1 364.442 3.286 20 10 FGCDMO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000922176434 758864491 /nfs/dbraw/zinc/86/44/91/758864491.db2.gz FIHCLGRACOGXHX-UHFFFAOYSA-N 1 1 370.831 3.030 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1c(O)cccc1F ZINC000926987124 759868795 /nfs/dbraw/zinc/86/87/95/759868795.db2.gz DUBQSZZBGBAYLP-SYQHCUMBSA-N 1 1 350.434 3.295 20 10 FGCDMO COC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(C)C ZINC000580276276 505720179 /nfs/dbraw/zinc/72/01/79/505720179.db2.gz LLJRVUBSRLEMCL-IBGZPJMESA-N 1 1 371.525 3.195 20 10 FGCDMO CC(=O)Nc1ccccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000121321986 494700789 /nfs/dbraw/zinc/70/07/89/494700789.db2.gz HOILVTVUVIMGHF-UHFFFAOYSA-N 1 1 353.466 3.114 20 10 FGCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000057280853 494703755 /nfs/dbraw/zinc/70/37/55/494703755.db2.gz QPUDXZWFQNVLJC-CTXDPNEZSA-N 1 1 358.530 3.157 20 10 FGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000092707398 494722333 /nfs/dbraw/zinc/72/23/33/494722333.db2.gz HTTRGYOUCSNKLB-ZDUSSCGKSA-N 1 1 369.303 3.283 20 10 FGCDMO CCOc1cccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000179939984 495793098 /nfs/dbraw/zinc/79/30/98/495793098.db2.gz FWYAPVCANDCPCJ-CQSZACIVSA-N 1 1 363.479 3.387 20 10 FGCDMO CCOc1cccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000179939984 495793103 /nfs/dbraw/zinc/79/31/03/495793103.db2.gz FWYAPVCANDCPCJ-CQSZACIVSA-N 1 1 363.479 3.387 20 10 FGCDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000155024976 495807121 /nfs/dbraw/zinc/80/71/21/495807121.db2.gz LDSVSWWZZPGXGD-UXHICEINSA-N 1 1 358.574 3.354 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000180000790 495817494 /nfs/dbraw/zinc/81/74/94/495817494.db2.gz PHQZOCHMBWJOKQ-UHFFFAOYSA-N 1 1 372.440 3.278 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1OC ZINC000160299985 495930226 /nfs/dbraw/zinc/93/02/26/495930226.db2.gz GDUVMVGBPPPQAY-QGZVFWFLSA-N 1 1 357.450 3.448 20 10 FGCDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181083765 496264111 /nfs/dbraw/zinc/26/41/11/496264111.db2.gz UONNHKVMILJLHL-MDVISLEMSA-N 1 1 358.482 3.224 20 10 FGCDMO CCC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1O ZINC000263904076 496759832 /nfs/dbraw/zinc/75/98/32/496759832.db2.gz DMHVZPMQHQKYFQ-UHFFFAOYSA-N 1 1 355.438 3.201 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000273429288 496803990 /nfs/dbraw/zinc/80/39/90/496803990.db2.gz VFHFGXSYVDZXNF-UONOGXRCSA-N 1 1 366.421 3.171 20 10 FGCDMO COCCOc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)cc1 ZINC000273442915 496807196 /nfs/dbraw/zinc/80/71/96/496807196.db2.gz ZBQXFSKLDKJCGZ-AWEZNQCLSA-N 1 1 359.422 3.055 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCCC3=O)cc2)c1 ZINC000273440172 496807257 /nfs/dbraw/zinc/80/72/57/496807257.db2.gz YFYGIUHPRSVFLI-AWEZNQCLSA-N 1 1 368.433 3.156 20 10 FGCDMO COC[C@H](C)OC[C@@H](O)C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000278430991 497111594 /nfs/dbraw/zinc/11/15/94/497111594.db2.gz UWQVSBCALNSACF-UEXGIBASSA-N 1 1 373.493 3.368 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000274593921 497128953 /nfs/dbraw/zinc/12/89/53/497128953.db2.gz ODMZHOYMWMGKSJ-OKSICCMJSA-N 1 1 370.449 3.055 20 10 FGCDMO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)CC2 ZINC000193019594 497276863 /nfs/dbraw/zinc/27/68/63/497276863.db2.gz COYDRTRDEBXBNF-VHSXEESVSA-N 1 1 371.268 3.103 20 10 FGCDMO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(Br)cc(C)c3O)[C@@H]2C1 ZINC000245945441 497580663 /nfs/dbraw/zinc/58/06/63/497580663.db2.gz VMUWOHAMHYOTQF-BZUAXINKSA-N 1 1 370.287 3.231 20 10 FGCDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(Br)cc(C)c3O)[C@@H]2C1 ZINC000245945441 497580671 /nfs/dbraw/zinc/58/06/71/497580671.db2.gz VMUWOHAMHYOTQF-BZUAXINKSA-N 1 1 370.287 3.231 20 10 FGCDMO CC[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(C)cc1O ZINC000280144723 497662767 /nfs/dbraw/zinc/66/27/67/497662767.db2.gz PXJPUDYETREKPR-IBGZPJMESA-N 1 1 354.498 3.088 20 10 FGCDMO C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000272744197 497718250 /nfs/dbraw/zinc/71/82/50/497718250.db2.gz DDTQYHGWNJNMKU-GOSISDBHSA-N 1 1 370.541 3.469 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1 ZINC000364411782 497944132 /nfs/dbraw/zinc/94/41/32/497944132.db2.gz CDBISTPQCSWAND-LSDHHAIUSA-N 1 1 355.438 3.208 20 10 FGCDMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cc(C)ccc2O)CC1 ZINC000292680035 498107695 /nfs/dbraw/zinc/10/76/95/498107695.db2.gz APZMUBQSJGVXAP-UHFFFAOYSA-N 1 1 359.495 3.170 20 10 FGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289537470 498185281 /nfs/dbraw/zinc/18/52/81/498185281.db2.gz HWFHLDWBBQUBLP-CYBMUJFWSA-N 1 1 368.193 3.434 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+](C)[C@@H](CO)c3ccccc3)cc2)CC1 ZINC000297138451 498330196 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362.495 3.350 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000245796106 713612032 /nfs/dbraw/zinc/61/20/32/713612032.db2.gz XABQPPYGDUZODB-RTBURBONSA-N 1 1 352.544 3.320 20 10 FGCDMO C[C@@H]([NH3+])c1nc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000327192472 713822050 /nfs/dbraw/zinc/82/20/50/713822050.db2.gz BHICLCCUIOYRIJ-CQSZACIVSA-N 1 1 358.511 3.425 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cc(Cl)c(Cl)cc1O ZINC000373925234 713884216 /nfs/dbraw/zinc/88/42/16/713884216.db2.gz WBUWFXQSDPWHJP-ZUZCIYMTSA-N 1 1 373.280 3.130 20 10 FGCDMO CN(CC[N@@H+](C)Cc1cc(Br)ccc1O)C(=O)OC(C)(C)C ZINC000779595960 724418942 /nfs/dbraw/zinc/41/89/42/724418942.db2.gz CATQQRUKRCXGAI-UHFFFAOYSA-N 1 1 373.291 3.453 20 10 FGCDMO CN(C)c1ccc(C[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C2CC2)cc1 ZINC000768256254 723651854 /nfs/dbraw/zinc/65/18/54/723651854.db2.gz AKFXNGNAMAUGHZ-UHFFFAOYSA-N 1 1 358.507 3.321 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C2CC2)cc1 ZINC000768256254 723651855 /nfs/dbraw/zinc/65/18/55/723651855.db2.gz AKFXNGNAMAUGHZ-UHFFFAOYSA-N 1 1 358.507 3.321 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]CCc2cnc(C3CC3)nc2)c1 ZINC000781636912 724581694 /nfs/dbraw/zinc/58/16/94/724581694.db2.gz UTIDWBQFGPASAG-UHFFFAOYSA-N 1 1 362.271 3.463 20 10 FGCDMO CCCNC(=O)C[N@H+](CCC)Cc1cc(C)cc(Br)c1O ZINC000781903039 724610156 /nfs/dbraw/zinc/61/01/56/724610156.db2.gz WKOYSNTZIBXROE-UHFFFAOYSA-N 1 1 357.292 3.201 20 10 FGCDMO CCCNC(=O)C[N@@H+](CCC)Cc1cc(C)cc(Br)c1O ZINC000781903039 724610159 /nfs/dbraw/zinc/61/01/59/724610159.db2.gz WKOYSNTZIBXROE-UHFFFAOYSA-N 1 1 357.292 3.201 20 10 FGCDMO CCCCCC[N@@H+](C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000731871058 722478826 /nfs/dbraw/zinc/47/88/26/722478826.db2.gz VQNUSEAMNVITPS-UHFFFAOYSA-N 1 1 363.571 3.368 20 10 FGCDMO CCc1cc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000740866316 722538714 /nfs/dbraw/zinc/53/87/14/722538714.db2.gz BLGSPDMBRYMUII-HNNXBMFYSA-N 1 1 353.528 3.119 20 10 FGCDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1=CC(=O)CS1 ZINC000753502118 722901794 /nfs/dbraw/zinc/90/17/94/722901794.db2.gz BLVQANMKRRHGJR-RYQLBKOJSA-N 1 1 356.491 3.484 20 10 FGCDMO OCC[C@H]1CSCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000753548550 722903787 /nfs/dbraw/zinc/90/37/87/722903787.db2.gz LXNYLJHFKVRAJJ-SFHVURJKSA-N 1 1 359.491 3.271 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cn3cc(Cl)ccc3n2)c1 ZINC000756391865 722963862 /nfs/dbraw/zinc/96/38/62/722963862.db2.gz HGOAQVSONALKTG-NSHDSACASA-N 1 1 359.813 3.331 20 10 FGCDMO COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756591365 722967332 /nfs/dbraw/zinc/96/73/32/722967332.db2.gz QZCZMAOOXMPNEG-BTDLBPIBSA-N 1 1 353.365 3.072 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2nc3c(s2)CCCC3)c1 ZINC000756703023 722968843 /nfs/dbraw/zinc/96/88/43/722968843.db2.gz DMGUHKTYWGZSNA-LBPRGKRZSA-N 1 1 360.479 3.407 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(F)c(F)c2)c1 ZINC000756707938 722968907 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FGCDMO O=C(CCc1ccco1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768910808 723671927 /nfs/dbraw/zinc/67/19/27/723671927.db2.gz ABYTYTNYBCGEIX-MRXNPFEDSA-N 1 1 362.857 3.352 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000769234024 723680164 /nfs/dbraw/zinc/68/01/64/723680164.db2.gz XLROHGNIBWGGPF-AWEZNQCLSA-N 1 1 350.459 3.232 20 10 FGCDMO CCC[C@@H]1CN(Cc2cccc(Br)c2O)CC[N@@H+]1CCOC ZINC000770284350 723710293 /nfs/dbraw/zinc/71/02/93/723710293.db2.gz OYSLRHBEDBIBFF-OAHLLOKOSA-N 1 1 371.319 3.087 20 10 FGCDMO CCC[C@@H]1CN(Cc2cccc(Br)c2O)CC[N@H+]1CCOC ZINC000770284350 723710294 /nfs/dbraw/zinc/71/02/94/723710294.db2.gz OYSLRHBEDBIBFF-OAHLLOKOSA-N 1 1 371.319 3.087 20 10 FGCDMO COCC[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774821657 723933069 /nfs/dbraw/zinc/93/30/69/723933069.db2.gz ULRJKDWLOUEUPL-UHFFFAOYSA-N 1 1 352.412 3.019 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c1O ZINC000775686332 724024635 /nfs/dbraw/zinc/02/46/35/724024635.db2.gz HVPBBXJNJBCRCN-OAHLLOKOSA-N 1 1 367.287 3.050 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1O ZINC000785988838 724953542 /nfs/dbraw/zinc/95/35/42/724953542.db2.gz PDOKXGWWNAHMRC-WDMOLILDSA-N 1 1 358.276 3.145 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000808454784 725202162 /nfs/dbraw/zinc/20/21/62/725202162.db2.gz SUECRUVDJDNZGC-RHSMWYFYSA-N 1 1 364.239 3.047 20 10 FGCDMO COc1cc(Br)cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000809767802 725266592 /nfs/dbraw/zinc/26/65/92/725266592.db2.gz UOESEPKYJPPDGZ-DOMZBBRYSA-N 1 1 369.303 3.079 20 10 FGCDMO COC[C@H](C)[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000812536055 725399679 /nfs/dbraw/zinc/39/96/79/725399679.db2.gz OXUAPZAJLGNUPS-JJRVBVJISA-N 1 1 368.905 3.045 20 10 FGCDMO CC(C)CN1CCO[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815553812 727083608 /nfs/dbraw/zinc/08/36/08/727083608.db2.gz KSUWHJYJBMVFTP-ZIAGYGMSSA-N 1 1 360.420 3.418 20 10 FGCDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824601632 729349607 /nfs/dbraw/zinc/34/96/07/729349607.db2.gz KYLZVUFLGOVMGA-LBPRGKRZSA-N 1 1 350.260 3.268 20 10 FGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1Cl ZINC000824632267 729351868 /nfs/dbraw/zinc/35/18/68/729351868.db2.gz BWFFXJSFLQSIQY-LBPRGKRZSA-N 1 1 368.886 3.194 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1F ZINC000824654668 729353165 /nfs/dbraw/zinc/35/31/65/729353165.db2.gz PPNHKMDEMGJIGC-QKLQHJQFSA-N 1 1 350.478 3.034 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000824690578 729355166 /nfs/dbraw/zinc/35/51/66/729355166.db2.gz HAOFQIHJLXNTRX-FQEVSTJZSA-N 1 1 360.885 3.342 20 10 FGCDMO COc1cccc(C[N@@H+](C)C2(CNC(=O)OC(C)(C)C)CCC2)c1O ZINC000824931775 729365574 /nfs/dbraw/zinc/36/55/74/729365574.db2.gz FXOMTSPANAQOKS-UHFFFAOYSA-N 1 1 350.459 3.280 20 10 FGCDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccc(Br)cc1O)C2 ZINC000825563499 729387862 /nfs/dbraw/zinc/38/78/62/729387862.db2.gz YLIGNQCOVPFPOR-GOSISDBHSA-N 1 1 373.250 3.251 20 10 FGCDMO CO[C@@]1(CO)CCC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000826952823 729419993 /nfs/dbraw/zinc/41/99/93/729419993.db2.gz UOHODFXXVFWFTJ-FQEVSTJZSA-N 1 1 360.523 3.358 20 10 FGCDMO C[C@@H]1C[C@H]([NH2+]Cc2nn(C)cc2Br)c2c1c(F)ccc2O ZINC000834884088 729842627 /nfs/dbraw/zinc/84/26/27/729842627.db2.gz JOXXHZIHOCZGCE-KCJUWKMLSA-N 1 1 354.223 3.365 20 10 FGCDMO O=C(NCCCSc1nccs1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000853855993 731763532 /nfs/dbraw/zinc/76/35/32/731763532.db2.gz NHYCVPJVMDOLIM-AWEZNQCLSA-N 1 1 368.572 3.332 20 10 FGCDMO CCCOCCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000859008054 732267857 /nfs/dbraw/zinc/26/78/57/732267857.db2.gz QFWNBHMRGAAMLD-MRXNPFEDSA-N 1 1 370.877 3.163 20 10 FGCDMO CC(=O)NC1CCC([N@@H+](C)Cc2c(O)cccc2Br)CC1 ZINC000862321938 732807729 /nfs/dbraw/zinc/80/77/29/732807729.db2.gz CNFKWQSCDSFKGO-UHFFFAOYSA-N 1 1 355.276 3.034 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@](C)(CO)c2cccc(O)c2)c1 ZINC000862432558 732834675 /nfs/dbraw/zinc/83/46/75/732834675.db2.gz IDCQOBPWEDSSKC-QGZVFWFLSA-N 1 1 366.255 3.166 20 10 FGCDMO Oc1c(F)cc(F)cc1C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000883037593 737514530 /nfs/dbraw/zinc/51/45/30/737514530.db2.gz DLJGXEDUDGSCLH-UHFFFAOYSA-N 1 1 359.275 3.290 20 10 FGCDMO CSc1ccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)o1 ZINC000883144013 737529195 /nfs/dbraw/zinc/52/91/95/737529195.db2.gz BOOXJEFEZACPHM-UHFFFAOYSA-N 1 1 354.422 3.406 20 10 FGCDMO COc1cc(C)cc(C[NH2+]Cc2cccc(Br)c2O)c1O ZINC000894570699 742300030 /nfs/dbraw/zinc/30/00/30/742300030.db2.gz FGLYLSIHTGXAJA-UHFFFAOYSA-N 1 1 352.228 3.467 20 10 FGCDMO C[C@H]1C[C@@H]([NH2+]Cc2ncc(Br)cn2)c2c1c(F)ccc2O ZINC000903321071 743837299 /nfs/dbraw/zinc/83/72/99/743837299.db2.gz WUNWCNFOMLJWPX-GZMMTYOYSA-N 1 1 352.207 3.422 20 10 FGCDMO Cn1nc(CNCc2cc(Br)cc(F)c2[O-])cc1C1CC1 ZINC000922956135 759039371 /nfs/dbraw/zinc/03/93/71/759039371.db2.gz PTSCDESSTPFBNK-UHFFFAOYSA-N 1 1 354.223 3.195 20 10 FGCDMO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000927040035 759881544 /nfs/dbraw/zinc/88/15/44/759881544.db2.gz SQZAOILVSLPNOW-OFLUOSHYSA-N 1 1 364.294 3.458 20 10 FGCDMO CC[C@@](C)([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000126760020 494833255 /nfs/dbraw/zinc/83/32/55/494833255.db2.gz UUEWZLYVZNFKOV-HXUWFJFHSA-N 1 1 374.554 3.391 20 10 FGCDMO COc1ccc(N2CCN(CCC[NH2+][C@H](C)c3nccs3)CC2)cc1 ZINC000093370514 494881620 /nfs/dbraw/zinc/88/16/20/494881620.db2.gz RAMIWXSIZIEAFV-MRXNPFEDSA-N 1 1 360.527 3.015 20 10 FGCDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)N1CCN(C)CC1 ZINC000127366817 494934724 /nfs/dbraw/zinc/93/47/24/494934724.db2.gz WJTBLYVPHOUPPN-ROUUACIJSA-N 1 1 362.537 3.103 20 10 FGCDMO COc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1O ZINC000124174328 495245797 /nfs/dbraw/zinc/24/57/97/495245797.db2.gz XXFIZJRFZAZMBL-MRXNPFEDSA-N 1 1 356.470 3.098 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000186520005 496029051 /nfs/dbraw/zinc/02/90/51/496029051.db2.gz BWAUEVFOWSDREB-KDOFPFPSSA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1[O-] ZINC000186520005 496029054 /nfs/dbraw/zinc/02/90/54/496029054.db2.gz BWAUEVFOWSDREB-KDOFPFPSSA-N 1 1 360.885 3.463 20 10 FGCDMO COc1cccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1O ZINC000180804360 496153373 /nfs/dbraw/zinc/15/33/73/496153373.db2.gz YNTSTZBKAKLYAY-CYBMUJFWSA-N 1 1 355.360 3.453 20 10 FGCDMO Cn1cc([C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)c2ccc(F)cc2)cn1 ZINC000187512349 496471692 /nfs/dbraw/zinc/47/16/92/496471692.db2.gz KLEKTFGOVTWFPG-NRFANRHFSA-N 1 1 350.441 3.431 20 10 FGCDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000178676635 496536860 /nfs/dbraw/zinc/53/68/60/496536860.db2.gz LUCIIBMNGZDNMS-NRFANRHFSA-N 1 1 366.509 3.252 20 10 FGCDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000178676635 496536867 /nfs/dbraw/zinc/53/68/67/496536867.db2.gz LUCIIBMNGZDNMS-NRFANRHFSA-N 1 1 366.509 3.252 20 10 FGCDMO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cc2c(cc1O)CCCC2 ZINC000273355810 496781678 /nfs/dbraw/zinc/78/16/78/496781678.db2.gz CQOLYMUDEMKHMK-JHVJFLLYSA-N 1 1 358.526 3.299 20 10 FGCDMO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(N4CCOCC4)c(F)c3)cn2c1 ZINC000268831672 496798196 /nfs/dbraw/zinc/79/81/96/496798196.db2.gz CEXZPTGURPQZJY-MRXNPFEDSA-N 1 1 368.456 3.469 20 10 FGCDMO Cn1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C(F)F)n1 ZINC000274524855 497117557 /nfs/dbraw/zinc/11/75/57/497117557.db2.gz ZKFBPGJANIIOEK-HNNXBMFYSA-N 1 1 351.397 3.245 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272555519 497661348 /nfs/dbraw/zinc/66/13/48/497661348.db2.gz ZHEMRKSWYNSLGW-OJYYBLKUSA-N 1 1 366.461 3.138 20 10 FGCDMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000191331195 497782803 /nfs/dbraw/zinc/78/28/03/497782803.db2.gz UAEOEHCWQLBNNK-LLVKDONJSA-N 1 1 350.825 3.102 20 10 FGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000191331195 497782812 /nfs/dbraw/zinc/78/28/12/497782812.db2.gz UAEOEHCWQLBNNK-LLVKDONJSA-N 1 1 350.825 3.102 20 10 FGCDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c2nccn21 ZINC000296164408 497941131 /nfs/dbraw/zinc/94/11/31/497941131.db2.gz XIQPBTNLKJUQLU-LUXYFRNMSA-N 1 1 358.461 3.431 20 10 FGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)c1O ZINC000296329324 498000471 /nfs/dbraw/zinc/00/04/71/498000471.db2.gz HEMDTLZMIWVSGG-SECBINFHSA-N 1 1 351.248 3.309 20 10 FGCDMO CN(C)c1ccc(C[NH2+]Cc2ncc(I)s2)cc1 ZINC000285582239 498137109 /nfs/dbraw/zinc/13/71/09/498137109.db2.gz XBQAOILUKTXHJS-UHFFFAOYSA-N 1 1 373.263 3.104 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)ccc1[N+](=O)[O-] ZINC000292850009 498169894 /nfs/dbraw/zinc/16/98/94/498169894.db2.gz TZLPHANFFUJABL-QLJPJBMISA-N 1 1 364.423 3.163 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000296887809 498237786 /nfs/dbraw/zinc/23/77/86/498237786.db2.gz QFIRFRIQZWGMKU-FQEVSTJZSA-N 1 1 355.507 3.097 20 10 FGCDMO CN(C)c1cc[nH+]c(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000301755377 498252468 /nfs/dbraw/zinc/25/24/68/498252468.db2.gz KJFZOYRKVHRGFV-ZDUSSCGKSA-N 1 1 363.412 3.225 20 10 FGCDMO CC[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccc(F)cc1O ZINC000286246427 498338170 /nfs/dbraw/zinc/33/81/70/498338170.db2.gz UFYCMWWMRFCENZ-KRWDZBQOSA-N 1 1 351.443 3.317 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc21 ZINC000362957907 498589142 /nfs/dbraw/zinc/58/91/42/498589142.db2.gz KWMBCUNEXGOIRR-RTBURBONSA-N 1 1 369.509 3.261 20 10 FGCDMO COC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000287398347 498741993 /nfs/dbraw/zinc/74/19/93/498741993.db2.gz IZCBOYDWDZDDQY-GFCCVEGCSA-N 1 1 358.394 3.208 20 10 FGCDMO COCCc1cc[nH+]c(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000287682985 498835880 /nfs/dbraw/zinc/83/58/80/498835880.db2.gz WIFLMGRMVTYJDH-HNNXBMFYSA-N 1 1 359.445 3.419 20 10 FGCDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)[C@H]1c1cccc(Cl)c1 ZINC000366332265 498877057 /nfs/dbraw/zinc/87/70/57/498877057.db2.gz YWWBJEAIWLFANX-OXJNMPFZSA-N 1 1 357.885 3.274 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1F ZINC000295125213 498918680 /nfs/dbraw/zinc/91/86/80/498918680.db2.gz XUYRVPOEORCCIE-SFHVURJKSA-N 1 1 372.488 3.021 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccc(F)cc1O ZINC000363851156 499023761 /nfs/dbraw/zinc/02/37/61/499023761.db2.gz HWHJCFMBFNLAHN-SWLSCSKDSA-N 1 1 360.433 3.107 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(F)cc1O ZINC000363858862 499027711 /nfs/dbraw/zinc/02/77/11/499027711.db2.gz RNHKJOFLPYLTCR-WMLDXEAASA-N 1 1 366.440 3.379 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCc2nnc(Cc3ccccc3)n2C1)c1ccc(F)cc1O ZINC000363858860 499028476 /nfs/dbraw/zinc/02/84/76/499028476.db2.gz RNHKJOFLPYLTCR-PBHICJAKSA-N 1 1 366.440 3.379 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)cc1 ZINC000295488219 499032000 /nfs/dbraw/zinc/03/20/00/499032000.db2.gz SORXKWCJTNTCSD-UHFFFAOYSA-N 1 1 366.490 3.026 20 10 FGCDMO CN1CCc2cc(C[NH2+]Cc3c(Cl)n(C)nc3C(F)(F)F)ccc21 ZINC000369804065 499131278 /nfs/dbraw/zinc/13/12/78/499131278.db2.gz DVPJIFZQUVRNEM-UHFFFAOYSA-N 1 1 358.795 3.374 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000371332535 499311752 /nfs/dbraw/zinc/31/17/52/499311752.db2.gz QHWUTXDIMHFRBD-NWDGAFQWSA-N 1 1 356.260 3.022 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCc4[nH]cnc4C3)cc2)CC1 ZINC000368628398 499315360 /nfs/dbraw/zinc/31/53/60/499315360.db2.gz NIMNPSMLPVHRMQ-QGZVFWFLSA-N 1 1 367.497 3.003 20 10 FGCDMO COc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3nc(C)cs3)C2)c1O ZINC000371395662 499320559 /nfs/dbraw/zinc/32/05/59/499320559.db2.gz JAPPFIJKFAQPPY-CQSZACIVSA-N 1 1 361.467 3.016 20 10 FGCDMO COc1ccc([C@@H](O)[C@@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2O)cc1 ZINC000371422277 499324984 /nfs/dbraw/zinc/32/49/84/499324984.db2.gz DZYQMOHWGNSAEF-LAUBAEHRSA-N 1 1 373.449 3.116 20 10 FGCDMO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000369120570 499367667 /nfs/dbraw/zinc/36/76/67/499367667.db2.gz VQUJSMBWQNWRTQ-IAGOWNOFSA-N 1 1 362.493 3.098 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 ZINC000377699470 499722228 /nfs/dbraw/zinc/72/22/28/499722228.db2.gz MNJXWXKHESFXBH-CKJXQJPGSA-N 1 1 372.513 3.210 20 10 FGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)c1O ZINC000377803575 499736532 /nfs/dbraw/zinc/73/65/32/499736532.db2.gz YAUUTHMJZYMGMV-PWSUYJOCSA-N 1 1 350.260 3.394 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2ccc[nH]2)C1 ZINC000444307721 500832929 /nfs/dbraw/zinc/83/29/29/500832929.db2.gz ATBVNMOEJPJFRI-UHFFFAOYSA-N 1 1 364.493 3.095 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@]2(C)CCCO2)C1 ZINC000435821656 501033976 /nfs/dbraw/zinc/03/39/76/501033976.db2.gz GYFSRNKFIZAMFX-QFIPXVFZSA-N 1 1 369.509 3.093 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CC(C)(F)C2)C1 ZINC000452273182 501470201 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Cc1cc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)ccc1N1CCCCC1 ZINC000828564240 729445205 /nfs/dbraw/zinc/44/52/05/729445205.db2.gz OFTSOOVZCWJXDG-UHFFFAOYSA-N 1 1 352.544 3.240 20 10 FGCDMO Cc1cc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)ccc1N1CCCCC1 ZINC000828564240 729445206 /nfs/dbraw/zinc/44/52/06/729445206.db2.gz OFTSOOVZCWJXDG-UHFFFAOYSA-N 1 1 352.544 3.240 20 10 FGCDMO CC[C@@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc(F)cc1O ZINC000834824331 729837028 /nfs/dbraw/zinc/83/70/28/729837028.db2.gz ZWMWHDSSHARFBJ-DLTWYDFYSA-N 1 1 350.434 3.437 20 10 FGCDMO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000835047384 729852811 /nfs/dbraw/zinc/85/28/11/729852811.db2.gz RSHTUVYLLMUOHX-DUIUGDAFSA-N 1 1 358.507 3.141 20 10 FGCDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835052443 729853459 /nfs/dbraw/zinc/85/34/59/729853459.db2.gz OJTHGYHAFKEFRP-VGOKWCNXSA-N 1 1 356.388 3.193 20 10 FGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H]1CCC(=O)N1 ZINC000840977937 730200198 /nfs/dbraw/zinc/20/01/98/730200198.db2.gz YYHNCLLWFRRQRH-CQSZACIVSA-N 1 1 357.420 3.260 20 10 FGCDMO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc(N)cc1)c1ccccc1Cl ZINC000841641528 730261189 /nfs/dbraw/zinc/26/11/89/730261189.db2.gz WSJFYUQOYGQDOS-SFHVURJKSA-N 1 1 360.889 3.067 20 10 FGCDMO C[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)c1ccc(F)cc1O ZINC000842899094 730555026 /nfs/dbraw/zinc/55/50/26/730555026.db2.gz AFSVUEDWFQDTGN-CYBMUJFWSA-N 1 1 353.434 3.320 20 10 FGCDMO Oc1c(Br)cccc1CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000843118625 730588168 /nfs/dbraw/zinc/58/81/68/730588168.db2.gz OOAULYTWOASSAE-INIZCTEOSA-N 1 1 365.246 3.440 20 10 FGCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1O ZINC000843429681 730620209 /nfs/dbraw/zinc/62/02/09/730620209.db2.gz ZNRSLIZPWSSLHF-INIZCTEOSA-N 1 1 358.869 3.492 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000848519358 731174808 /nfs/dbraw/zinc/17/48/08/731174808.db2.gz RKMXCCCYIPXADO-YUTCNCBUSA-N 1 1 369.303 3.441 20 10 FGCDMO COc1cc(Br)cc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000848519358 731174812 /nfs/dbraw/zinc/17/48/12/731174812.db2.gz RKMXCCCYIPXADO-YUTCNCBUSA-N 1 1 369.303 3.441 20 10 FGCDMO COc1ccc(NC(=[NH2+])NCc2cccc(Br)c2O)cc1 ZINC000849105266 731229807 /nfs/dbraw/zinc/22/98/07/731229807.db2.gz IALAGNSBOUVFFD-UHFFFAOYSA-N 1 1 350.216 3.300 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)ccc1[O-] ZINC000850506862 731366257 /nfs/dbraw/zinc/36/62/57/731366257.db2.gz CJRHDBIKYFNIDE-KBXCAEBGSA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)ccc1[O-] ZINC000850506862 731366260 /nfs/dbraw/zinc/36/62/60/731366260.db2.gz CJRHDBIKYFNIDE-KBXCAEBGSA-N 1 1 360.885 3.463 20 10 FGCDMO O=C(NCCCSc1nccs1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853859755 731763773 /nfs/dbraw/zinc/76/37/73/731763773.db2.gz XNVBVDWJIXNGDQ-HNNXBMFYSA-N 1 1 368.572 3.047 20 10 FGCDMO Fc1cc(C[NH2+][C@@H]2CCCc3scnc32)cc(F)c1N1CCOCC1 ZINC000858425460 732213814 /nfs/dbraw/zinc/21/38/14/732213814.db2.gz GFILWBTVEYLCGR-OAHLLOKOSA-N 1 1 365.449 3.425 20 10 FGCDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862237582 732793665 /nfs/dbraw/zinc/79/36/65/732793665.db2.gz SXAFGSJZNNYMQL-ZDUSSCGKSA-N 1 1 369.303 3.283 20 10 FGCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)C3CC(F)(F)C3)cc2F)CC1 ZINC000862277584 732803262 /nfs/dbraw/zinc/80/32/62/732803262.db2.gz GKXQKUUOEPFAFV-CQSZACIVSA-N 1 1 355.448 3.491 20 10 FGCDMO CN(C)c1cc(F)c(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1F ZINC000862302898 732807166 /nfs/dbraw/zinc/80/71/66/732807166.db2.gz FGFJDTAKTVOCDS-BXKMTCNYSA-N 1 1 352.450 3.240 20 10 FGCDMO CC1([C@H]2CCC[N@@H+](Cc3c(O)cccc3Br)C2)OCCO1 ZINC000862322514 732807528 /nfs/dbraw/zinc/80/75/28/732807528.db2.gz MTZXRHNMVOWDJL-LBPRGKRZSA-N 1 1 356.260 3.130 20 10 FGCDMO COC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)Cc2ccccc21 ZINC000862538051 732845797 /nfs/dbraw/zinc/84/57/97/732845797.db2.gz LSOQUGOUQQRNIO-INIZCTEOSA-N 1 1 361.825 3.327 20 10 FGCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)Cc2ccccc21 ZINC000862538051 732845803 /nfs/dbraw/zinc/84/58/03/732845803.db2.gz LSOQUGOUQQRNIO-INIZCTEOSA-N 1 1 361.825 3.327 20 10 FGCDMO COc1ccc(N2CC[NH+](Cc3ccc(C(F)F)nc3)CC2)cc1F ZINC000876807019 736147278 /nfs/dbraw/zinc/14/72/78/736147278.db2.gz WWWCEIDOJCMPLJ-UHFFFAOYSA-N 1 1 351.372 3.489 20 10 FGCDMO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000878241101 736793921 /nfs/dbraw/zinc/79/39/21/736793921.db2.gz BMSFOPPDPOWLRN-LBPRGKRZSA-N 1 1 362.451 3.008 20 10 FGCDMO Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000882979507 737508601 /nfs/dbraw/zinc/50/86/01/737508601.db2.gz BVNQUZVPIQUHOY-SNVBAGLBSA-N 1 1 356.239 3.225 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1c(O)cccc1F ZINC000886520398 739264717 /nfs/dbraw/zinc/26/47/17/739264717.db2.gz DAAUAUNHQMAHGX-QWHCGFSZSA-N 1 1 366.458 3.193 20 10 FGCDMO C[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)c1c(O)cccc1F ZINC000886629701 739277174 /nfs/dbraw/zinc/27/71/74/739277174.db2.gz LTPBDVDWGFBWOQ-ZDUSSCGKSA-N 1 1 353.434 3.320 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1O ZINC000895847879 742462693 /nfs/dbraw/zinc/46/26/93/742462693.db2.gz WWBIOKYRBYGRGX-SMDDNHRTSA-N 1 1 356.260 3.164 20 10 FGCDMO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3C(F)(F)F)C2)no1 ZINC000896232083 742518012 /nfs/dbraw/zinc/51/80/12/742518012.db2.gz GVKOFUFWJIZHFN-CYBMUJFWSA-N 1 1 354.376 3.452 20 10 FGCDMO CC[N@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917592985 758246032 /nfs/dbraw/zinc/24/60/32/758246032.db2.gz AJQPZCPNCPYXEY-LJQANCHMSA-N 1 1 362.587 3.322 20 10 FGCDMO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000926956665 759859677 /nfs/dbraw/zinc/85/96/77/759859677.db2.gz YGEBJXYLDUTQFP-SNVBAGLBSA-N 1 1 353.406 3.132 20 10 FGCDMO C[C@H]([NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1c(O)cccc1F ZINC000926987131 759868568 /nfs/dbraw/zinc/86/85/68/759868568.db2.gz DUBQSZZBGBAYLP-XDQVBPFNSA-N 1 1 350.434 3.295 20 10 FGCDMO C[C@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000927106003 759892554 /nfs/dbraw/zinc/89/25/54/759892554.db2.gz NQXSHBYWQOHUBA-JSGCOSHPSA-N 1 1 358.404 3.315 20 10 FGCDMO C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000077817302 494185739 /nfs/dbraw/zinc/18/57/39/494185739.db2.gz BLYWEJTXCZPCGL-XGBCSFPLSA-N 1 1 365.437 3.108 20 10 FGCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000074792761 494603043 /nfs/dbraw/zinc/60/30/43/494603043.db2.gz NYCAEYKWBSJWKM-CTXDPNEZSA-N 1 1 358.530 3.299 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1O ZINC000091631586 494633969 /nfs/dbraw/zinc/63/39/69/494633969.db2.gz AEZSECKXJDDBJS-ZDUSSCGKSA-N 1 1 358.417 3.040 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000092012275 494754621 /nfs/dbraw/zinc/75/46/21/494754621.db2.gz CTUMEXXLTHHVCX-QUCCMNQESA-N 1 1 356.514 3.212 20 10 FGCDMO COc1cccc(C[N@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)c1O ZINC000129054546 495189298 /nfs/dbraw/zinc/18/92/98/495189298.db2.gz BWGCFEVGRDMZSF-UHFFFAOYSA-N 1 1 354.450 3.057 20 10 FGCDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C)c(O)c1O ZINC000179529611 495629186 /nfs/dbraw/zinc/62/91/86/495629186.db2.gz ZWAQSCNLXSYYFA-SFHVURJKSA-N 1 1 368.477 3.390 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CCCO1 ZINC000160198243 495907070 /nfs/dbraw/zinc/90/70/70/495907070.db2.gz UOOWEKGMPXYOOF-LJQANCHMSA-N 1 1 364.449 3.359 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1OC ZINC000160481923 495972716 /nfs/dbraw/zinc/97/27/16/495972716.db2.gz OYOFHGFVAFXFDU-OAQYLSRUSA-N 1 1 355.434 3.083 20 10 FGCDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183467659 495996634 /nfs/dbraw/zinc/99/66/34/495996634.db2.gz IKHSIRHXQSQBEQ-QFBILLFUSA-N 1 1 368.477 3.057 20 10 FGCDMO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC[N@H+]1Cc1ccccc1 ZINC000180848247 496170094 /nfs/dbraw/zinc/17/00/94/496170094.db2.gz DLOKMMJPZIAAPW-ACMHHVSHSA-N 1 1 366.461 3.280 20 10 FGCDMO CC[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(N(C)C)cc1 ZINC000156837955 496345662 /nfs/dbraw/zinc/34/56/62/496345662.db2.gz LTFKVHLPAWQGIE-UHFFFAOYSA-N 1 1 360.527 3.068 20 10 FGCDMO CC[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000158483922 496711477 /nfs/dbraw/zinc/71/14/77/496711477.db2.gz OPEIWXUXGBHPMS-OAQYLSRUSA-N 1 1 367.541 3.140 20 10 FGCDMO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@@](=O)C1 ZINC000277402641 496762347 /nfs/dbraw/zinc/76/23/47/496762347.db2.gz HWHQZOKIVIZJPY-IVCQMTBJSA-N 1 1 359.491 3.172 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@@](=O)C1 ZINC000277402641 496762350 /nfs/dbraw/zinc/76/23/50/496762350.db2.gz HWHQZOKIVIZJPY-IVCQMTBJSA-N 1 1 359.491 3.172 20 10 FGCDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c(O)c1C ZINC000273393168 496793793 /nfs/dbraw/zinc/79/37/93/496793793.db2.gz LIKIEZSFZMDXAK-QGZVFWFLSA-N 1 1 354.498 3.007 20 10 FGCDMO COCCOc1ccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)cc1 ZINC000273442916 496807508 /nfs/dbraw/zinc/80/75/08/496807508.db2.gz ZBQXFSKLDKJCGZ-CQSZACIVSA-N 1 1 359.422 3.055 20 10 FGCDMO Cc1ccn2cc(C[NH2+][C@@H](C)c3ccc(N4CCOCC4)c(F)c3)nc2c1 ZINC000268949008 496832077 /nfs/dbraw/zinc/83/20/77/496832077.db2.gz XESFULUVQYVRNT-INIZCTEOSA-N 1 1 368.456 3.469 20 10 FGCDMO C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@@]1=O ZINC000277699373 496857959 /nfs/dbraw/zinc/85/79/59/496857959.db2.gz RFJCIDVJCHXSDW-LMKMVOKYSA-N 1 1 359.491 3.314 20 10 FGCDMO C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[S@@]1=O ZINC000277699373 496857963 /nfs/dbraw/zinc/85/79/63/496857963.db2.gz RFJCIDVJCHXSDW-LMKMVOKYSA-N 1 1 359.491 3.314 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278475752 497127760 /nfs/dbraw/zinc/12/77/60/497127760.db2.gz IJTCMMHZNYZFGP-DOTOQJQBSA-N 1 1 358.394 3.319 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CCC(O)(c3cccnc3)CC2)c1 ZINC000274593927 497128861 /nfs/dbraw/zinc/12/88/61/497128861.db2.gz ODMZHOYMWMGKSJ-UAXOWTEWSA-N 1 1 370.449 3.055 20 10 FGCDMO COc1c(O)c(C[NH2+]Cc2ccc(OC3CCCC3)nc2)ccc1[N+](=O)[O-] ZINC000278568264 497154019 /nfs/dbraw/zinc/15/40/19/497154019.db2.gz CIOYNAMKWVRHFF-UHFFFAOYSA-N 1 1 373.409 3.315 20 10 FGCDMO FC(F)(F)c1cnc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000278690390 497190377 /nfs/dbraw/zinc/19/03/77/497190377.db2.gz PZLJTGYUAJIHSH-UHFFFAOYSA-N 1 1 357.401 3.288 20 10 FGCDMO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1nc(-c2cccc(F)c2)no1 ZINC000237382799 497228548 /nfs/dbraw/zinc/22/85/48/497228548.db2.gz QUJJFPGYRFPLSX-SNVBAGLBSA-N 1 1 357.341 3.161 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1[N+](=O)[O-] ZINC000278857144 497245215 /nfs/dbraw/zinc/24/52/15/497245215.db2.gz LNYQSRGYSHXQTP-LLVKDONJSA-N 1 1 371.393 3.045 20 10 FGCDMO COc1cccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000271179118 497282676 /nfs/dbraw/zinc/28/26/76/497282676.db2.gz LDXBHMAVQHZSSK-DZGCQCFKSA-N 1 1 350.459 3.136 20 10 FGCDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000271780124 497446574 /nfs/dbraw/zinc/44/65/74/497446574.db2.gz HLZFTCZKHPAGNZ-CYBMUJFWSA-N 1 1 374.403 3.024 20 10 FGCDMO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)sc1C ZINC000279599263 497483400 /nfs/dbraw/zinc/48/34/00/497483400.db2.gz DIIPCOLJQPBTCY-CYBMUJFWSA-N 1 1 362.451 3.289 20 10 FGCDMO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2cccc(OC)c2O)sc1C ZINC000279599263 497483408 /nfs/dbraw/zinc/48/34/08/497483408.db2.gz DIIPCOLJQPBTCY-CYBMUJFWSA-N 1 1 362.451 3.289 20 10 FGCDMO C[N@H+](Cc1c(O)ccc(Cl)c1F)C1CCN(c2ncccn2)CC1 ZINC000365259697 498377898 /nfs/dbraw/zinc/37/78/98/498377898.db2.gz QWXYXXNHQYELQB-UHFFFAOYSA-N 1 1 350.825 3.076 20 10 FGCDMO C[N@@H+](Cc1c(O)ccc(Cl)c1F)C1CCN(c2ncccn2)CC1 ZINC000365259697 498377904 /nfs/dbraw/zinc/37/79/04/498377904.db2.gz QWXYXXNHQYELQB-UHFFFAOYSA-N 1 1 350.825 3.076 20 10 FGCDMO COc1cc2[nH+]c(N[C@@H](C)c3ccc(N(C)C)cc3)nc(N)c2cc1OC ZINC000302397603 498477084 /nfs/dbraw/zinc/47/70/84/498477084.db2.gz KHNAOQABIQWLRX-LBPRGKRZSA-N 1 1 367.453 3.468 20 10 FGCDMO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(Br)cc1O ZINC000282944124 498720722 /nfs/dbraw/zinc/72/07/22/498720722.db2.gz YYHCLHMUEHSYCH-JTQLQIEISA-N 1 1 353.264 3.352 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000294584706 498739059 /nfs/dbraw/zinc/73/90/59/498739059.db2.gz QRVKHYVHCHFTRH-QGZVFWFLSA-N 1 1 364.536 3.003 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000294584706 498739061 /nfs/dbraw/zinc/73/90/61/498739061.db2.gz QRVKHYVHCHFTRH-QGZVFWFLSA-N 1 1 364.536 3.003 20 10 FGCDMO CCOC(=O)c1csc(CC[NH2+][C@H](CC)c2ccc(F)cc2O)n1 ZINC000287634203 498820640 /nfs/dbraw/zinc/82/06/40/498820640.db2.gz UIBJPTWZDFNOMP-CYBMUJFWSA-N 1 1 352.431 3.448 20 10 FGCDMO Cc1csc2nc(C[N@H+](Cc3ccc(N(C)C)cc3)C3CC3)cc(=O)n12 ZINC000298798168 498881593 /nfs/dbraw/zinc/88/15/93/498881593.db2.gz WQIWJXAJDGIKMH-UHFFFAOYSA-N 1 1 368.506 3.295 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283628619 498941045 /nfs/dbraw/zinc/94/10/45/498941045.db2.gz SBBLJKDVPZXNBU-UHFFFAOYSA-N 1 1 359.401 3.203 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CN(C)C)c2ccc(OC)cc2)c1 ZINC000284239018 499073696 /nfs/dbraw/zinc/07/36/96/499073696.db2.gz DYDCQIZJZMCCNE-LIRRHRJNSA-N 1 1 372.465 3.141 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c(O)c1 ZINC000367343620 499185145 /nfs/dbraw/zinc/18/51/45/499185145.db2.gz NURJOOYLNUIZNS-INIZCTEOSA-N 1 1 372.465 3.416 20 10 FGCDMO COc1ccc(C(=O)N2CCC[N@@H+](Cc3cccc(C)c3O)CC2)cc1 ZINC000367745179 499230127 /nfs/dbraw/zinc/23/01/27/499230127.db2.gz DNTWLKSHZNPXDH-UHFFFAOYSA-N 1 1 354.450 3.057 20 10 FGCDMO COc1cccc(-n2cc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)nn2)c1 ZINC000370661223 499241249 /nfs/dbraw/zinc/24/12/49/499241249.db2.gz QGBGGJWXZAMAAT-HNNXBMFYSA-N 1 1 351.454 3.193 20 10 FGCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC000371469045 499331040 /nfs/dbraw/zinc/33/10/40/499331040.db2.gz CTZPHLVYDRRENI-FVQBIDKESA-N 1 1 359.297 3.383 20 10 FGCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Cl)cc(Cl)c1[O-] ZINC000371469045 499331042 /nfs/dbraw/zinc/33/10/42/499331042.db2.gz CTZPHLVYDRRENI-FVQBIDKESA-N 1 1 359.297 3.383 20 10 FGCDMO COc1cc(O)c(CN[C@H]2c3ccccc3CC[C@H]2[NH+](C)C)cc1OC ZINC000376484362 499611728 /nfs/dbraw/zinc/61/17/28/499611728.db2.gz MFBGOQPPUXZOND-UTKZUKDTSA-N 1 1 356.466 3.117 20 10 FGCDMO COc1c(O)c(C[NH2+]C2CCC3(CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000377083276 499660447 /nfs/dbraw/zinc/66/04/47/499660447.db2.gz NKHQEXISIBGCCL-UHFFFAOYSA-N 1 1 350.415 3.138 20 10 FGCDMO CC[C@H](c1ccccc1O)[N@H+]1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 ZINC000377668955 499717373 /nfs/dbraw/zinc/71/73/73/499717373.db2.gz GIWNCNRWACICMP-IAGOWNOFSA-N 1 1 365.433 3.028 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C(F)(F)F)C1 ZINC000424957516 499977214 /nfs/dbraw/zinc/97/72/14/499977214.db2.gz UYHCYWFYYXXELH-ZDUSSCGKSA-N 1 1 367.415 3.475 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)ccc21 ZINC000457119255 501653914 /nfs/dbraw/zinc/65/39/14/501653914.db2.gz NIHTUGJAHOYJPR-LJQANCHMSA-N 1 1 371.525 3.459 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000473282225 502557812 /nfs/dbraw/zinc/55/78/12/502557812.db2.gz SOZCASLOHWKGNB-VWKPWSFCSA-N 1 1 371.525 3.237 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000473282225 502557816 /nfs/dbraw/zinc/55/78/16/502557816.db2.gz SOZCASLOHWKGNB-VWKPWSFCSA-N 1 1 371.525 3.237 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(CF)CCC2)C1 ZINC000517374705 503729404 /nfs/dbraw/zinc/72/94/04/503729404.db2.gz MTLWALJHIDQDRA-UHFFFAOYSA-N 1 1 357.473 3.416 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)N1CCCCC1 ZINC000076118525 700224473 /nfs/dbraw/zinc/22/44/73/700224473.db2.gz IKHFIOKDGSRBHS-CYBMUJFWSA-N 1 1 369.303 3.378 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)N1CCCCC1 ZINC000076118524 700224699 /nfs/dbraw/zinc/22/46/99/700224699.db2.gz IKHFIOKDGSRBHS-ZDUSSCGKSA-N 1 1 369.303 3.378 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+](C)CCC(=O)OC(C)(C)C)c1O ZINC000093686549 700453591 /nfs/dbraw/zinc/45/35/91/700453591.db2.gz FPHOAAKWKPKNLU-UHFFFAOYSA-N 1 1 374.275 3.327 20 10 FGCDMO O=[S@](CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000111233003 700547145 /nfs/dbraw/zinc/54/71/45/700547145.db2.gz PZPBUWBOCDPSGS-BVZFJXPGSA-N 1 1 359.491 3.181 20 10 FGCDMO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000136964597 704866262 /nfs/dbraw/zinc/86/62/62/704866262.db2.gz KGQNOOPPOARBSB-MRXNPFEDSA-N 1 1 363.255 3.122 20 10 FGCDMO Cc1ccc(O)c(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000136964597 704866264 /nfs/dbraw/zinc/86/62/64/704866264.db2.gz KGQNOOPPOARBSB-MRXNPFEDSA-N 1 1 363.255 3.122 20 10 FGCDMO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(O)c1O ZINC000177677433 705634839 /nfs/dbraw/zinc/63/48/39/705634839.db2.gz NHRCEVYHZLYZPK-AWEZNQCLSA-N 1 1 360.479 3.110 20 10 FGCDMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000179962452 705722205 /nfs/dbraw/zinc/72/22/05/705722205.db2.gz CEXFTWCGTGANBW-LBPRGKRZSA-N 1 1 356.260 3.318 20 10 FGCDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000179962452 705722210 /nfs/dbraw/zinc/72/22/10/705722210.db2.gz CEXFTWCGTGANBW-LBPRGKRZSA-N 1 1 356.260 3.318 20 10 FGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000184831566 712676760 /nfs/dbraw/zinc/67/67/60/712676760.db2.gz VYTIBKJKBCREGJ-UHFFFAOYSA-N 1 1 351.512 3.493 20 10 FGCDMO C[C@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(F)cc1O ZINC000185855262 712703609 /nfs/dbraw/zinc/70/36/09/712703609.db2.gz LZQODLQJFSESSO-CMPLNLGQSA-N 1 1 350.340 3.266 20 10 FGCDMO Cc1cc(O)c(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1C ZINC000186132078 712710016 /nfs/dbraw/zinc/71/00/16/712710016.db2.gz YLWUKPVQTOVUAU-UHFFFAOYSA-N 1 1 372.416 3.202 20 10 FGCDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)n1 ZINC000374256223 713908425 /nfs/dbraw/zinc/90/84/25/713908425.db2.gz MPLKPKLIFDRWFD-HNNXBMFYSA-N 1 1 365.275 3.028 20 10 FGCDMO C[C@H](C(=O)NCc1cc(Br)ccc1O)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000804738105 724548129 /nfs/dbraw/zinc/54/81/29/724548129.db2.gz CBKZZUIORDKYGU-GRYCIOLGSA-N 1 1 355.276 3.032 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000781636394 724581515 /nfs/dbraw/zinc/58/15/15/724581515.db2.gz RBDRDNMLLKYGMZ-GOSISDBHSA-N 1 1 362.267 3.387 20 10 FGCDMO CCCC(=O)NC1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781901020 724609525 /nfs/dbraw/zinc/60/95/25/724609525.db2.gz KWTYKOUUBASQLG-UHFFFAOYSA-N 1 1 369.303 3.344 20 10 FGCDMO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)cc(Br)c1O)CC2 ZINC000781912330 724611492 /nfs/dbraw/zinc/61/14/92/724611492.db2.gz PDCPJQUEUACFLX-ZDUSSCGKSA-N 1 1 368.271 3.238 20 10 FGCDMO O=C(Nc1nccs1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000732232734 722482861 /nfs/dbraw/zinc/48/28/61/722482861.db2.gz HWAWKEDXDVBFGE-CYBMUJFWSA-N 1 1 366.874 3.288 20 10 FGCDMO CC[N@@H+](CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)C1CC1 ZINC000749354114 722725806 /nfs/dbraw/zinc/72/58/06/722725806.db2.gz XFSKJCPTYVGEIJ-UHFFFAOYSA-N 1 1 357.420 3.128 20 10 FGCDMO C[NH+](C)C[C@](C)(O)CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000752110410 722845459 /nfs/dbraw/zinc/84/54/59/722845459.db2.gz FEMPSOIMGSQJMU-OAQYLSRUSA-N 1 1 350.547 3.389 20 10 FGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000753136977 722886646 /nfs/dbraw/zinc/88/66/46/722886646.db2.gz GIRFJNYZFRWUHM-RBUKOAKNSA-N 1 1 361.555 3.071 20 10 FGCDMO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1cc(F)cc(F)c1O ZINC000756370391 722963476 /nfs/dbraw/zinc/96/34/76/722963476.db2.gz GKCBEGRQBRKLSS-ZETCQYMHSA-N 1 1 360.282 3.377 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCSc2nccs2)c1 ZINC000756586162 722967286 /nfs/dbraw/zinc/96/72/86/722967286.db2.gz QQESXHZDPYXCIS-NSHDSACASA-N 1 1 352.481 3.468 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000756779249 722970031 /nfs/dbraw/zinc/97/00/31/722970031.db2.gz RUSXQMBGTPWAEE-DYZYQPBXSA-N 1 1 367.804 3.356 20 10 FGCDMO CS(=O)(=O)C1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000760398745 723053704 /nfs/dbraw/zinc/05/37/04/723053704.db2.gz DAGJPLNLTXCBRH-UHFFFAOYSA-N 1 1 359.447 3.301 20 10 FGCDMO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)c1O ZINC000790751281 723173430 /nfs/dbraw/zinc/17/34/30/723173430.db2.gz VUWSVLCWWADIRL-UWVGGRQHSA-N 1 1 366.263 3.196 20 10 FGCDMO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c(C(F)(F)F)c1 ZINC000792812315 723370456 /nfs/dbraw/zinc/37/04/56/723370456.db2.gz RJUDKVIITSAWQR-MRXNPFEDSA-N 1 1 358.404 3.499 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)c(C(F)(F)F)c1 ZINC000792812315 723370463 /nfs/dbraw/zinc/37/04/63/723370463.db2.gz RJUDKVIITSAWQR-MRXNPFEDSA-N 1 1 358.404 3.499 20 10 FGCDMO C[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766384014 723571138 /nfs/dbraw/zinc/57/11/38/723571138.db2.gz VKRQBSLQUXUWIG-CVEARBPZSA-N 1 1 351.922 3.169 20 10 FGCDMO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000766384014 723571140 /nfs/dbraw/zinc/57/11/40/723571140.db2.gz VKRQBSLQUXUWIG-CVEARBPZSA-N 1 1 351.922 3.169 20 10 FGCDMO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)ns1 ZINC000768080983 723646336 /nfs/dbraw/zinc/64/63/36/723646336.db2.gz OCGJJAHVMAQJAP-CQSZACIVSA-N 1 1 365.886 3.205 20 10 FGCDMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)ns1 ZINC000768080983 723646337 /nfs/dbraw/zinc/64/63/37/723646337.db2.gz OCGJJAHVMAQJAP-CQSZACIVSA-N 1 1 365.886 3.205 20 10 FGCDMO CNC(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1ccccc1 ZINC000796614351 723646696 /nfs/dbraw/zinc/64/66/96/723646696.db2.gz WMLIHNJPRYGXHI-KRWDZBQOSA-N 1 1 360.841 3.215 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](Oc3ccccc3Cl)C1)[C@H](O)CO2 ZINC000768463445 723658436 /nfs/dbraw/zinc/65/84/36/723658436.db2.gz TYDTZWGOYAXAPN-SUMWQHHRSA-N 1 1 361.825 3.125 20 10 FGCDMO CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000769334753 723682745 /nfs/dbraw/zinc/68/27/45/723682745.db2.gz QXFLADIUIFYKOJ-HNNXBMFYSA-N 1 1 350.459 3.232 20 10 FGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000769473900 723686552 /nfs/dbraw/zinc/68/65/52/723686552.db2.gz QDZFYOGLQLXQRM-RBUKOAKNSA-N 1 1 350.478 3.298 20 10 FGCDMO OCC1CCN(c2ccc(C[NH2+]Cc3ncc(Cl)s3)cc2)CC1 ZINC000769909833 723700118 /nfs/dbraw/zinc/70/01/18/723700118.db2.gz PSTRMJGQJXQTOG-UHFFFAOYSA-N 1 1 351.903 3.295 20 10 FGCDMO Oc1ccccc1C[NH+]1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000770508586 723715273 /nfs/dbraw/zinc/71/52/73/723715273.db2.gz AHDDRJRDCVOYDC-UHFFFAOYSA-N 1 1 358.310 3.410 20 10 FGCDMO CC[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000771058314 723726958 /nfs/dbraw/zinc/72/69/58/723726958.db2.gz MMRBSESEWRSTLQ-LZLYRXPVSA-N 1 1 366.889 3.084 20 10 FGCDMO C[NH+]1CCN(c2ccc(CN[C@@H]3COc4c3cccc4Cl)cc2)CC1 ZINC000771841016 723743409 /nfs/dbraw/zinc/74/34/09/723743409.db2.gz CITBSMBNHPVBGS-LJQANCHMSA-N 1 1 357.885 3.315 20 10 FGCDMO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H](C)[C@H]1OC ZINC000775052053 723956428 /nfs/dbraw/zinc/95/64/28/723956428.db2.gz SDTFBSXQQYVVIE-SSKCKEOISA-N 1 1 352.431 3.238 20 10 FGCDMO CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775500121 723996458 /nfs/dbraw/zinc/99/64/58/723996458.db2.gz WKSAJTFNKZSRPM-QAPCUYQASA-N 1 1 353.938 3.360 20 10 FGCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000775634215 724013546 /nfs/dbraw/zinc/01/35/46/724013546.db2.gz PALYHGCWHKVVSZ-LBPRGKRZSA-N 1 1 356.260 3.238 20 10 FGCDMO C[NH+]1CCC(C[NH2+]Cc2c([O-])cccc2Cl)(N2CCCCC2)CC1 ZINC000776220345 724120698 /nfs/dbraw/zinc/12/06/98/724120698.db2.gz VTMOJWFDACKMLK-UHFFFAOYSA-N 1 1 351.922 3.086 20 10 FGCDMO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc(O)c1O ZINC000776332796 724133375 /nfs/dbraw/zinc/13/33/75/724133375.db2.gz IASDEYMGKASECD-MRXNPFEDSA-N 1 1 360.841 3.318 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@H](O)C[C@H]3C)c2C)c1 ZINC000788276245 725054384 /nfs/dbraw/zinc/05/43/84/725054384.db2.gz USEYPLDNCNKATF-CXAGYDPISA-N 1 1 358.507 3.454 20 10 FGCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3C[C@H](O)C[C@H]3C)c2C)c1 ZINC000788276245 725054385 /nfs/dbraw/zinc/05/43/85/725054385.db2.gz USEYPLDNCNKATF-CXAGYDPISA-N 1 1 358.507 3.454 20 10 FGCDMO C[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C[NH+]1CCCC1 ZINC000805180019 725054834 /nfs/dbraw/zinc/05/48/34/725054834.db2.gz AVJVPXVILXBDAR-LLVKDONJSA-N 1 1 360.285 3.230 20 10 FGCDMO Cc1cc(Cl)cc(C[N@@H+](C)CCn2cc(Br)cn2)c1O ZINC000809793212 725269346 /nfs/dbraw/zinc/26/93/46/725269346.db2.gz ULGOTYUWODPWCN-UHFFFAOYSA-N 1 1 358.667 3.445 20 10 FGCDMO Cc1nnc(CC[NH2+][C@H](C)c2cc(Br)c(F)cc2O)s1 ZINC000810243098 725299289 /nfs/dbraw/zinc/29/92/89/725299289.db2.gz LMPMZZZQRZDZCD-SSDOTTSWSA-N 1 1 360.252 3.347 20 10 FGCDMO Cn1nc2c(c1C[NH2+]Cc1cccc(Br)c1O)CCCC2 ZINC000812773700 726809249 /nfs/dbraw/zinc/80/92/49/726809249.db2.gz NFOWYBUPPWRDCV-UHFFFAOYSA-N 1 1 350.260 3.057 20 10 FGCDMO CC[NH+](CC)CCSCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683873 726905042 /nfs/dbraw/zinc/90/50/42/726905042.db2.gz GCFKRYCXMSUDGZ-UHFFFAOYSA-N 1 1 365.326 3.390 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000816541963 727173249 /nfs/dbraw/zinc/17/32/49/727173249.db2.gz ZFZYWFXMIMXXBV-UHFFFAOYSA-N 1 1 350.821 3.311 20 10 FGCDMO COc1cc(NCC[NH2+]Cc2cc(Cl)c(F)cc2O)cc(OC)c1 ZINC000816557802 727175749 /nfs/dbraw/zinc/17/57/49/727175749.db2.gz BOUDLGAPPVDNBA-UHFFFAOYSA-N 1 1 354.809 3.404 20 10 FGCDMO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816572355 727177119 /nfs/dbraw/zinc/17/71/19/727177119.db2.gz MCRXVWQNIKXOBD-LBPRGKRZSA-N 1 1 371.861 3.445 20 10 FGCDMO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817890464 727287276 /nfs/dbraw/zinc/28/72/76/727287276.db2.gz YGZLMQDRDIYJLE-UWJYYQICSA-N 1 1 355.551 3.288 20 10 FGCDMO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(N2CCSCC2)cc1 ZINC000817890464 727287278 /nfs/dbraw/zinc/28/72/78/727287278.db2.gz YGZLMQDRDIYJLE-UWJYYQICSA-N 1 1 355.551 3.288 20 10 FGCDMO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Br)nc1 ZINC000817942073 727288854 /nfs/dbraw/zinc/28/88/54/727288854.db2.gz MDRRKEPELLCUSW-BLLLJJGKSA-N 1 1 363.303 3.261 20 10 FGCDMO CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817975560 727290177 /nfs/dbraw/zinc/29/01/77/727290177.db2.gz WMYXWOXYBXWHSX-OAHLLOKOSA-N 1 1 360.420 3.468 20 10 FGCDMO CC(=O)N1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)[C@H](C)C1 ZINC000823458682 729282369 /nfs/dbraw/zinc/28/23/69/729282369.db2.gz CJOTVDNRJQNXNW-MRXNPFEDSA-N 1 1 357.523 3.437 20 10 FGCDMO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)[C@H](C)C1 ZINC000823458682 729282372 /nfs/dbraw/zinc/28/23/72/729282372.db2.gz CJOTVDNRJQNXNW-MRXNPFEDSA-N 1 1 357.523 3.437 20 10 FGCDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824650314 729352977 /nfs/dbraw/zinc/35/29/77/729352977.db2.gz OEUDIEGVQFVZEM-CYBMUJFWSA-N 1 1 369.303 3.139 20 10 FGCDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824870502 729363033 /nfs/dbraw/zinc/36/30/33/729363033.db2.gz SLRZTAYCQCGFPG-GFCCVEGCSA-N 1 1 356.260 3.318 20 10 FGCDMO Oc1cc(Br)ccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000824895173 729364052 /nfs/dbraw/zinc/36/40/52/729364052.db2.gz RRKKPUQLZGQPSS-ZDUSSCGKSA-N 1 1 368.193 3.290 20 10 FGCDMO Cc1cc([O-])c(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1Cl ZINC000825316092 729378442 /nfs/dbraw/zinc/37/84/42/729378442.db2.gz QAQBWSJHTWOZRR-UHFFFAOYSA-N 1 1 365.949 3.394 20 10 FGCDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1O ZINC000825892752 729398740 /nfs/dbraw/zinc/39/87/40/729398740.db2.gz IRSWHBOVRZNVBO-CQSZACIVSA-N 1 1 355.276 3.035 20 10 FGCDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cccc(OC)c3O)C2)s1 ZINC000827941043 729437489 /nfs/dbraw/zinc/43/74/89/729437489.db2.gz BJKRVYDLSTVZLW-ZDUSSCGKSA-N 1 1 362.451 3.024 20 10 FGCDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc(OC)ccc3O)C2)s1 ZINC000827943348 729437524 /nfs/dbraw/zinc/43/75/24/729437524.db2.gz WGHHSAYPTXQWIB-GFCCVEGCSA-N 1 1 362.451 3.024 20 10 FGCDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)s1 ZINC000827942902 729437545 /nfs/dbraw/zinc/43/75/45/729437545.db2.gz UHXHAZZRZOZRNV-NSHDSACASA-N 1 1 350.415 3.154 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H]([C@H](C)O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828754630 729447641 /nfs/dbraw/zinc/44/76/41/729447641.db2.gz BMTPKFXVHUVXKD-GJZGRUSLSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H]([C@H](C)O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828754630 729447642 /nfs/dbraw/zinc/44/76/42/729447642.db2.gz BMTPKFXVHUVXKD-GJZGRUSLSA-N 1 1 361.873 3.028 20 10 FGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2c(C3CC3)nc3sccn23)cc1 ZINC000841045461 730205703 /nfs/dbraw/zinc/20/57/03/730205703.db2.gz LFWKEJXTDDRBKE-INIZCTEOSA-N 1 1 355.511 3.129 20 10 FGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(Br)c(F)c2)cc1 ZINC000841045735 730205996 /nfs/dbraw/zinc/20/59/96/730205996.db2.gz PBQQAXJGHZUVQO-KRWDZBQOSA-N 1 1 366.278 3.444 20 10 FGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000841046151 730206104 /nfs/dbraw/zinc/20/61/04/730206104.db2.gz XCPUDNGXDRJAOW-MRXNPFEDSA-N 1 1 353.388 3.283 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841754430 730270978 /nfs/dbraw/zinc/27/09/78/730270978.db2.gz RMXFVXYJRIIPSR-KDOFPFPSSA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1[O-] ZINC000841754430 730270981 /nfs/dbraw/zinc/27/09/81/730270981.db2.gz RMXFVXYJRIIPSR-KDOFPFPSSA-N 1 1 360.885 3.463 20 10 FGCDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000842643332 730524065 /nfs/dbraw/zinc/52/40/65/730524065.db2.gz NBWCTVYLQBMQKV-KRWDZBQOSA-N 1 1 352.356 3.046 20 10 FGCDMO C[N@H+](Cc1cccc(Br)c1O)C[C@@]1(O)CCc2ccccc21 ZINC000843420338 730619052 /nfs/dbraw/zinc/61/90/52/730619052.db2.gz CNHBLCKELJHBHO-SFHVURJKSA-N 1 1 362.267 3.421 20 10 FGCDMO C[N@@H+](Cc1cccc(Br)c1O)C[C@@]1(O)CCc2ccccc21 ZINC000843420338 730619053 /nfs/dbraw/zinc/61/90/53/730619053.db2.gz CNHBLCKELJHBHO-SFHVURJKSA-N 1 1 362.267 3.421 20 10 FGCDMO CCC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCN(C)C1 ZINC000843422684 730619306 /nfs/dbraw/zinc/61/93/06/730619306.db2.gz QBWXLGDLDSTGIB-AWEZNQCLSA-N 1 1 357.292 3.079 20 10 FGCDMO CC(C)C[N@@H+](C)CCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000846175919 730933749 /nfs/dbraw/zinc/93/37/49/730933749.db2.gz AASTXMDTZGFBTO-KRWDZBQOSA-N 1 1 351.510 3.291 20 10 FGCDMO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)C1 ZINC000848521964 731174622 /nfs/dbraw/zinc/17/46/22/731174622.db2.gz SHDHSPSULRFIQS-RYUDHWBXSA-N 1 1 357.292 3.156 20 10 FGCDMO CCc1cccc(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1O ZINC000848910398 731219577 /nfs/dbraw/zinc/21/95/77/731219577.db2.gz KSHBRUFGQMELDH-CYBMUJFWSA-N 1 1 358.404 3.235 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000850381419 731350569 /nfs/dbraw/zinc/35/05/69/731350569.db2.gz DTHDQEFJIRMVAB-ZDUSSCGKSA-N 1 1 352.203 3.387 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1[O-] ZINC000850510570 731366911 /nfs/dbraw/zinc/36/69/11/731366911.db2.gz YITUMFLOWNZUET-KSSFIOAISA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cc1[O-] ZINC000850510570 731366915 /nfs/dbraw/zinc/36/69/15/731366915.db2.gz YITUMFLOWNZUET-KSSFIOAISA-N 1 1 360.885 3.463 20 10 FGCDMO COC(=O)c1nc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)ccc1Cl ZINC000850512977 731367335 /nfs/dbraw/zinc/36/73/35/731367335.db2.gz BJNJFZNTVQXHAR-QMMMGPOBSA-N 1 1 356.756 3.356 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+]3CCO[C@](C)(C(F)F)C3)cc2)CC1 ZINC000852784007 731635122 /nfs/dbraw/zinc/63/51/22/731635122.db2.gz APOLMLCFAORRPK-IBGZPJMESA-N 1 1 354.441 3.158 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCO[C@](C)(C(F)F)C3)cc2)CC1 ZINC000852784007 731635125 /nfs/dbraw/zinc/63/51/25/731635125.db2.gz APOLMLCFAORRPK-IBGZPJMESA-N 1 1 354.441 3.158 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cn(C)nc2Br)cc1F ZINC000858132954 732183886 /nfs/dbraw/zinc/18/38/86/732183886.db2.gz MKVSKXQKLMQQLB-UHFFFAOYSA-N 1 1 369.282 3.458 20 10 FGCDMO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCc4scnc43)cc2F)CC1 ZINC000858353344 732206558 /nfs/dbraw/zinc/20/65/58/732206558.db2.gz KPHCEFIXYXKHPG-MRXNPFEDSA-N 1 1 361.486 3.411 20 10 FGCDMO CCO[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(C)C ZINC000860241896 732480105 /nfs/dbraw/zinc/48/01/05/732480105.db2.gz MZTJELHLFTZIDH-AEFFLSMTSA-N 1 1 368.905 3.187 20 10 FGCDMO Oc1cccc(Br)c1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000862292541 732805938 /nfs/dbraw/zinc/80/59/38/732805938.db2.gz HRSVKBGEHSYMOJ-QGZVFWFLSA-N 1 1 366.230 3.387 20 10 FGCDMO Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000862348908 732812866 /nfs/dbraw/zinc/81/28/66/732812866.db2.gz YMNNOJIUOHFBOW-NOZJJQNGSA-N 1 1 368.193 3.290 20 10 FGCDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862350226 732813022 /nfs/dbraw/zinc/81/30/22/732813022.db2.gz MEXYPUHORFJQBI-LBPRGKRZSA-N 1 1 350.260 3.268 20 10 FGCDMO COc1cccc(O)c1C[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC000865803467 733272725 /nfs/dbraw/zinc/27/27/25/733272725.db2.gz CVKQDOWMOXUPIQ-UHFFFAOYSA-N 1 1 355.360 3.242 20 10 FGCDMO OC1CCN(c2ccc(C[N@@H+]3CCO[C@H](c4ccsc4)C3)cc2)CC1 ZINC000876779082 736143027 /nfs/dbraw/zinc/14/30/27/736143027.db2.gz VRARTRZASNAGDE-FQEVSTJZSA-N 1 1 358.507 3.283 20 10 FGCDMO OC1CCN(c2ccc(C[N@H+]3CCO[C@H](c4ccsc4)C3)cc2)CC1 ZINC000876779082 736143031 /nfs/dbraw/zinc/14/30/31/736143031.db2.gz VRARTRZASNAGDE-FQEVSTJZSA-N 1 1 358.507 3.283 20 10 FGCDMO C[NH+](C)CCn1cc(NCc2cc(Cl)cc(Br)c2O)cn1 ZINC000882966518 737507051 /nfs/dbraw/zinc/50/70/51/737507051.db2.gz HHPNIVHUOOMCKI-UHFFFAOYSA-N 1 1 373.682 3.178 20 10 FGCDMO COc1ccc(C[NH+]2CCN([C@@H](C)c3ccsc3)CC2)c(O)c1OC ZINC000893619945 742177982 /nfs/dbraw/zinc/17/79/82/742177982.db2.gz DVGMXAUGNYSYFX-AWEZNQCLSA-N 1 1 362.495 3.350 20 10 FGCDMO COc1ccc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(O)c1OC ZINC000893619945 742177990 /nfs/dbraw/zinc/17/79/90/742177990.db2.gz DVGMXAUGNYSYFX-AWEZNQCLSA-N 1 1 362.495 3.350 20 10 FGCDMO COc1cc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000895837300 742460468 /nfs/dbraw/zinc/46/04/68/742460468.db2.gz KWLZGNBKOUMFNL-KRWDZBQOSA-N 1 1 361.404 3.445 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000896983985 742626509 /nfs/dbraw/zinc/62/65/09/742626509.db2.gz GIXHBVSIZQENJN-AWEZNQCLSA-N 1 1 350.459 3.138 20 10 FGCDMO C[C@H]([NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1)c1ccc(F)cc1O ZINC000903425518 743849104 /nfs/dbraw/zinc/84/91/04/743849104.db2.gz ICZXZVPUUOVFLB-LBPRGKRZSA-N 1 1 364.442 3.286 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccc(F)cc1O ZINC000903478299 743854939 /nfs/dbraw/zinc/85/49/39/743854939.db2.gz FRFVASGZINZZSP-ONGXEEELSA-N 1 1 354.223 3.156 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000927106004 759892661 /nfs/dbraw/zinc/89/26/61/759892661.db2.gz NQXSHBYWQOHUBA-OCCSQVGLSA-N 1 1 358.404 3.315 20 10 FGCDMO Cc1nnccc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000570891087 505604345 /nfs/dbraw/zinc/60/43/45/505604345.db2.gz VJTDCUPGUOWHKG-UHFFFAOYSA-N 1 1 363.465 3.145 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1O ZINC000079438202 494455311 /nfs/dbraw/zinc/45/53/11/494455311.db2.gz CEZNTZHZBRYFBS-AWEZNQCLSA-N 1 1 368.412 3.156 20 10 FGCDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC000080105837 494597508 /nfs/dbraw/zinc/59/75/08/494597508.db2.gz GJYDNRUNRXAZFL-APWZRJJASA-N 1 1 353.466 3.245 20 10 FGCDMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(F)cc1O ZINC000186349796 495959654 /nfs/dbraw/zinc/95/96/54/495959654.db2.gz MBWDZYMHPAZYAR-SCLBCKFNSA-N 1 1 357.429 3.154 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1O ZINC000177274302 496002887 /nfs/dbraw/zinc/00/28/87/496002887.db2.gz WKIDQMIAYUWULK-CQSZACIVSA-N 1 1 366.889 3.232 20 10 FGCDMO C[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1ccc(F)cc1O ZINC000185147051 496680933 /nfs/dbraw/zinc/68/09/33/496680933.db2.gz AMNNCGDNSXIJRT-MRXNPFEDSA-N 1 1 374.456 3.093 20 10 FGCDMO COc1cc(O)c(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1OC ZINC000191531120 496800003 /nfs/dbraw/zinc/80/00/03/496800003.db2.gz CXTDEYVZTDLSDB-NSHDSACASA-N 1 1 373.384 3.449 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCOc3ccc(OC)cc32)c1 ZINC000274367222 497080454 /nfs/dbraw/zinc/08/04/54/497080454.db2.gz JVEWSWAYKKGDOW-SJCJKPOMSA-N 1 1 357.406 3.362 20 10 FGCDMO Cn1c2ccccc2nc1CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000265627400 497149797 /nfs/dbraw/zinc/14/97/97/497149797.db2.gz DHWXMWSCHUXQBN-UHFFFAOYSA-N 1 1 364.493 3.084 20 10 FGCDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000278787744 497221335 /nfs/dbraw/zinc/22/13/35/497221335.db2.gz XJPXBSWBHKEFCI-UHFFFAOYSA-N 1 1 368.481 3.209 20 10 FGCDMO CC[N@@H+](Cc1cnn(CCOC)c1)Cc1cc(Br)ccc1O ZINC000271234284 497298800 /nfs/dbraw/zinc/29/88/00/497298800.db2.gz VWWHRBNFVDUKFI-UHFFFAOYSA-N 1 1 368.275 3.020 20 10 FGCDMO CC[C@H]([NH2+]Cc1ccnc(N2CCN(C)CC2)c1)c1ccc(C)cc1O ZINC000279957325 497602063 /nfs/dbraw/zinc/60/20/63/497602063.db2.gz CCYFCAFQSDFVMA-IBGZPJMESA-N 1 1 354.498 3.088 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272555509 497662205 /nfs/dbraw/zinc/66/22/05/497662205.db2.gz ZHEMRKSWYNSLGW-GRWKNNQQSA-N 1 1 366.461 3.138 20 10 FGCDMO O=C(NCc1ccccc1O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000263697280 497809378 /nfs/dbraw/zinc/80/93/78/497809378.db2.gz HSHGTDRONIWFBW-OAHLLOKOSA-N 1 1 359.495 3.165 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cc(F)ncc3F)cc2F)C[C@@H](C)O1 ZINC000296218912 497960183 /nfs/dbraw/zinc/96/01/83/497960183.db2.gz BUJOEYLXAUUNHZ-CHWSQXEVSA-N 1 1 365.399 3.402 20 10 FGCDMO Oc1cc2c(cc1C[N@H+]1C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]31)OCO2 ZINC000285176821 498013488 /nfs/dbraw/zinc/01/34/88/498013488.db2.gz QTQRXBUKSMROAL-SQNIBIBYSA-N 1 1 353.418 3.125 20 10 FGCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000296550552 498091553 /nfs/dbraw/zinc/09/15/53/498091553.db2.gz OQSGLOORYZGOEB-SFHVURJKSA-N 1 1 360.498 3.077 20 10 FGCDMO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1nncn1C ZINC000289380764 498126218 /nfs/dbraw/zinc/12/62/18/498126218.db2.gz MMRZDINFWBREDB-HNNXBMFYSA-N 1 1 355.408 3.387 20 10 FGCDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(F)cn1 ZINC000287801482 498866558 /nfs/dbraw/zinc/86/65/58/498866558.db2.gz UEGDSKYCPMKWCQ-CYBMUJFWSA-N 1 1 363.408 3.056 20 10 FGCDMO COC1CCN(c2ccc(C[N@@H+](C)C[C@@H](O)Cc3ccccc3)cc2)CC1 ZINC000295270671 498961067 /nfs/dbraw/zinc/96/10/67/498961067.db2.gz ZEIGTVXCLNDDQX-QFIPXVFZSA-N 1 1 368.521 3.337 20 10 FGCDMO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c(O)c1 ZINC000284115803 499051292 /nfs/dbraw/zinc/05/12/92/499051292.db2.gz NNEFGJQGYOSKGC-KRWDZBQOSA-N 1 1 354.498 3.007 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CC[C@H](N(C)Cc3noc(C(C)C)n3)C2)c1 ZINC000372588622 499150038 /nfs/dbraw/zinc/15/00/38/499150038.db2.gz CGPAUWVGGLODPG-GJZGRUSLSA-N 1 1 374.485 3.175 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)cc1F ZINC000367349290 499186100 /nfs/dbraw/zinc/18/61/00/499186100.db2.gz NQYDXXTUWJBJLM-MRXNPFEDSA-N 1 1 359.445 3.127 20 10 FGCDMO CC[C@@H](c1ccccc1O)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000367376685 499191193 /nfs/dbraw/zinc/19/11/93/499191193.db2.gz CULIUUYUHIDWBG-BQFCYCMXSA-N 1 1 358.461 3.178 20 10 FGCDMO Cc1nc(CN2CCC[C@H]([N@@H+](C)Cc3c(O)ccc4ccccc43)C2)no1 ZINC000371375950 499317056 /nfs/dbraw/zinc/31/70/56/499317056.db2.gz WQNCUUHBEMKUDL-KRWDZBQOSA-N 1 1 366.465 3.333 20 10 FGCDMO c1nn([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)c2ccccc12 ZINC000371581979 499344406 /nfs/dbraw/zinc/34/44/06/499344406.db2.gz SYXAQEJXYJVMEX-OAQYLSRUSA-N 1 1 362.477 3.320 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1ccc(N2CCOCC2)cc1 ZINC000371984974 499387085 /nfs/dbraw/zinc/38/70/85/499387085.db2.gz QNWBCIONSGFEPL-SJORKVTESA-N 1 1 369.513 3.253 20 10 FGCDMO CCCOc1ccc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)c(O)c1 ZINC000372413347 499431801 /nfs/dbraw/zinc/43/18/01/499431801.db2.gz KLQZLPMWYJRUHM-UHFFFAOYSA-N 1 1 358.438 3.122 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](c3ncc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000373203494 499457177 /nfs/dbraw/zinc/45/71/77/499457177.db2.gz GCISAABZYZXLHH-CYBMUJFWSA-N 1 1 363.439 3.454 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H](c3ncc(C)s3)C2)ccc1[N+](=O)[O-] ZINC000373203494 499457178 /nfs/dbraw/zinc/45/71/78/499457178.db2.gz GCISAABZYZXLHH-CYBMUJFWSA-N 1 1 363.439 3.454 20 10 FGCDMO C[C@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(N(C)C)cc1 ZINC000376194094 499590332 /nfs/dbraw/zinc/59/03/32/499590332.db2.gz GWQLJMNRTRISSS-GXTWGEPZSA-N 1 1 367.419 3.320 20 10 FGCDMO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000377826536 499739385 /nfs/dbraw/zinc/73/93/85/499739385.db2.gz NNHXEXXMISNGKP-UHFFFAOYSA-N 1 1 374.488 3.011 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)OC[C@H]2C)C1 ZINC000435614515 501002193 /nfs/dbraw/zinc/00/21/93/501002193.db2.gz FDTCPSBJENHOTJ-SJORKVTESA-N 1 1 369.509 3.044 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H]3C[C@H]2CS3)C1 ZINC000458332095 501422204 /nfs/dbraw/zinc/42/22/04/501422204.db2.gz LCUZMBDVASHSBZ-HOTGVXAUSA-N 1 1 369.534 3.124 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000472230052 502278259 /nfs/dbraw/zinc/27/82/59/502278259.db2.gz LPUOEVCKQHYKLH-RDJZCZTQSA-N 1 1 354.498 3.255 20 10 FGCDMO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)[C@@H]1CCOC1 ZINC000462978135 502648751 /nfs/dbraw/zinc/64/87/51/502648751.db2.gz IRKGEZPRBGMJGJ-QGZVFWFLSA-N 1 1 369.509 3.045 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)CC[C@@H]3C)ccc21 ZINC000498708900 503244148 /nfs/dbraw/zinc/24/41/48/503244148.db2.gz XQXZCZFXVFUNHV-HNNXBMFYSA-N 1 1 357.498 3.071 20 10 FGCDMO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528863837 504421083 /nfs/dbraw/zinc/42/10/83/504421083.db2.gz QSHWRCCVIUCJJW-MRXNPFEDSA-N 1 1 360.841 3.032 20 10 FGCDMO O=C(NCc1ccc(O)c(O)c1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528863837 504421089 /nfs/dbraw/zinc/42/10/89/504421089.db2.gz QSHWRCCVIUCJJW-MRXNPFEDSA-N 1 1 360.841 3.032 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCSC2)C1 ZINC000552853052 504775746 /nfs/dbraw/zinc/77/57/46/504775746.db2.gz IBHLRWRWTJREMI-INIZCTEOSA-N 1 1 371.550 3.420 20 10 FGCDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000584430028 507339247 /nfs/dbraw/zinc/33/92/47/507339247.db2.gz IHHSYOISDMPSOU-GOSISDBHSA-N 1 1 357.498 3.071 20 10 FGCDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000584430028 507339259 /nfs/dbraw/zinc/33/92/59/507339259.db2.gz IHHSYOISDMPSOU-GOSISDBHSA-N 1 1 357.498 3.071 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)c1O ZINC000824010647 608486865 /nfs/dbraw/zinc/48/68/65/608486865.db2.gz OIQMHTRHFZTGEU-SNVBAGLBSA-N 1 1 371.828 3.279 20 10 FGCDMO Cc1noc([C@H]2CCC[N@H+](Cc3cccc(Br)c3O)C2)n1 ZINC000091832893 700426778 /nfs/dbraw/zinc/42/67/78/700426778.db2.gz WHVSLUCLEPWXDF-LBPRGKRZSA-N 1 1 352.232 3.226 20 10 FGCDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cccc(Br)c3O)C2)n1 ZINC000091832893 700426780 /nfs/dbraw/zinc/42/67/80/700426780.db2.gz WHVSLUCLEPWXDF-LBPRGKRZSA-N 1 1 352.232 3.226 20 10 FGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C[C@@H]1n1ccnc1 ZINC000091959666 700429410 /nfs/dbraw/zinc/42/94/10/700429410.db2.gz UDGPHXLTGYGNNT-DOMZBBRYSA-N 1 1 350.260 3.434 20 10 FGCDMO C[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C[C@@H]1n1ccnc1 ZINC000091960582 700429494 /nfs/dbraw/zinc/42/94/94/700429494.db2.gz FVZKJCMLRRDUTI-WFASDCNBSA-N 1 1 350.260 3.434 20 10 FGCDMO C[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C[C@@H]1n1ccnc1 ZINC000091960582 700429497 /nfs/dbraw/zinc/42/94/97/700429497.db2.gz FVZKJCMLRRDUTI-WFASDCNBSA-N 1 1 350.260 3.434 20 10 FGCDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000092705926 700440322 /nfs/dbraw/zinc/44/03/22/700440322.db2.gz FSHXEWIQRYVKMV-ZDUSSCGKSA-N 1 1 369.303 3.139 20 10 FGCDMO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000119660521 700635357 /nfs/dbraw/zinc/63/53/57/700635357.db2.gz BJSNHDMMGGOQMF-OAHLLOKOSA-N 1 1 363.933 3.454 20 10 FGCDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000130124455 700796675 /nfs/dbraw/zinc/79/66/75/700796675.db2.gz ZEQCLQVSZXLJLZ-HNNXBMFYSA-N 1 1 370.588 3.293 20 10 FGCDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000179958806 705722388 /nfs/dbraw/zinc/72/23/88/705722388.db2.gz HSQMUDULJFKOOC-LLVKDONJSA-N 1 1 356.260 3.318 20 10 FGCDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185109299 712684435 /nfs/dbraw/zinc/68/44/35/712684435.db2.gz CSOWNXPZUSAFJO-CHWSQXEVSA-N 1 1 366.458 3.193 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1F ZINC000246192914 713619255 /nfs/dbraw/zinc/61/92/55/713619255.db2.gz LJOJEMRASPPDPJ-PWIZWCRZSA-N 1 1 350.478 3.440 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1F ZINC000246192914 713619258 /nfs/dbraw/zinc/61/92/58/713619258.db2.gz LJOJEMRASPPDPJ-PWIZWCRZSA-N 1 1 350.478 3.440 20 10 FGCDMO COc1cc(Br)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000246479260 713625016 /nfs/dbraw/zinc/62/50/16/713625016.db2.gz OUBCFVIAVJJPRO-IUODEOHRSA-N 1 1 369.303 3.079 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000779164144 724397183 /nfs/dbraw/zinc/39/71/83/724397183.db2.gz WADJTTGTTFNZHP-KGLIPLIRSA-N 1 1 350.459 3.136 20 10 FGCDMO C[NH+]1CCN(C(=O)c2ccc(NCc3c(O)cccc3Cl)cc2)CC1 ZINC000802762146 724405060 /nfs/dbraw/zinc/40/50/60/724405060.db2.gz VZEXEVUSPRDMIC-UHFFFAOYSA-N 1 1 359.857 3.045 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c1 ZINC000781626287 724579787 /nfs/dbraw/zinc/57/97/87/724579787.db2.gz IEIQRGPBAKQJFS-AWEZNQCLSA-N 1 1 362.271 3.209 20 10 FGCDMO C[C@H](NCC1([NH+](C)C)CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000783313609 724747029 /nfs/dbraw/zinc/74/70/29/724747029.db2.gz CFLFKHKWNDDAPW-HNNXBMFYSA-N 1 1 351.922 3.312 20 10 FGCDMO Cn1c(C[NH2+]Cc2cccc(Br)c2O)nc2cc(F)ccc21 ZINC000736355828 722522969 /nfs/dbraw/zinc/52/29/69/722522969.db2.gz ZRORBPCILUJAPA-UHFFFAOYSA-N 1 1 364.218 3.470 20 10 FGCDMO CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000756582424 722967178 /nfs/dbraw/zinc/96/71/78/722967178.db2.gz INUUUXAFIIXHFW-LBTNJELSSA-N 1 1 356.457 3.458 20 10 FGCDMO CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000756582414 722967188 /nfs/dbraw/zinc/96/71/88/722967188.db2.gz INUUUXAFIIXHFW-DEYYWGMASA-N 1 1 356.457 3.458 20 10 FGCDMO C[C@H]([NH2+]CCNc1ccccn1)c1cc(Br)c(F)cc1O ZINC000756604788 722967576 /nfs/dbraw/zinc/96/75/76/722967576.db2.gz FNMYOWLSAFETKU-JTQLQIEISA-N 1 1 354.223 3.452 20 10 FGCDMO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756641911 722968139 /nfs/dbraw/zinc/96/81/39/722968139.db2.gz ZHNGNGPNMQNJQT-OUAUKWLOSA-N 1 1 362.239 3.138 20 10 FGCDMO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000760883211 723101131 /nfs/dbraw/zinc/10/11/31/723101131.db2.gz ARUJVUSEEUIHPY-XXLQHYSLSA-N 1 1 362.239 3.138 20 10 FGCDMO CCc1cnc(N2CC[NH+](Cc3cc(Cl)cc(OC)c3O)CC2)s1 ZINC000761199685 723132471 /nfs/dbraw/zinc/13/24/71/723132471.db2.gz QUOZVABTZZKDNW-UHFFFAOYSA-N 1 1 367.902 3.395 20 10 FGCDMO O=C1[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCN1c1c(F)cccc1F ZINC000790976653 723201317 /nfs/dbraw/zinc/20/13/17/723201317.db2.gz KFVGDOIYDFRXTJ-ZDUSSCGKSA-N 1 1 370.758 3.358 20 10 FGCDMO CCN(CC)c1ccc(CNCCC[N@@H+]2CCCO[C@H](C)C2)cc1F ZINC000762480678 723247000 /nfs/dbraw/zinc/24/70/00/723247000.db2.gz BXTUGCZTVUYWKA-QGZVFWFLSA-N 1 1 351.510 3.262 20 10 FGCDMO CCN(CC)c1ccc(CNCCC[N@H+]2CCCO[C@H](C)C2)cc1F ZINC000762480678 723247004 /nfs/dbraw/zinc/24/70/04/723247004.db2.gz BXTUGCZTVUYWKA-QGZVFWFLSA-N 1 1 351.510 3.262 20 10 FGCDMO CCN(CC)c1ccc(C[NH2+]CCCN2CCCO[C@H](C)C2)cc1F ZINC000762480678 723247008 /nfs/dbraw/zinc/24/70/08/723247008.db2.gz BXTUGCZTVUYWKA-QGZVFWFLSA-N 1 1 351.510 3.262 20 10 FGCDMO COCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[C@@H](C)C1 ZINC000792193462 723320151 /nfs/dbraw/zinc/32/01/51/723320151.db2.gz WUQMMHPAJMHFEV-AEFFLSMTSA-N 1 1 350.478 3.299 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(C(F)(F)F)c1 ZINC000792841570 723373430 /nfs/dbraw/zinc/37/34/30/723373430.db2.gz AYUHKJONLQULFA-JKSUJKDBSA-N 1 1 360.445 3.478 20 10 FGCDMO Cc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)c1O ZINC000793613076 723455155 /nfs/dbraw/zinc/45/51/55/723455155.db2.gz JMPYQLZZUJANEV-HOTGVXAUSA-N 1 1 352.450 3.480 20 10 FGCDMO COc1ccc([N@H+](CCC(C)C)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000796505741 723640707 /nfs/dbraw/zinc/64/07/07/723640707.db2.gz SVPKYZOWUAJYRX-QGZVFWFLSA-N 1 1 368.543 3.219 20 10 FGCDMO COc1ccc([N@@H+](CCC(C)C)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000796505741 723640709 /nfs/dbraw/zinc/64/07/09/723640709.db2.gz SVPKYZOWUAJYRX-QGZVFWFLSA-N 1 1 368.543 3.219 20 10 FGCDMO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000796588728 723645363 /nfs/dbraw/zinc/64/53/63/723645363.db2.gz XILPJFYCGPBZIW-OAHLLOKOSA-N 1 1 352.862 3.129 20 10 FGCDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000796588728 723645365 /nfs/dbraw/zinc/64/53/65/723645365.db2.gz XILPJFYCGPBZIW-OAHLLOKOSA-N 1 1 352.862 3.129 20 10 FGCDMO CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000768237557 723651505 /nfs/dbraw/zinc/65/15/05/723651505.db2.gz PXKOPTFDYZDILA-AWEZNQCLSA-N 1 1 363.479 3.387 20 10 FGCDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c1 ZINC000768237557 723651506 /nfs/dbraw/zinc/65/15/06/723651506.db2.gz PXKOPTFDYZDILA-AWEZNQCLSA-N 1 1 363.479 3.387 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1 ZINC000768246914 723651794 /nfs/dbraw/zinc/65/17/94/723651794.db2.gz PTFYJCNUZOUPJO-UHFFFAOYSA-N 1 1 350.459 3.234 20 10 FGCDMO CC[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccc(F)cc1O ZINC000796766123 723653930 /nfs/dbraw/zinc/65/39/30/723653930.db2.gz SVHPOEHAIOYAIN-SJCJKPOMSA-N 1 1 355.356 3.290 20 10 FGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000768350294 723654925 /nfs/dbraw/zinc/65/49/25/723654925.db2.gz CUFYAMNOCQYBLG-OAHLLOKOSA-N 1 1 350.459 3.280 20 10 FGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000769335832 723682759 /nfs/dbraw/zinc/68/27/59/723682759.db2.gz YIUZYSCNPQKZLY-AWEZNQCLSA-N 1 1 350.459 3.090 20 10 FGCDMO CN(CC(F)F)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000769510053 723688165 /nfs/dbraw/zinc/68/81/65/723688165.db2.gz NKKOSGZJMFJRLE-UHFFFAOYSA-N 1 1 363.246 3.316 20 10 FGCDMO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774358719 723885446 /nfs/dbraw/zinc/88/54/46/723885446.db2.gz HJRMZTJEJWQMID-QSGSBWRWSA-N 1 1 364.269 3.170 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H](C)Oc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000775022116 723953063 /nfs/dbraw/zinc/95/30/63/723953063.db2.gz DPCSHGSDAHFDIO-NSHDSACASA-N 1 1 350.346 3.005 20 10 FGCDMO CCN(C)c1ccc(C[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000775153921 723965222 /nfs/dbraw/zinc/96/52/22/723965222.db2.gz WMSYPPXIJFUHBS-UHFFFAOYSA-N 1 1 350.260 3.296 20 10 FGCDMO Cc1cc(C[NH2+]Cc2cccc(Br)c2O)ccc1-n1cncn1 ZINC000775153950 723965387 /nfs/dbraw/zinc/96/53/87/723965387.db2.gz XTRRVLOAIKGEBF-UHFFFAOYSA-N 1 1 373.254 3.334 20 10 FGCDMO Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000775644887 724014694 /nfs/dbraw/zinc/01/46/94/724014694.db2.gz WNRJOSPFJBZLEL-LBPRGKRZSA-N 1 1 368.886 3.194 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000775690779 724026186 /nfs/dbraw/zinc/02/61/86/724026186.db2.gz XFYLLLHCRKIWBL-YPMHNXCESA-N 1 1 368.193 3.351 20 10 FGCDMO COc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)c1O ZINC000776695929 724171674 /nfs/dbraw/zinc/17/16/74/724171674.db2.gz YJFOBWCTNKEXMC-ZIAGYGMSSA-N 1 1 350.459 3.231 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000808452782 725201916 /nfs/dbraw/zinc/20/19/16/725201916.db2.gz QNLYAABWUKSQOU-CYBMUJFWSA-N 1 1 352.203 3.387 20 10 FGCDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809701368 725260529 /nfs/dbraw/zinc/26/05/29/725260529.db2.gz XIPLUQOIYXVNGX-AEFFLSMTSA-N 1 1 350.478 3.178 20 10 FGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCSC1 ZINC000810631470 725318841 /nfs/dbraw/zinc/31/88/41/725318841.db2.gz UYLNTVLRPPOMTQ-CZUORRHYSA-N 1 1 368.930 3.269 20 10 FGCDMO COc1cc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)ccc1OCCO ZINC000816539240 727172951 /nfs/dbraw/zinc/17/29/51/727172951.db2.gz XUELHPZVNYHCKD-LLVKDONJSA-N 1 1 369.820 3.415 20 10 FGCDMO O=C(NCC[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1Cl ZINC000816549655 727174176 /nfs/dbraw/zinc/17/41/76/727174176.db2.gz VASGPTVJBKRZQN-UHFFFAOYSA-N 1 1 357.212 3.358 20 10 FGCDMO COC(=O)[C@@](C)(C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816588868 727178306 /nfs/dbraw/zinc/17/83/06/727178306.db2.gz CYSCYWLELIGJIT-SFHVURJKSA-N 1 1 351.805 3.405 20 10 FGCDMO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)c1O ZINC000824821304 729360225 /nfs/dbraw/zinc/36/02/25/729360225.db2.gz XWKJJNDZXMBEMF-CQSZACIVSA-N 1 1 358.276 3.410 20 10 FGCDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824906992 729364596 /nfs/dbraw/zinc/36/45/96/729364596.db2.gz ULHDFQGBBOUCNN-AWEZNQCLSA-N 1 1 350.260 3.398 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](CCO)C2CCSCC2)c(C(F)(F)F)c1 ZINC000825133253 729372279 /nfs/dbraw/zinc/37/22/79/729372279.db2.gz AQXVDTMHXQKIQZ-UHFFFAOYSA-N 1 1 362.461 3.461 20 10 FGCDMO COc1cccc(O)c1C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000825305434 729377870 /nfs/dbraw/zinc/37/78/70/729377870.db2.gz IXZPTMHRGSGQMW-INIZCTEOSA-N 1 1 366.255 3.329 20 10 FGCDMO C[N@H+](Cc1ccc(Br)cc1O)C[C@@H](O)Cc1ccccc1 ZINC000826003859 729402014 /nfs/dbraw/zinc/40/20/14/729402014.db2.gz XYNAMZXGDDNDTM-INIZCTEOSA-N 1 1 350.256 3.190 20 10 FGCDMO [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000826943741 729419663 /nfs/dbraw/zinc/41/96/63/729419663.db2.gz ZQJDGEHUSBJIRX-KRWDZBQOSA-N 1 1 364.848 3.041 20 10 FGCDMO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000828013922 729438505 /nfs/dbraw/zinc/43/85/05/729438505.db2.gz OQFMYGPHJFIVQK-UHFFFAOYSA-N 1 1 350.260 3.462 20 10 FGCDMO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000828013922 729438506 /nfs/dbraw/zinc/43/85/06/729438506.db2.gz OQFMYGPHJFIVQK-UHFFFAOYSA-N 1 1 350.260 3.462 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000830557992 729571077 /nfs/dbraw/zinc/57/10/77/729571077.db2.gz HFLMNNCNTJEQLC-ZDUSSCGKSA-N 1 1 366.889 3.362 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1O ZINC000830557992 729571079 /nfs/dbraw/zinc/57/10/79/729571079.db2.gz HFLMNNCNTJEQLC-ZDUSSCGKSA-N 1 1 366.889 3.362 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1O ZINC000830557992 729571081 /nfs/dbraw/zinc/57/10/81/729571081.db2.gz HFLMNNCNTJEQLC-ZDUSSCGKSA-N 1 1 366.889 3.362 20 10 FGCDMO Cc1cc([O-])c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000840916946 730191064 /nfs/dbraw/zinc/19/10/64/730191064.db2.gz LTQZAMZNDFBTGT-UHFFFAOYSA-N 1 1 352.906 3.431 20 10 FGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2csc(Br)c2)cc1 ZINC000841043972 730205773 /nfs/dbraw/zinc/20/57/73/730205773.db2.gz RYTDKKGUEUEDCN-AWEZNQCLSA-N 1 1 354.317 3.366 20 10 FGCDMO Cc1cc(Br)cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841087149 730209188 /nfs/dbraw/zinc/20/91/88/730209188.db2.gz NFKQOUOOBHODND-CJNGLKHVSA-N 1 1 353.304 3.427 20 10 FGCDMO C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc(Cl)cc1O ZINC000841758850 730271266 /nfs/dbraw/zinc/27/12/66/730271266.db2.gz VMFMFSGALOYVCS-BLLLJJGKSA-N 1 1 355.862 3.112 20 10 FGCDMO CC(C)C[N@@H+](C)CCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000846175925 730933833 /nfs/dbraw/zinc/93/38/33/730933833.db2.gz AASTXMDTZGFBTO-QGZVFWFLSA-N 1 1 351.510 3.291 20 10 FGCDMO COCC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)C(F)(F)F ZINC000848921884 731220889 /nfs/dbraw/zinc/22/08/89/731220889.db2.gz JYKJAEIYSJEMDW-KRWDZBQOSA-N 1 1 360.420 3.049 20 10 FGCDMO COCC[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)C(F)(F)F ZINC000848921884 731220893 /nfs/dbraw/zinc/22/08/93/731220893.db2.gz JYKJAEIYSJEMDW-KRWDZBQOSA-N 1 1 360.420 3.049 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1[O-] ZINC000850510573 731367000 /nfs/dbraw/zinc/36/70/00/731367000.db2.gz YITUMFLOWNZUET-RDTXWAMCSA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cc1[O-] ZINC000850510573 731367004 /nfs/dbraw/zinc/36/70/04/731367004.db2.gz YITUMFLOWNZUET-RDTXWAMCSA-N 1 1 360.885 3.463 20 10 FGCDMO C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(S(C)(=O)=O)cc1 ZINC000865783618 733269479 /nfs/dbraw/zinc/26/94/79/733269479.db2.gz SCZMGUUZYXFCGW-LLVKDONJSA-N 1 1 371.861 3.482 20 10 FGCDMO C[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000866435811 733348959 /nfs/dbraw/zinc/34/89/59/733348959.db2.gz GVWIUTRJNIGWCK-KWQFWETISA-N 1 1 368.281 3.457 20 10 FGCDMO [O-]c1c(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)ccc(F)c1F ZINC000897613599 742695022 /nfs/dbraw/zinc/69/50/22/742695022.db2.gz IZFFBHCUVWWYCY-JTQLQIEISA-N 1 1 359.298 3.469 20 10 FGCDMO CC[C@@](O)(CCC(F)(F)F)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000903255552 743830893 /nfs/dbraw/zinc/83/08/93/743830893.db2.gz BYISZYIMXBDHLD-MEDUHNTESA-N 1 1 363.376 3.313 20 10 FGCDMO C[C@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)c1ccc(F)cc1O ZINC000903262625 743831972 /nfs/dbraw/zinc/83/19/72/743831972.db2.gz IORLKPHDXWBYNN-ZVLZOBCMSA-N 1 1 361.404 3.385 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCc2ncc(Br)n2C1)c1ccc(F)cc1O ZINC000903478295 743854761 /nfs/dbraw/zinc/85/47/61/743854761.db2.gz FRFVASGZINZZSP-KOLCDFICSA-N 1 1 354.223 3.156 20 10 FGCDMO CN(C)c1ccc(C[N@@H+](C[C@H](O)COCc2cccs2)C2CC2)cc1 ZINC000917013462 758165394 /nfs/dbraw/zinc/16/53/94/758165394.db2.gz BMYSTRVAGCKRJW-IBGZPJMESA-N 1 1 360.523 3.356 20 10 FGCDMO Fc1cc(C[NH2+]Cc2nc3c(s2)CCCC3)ccc1N1CCOCC1 ZINC000922700675 758985555 /nfs/dbraw/zinc/98/55/55/758985555.db2.gz QGQHWFZHZBIZCC-UHFFFAOYSA-N 1 1 361.486 3.287 20 10 FGCDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000926557905 759776321 /nfs/dbraw/zinc/77/63/21/759776321.db2.gz APFZXUUHGUFEMK-LLVKDONJSA-N 1 1 351.397 3.257 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc(F)cc1O ZINC000926989028 759869465 /nfs/dbraw/zinc/86/94/65/759869465.db2.gz QUCWOQYOQFLBLR-MPESAESLSA-N 1 1 350.434 3.295 20 10 FGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000929186080 760335987 /nfs/dbraw/zinc/33/59/87/760335987.db2.gz XAEDJXZKAGTWCV-DLBZAZTESA-N 1 1 358.404 3.065 20 10 FGCDMO Cc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n(C)n1 ZINC000580150269 505688696 /nfs/dbraw/zinc/68/86/96/505688696.db2.gz RQULLKSKJKHUBC-UHFFFAOYSA-N 1 1 365.481 3.088 20 10 FGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1O ZINC000091631587 494634469 /nfs/dbraw/zinc/63/44/69/494634469.db2.gz AEZSECKXJDDBJS-CYBMUJFWSA-N 1 1 358.417 3.040 20 10 FGCDMO C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1O ZINC000091974684 494737863 /nfs/dbraw/zinc/73/78/63/494737863.db2.gz RVALRUSWFFOASV-UHFFFAOYSA-N 1 1 351.406 3.186 20 10 FGCDMO Cn1cnnc1[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000183110111 495839401 /nfs/dbraw/zinc/83/94/01/495839401.db2.gz ZWMLGTHFPYUPFZ-IBGZPJMESA-N 1 1 364.449 3.437 20 10 FGCDMO Cn1cnnc1[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000183110111 495839406 /nfs/dbraw/zinc/83/94/06/495839406.db2.gz ZWMLGTHFPYUPFZ-IBGZPJMESA-N 1 1 364.449 3.437 20 10 FGCDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000178676648 496536379 /nfs/dbraw/zinc/53/63/79/496536379.db2.gz LUCIIBMNGZDNMS-OAQYLSRUSA-N 1 1 366.509 3.252 20 10 FGCDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000178676648 496536383 /nfs/dbraw/zinc/53/63/83/496536383.db2.gz LUCIIBMNGZDNMS-OAQYLSRUSA-N 1 1 366.509 3.252 20 10 FGCDMO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000167896412 496707103 /nfs/dbraw/zinc/70/71/03/496707103.db2.gz DGMRKZUXJRGABA-APWZRJJASA-N 1 1 369.513 3.424 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3)nc2)c1 ZINC000273414000 496799546 /nfs/dbraw/zinc/79/95/46/496799546.db2.gz QKQVNBHLHGIHPE-OAHLLOKOSA-N 1 1 369.465 3.415 20 10 FGCDMO CC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)c1nnc2n1CCCCC2 ZINC000273610966 496853143 /nfs/dbraw/zinc/85/31/43/496853143.db2.gz VUDTZHHJHJUMEJ-CZUORRHYSA-N 1 1 372.469 3.299 20 10 FGCDMO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278321324 497073134 /nfs/dbraw/zinc/07/31/34/497073134.db2.gz YAOPKYFBZHXONP-CYBMUJFWSA-N 1 1 358.394 3.307 20 10 FGCDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278321324 497073136 /nfs/dbraw/zinc/07/31/36/497073136.db2.gz YAOPKYFBZHXONP-CYBMUJFWSA-N 1 1 358.394 3.307 20 10 FGCDMO CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278571905 497156128 /nfs/dbraw/zinc/15/61/28/497156128.db2.gz CXQBVWZHQNAFLS-UHFFFAOYSA-N 1 1 359.426 3.051 20 10 FGCDMO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000266169372 497272587 /nfs/dbraw/zinc/27/25/87/497272587.db2.gz QQKMGVLVJOZMIN-LLVKDONJSA-N 1 1 369.377 3.030 20 10 FGCDMO Nc1ccc(CC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000237887441 497308046 /nfs/dbraw/zinc/30/80/46/497308046.db2.gz LEYZBQJAYLFLSP-UHFFFAOYSA-N 1 1 357.885 3.199 20 10 FGCDMO Nc1ccc(CC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000237887441 497308050 /nfs/dbraw/zinc/30/80/50/497308050.db2.gz LEYZBQJAYLFLSP-UHFFFAOYSA-N 1 1 357.885 3.199 20 10 FGCDMO C[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1cccs1 ZINC000245639725 497484801 /nfs/dbraw/zinc/48/48/01/497484801.db2.gz AOYXSHIQNKHFIF-SPDMGPDVSA-N 1 1 372.490 3.372 20 10 FGCDMO Oc1cc2c(cc1C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1)OCO2 ZINC000277133732 497752241 /nfs/dbraw/zinc/75/22/41/497752241.db2.gz ZIJDWGKEBCAUNO-UHFFFAOYSA-N 1 1 359.397 3.441 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000295960276 497869529 /nfs/dbraw/zinc/86/95/29/497869529.db2.gz IDCKXFFVJJUZAG-INIZCTEOSA-N 1 1 366.439 3.220 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)ccc21 ZINC000292299275 497959183 /nfs/dbraw/zinc/95/91/83/497959183.db2.gz RXHYPLBZKBMMMB-JOCHJYFZSA-N 1 1 369.509 3.072 20 10 FGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000293605284 498426145 /nfs/dbraw/zinc/42/61/45/498426145.db2.gz LKZMFMPXKGNNKT-UHFFFAOYSA-N 1 1 368.811 3.450 20 10 FGCDMO CN1CCN(CCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000293941561 498539252 /nfs/dbraw/zinc/53/92/52/498539252.db2.gz YSKCYBATDQQTAL-QFIPXVFZSA-N 1 1 367.537 3.293 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)c1O ZINC000365613807 498558807 /nfs/dbraw/zinc/55/88/07/498558807.db2.gz CWLFVSPKEPIQPF-CQSZACIVSA-N 1 1 366.259 3.115 20 10 FGCDMO COc1c(O)c(C[NH2+]CCc2cccc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000294078872 498582218 /nfs/dbraw/zinc/58/22/18/498582218.db2.gz YWMLVOVLAGUZIJ-UHFFFAOYSA-N 1 1 371.315 3.055 20 10 FGCDMO O=C(c1cccc(O)c1O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000365753575 498626545 /nfs/dbraw/zinc/62/65/45/498626545.db2.gz NGZSVDPAPNTEOC-UHFFFAOYSA-N 1 1 366.461 3.226 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC(c3nc(C)cs3)CC2)ccc1[N+](=O)[O-] ZINC000365828945 498659228 /nfs/dbraw/zinc/65/92/28/498659228.db2.gz WIDKVJLDIGZLAB-UHFFFAOYSA-N 1 1 363.439 3.454 20 10 FGCDMO C[C@H]([NH2+]Cc1cc(Br)ccc1O)c1nnc2n1CCCCC2 ZINC000317839171 498794370 /nfs/dbraw/zinc/79/43/70/498794370.db2.gz QVMYJXWZLYVEPZ-NSHDSACASA-N 1 1 365.275 3.323 20 10 FGCDMO Cc1csc(C2([NH2+]CC(=O)NCc3ccc(N(C)C)cc3)CCCC2)n1 ZINC000298590696 498823557 /nfs/dbraw/zinc/82/35/57/498823557.db2.gz KGTGQOLFPBCKBJ-UHFFFAOYSA-N 1 1 372.538 3.193 20 10 FGCDMO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(F)cn1 ZINC000287802453 498866481 /nfs/dbraw/zinc/86/64/81/498866481.db2.gz UEGDSKYCPMKWCQ-ZDUSSCGKSA-N 1 1 363.408 3.056 20 10 FGCDMO CN(C)c1ccc(CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cc1 ZINC000363967029 499070446 /nfs/dbraw/zinc/07/04/46/499070446.db2.gz RRTMKPYGENKRJQ-XLIONFOSSA-N 1 1 356.514 3.053 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCCN(Cc3nc(C)c(C)o3)CC2)c1 ZINC000372711591 499164746 /nfs/dbraw/zinc/16/47/46/499164746.db2.gz GZXMRVLRVXBWKR-HNNXBMFYSA-N 1 1 359.470 3.275 20 10 FGCDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000372811815 499178500 /nfs/dbraw/zinc/17/85/00/499178500.db2.gz LAGDSMVGZOKLRE-LRDDRELGSA-N 1 1 353.825 3.006 20 10 FGCDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2c(O)ccc(Cl)c2F)cn1 ZINC000372811815 499178503 /nfs/dbraw/zinc/17/85/03/499178503.db2.gz LAGDSMVGZOKLRE-LRDDRELGSA-N 1 1 353.825 3.006 20 10 FGCDMO CC[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(Br)ccc1[O-] ZINC000372344514 499423182 /nfs/dbraw/zinc/42/31/82/499423182.db2.gz GCRSTHOVNYTPCE-TZMCWYRMSA-N 1 1 350.260 3.476 20 10 FGCDMO Cc1cc(CN2CCC([N@H+](C)Cc3ccc(N(C)C)c(F)c3)CC2)on1 ZINC000372410148 499431554 /nfs/dbraw/zinc/43/15/54/499431554.db2.gz PJNRSGSPGPZJCH-UHFFFAOYSA-N 1 1 360.477 3.285 20 10 FGCDMO CC(C)c1[nH+]ccn1CCC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000378369074 499508057 /nfs/dbraw/zinc/50/80/57/499508057.db2.gz JQHWFOLXCVBPOX-UHFFFAOYSA-N 1 1 352.482 3.388 20 10 FGCDMO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000375399270 499513996 /nfs/dbraw/zinc/51/39/96/499513996.db2.gz AOEMATFBWIGSRP-BDTNDASRSA-N 1 1 358.526 3.429 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1F ZINC000375408679 499515306 /nfs/dbraw/zinc/51/53/06/499515306.db2.gz JZHGTFITBWKZEU-QFUCXCTJSA-N 1 1 364.505 3.424 20 10 FGCDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)ccc1[N+](=O)[O-] ZINC000375528040 499529027 /nfs/dbraw/zinc/52/90/27/499529027.db2.gz HRQOHGUSDLXVQS-QMTMVMCOSA-N 1 1 364.442 3.215 20 10 FGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)ccc1[N+](=O)[O-] ZINC000375528040 499529028 /nfs/dbraw/zinc/52/90/28/499529028.db2.gz HRQOHGUSDLXVQS-QMTMVMCOSA-N 1 1 364.442 3.215 20 10 FGCDMO O=C1NC[C@]2(CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)O1 ZINC000375558632 499532207 /nfs/dbraw/zinc/53/22/07/499532207.db2.gz RWWLYTSOJHWCHO-NRFANRHFSA-N 1 1 368.433 3.046 20 10 FGCDMO CC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(F)cc1[O-] ZINC000375800912 499557110 /nfs/dbraw/zinc/55/71/10/499557110.db2.gz FTQRCWBEYZUVIF-SKWUIDRYSA-N 1 1 350.478 3.461 20 10 FGCDMO CC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(F)cc1[O-] ZINC000375800912 499557111 /nfs/dbraw/zinc/55/71/11/499557111.db2.gz FTQRCWBEYZUVIF-SKWUIDRYSA-N 1 1 350.478 3.461 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000377075628 499659573 /nfs/dbraw/zinc/65/95/73/499659573.db2.gz CIZIGBBSHZNXTJ-DOTOQJQBSA-N 1 1 358.394 3.176 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c1 ZINC000377681005 499719263 /nfs/dbraw/zinc/71/92/63/499719263.db2.gz NYNNNIFJYAWANI-HZUKXOBISA-N 1 1 359.426 3.184 20 10 FGCDMO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C3CC3)no2)c1 ZINC000377681005 499719264 /nfs/dbraw/zinc/71/92/64/499719264.db2.gz NYNNNIFJYAWANI-HZUKXOBISA-N 1 1 359.426 3.184 20 10 FGCDMO CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(Br)ccc1O ZINC000377757153 499729305 /nfs/dbraw/zinc/72/93/05/499729305.db2.gz UHUOUBKDTVZDTL-DGCLKSJQSA-N 1 1 350.260 3.476 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCSCC2)C1 ZINC000444030587 500794723 /nfs/dbraw/zinc/79/47/23/500794723.db2.gz KWQQOYHDESJKRL-UHFFFAOYSA-N 1 1 371.550 3.373 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccoc2)C1 ZINC000435855452 501037578 /nfs/dbraw/zinc/03/75/78/501037578.db2.gz KJEMNMKWTOTVIL-UHFFFAOYSA-N 1 1 351.450 3.317 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000471585358 502074989 /nfs/dbraw/zinc/07/49/89/502074989.db2.gz KNASGVZEDYNODD-HOTGVXAUSA-N 1 1 356.514 3.406 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000471811920 502143750 /nfs/dbraw/zinc/14/37/50/502143750.db2.gz TUYULTZRACHDFR-KRWDZBQOSA-N 1 1 356.514 3.406 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000472229121 502276994 /nfs/dbraw/zinc/27/69/94/502276994.db2.gz KATMPDPTIRVJRT-AEFFLSMTSA-N 1 1 354.498 3.112 20 10 FGCDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1O ZINC000529701908 503665938 /nfs/dbraw/zinc/66/59/38/503665938.db2.gz LKVZDGGYQDAZEG-GOSISDBHSA-N 1 1 354.450 3.080 20 10 FGCDMO Cc1conc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000562469398 504830578 /nfs/dbraw/zinc/83/05/78/504830578.db2.gz IZJUSWAVBMKEER-UHFFFAOYSA-N 1 1 352.438 3.343 20 10 FGCDMO C[C@@H]([NH2+]Cc1cccc(Br)c1O)c1cccc(-c2nn[nH]n2)c1 ZINC000820433223 599394848 /nfs/dbraw/zinc/39/48/48/599394848.db2.gz WEDMONMNWRQRGD-SNVBAGLBSA-N 1 1 374.242 3.186 20 10 FGCDMO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000076118562 700224748 /nfs/dbraw/zinc/22/47/48/700224748.db2.gz HJLZAOAAYBCVNF-VXGBXAGGSA-N 1 1 357.292 3.280 20 10 FGCDMO CCOc1cccc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1O ZINC000093012580 700446103 /nfs/dbraw/zinc/44/61/03/700446103.db2.gz JPCAFVQDZUSOKN-UHFFFAOYSA-N 1 1 350.365 3.140 20 10 FGCDMO CCOc1cccc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)c1O ZINC000093012580 700446106 /nfs/dbraw/zinc/44/61/06/700446106.db2.gz JPCAFVQDZUSOKN-UHFFFAOYSA-N 1 1 350.365 3.140 20 10 FGCDMO C[C@@](O)(C[NH2+]Cc1cccc(Br)c1O)c1ccc(F)cc1 ZINC000157789619 705163807 /nfs/dbraw/zinc/16/38/07/705163807.db2.gz RDIXGCACWLPVMK-MRXNPFEDSA-N 1 1 354.219 3.291 20 10 FGCDMO CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000186164310 712711049 /nfs/dbraw/zinc/71/10/49/712711049.db2.gz LLOXORHOSRULKV-HIFRSBDPSA-N 1 1 351.443 3.434 20 10 FGCDMO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373979751 713889644 /nfs/dbraw/zinc/88/96/44/713889644.db2.gz ZAWSPNYDQDIWEL-XNJGSVPQSA-N 1 1 370.287 3.313 20 10 FGCDMO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373979751 713889648 /nfs/dbraw/zinc/88/96/48/713889648.db2.gz ZAWSPNYDQDIWEL-XNJGSVPQSA-N 1 1 370.287 3.313 20 10 FGCDMO COCCO[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000802652042 724397518 /nfs/dbraw/zinc/39/75/18/724397518.db2.gz IUTQMERVILXUNU-CQSZACIVSA-N 1 1 358.276 3.091 20 10 FGCDMO COCCO[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000802652042 724397519 /nfs/dbraw/zinc/39/75/19/724397519.db2.gz IUTQMERVILXUNU-CQSZACIVSA-N 1 1 358.276 3.091 20 10 FGCDMO CC[N@@H+](Cc1cc(C)cc(Br)c1O)C[C@H](O)C(F)(F)F ZINC000779192133 724398863 /nfs/dbraw/zinc/39/88/63/724398863.db2.gz GDCZEIFOYBJCKT-NSHDSACASA-N 1 1 356.182 3.208 20 10 FGCDMO CC[N@H+](Cc1cc(C)cc(Br)c1O)C[C@H](O)C(F)(F)F ZINC000779192133 724398865 /nfs/dbraw/zinc/39/88/65/724398865.db2.gz GDCZEIFOYBJCKT-NSHDSACASA-N 1 1 356.182 3.208 20 10 FGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 ZINC000779196020 724399350 /nfs/dbraw/zinc/39/93/50/724399350.db2.gz NCRLZPAWLJNJMI-HNNXBMFYSA-N 1 1 357.420 3.033 20 10 FGCDMO CC[C@H]([NH2+]Cc1cc(C)cc(Br)c1O)[C@@H](O)C(F)(F)F ZINC000781636795 724581584 /nfs/dbraw/zinc/58/15/84/724581584.db2.gz SCKGLJSFEWJXFP-CMPLNLGQSA-N 1 1 356.182 3.255 20 10 FGCDMO COc1ccc(N2CC[NH+](CCc3cccc(F)c3F)CC2)cc1F ZINC000784160043 724826941 /nfs/dbraw/zinc/82/69/41/724826941.db2.gz IVESTXXFQWVTKA-UHFFFAOYSA-N 1 1 350.384 3.477 20 10 FGCDMO Oc1c(Br)cccc1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000725847451 722424917 /nfs/dbraw/zinc/42/49/17/722424917.db2.gz MTDARMBZNCLGCF-UHFFFAOYSA-N 1 1 373.254 3.084 20 10 FGCDMO CCCCNC(=O)[C@@H](C)[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000743871098 722572143 /nfs/dbraw/zinc/57/21/43/722572143.db2.gz QORDJESXFDJEQQ-GFCCVEGCSA-N 1 1 357.292 3.281 20 10 FGCDMO Cc1[nH+]ccn1CCCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751937586 722836296 /nfs/dbraw/zinc/83/62/96/722836296.db2.gz RBCAMVYXHRKPDW-UHFFFAOYSA-N 1 1 356.451 3.068 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)c1ccc(F)cc1O ZINC000756341196 722963079 /nfs/dbraw/zinc/96/30/79/722963079.db2.gz ICEZVLLLOLKFTO-PBHICJAKSA-N 1 1 363.502 3.232 20 10 FGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000756761689 722969737 /nfs/dbraw/zinc/96/97/37/722969737.db2.gz UVQMHZDKNMLMLN-UKRRQHHQSA-N 1 1 365.495 3.274 20 10 FGCDMO Cc1nn(C)c(C[NH2+]Cc2ccc(N(C)C)cc2C)c1Br ZINC000790472449 723143475 /nfs/dbraw/zinc/14/34/75/723143475.db2.gz GLXJUYUBOYDXQX-UHFFFAOYSA-N 1 1 351.292 3.155 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+](C)CCCNC(=O)C2CCC2)c1O ZINC000763628177 723356887 /nfs/dbraw/zinc/35/68/87/723356887.db2.gz UJVBZLCDNLUTDO-UHFFFAOYSA-N 1 1 369.303 3.201 20 10 FGCDMO COc1ccc(N2CCC(Nc3cc[nH+]cc3Br)CC2)cc1 ZINC000768495195 723659233 /nfs/dbraw/zinc/65/92/33/723659233.db2.gz XMVZNKGJJUZORN-UHFFFAOYSA-N 1 1 362.271 3.356 20 10 FGCDMO O=C(CCc1ccco1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768910806 723671920 /nfs/dbraw/zinc/67/19/20/723671920.db2.gz ABYTYTNYBCGEIX-INIZCTEOSA-N 1 1 362.857 3.352 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1O ZINC000770285209 723710417 /nfs/dbraw/zinc/71/04/17/723710417.db2.gz DSUOVGVUKUVWDA-SMDDNHRTSA-N 1 1 356.260 3.164 20 10 FGCDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cs1 ZINC000772856777 723769977 /nfs/dbraw/zinc/76/99/77/723769977.db2.gz IDWFDHFVXQFVAI-CJNGLKHVSA-N 1 1 358.511 3.004 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000774351118 723885066 /nfs/dbraw/zinc/88/50/66/723885066.db2.gz BHLCKPRQQNPDNQ-ZJUUUORDSA-N 1 1 352.283 3.317 20 10 FGCDMO C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798184410 723911631 /nfs/dbraw/zinc/91/16/31/723911631.db2.gz USUNQGCGTSGZCO-AWEZNQCLSA-N 1 1 359.436 3.089 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H](C)Oc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000775028976 723953682 /nfs/dbraw/zinc/95/36/82/723953682.db2.gz ILGIXDOYROLZFC-LLVKDONJSA-N 1 1 350.346 3.005 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H]2SCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000775029084 723954216 /nfs/dbraw/zinc/95/42/16/723954216.db2.gz KEQMWDLKWBOMGS-MRXNPFEDSA-N 1 1 360.435 3.429 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H](C)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000775030330 723954220 /nfs/dbraw/zinc/95/42/20/723954220.db2.gz SNSRUXUDJFXOBI-JTQLQIEISA-N 1 1 352.337 3.481 20 10 FGCDMO COc1c(O)c(C[NH2+]Cc2cc(F)ccc2SC)ccc1[N+](=O)[O-] ZINC000775029231 723954235 /nfs/dbraw/zinc/95/42/35/723954235.db2.gz MDNXRSNVXQSYLK-UHFFFAOYSA-N 1 1 352.387 3.460 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@H](OC)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000775037446 723954831 /nfs/dbraw/zinc/95/48/31/723954831.db2.gz MGBJMDJMKMEGBN-HNNXBMFYSA-N 1 1 366.801 3.440 20 10 FGCDMO COc1ccc(N2CCN(c3cc[nH+]cc3Br)CC2)cc1F ZINC000775500632 723996352 /nfs/dbraw/zinc/99/63/52/723996352.db2.gz VOEPCIRCVYHICK-UHFFFAOYSA-N 1 1 366.234 3.318 20 10 FGCDMO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)c1O ZINC000775675047 724021844 /nfs/dbraw/zinc/02/18/44/724021844.db2.gz QKWMOFGTKZKQJU-AWEZNQCLSA-N 1 1 356.260 3.191 20 10 FGCDMO Cc1cc(Br)cc(C[N@H+]2CCCC[C@H]2C2OCCO2)c1O ZINC000775675047 724021852 /nfs/dbraw/zinc/02/18/52/724021852.db2.gz QKWMOFGTKZKQJU-AWEZNQCLSA-N 1 1 356.260 3.191 20 10 FGCDMO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805181003 725054772 /nfs/dbraw/zinc/05/47/72/725054772.db2.gz FSQIGYCSOVTSDD-LLVKDONJSA-N 1 1 360.285 3.373 20 10 FGCDMO Cc1ccccc1-n1cc(C[NH2+]Cc2cc(Br)ccc2O)nn1 ZINC000809713440 725261592 /nfs/dbraw/zinc/26/15/92/725261592.db2.gz QHGXWYTVEAECER-UHFFFAOYSA-N 1 1 373.254 3.334 20 10 FGCDMO Cc1nn(-c2ccncc2)cc1C[NH2+]Cc1cc(Br)ccc1O ZINC000809713653 725261638 /nfs/dbraw/zinc/26/16/38/725261638.db2.gz WJXXAANPQRMLTH-UHFFFAOYSA-N 1 1 373.254 3.334 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)CC)c1 ZINC000809722855 725262687 /nfs/dbraw/zinc/26/26/87/725262687.db2.gz LCQZKSDMPIWPOI-MRXNPFEDSA-N 1 1 350.459 3.234 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1 ZINC000809721073 725262768 /nfs/dbraw/zinc/26/27/68/725262768.db2.gz SEACIVILCXNRHK-MRXNPFEDSA-N 1 1 350.459 3.280 20 10 FGCDMO CCC[N@H+](CC)C[C@H](C)NCc1cc(Br)cc(OC)c1O ZINC000810180766 725295046 /nfs/dbraw/zinc/29/50/46/725295046.db2.gz KXEHAEDMLPUUCW-LBPRGKRZSA-N 1 1 359.308 3.373 20 10 FGCDMO CCC[N@@H+](CC)C[C@H](C)NCc1cc(Br)cc(OC)c1O ZINC000810180766 725295049 /nfs/dbraw/zinc/29/50/49/725295049.db2.gz KXEHAEDMLPUUCW-LBPRGKRZSA-N 1 1 359.308 3.373 20 10 FGCDMO Cc1cnn([C@H]2CC[N@H+](Cc3cc(C)cc(Br)c3O)C2)c1 ZINC000811518310 725372230 /nfs/dbraw/zinc/37/22/30/725372230.db2.gz JMPFHCDDYKCGFK-AWEZNQCLSA-N 1 1 350.260 3.415 20 10 FGCDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cc(C)cc(Br)c3O)C2)c1 ZINC000811518310 725372231 /nfs/dbraw/zinc/37/22/31/725372231.db2.gz JMPFHCDDYKCGFK-AWEZNQCLSA-N 1 1 350.260 3.415 20 10 FGCDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816482550 727166870 /nfs/dbraw/zinc/16/68/70/727166870.db2.gz KBHXSVBNQHUSJB-SNVBAGLBSA-N 1 1 372.849 3.025 20 10 FGCDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816482550 727166873 /nfs/dbraw/zinc/16/68/73/727166873.db2.gz KBHXSVBNQHUSJB-SNVBAGLBSA-N 1 1 372.849 3.025 20 10 FGCDMO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816540286 727173479 /nfs/dbraw/zinc/17/34/79/727173479.db2.gz HLMPJZNIKUIFCH-AWEZNQCLSA-N 1 1 353.821 3.331 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC000823423410 729279207 /nfs/dbraw/zinc/27/92/07/729279207.db2.gz IAWJKTPFMJVBLD-GOSISDBHSA-N 1 1 355.507 3.191 20 10 FGCDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(Br)cc2O)C1 ZINC000824894808 729363997 /nfs/dbraw/zinc/36/39/97/729363997.db2.gz KFZVBBREKIXFEH-CQSZACIVSA-N 1 1 353.304 3.318 20 10 FGCDMO COC[C@]1(CO)CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000825158105 729373023 /nfs/dbraw/zinc/37/30/23/729373023.db2.gz DXQFAYMBWRUDAF-HXUWFJFHSA-N 1 1 360.523 3.215 20 10 FGCDMO CN(C)c1ccc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)c(C(F)(F)F)c1 ZINC000826784121 729415052 /nfs/dbraw/zinc/41/50/52/729415052.db2.gz ATDWNMOFJRLKQU-UHFFFAOYSA-N 1 1 353.388 3.141 20 10 FGCDMO COC(=O)c1nc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)ccc1Cl ZINC000826981001 729420668 /nfs/dbraw/zinc/42/06/68/729420668.db2.gz FOISLAIVWRZKJN-UHFFFAOYSA-N 1 1 351.809 3.017 20 10 FGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)[C@H](O)C(F)F ZINC000834875681 729840852 /nfs/dbraw/zinc/84/08/52/729840852.db2.gz RONWTAMGTJTUTQ-IAOBUDJDSA-N 1 1 356.182 3.349 20 10 FGCDMO CS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000840961573 730197915 /nfs/dbraw/zinc/19/79/15/730197915.db2.gz HOQQZYVDEIMKFN-UHFFFAOYSA-N 1 1 358.507 3.370 20 10 FGCDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000840974872 730200058 /nfs/dbraw/zinc/20/00/58/730200058.db2.gz PIVCGXFHOFJTKT-HNNXBMFYSA-N 1 1 367.287 3.132 20 10 FGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2csc(Br)c2)cc1 ZINC000841043973 730205587 /nfs/dbraw/zinc/20/55/87/730205587.db2.gz RYTDKKGUEUEDCN-CQSZACIVSA-N 1 1 354.317 3.366 20 10 FGCDMO Cc1cc(Br)cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1O ZINC000841087151 730209228 /nfs/dbraw/zinc/20/92/28/730209228.db2.gz NFKQOUOOBHODND-CZUORRHYSA-N 1 1 353.304 3.427 20 10 FGCDMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(Cl)cc1O ZINC000841758645 730271231 /nfs/dbraw/zinc/27/12/31/730271231.db2.gz UOBNDHGISUXYNV-HIFRSBDPSA-N 1 1 351.878 3.376 20 10 FGCDMO CC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)NCc1cccs1 ZINC000842748584 730539045 /nfs/dbraw/zinc/53/90/45/730539045.db2.gz QTYDDSVMUOHMDG-ZDUSSCGKSA-N 1 1 356.850 3.431 20 10 FGCDMO CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)C(=O)NCc1cccs1 ZINC000842911076 730556054 /nfs/dbraw/zinc/55/60/54/730556054.db2.gz WTNDPMBQSKZHMU-MEBBXXQBSA-N 1 1 354.422 3.478 20 10 FGCDMO [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126642 730588939 /nfs/dbraw/zinc/58/89/39/730588939.db2.gz MLIRQBBIICTLNC-ZIAGYGMSSA-N 1 1 353.304 3.366 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[O-] ZINC000843386163 730612519 /nfs/dbraw/zinc/61/25/19/730612519.db2.gz IOBBJJSMGKCATR-HUUCEWRRSA-N 1 1 350.890 3.460 20 10 FGCDMO CCCCNC(=O)C1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862218748 732787981 /nfs/dbraw/zinc/78/79/81/732787981.db2.gz DHQMYPOOFPTELU-UHFFFAOYSA-N 1 1 353.457 3.159 20 10 FGCDMO CCN(CC)C(=O)C1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862235387 732792606 /nfs/dbraw/zinc/79/26/06/732792606.db2.gz QXDCNXJKZBXRLF-UHFFFAOYSA-N 1 1 353.457 3.111 20 10 FGCDMO CN(C)c1cc(F)c(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1F ZINC000862302901 732807194 /nfs/dbraw/zinc/80/71/94/732807194.db2.gz FGFJDTAKTVOCDS-XDHUDOTRSA-N 1 1 352.450 3.240 20 10 FGCDMO Oc1cccc(Br)c1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000862371562 732818684 /nfs/dbraw/zinc/81/86/84/732818684.db2.gz HWLASNWHKWZOFL-NSHDSACASA-N 1 1 356.651 3.452 20 10 FGCDMO CCc1cc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000872794423 735677660 /nfs/dbraw/zinc/67/76/60/735677660.db2.gz IXARGXYXAIRMPF-DOTOQJQBSA-N 1 1 365.539 3.119 20 10 FGCDMO COCCc1ncc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000876531718 736109860 /nfs/dbraw/zinc/10/98/60/736109860.db2.gz NCWCFSLYPJOLHF-INIZCTEOSA-N 1 1 362.495 3.219 20 10 FGCDMO COC(=O)c1oc(C[NH2+]Cc2cc(C)cc(Br)c2O)cc1C ZINC000877693549 736706087 /nfs/dbraw/zinc/70/60/87/736706087.db2.gz JYRKDIAMGJJAFU-UHFFFAOYSA-N 1 1 368.227 3.441 20 10 FGCDMO C[C@@H](NC(=O)NCc1cccc(Cl)c1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000894107767 742240032 /nfs/dbraw/zinc/24/00/32/742240032.db2.gz QUGFUWJQVQOBOJ-HIFRSBDPSA-N 1 1 365.905 3.498 20 10 FGCDMO COc1cccc(C[N@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1O ZINC000896983905 742626497 /nfs/dbraw/zinc/62/64/97/742626497.db2.gz CYRFNEMJGDUUER-CQSZACIVSA-N 1 1 350.459 3.138 20 10 FGCDMO C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cc(Cl)c(Cl)cc1O ZINC000903396420 743844667 /nfs/dbraw/zinc/84/46/67/743844667.db2.gz LVYBECZIJYQOLM-UWVGGRQHSA-N 1 1 369.252 3.124 20 10 FGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CNCCC2(F)F)c1O ZINC000925775851 759534548 /nfs/dbraw/zinc/53/45/48/759534548.db2.gz HTJLFNHHNMJQGC-MNOVXSKESA-N 1 1 363.246 3.359 20 10 FGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929186081 760335577 /nfs/dbraw/zinc/33/55/77/760335577.db2.gz XAEDJXZKAGTWCV-IAGOWNOFSA-N 1 1 358.404 3.065 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CCC1(O)CCC1 ZINC000929755428 760450575 /nfs/dbraw/zinc/45/05/75/760450575.db2.gz OFFXUJHFWLLNIA-HNNXBMFYSA-N 1 1 372.303 3.033 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2nccs2)C1 ZINC000571368270 505716018 /nfs/dbraw/zinc/71/60/18/505716018.db2.gz DPFQIEPDQRJBFR-UHFFFAOYSA-N 1 1 368.506 3.181 20 10 FGCDMO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC000080105827 494597771 /nfs/dbraw/zinc/59/77/71/494597771.db2.gz GJYDNRUNRXAZFL-VQIMIIECSA-N 1 1 353.466 3.245 20 10 FGCDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000126850422 494849724 /nfs/dbraw/zinc/84/97/24/494849724.db2.gz WSUGUHRWOXUDGT-HNNXBMFYSA-N 1 1 362.493 3.050 20 10 FGCDMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OC)c1O ZINC000093480532 494895947 /nfs/dbraw/zinc/89/59/47/494895947.db2.gz QTHAQIHMDFNUBQ-KRWDZBQOSA-N 1 1 370.449 3.321 20 10 FGCDMO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)cc1F ZINC000111235663 495052338 /nfs/dbraw/zinc/05/23/38/495052338.db2.gz WIVWWBWFJVHLCJ-CQSZACIVSA-N 1 1 360.429 3.019 20 10 FGCDMO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000111235867 495053371 /nfs/dbraw/zinc/05/33/71/495053371.db2.gz WEIGATTYFRGCCG-CABCVRRESA-N 1 1 372.465 3.107 20 10 FGCDMO COc1ccc(N2CCC[N@@H+](Cc3cccc(NC(C)=O)c3)CC2)cc1 ZINC000101545177 495074087 /nfs/dbraw/zinc/07/40/87/495074087.db2.gz OYACGRLMLBAGDF-UHFFFAOYSA-N 1 1 353.466 3.366 20 10 FGCDMO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1 ZINC000134265602 495128349 /nfs/dbraw/zinc/12/83/49/495128349.db2.gz JOXKNQDQQLNASC-RDTXWAMCSA-N 1 1 373.884 3.325 20 10 FGCDMO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)c1O ZINC000123797350 495187603 /nfs/dbraw/zinc/18/76/03/495187603.db2.gz ONKNHUTUHXBUOF-INIZCTEOSA-N 1 1 356.470 3.446 20 10 FGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)c1O ZINC000123797350 495187605 /nfs/dbraw/zinc/18/76/05/495187605.db2.gz ONKNHUTUHXBUOF-INIZCTEOSA-N 1 1 356.470 3.446 20 10 FGCDMO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000185492226 495597833 /nfs/dbraw/zinc/59/78/33/495597833.db2.gz WLKUIZHJGFHLMD-SJORKVTESA-N 1 1 358.526 3.423 20 10 FGCDMO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)n1-c1ccccn1 ZINC000154795696 495731166 /nfs/dbraw/zinc/73/11/66/495731166.db2.gz NXTTVFGTAKRXJU-PKOBYXMFSA-N 1 1 352.482 3.045 20 10 FGCDMO C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000186587740 496059570 /nfs/dbraw/zinc/05/95/70/496059570.db2.gz QSDSJWDAMNNVKP-VQTJNVASSA-N 1 1 358.574 3.354 20 10 FGCDMO C[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2O)CC[N@H+]1Cc1ccccc1 ZINC000187113688 496299444 /nfs/dbraw/zinc/29/94/44/496299444.db2.gz CNMSPAMRPCBKSW-DOTOQJQBSA-N 1 1 354.450 3.223 20 10 FGCDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cc3ccc(N)cc3)cc2)C1 ZINC000269258944 496906779 /nfs/dbraw/zinc/90/67/79/496906779.db2.gz LNVKRZHQUUUTNX-INIZCTEOSA-N 1 1 353.466 3.171 20 10 FGCDMO COc1cc(C[NH2+]Cc2cccc(Br)c2O)cc2c1OCO2 ZINC000278437524 497114015 /nfs/dbraw/zinc/11/40/15/497114015.db2.gz VDTZYJZFIWMKEM-UHFFFAOYSA-N 1 1 366.211 3.182 20 10 FGCDMO COc1c(O)c(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278475765 497127396 /nfs/dbraw/zinc/12/73/96/497127396.db2.gz IJTCMMHZNYZFGP-WBVHZDCISA-N 1 1 358.394 3.319 20 10 FGCDMO COc1c(O)c(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)ccc1[N+](=O)[O-] ZINC000278483265 497131052 /nfs/dbraw/zinc/13/10/52/497131052.db2.gz JRHQORRVDCRYTN-UHFFFAOYSA-N 1 1 361.398 3.171 20 10 FGCDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(N)cc1 ZINC000236903644 497166131 /nfs/dbraw/zinc/16/61/31/497166131.db2.gz SEDVQRZJABKMRL-FQEVSTJZSA-N 1 1 351.494 3.182 20 10 FGCDMO C[C@@H]1CN(c2ccc(C[NH2+][C@H](c3nccn3C)C3CC3)cc2F)C[C@H](C)O1 ZINC000271774467 497445581 /nfs/dbraw/zinc/44/55/81/497445581.db2.gz FXGIVFYLQYTJPT-MDOVXXIYSA-N 1 1 372.488 3.414 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000267479752 497563964 /nfs/dbraw/zinc/56/39/64/497563964.db2.gz YZWYTGVRWIPOII-FXAWDEMLSA-N 1 1 367.493 3.444 20 10 FGCDMO Fc1cc(C[NH2+]Cc2nccn2-c2ccccc2)ccc1N1CCOCC1 ZINC000190793667 497606346 /nfs/dbraw/zinc/60/63/46/497606346.db2.gz HQGSTRLYVSURBQ-UHFFFAOYSA-N 1 1 366.440 3.138 20 10 FGCDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295856260 497831331 /nfs/dbraw/zinc/83/13/31/497831331.db2.gz BONKDQHBZACGQH-YYWHXJBOSA-N 1 1 372.509 3.075 20 10 FGCDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299533912 497837965 /nfs/dbraw/zinc/83/79/65/497837965.db2.gz ULHHZOOBXSEZPY-INIZCTEOSA-N 1 1 369.513 3.268 20 10 FGCDMO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)c2cccc(F)c21 ZINC000364346698 497911364 /nfs/dbraw/zinc/91/13/64/497911364.db2.gz BVAFGKDXCDLXIU-LJQANCHMSA-N 1 1 374.481 3.434 20 10 FGCDMO Cc1ccc([C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280896367 497940911 /nfs/dbraw/zinc/94/09/11/497940911.db2.gz QOUZNEMWUZKFHG-OXJNMPFZSA-N 1 1 360.523 3.325 20 10 FGCDMO COC1CCN(c2ccc(C[N@H+]3CCCN(CC(F)F)CC3)cc2)CC1 ZINC000296315577 497995809 /nfs/dbraw/zinc/99/58/09/497995809.db2.gz NYRDSTAQIVIMGV-UHFFFAOYSA-N 1 1 367.484 3.075 20 10 FGCDMO CN(C)c1ccc(CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C2CC2)cc1 ZINC000292526127 498047201 /nfs/dbraw/zinc/04/72/01/498047201.db2.gz HJGSUTYPHSXNTB-UHFFFAOYSA-N 1 1 368.481 3.141 20 10 FGCDMO COc1ccc([C@@H](C[NH+](C)C)NCc2cc(Cl)cc(OC)c2O)cc1 ZINC000285367133 498065121 /nfs/dbraw/zinc/06/51/21/498065121.db2.gz ZDNCGRMWNIRJMY-QGZVFWFLSA-N 1 1 364.873 3.455 20 10 FGCDMO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1cc(Cl)c(Cl)cc1O ZINC000281272251 498083885 /nfs/dbraw/zinc/08/38/85/498083885.db2.gz XAJTWYNPHHNICS-SECBINFHSA-N 1 1 352.283 3.317 20 10 FGCDMO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(F)cc1O ZINC000285874870 498226704 /nfs/dbraw/zinc/22/67/04/498226704.db2.gz ZEAOSFYHCUKRPD-GOSISDBHSA-N 1 1 360.429 3.239 20 10 FGCDMO COc1c(O)c(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000290100358 498428649 /nfs/dbraw/zinc/42/86/49/498428649.db2.gz HPPOXYIZLWNZPU-CQSZACIVSA-N 1 1 366.801 3.176 20 10 FGCDMO COc1cc(O)c(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1OC ZINC000291155877 498821069 /nfs/dbraw/zinc/82/10/69/498821069.db2.gz BUQRLRUNCAQSLJ-QFIPXVFZSA-N 1 1 371.477 3.227 20 10 FGCDMO CN(c1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1)C1CC[NH+](C)CC1 ZINC000294893949 498841246 /nfs/dbraw/zinc/84/12/46/498841246.db2.gz RAYAFCZXZYWDKP-UHFFFAOYSA-N 1 1 373.428 3.020 20 10 FGCDMO CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2CCS(C)(=O)=O)c1[O-] ZINC000366374043 498898409 /nfs/dbraw/zinc/89/84/09/498898409.db2.gz GZQUGCUNTYIQRW-HNNXBMFYSA-N 1 1 373.902 3.037 20 10 FGCDMO COc1cc(Br)cc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1O ZINC000363835779 499019188 /nfs/dbraw/zinc/01/91/88/499019188.db2.gz XGGLVXGKKGVEJS-LBPRGKRZSA-N 1 1 352.232 3.054 20 10 FGCDMO COCCC[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000370343218 499211493 /nfs/dbraw/zinc/21/14/93/499211493.db2.gz NKWACRZPPGLBEJ-WMLDXEAASA-N 1 1 368.905 3.189 20 10 FGCDMO CCC[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000371326462 499310352 /nfs/dbraw/zinc/31/03/52/499310352.db2.gz IYWPOOQGBLQBSG-UHFFFAOYSA-N 1 1 351.922 3.038 20 10 FGCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H]4CC[N@@H+](C)[C@H]4C3)ccc21 ZINC000368588869 499310821 /nfs/dbraw/zinc/31/08/21/499310821.db2.gz HHEDLBSXZNVHCQ-UTKZUKDTSA-N 1 1 369.509 3.071 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1 ZINC000368655285 499317903 /nfs/dbraw/zinc/31/79/03/499317903.db2.gz JIOCECHMSPWTLD-INIZCTEOSA-N 1 1 366.465 3.288 20 10 FGCDMO Oc1ccccc1C[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000376008529 499575969 /nfs/dbraw/zinc/57/59/69/499575969.db2.gz SEKLTSYYRORENB-UHFFFAOYSA-N 1 1 369.284 3.095 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC23CC3)C1 ZINC000416052430 499944850 /nfs/dbraw/zinc/94/48/50/499944850.db2.gz UBWPRMBEQMQOTL-INIZCTEOSA-N 1 1 351.494 3.324 20 10 FGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000472044101 502209997 /nfs/dbraw/zinc/20/99/97/502209997.db2.gz LTAWDVSILAGGLI-QGZVFWFLSA-N 1 1 356.514 3.264 20 10 FGCDMO 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C[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[N@H+](C)C1CC1 ZINC000130806245 700806500 /nfs/dbraw/zinc/80/65/00/700806500.db2.gz XKOHQBLHWOITPO-GJZGRUSLSA-N 1 1 351.922 3.310 20 10 FGCDMO C[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[N@@H+](C)C1CC1 ZINC000130806245 700806503 /nfs/dbraw/zinc/80/65/03/700806503.db2.gz XKOHQBLHWOITPO-GJZGRUSLSA-N 1 1 351.922 3.310 20 10 FGCDMO CC(C)C[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[NH+](C)C ZINC000131850813 700820652 /nfs/dbraw/zinc/82/06/52/700820652.db2.gz YAFIESMHYFDPFG-FUHWJXTLSA-N 1 1 351.510 3.289 20 10 FGCDMO COc1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000164528442 705329875 /nfs/dbraw/zinc/32/98/75/705329875.db2.gz OYRANZFXBFJDEH-IRXDYDNUSA-N 1 1 351.512 3.405 20 10 FGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c1O ZINC000176994875 705600420 /nfs/dbraw/zinc/60/04/20/705600420.db2.gz CFOAWLCBOQMZJZ-UHFFFAOYSA-N 1 1 360.841 3.126 20 10 FGCDMO C[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)Cc1cc(F)ccc1O ZINC000180194233 705732055 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FPDOBBSHNNALGI-HNNXBMFYSA-N 1 1 358.873 3.401 20 10 FGCDMO CC1(OCC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC000746301657 722597649 /nfs/dbraw/zinc/59/76/49/722597649.db2.gz OMRZDUXXDQYWOA-MRXNPFEDSA-N 1 1 366.889 3.085 20 10 FGCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000750840495 722782957 /nfs/dbraw/zinc/78/29/57/722782957.db2.gz RBFOFUSWYGIMHB-UHFFFAOYSA-N 1 1 361.555 3.121 20 10 FGCDMO C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756403279 722964042 /nfs/dbraw/zinc/96/40/42/722964042.db2.gz XNXLXQONHUKQFG-MNOVXSKESA-N 1 1 357.267 3.429 20 10 FGCDMO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(Br)c(F)cc1O ZINC000756585839 722967265 /nfs/dbraw/zinc/96/72/65/722967265.db2.gz ZWVZOXKMSGVJKI-WDEREUQCSA-N 1 1 362.239 3.140 20 10 FGCDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)cc(Br)c2O)[C@@]12CCCO2 ZINC000759178624 723000965 /nfs/dbraw/zinc/00/09/65/723000965.db2.gz ZYSZNBGZZMHIDJ-INMHGKMJSA-N 1 1 370.287 3.279 20 10 FGCDMO 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LNRXSPSOLYXRPX-INIZCTEOSA-N 1 1 366.889 3.085 20 10 FGCDMO CCCCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768915059 723672114 /nfs/dbraw/zinc/67/21/14/723672114.db2.gz INKSUVAMYQDZIP-PBHICJAKSA-N 1 1 368.905 3.331 20 10 FGCDMO CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccc1O ZINC000770510847 723715287 /nfs/dbraw/zinc/71/52/87/723715287.db2.gz RPEZDWJYQTWCJS-UHFFFAOYSA-N 1 1 352.356 3.159 20 10 FGCDMO CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccc1O ZINC000770510847 723715288 /nfs/dbraw/zinc/71/52/88/723715288.db2.gz RPEZDWJYQTWCJS-UHFFFAOYSA-N 1 1 352.356 3.159 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H](C)Oc2ccccc2F)ccc1[N+](=O)[O-] ZINC000775028606 723953794 /nfs/dbraw/zinc/95/37/94/723953794.db2.gz FMDRWLNSZRWCOV-LLVKDONJSA-N 1 1 350.346 3.005 20 10 FGCDMO COc1c(O)c(C[NH2+]C[C@@H]2SCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000775029082 723954148 /nfs/dbraw/zinc/95/41/48/723954148.db2.gz KEQMWDLKWBOMGS-INIZCTEOSA-N 1 1 360.435 3.429 20 10 FGCDMO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@](C)(O)C(F)(F)F ZINC000799125379 723989625 /nfs/dbraw/zinc/98/96/25/723989625.db2.gz LOUSREDJZFWXBV-LBPRGKRZSA-N 1 1 356.182 3.290 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000775738326 724035142 /nfs/dbraw/zinc/03/51/42/724035142.db2.gz ANNSUMRIPXRENT-KGLIPLIRSA-N 1 1 350.459 3.136 20 10 FGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000775739068 724035606 /nfs/dbraw/zinc/03/56/06/724035606.db2.gz CBAMVMSVSBPKEY-HIFRSBDPSA-N 1 1 350.459 3.278 20 10 FGCDMO COc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)c1O ZINC000776695927 724171552 /nfs/dbraw/zinc/17/15/52/724171552.db2.gz YJFOBWCTNKEXMC-KGLIPLIRSA-N 1 1 350.459 3.231 20 10 FGCDMO C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[NH+](C)CC3)cc2Cl)C1 ZINC000800719861 724224085 /nfs/dbraw/zinc/22/40/85/724224085.db2.gz OKYPQBOHHOFVOF-HNNXBMFYSA-N 1 1 364.921 3.033 20 10 FGCDMO CCn1nccc1CC[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000801925860 724346642 /nfs/dbraw/zinc/34/66/42/724346642.db2.gz RYUOPXJPLMWDMF-UHFFFAOYSA-N 1 1 352.276 3.436 20 10 FGCDMO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1cc(F)ccc1O ZINC000778994888 724379721 /nfs/dbraw/zinc/37/97/21/724379721.db2.gz JQWMGRPWJABIMP-UHFFFAOYSA-N 1 1 367.218 3.364 20 10 FGCDMO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cc(F)ccc1O ZINC000778994888 724379726 /nfs/dbraw/zinc/37/97/26/724379726.db2.gz JQWMGRPWJABIMP-UHFFFAOYSA-N 1 1 367.218 3.364 20 10 FGCDMO COC[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)[C@@H]1CCCO1 ZINC000788619505 725076586 /nfs/dbraw/zinc/07/65/86/725076586.db2.gz OUDNTKQDOYLDBX-DVJZZOLTSA-N 1 1 362.239 3.138 20 10 FGCDMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(OCC)ccc1O ZINC000809726873 725263356 /nfs/dbraw/zinc/26/33/56/725263356.db2.gz WSBRUYYUQXUUBE-INIZCTEOSA-N 1 1 350.459 3.282 20 10 FGCDMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(OCC)c1O ZINC000809725889 725263371 /nfs/dbraw/zinc/26/33/71/725263371.db2.gz FMQUZNBFFYYLLQ-INIZCTEOSA-N 1 1 350.459 3.282 20 10 FGCDMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC)cc1O ZINC000809725909 725263386 /nfs/dbraw/zinc/26/33/86/725263386.db2.gz GBMBAVWFJVUKTH-INIZCTEOSA-N 1 1 350.459 3.282 20 10 FGCDMO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1O ZINC000815600108 727085779 /nfs/dbraw/zinc/08/57/79/727085779.db2.gz LSBAOHYANZYJMU-LLVKDONJSA-N 1 1 365.417 3.277 20 10 FGCDMO O=C1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCN1Cc1ccc(F)cc1 ZINC000816591833 727178606 /nfs/dbraw/zinc/17/86/06/727178606.db2.gz PDVDSUZTOLQWAZ-MRXNPFEDSA-N 1 1 366.795 3.215 20 10 FGCDMO CC[NH+]1CCC(N2CCC[N@H+](Cc3c([O-])cc(C)cc3Cl)CC2)CC1 ZINC000817414044 727249087 /nfs/dbraw/zinc/24/90/87/727249087.db2.gz QJUVJXQVGLZDHO-UHFFFAOYSA-N 1 1 365.949 3.346 20 10 FGCDMO CC[NH+]1CCC(N2CCC[N@@H+](Cc3c([O-])cc(C)cc3Cl)CC2)CC1 ZINC000817414044 727249088 /nfs/dbraw/zinc/24/90/88/727249088.db2.gz QJUVJXQVGLZDHO-UHFFFAOYSA-N 1 1 365.949 3.346 20 10 FGCDMO COc1ccc(N2CC[C@H](CNc3cc[nH+]cc3Br)C2)cc1 ZINC000819936918 728954979 /nfs/dbraw/zinc/95/49/79/728954979.db2.gz XPBONOXUGYNRNS-CYBMUJFWSA-N 1 1 362.271 3.213 20 10 FGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000824181593 729322947 /nfs/dbraw/zinc/32/29/47/729322947.db2.gz TZDQMTOCCWXGOM-HXUWFJFHSA-N 1 1 358.507 3.376 20 10 FGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000824690579 729355297 /nfs/dbraw/zinc/35/52/97/729355297.db2.gz HAOFQIHJLXNTRX-HXUWFJFHSA-N 1 1 360.885 3.342 20 10 FGCDMO Cn1cc([C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CC23CCOCC3)cn1 ZINC000824716623 729356415 /nfs/dbraw/zinc/35/64/15/729356415.db2.gz XEGGRIGTEFITIO-KRWDZBQOSA-N 1 1 361.873 3.175 20 10 FGCDMO Oc1cc(Br)ccc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000824895172 729363950 /nfs/dbraw/zinc/36/39/50/729363950.db2.gz RRKKPUQLZGQPSS-CYBMUJFWSA-N 1 1 368.193 3.290 20 10 FGCDMO CCc1nsc(N2CCC[N@@H+](Cc3cc(Cl)c(C)cc3O)CC2)n1 ZINC000824912985 729364839 /nfs/dbraw/zinc/36/48/39/729364839.db2.gz DXQQMZQTAVVXBU-UHFFFAOYSA-N 1 1 366.918 3.480 20 10 FGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C[C@H]1n1ccnc1 ZINC000824928049 729365409 /nfs/dbraw/zinc/36/54/09/729365409.db2.gz TUZNZTWQMLHUMK-IUODEOHRSA-N 1 1 350.260 3.434 20 10 FGCDMO COc1cc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000826065354 729404128 /nfs/dbraw/zinc/40/41/28/729404128.db2.gz XZJHWCCVAVBPIF-HNNXBMFYSA-N 1 1 369.527 3.097 20 10 FGCDMO COc1cc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000826065354 729404129 /nfs/dbraw/zinc/40/41/29/729404129.db2.gz XZJHWCCVAVBPIF-HNNXBMFYSA-N 1 1 369.527 3.097 20 10 FGCDMO [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000827948588 729437620 /nfs/dbraw/zinc/43/76/20/729437620.db2.gz HWDGWTPQMWMTHJ-AWEZNQCLSA-N 1 1 353.304 3.366 20 10 FGCDMO [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827948588 729437621 /nfs/dbraw/zinc/43/76/21/729437621.db2.gz HWDGWTPQMWMTHJ-AWEZNQCLSA-N 1 1 353.304 3.366 20 10 FGCDMO Cc1cc(C(=O)C[N@H+](C)C[C@H]2CCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827990754 729438132 /nfs/dbraw/zinc/43/81/32/729438132.db2.gz KAWMQPLXJJITHI-OAHLLOKOSA-N 1 1 361.873 3.294 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+](C)C[C@H]2CCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827990754 729438133 /nfs/dbraw/zinc/43/81/33/729438133.db2.gz KAWMQPLXJJITHI-OAHLLOKOSA-N 1 1 361.873 3.294 20 10 FGCDMO CC[C@H]1C[N@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C[C@@H]1O ZINC000828554712 729445084 /nfs/dbraw/zinc/44/50/84/729445084.db2.gz HJEAMZJNHIPANW-YOEHRIQHSA-N 1 1 361.873 3.028 20 10 FGCDMO CC[C@H]1C[N@@H+](CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)C[C@@H]1O ZINC000828554712 729445085 /nfs/dbraw/zinc/44/50/85/729445085.db2.gz HJEAMZJNHIPANW-YOEHRIQHSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)[C@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828987637 729450758 /nfs/dbraw/zinc/45/07/58/729450758.db2.gz IKCIFMKPCSXRLT-PXAZEXFGSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)[C@H](C)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000828987637 729450759 /nfs/dbraw/zinc/45/07/59/729450759.db2.gz IKCIFMKPCSXRLT-PXAZEXFGSA-N 1 1 361.873 3.028 20 10 FGCDMO Cc1nsc(N2CCC[N@H+](C/C=C/c3ccc(N(C)C)cc3)CC2)n1 ZINC000835028017 729850935 /nfs/dbraw/zinc/85/09/35/729850935.db2.gz IFEAXJXFJMUJTP-GQCTYLIASA-N 1 1 357.527 3.138 20 10 FGCDMO C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000840875757 730186710 /nfs/dbraw/zinc/18/67/10/730186710.db2.gz HASKXVODVQIMHU-SNVBAGLBSA-N 1 1 353.406 3.275 20 10 FGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000840971606 730199313 /nfs/dbraw/zinc/19/93/13/730199313.db2.gz PSPAPARCXNMCPL-YPMHNXCESA-N 1 1 350.203 3.101 20 10 FGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2cn(C)nc2-c2cccs2)cc1 ZINC000841045164 730205689 /nfs/dbraw/zinc/20/56/89/730205689.db2.gz JAAZGKONPYJUFN-QGZVFWFLSA-N 1 1 355.511 3.004 20 10 FGCDMO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1cc(Cl)cc(F)c1O ZINC000843113035 730587457 /nfs/dbraw/zinc/58/74/57/730587457.db2.gz LOQYAJDROCPTLE-MRXNPFEDSA-N 1 1 350.821 3.340 20 10 FGCDMO [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126641 730589040 /nfs/dbraw/zinc/58/90/40/730589040.db2.gz MLIRQBBIICTLNC-UONOGXRCSA-N 1 1 353.304 3.366 20 10 FGCDMO CC(C)(C)OC(=O)C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCOCC1 ZINC000843423198 730619334 /nfs/dbraw/zinc/61/93/34/730619334.db2.gz ZMKMCCQAXKIUMK-UHFFFAOYSA-N 1 1 373.852 3.413 20 10 FGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccnc(Br)c2)cc1 ZINC000844401172 730712766 /nfs/dbraw/zinc/71/27/66/730712766.db2.gz IJRNEEGQUVPPGD-UHFFFAOYSA-N 1 1 364.287 3.421 20 10 FGCDMO CCN(Cc1ccccc1)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000846100967 730928775 /nfs/dbraw/zinc/92/87/75/730928775.db2.gz WLJUYYYOWXBWMO-STWLZBDKSA-N 1 1 354.519 3.418 20 10 FGCDMO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(Br)c1O ZINC000850411828 731353987 /nfs/dbraw/zinc/35/39/87/731353987.db2.gz LOEYUBIBBHGUNR-WBMJQRKESA-N 1 1 350.256 3.409 20 10 FGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](OC)[C@H]1CCOC1 ZINC000851792863 731499452 /nfs/dbraw/zinc/49/94/52/731499452.db2.gz QKHGQLIJOJDODD-LRDDRELGSA-N 1 1 358.276 3.028 20 10 FGCDMO COc1cc(C)cc(C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c1O ZINC000853520069 731717183 /nfs/dbraw/zinc/71/71/83/731717183.db2.gz KWROBISPVFGHBA-UHFFFAOYSA-N 1 1 352.475 3.444 20 10 FGCDMO C[C@H]1CN(c2ccc(C[NH2+]Cc3cn(C)nc3Cl)cc2F)C[C@H](C)O1 ZINC000856766092 732056296 /nfs/dbraw/zinc/05/62/96/732056296.db2.gz QTNMKKJXXWICOJ-STQMWFEESA-N 1 1 366.868 3.116 20 10 FGCDMO C[C@@H]1C[NH+](CCCC[NH2+]Cc2c([O-])cccc2Br)C[C@@H](C)O1 ZINC000858140851 732185042 /nfs/dbraw/zinc/18/50/42/732185042.db2.gz IOYCPFOFFDYVGM-ZIAGYGMSSA-N 1 1 371.319 3.134 20 10 FGCDMO CC[C@H]([NH2+]C(c1ccnn1C)c1ccnn1C)c1cc(Cl)ccc1O ZINC000858583545 732228641 /nfs/dbraw/zinc/22/86/41/732228641.db2.gz KOFZPKDXZSWGBO-AWEZNQCLSA-N 1 1 359.861 3.343 20 10 FGCDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1c(O)cccc1Br)C2 ZINC000862333055 732810990 /nfs/dbraw/zinc/81/09/90/732810990.db2.gz NAZJQSWYMIFNNE-SFHVURJKSA-N 1 1 373.250 3.251 20 10 FGCDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC000862365925 732817391 /nfs/dbraw/zinc/81/73/91/732817391.db2.gz HPZZGHSVZCHHNH-GFCCVEGCSA-N 1 1 355.276 3.035 20 10 FGCDMO OC[C@]1(c2ccccc2)CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862375838 732819197 /nfs/dbraw/zinc/81/91/97/732819197.db2.gz SAYXMPXZRCJWRW-SFHVURJKSA-N 1 1 362.267 3.291 20 10 FGCDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862394890 732823845 /nfs/dbraw/zinc/82/38/45/732823845.db2.gz SHRXAAKJMQVMII-CYBMUJFWSA-N 1 1 367.287 3.132 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000862525930 732842767 /nfs/dbraw/zinc/84/27/67/732842767.db2.gz IVKHJIKJAMTQMY-UXHICEINSA-N 1 1 364.555 3.465 20 10 FGCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000862525930 732842768 /nfs/dbraw/zinc/84/27/68/732842768.db2.gz IVKHJIKJAMTQMY-UXHICEINSA-N 1 1 364.555 3.465 20 10 FGCDMO COc1c(O)c(C[NH2+]CC2([C@H]3CCCCO3)CCC2)ccc1[N+](=O)[O-] ZINC000877697532 736707339 /nfs/dbraw/zinc/70/73/39/736707339.db2.gz JZJZALYRPAWFCT-OAHLLOKOSA-N 1 1 350.415 3.138 20 10 FGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)C1N=NC(=O)N1C ZINC000895171700 742383888 /nfs/dbraw/zinc/38/38/88/742383888.db2.gz KTEVWCFTFVZKRP-CYBMUJFWSA-N 1 1 357.483 3.069 20 10 FGCDMO Cc1c[nH]c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000579551025 505573157 /nfs/dbraw/zinc/57/31/57/505573157.db2.gz HQPMDTCXISBJHL-UHFFFAOYSA-N 1 1 351.454 3.078 20 10 FGCDMO CC(=O)Nc1cccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000101726213 495093367 /nfs/dbraw/zinc/09/33/67/495093367.db2.gz MUENBGLJGGEUAK-UHFFFAOYSA-N 1 1 353.466 3.114 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000124191108 495248561 /nfs/dbraw/zinc/24/85/61/495248561.db2.gz LVYVEYMMCOTSOH-INIZCTEOSA-N 1 1 370.497 3.488 20 10 FGCDMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(N(C)C)cc1 ZINC000130498577 495401047 /nfs/dbraw/zinc/40/10/47/495401047.db2.gz DJBZHMHNKQMAQK-OAQYLSRUSA-N 1 1 367.541 3.140 20 10 FGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000176308406 495591319 /nfs/dbraw/zinc/59/13/19/495591319.db2.gz JACKXKZTYPVJET-MSOLQXFVSA-N 1 1 352.482 3.188 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000179483433 495609472 /nfs/dbraw/zinc/60/94/72/495609472.db2.gz DMVYXBVSAPDWQE-UHFFFAOYSA-N 1 1 354.450 3.139 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000179780784 495732940 /nfs/dbraw/zinc/73/29/40/495732940.db2.gz SJJIDRFBSIGQCY-OAHLLOKOSA-N 1 1 352.438 3.213 20 10 FGCDMO CCOc1cccc(C[N@H+](CC)CC(=O)Nc2ccccc2OC)c1O ZINC000154850223 495749296 /nfs/dbraw/zinc/74/92/96/495749296.db2.gz KVBAHGWEKHLCEK-UHFFFAOYSA-N 1 1 358.438 3.260 20 10 FGCDMO CCOc1cccc(C[N@@H+](CC)CC(=O)Nc2ccccc2OC)c1O ZINC000154850223 495749301 /nfs/dbraw/zinc/74/93/01/495749301.db2.gz KVBAHGWEKHLCEK-UHFFFAOYSA-N 1 1 358.438 3.260 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1ccc(-n2ccnc2)nc1)C[C@@H]1CCCO1 ZINC000177153360 495950949 /nfs/dbraw/zinc/95/09/49/495950949.db2.gz RSLWXQOLNQOHEU-IBGZPJMESA-N 1 1 364.449 3.154 20 10 FGCDMO COc1cc(O)c(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000183381328 495956677 /nfs/dbraw/zinc/95/66/77/495956677.db2.gz HXPZUZSXDALKTA-CQSZACIVSA-N 1 1 368.437 3.183 20 10 FGCDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180829915 496162210 /nfs/dbraw/zinc/16/22/10/496162210.db2.gz KYKDUGJKMJDOIZ-RQMBKDMJSA-N 1 1 366.461 3.092 20 10 FGCDMO COc1cc(OC)cc([C@H]([NH2+]Cc2cccc(C)c2O)c2nccn2C)c1 ZINC000181035861 496248061 /nfs/dbraw/zinc/24/80/61/496248061.db2.gz BXBZJOCYBRCJAR-IBGZPJMESA-N 1 1 367.449 3.331 20 10 FGCDMO Cn1c2ccccc2nc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000172522610 496326219 /nfs/dbraw/zinc/32/62/19/496326219.db2.gz BPFCLLAVRRWFKW-UHFFFAOYSA-N 1 1 350.466 3.042 20 10 FGCDMO Cn1c2ccccc2nc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000172522610 496326225 /nfs/dbraw/zinc/32/62/25/496326225.db2.gz BPFCLLAVRRWFKW-UHFFFAOYSA-N 1 1 350.466 3.042 20 10 FGCDMO Cc1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000158050411 496616546 /nfs/dbraw/zinc/61/65/46/496616546.db2.gz OTSRHQKYVPCWQK-SFHVURJKSA-N 1 1 373.884 3.072 20 10 FGCDMO C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268866592 496809209 /nfs/dbraw/zinc/80/92/09/496809209.db2.gz CNYMURHXDDFIBG-MRXNPFEDSA-N 1 1 361.505 3.330 20 10 FGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000191613184 496832527 /nfs/dbraw/zinc/83/25/27/496832527.db2.gz HUCBDBKRORJQDT-UHFFFAOYSA-N 1 1 350.821 3.500 20 10 FGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)OCCCO3)c1 ZINC000273600713 496850878 /nfs/dbraw/zinc/85/08/78/496850878.db2.gz RYFFPMSBBZYHSN-ZDUSSCGKSA-N 1 1 357.406 3.191 20 10 FGCDMO CC[C@@](C)([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000269680568 496988472 /nfs/dbraw/zinc/98/84/72/496988472.db2.gz ZXJAZCQXPJZTMY-LJQANCHMSA-N 1 1 360.527 3.083 20 10 FGCDMO COc1c(O)c(C[NH+]2CCC(OCCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278139952 497018609 /nfs/dbraw/zinc/01/86/09/497018609.db2.gz AROPIQQMOOPQAZ-UHFFFAOYSA-N 1 1 352.431 3.336 20 10 FGCDMO COc1c(O)c(C[NH2+]C2CCC(O)(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278481738 497130328 /nfs/dbraw/zinc/13/03/28/497130328.db2.gz JMTXZGYAZNMKQE-UHFFFAOYSA-N 1 1 372.421 3.229 20 10 FGCDMO CCOCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCC1 ZINC000278525631 497142764 /nfs/dbraw/zinc/14/27/64/497142764.db2.gz TUTWKSCZPDHFCS-UHFFFAOYSA-N 1 1 352.431 3.386 20 10 FGCDMO CC(=O)N1CC[NH+](Cc2cccc(NCc3cc(C)c(C)cc3O)c2)CC1 ZINC000189515086 497146501 /nfs/dbraw/zinc/14/65/01/497146501.db2.gz HYDBARFIRMGMFN-UHFFFAOYSA-N 1 1 367.493 3.285 20 10 FGCDMO COc1c([O-])c(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278563370 497154733 /nfs/dbraw/zinc/15/47/33/497154733.db2.gz BOPVGCNNVGCRDU-AWEZNQCLSA-N 1 1 351.447 3.053 20 10 FGCDMO C[N@H+](Cc1cnc([C@H]2CCCO2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000271028220 497249618 /nfs/dbraw/zinc/24/96/18/497249618.db2.gz FXJNKJXCURCRJZ-LJQANCHMSA-N 1 1 373.522 3.463 20 10 FGCDMO C[N@@H+](Cc1cnc([C@H]2CCCO2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000271028220 497249624 /nfs/dbraw/zinc/24/96/24/497249624.db2.gz FXJNKJXCURCRJZ-LJQANCHMSA-N 1 1 373.522 3.463 20 10 FGCDMO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cc4c(cc3O)OCO4)n2)c1 ZINC000266149536 497268146 /nfs/dbraw/zinc/26/81/46/497268146.db2.gz JTUUUBWOCZJTTI-LLVKDONJSA-N 1 1 369.377 3.030 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cc1ccc(N)cc1 ZINC000237678722 497274792 /nfs/dbraw/zinc/27/47/92/497274792.db2.gz GZENOCGFZSBKJR-UWJYYQICSA-N 1 1 351.494 3.180 20 10 FGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000267479755 497564327 /nfs/dbraw/zinc/56/43/27/497564327.db2.gz YZWYTGVRWIPOII-PXNSSMCTSA-N 1 1 367.493 3.444 20 10 FGCDMO Cc1ccc([C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280896371 497940093 /nfs/dbraw/zinc/94/00/93/497940093.db2.gz QOUZNEMWUZKFHG-OXQOHEQNSA-N 1 1 360.523 3.325 20 10 FGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c2nccn21 ZINC000296164418 497940745 /nfs/dbraw/zinc/94/07/45/497940745.db2.gz XIQPBTNLKJUQLU-ZXFNITATSA-N 1 1 358.461 3.431 20 10 FGCDMO CCOc1cccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1O ZINC000289373542 498124716 /nfs/dbraw/zinc/12/47/16/498124716.db2.gz BDBYDDUTPADTJJ-NRFANRHFSA-N 1 1 359.441 3.357 20 10 FGCDMO COc1cc(C)cc2c1OCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000364761632 498132603 /nfs/dbraw/zinc/13/26/03/498132603.db2.gz VWQIMNSZYZLBQZ-AWEZNQCLSA-N 1 1 374.393 3.239 20 10 FGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCCN(Cc3noc(C(C)C)n3)CC2)c1 ZINC000364980820 498239060 /nfs/dbraw/zinc/23/90/60/498239060.db2.gz KEVUTERCEISZMY-OAHLLOKOSA-N 1 1 374.485 3.176 20 10 FGCDMO Cc1nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c2n1CCCC2 ZINC000360062661 498241886 /nfs/dbraw/zinc/24/18/86/498241886.db2.gz WHLJFCQYEYYSPH-HNNXBMFYSA-N 1 1 372.488 3.354 20 10 FGCDMO COc1ccc(N2CCC([N@@H+](C)C[C@H](O)c3ccccc3F)CC2)cc1 ZINC000360521049 498281086 /nfs/dbraw/zinc/28/10/86/498281086.db2.gz SCXAVWRZUXLBRN-NRFANRHFSA-N 1 1 358.457 3.469 20 10 FGCDMO CN1CCN(CCC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000293941557 498539375 /nfs/dbraw/zinc/53/93/75/498539375.db2.gz YSKCYBATDQQTAL-JOCHJYFZSA-N 1 1 367.537 3.293 20 10 FGCDMO C[C@@H]1CN(c2ccc(CNC3CC[NH+](C4CC4)CC3)cc2F)C[C@@H](C)O1 ZINC000298549946 498811122 /nfs/dbraw/zinc/81/11/22/498811122.db2.gz UOKQMAMIRDAJQA-HZPDHXFCSA-N 1 1 361.505 3.156 20 10 FGCDMO CCOCc1cc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)ccc1OC ZINC000363442024 498824608 /nfs/dbraw/zinc/82/46/08/498824608.db2.gz LNNITMQUPFRAIA-OAHLLOKOSA-N 1 1 358.486 3.400 20 10 FGCDMO C[C@H]([NH2+]Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1cc(F)ccc1O ZINC000369902572 499148800 /nfs/dbraw/zinc/14/88/00/499148800.db2.gz OJQJEKMEJPAYBF-VHSXEESVSA-N 1 1 358.339 3.098 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@](CO)(C(C)C)C2)c1O ZINC000367956553 499249259 /nfs/dbraw/zinc/24/92/59/499249259.db2.gz CDKMZHWAHQTBAL-INIZCTEOSA-N 1 1 358.276 3.004 20 10 FGCDMO NC(=O)C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000367983020 499251884 /nfs/dbraw/zinc/25/18/84/499251884.db2.gz MLVBUERKALCWJZ-XGBCSFPLSA-N 1 1 365.437 3.238 20 10 FGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000371332534 499311411 /nfs/dbraw/zinc/31/14/11/499311411.db2.gz QHWUTXDIMHFRBD-NEPJUHHUSA-N 1 1 356.260 3.022 20 10 FGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000371397304 499321065 /nfs/dbraw/zinc/32/10/65/499321065.db2.gz ZYBCQFHEDDXRFL-CYBMUJFWSA-N 1 1 361.467 3.098 20 10 FGCDMO Oc1ccc(Cl)cc1C[NH2+]Cc1nnc(-c2ccncc2F)s1 ZINC000373465769 499471536 /nfs/dbraw/zinc/47/15/36/499471536.db2.gz MHZYEGOFCKGLLZ-UHFFFAOYSA-N 1 1 350.806 3.388 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376575473 499619844 /nfs/dbraw/zinc/61/98/44/499619844.db2.gz VCOGXCQYVATWNJ-STQMWFEESA-N 1 1 358.269 3.125 20 10 FGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376575473 499619845 /nfs/dbraw/zinc/61/98/45/499619845.db2.gz VCOGXCQYVATWNJ-STQMWFEESA-N 1 1 358.269 3.125 20 10 FGCDMO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000377024985 499655183 /nfs/dbraw/zinc/65/51/83/499655183.db2.gz NCZDAPLJQPCJON-XJKCOSOUSA-N 1 1 356.869 3.164 20 10 FGCDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000377024985 499655184 /nfs/dbraw/zinc/65/51/84/499655184.db2.gz NCZDAPLJQPCJON-XJKCOSOUSA-N 1 1 356.869 3.164 20 10 FGCDMO CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)cc2)CC1 ZINC000377951111 499750599 /nfs/dbraw/zinc/75/05/99/499750599.db2.gz UOPILXBDIMBGFE-IBGZPJMESA-N 1 1 352.482 3.313 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CS[C@@H](C)C2)C1 ZINC000412614891 499869179 /nfs/dbraw/zinc/86/91/79/499869179.db2.gz QVQVXQLFZXFYAT-HOTGVXAUSA-N 1 1 371.550 3.418 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C(F)(F)F)C1 ZINC000424952077 499974710 /nfs/dbraw/zinc/97/47/10/499974710.db2.gz UYHCYWFYYXXELH-CYBMUJFWSA-N 1 1 367.415 3.475 20 10 FGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@@H]2CCCO2)C1 ZINC000444128222 500807199 /nfs/dbraw/zinc/80/71/99/500807199.db2.gz PYNKDHDXVDDIJJ-KRWDZBQOSA-N 1 1 369.509 3.045 20 10 FGCDMO CS[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000452555870 501522709 /nfs/dbraw/zinc/52/27/09/501522709.db2.gz ZEGZUMLZLLRADE-MRXNPFEDSA-N 1 1 371.550 3.372 20 10 FGCDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2c(C)c3ccccc3n2C)[C@@H](C)C1 ZINC000472226193 502277244 /nfs/dbraw/zinc/27/72/44/502277244.db2.gz VGYGCEYLAOPHTI-YJBOKZPZSA-N 1 1 356.514 3.358 20 10 FGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(F)cc2-c2nn[nH]n2)cc1 ZINC000736530991 598716121 /nfs/dbraw/zinc/71/61/21/598716121.db2.gz BBDINTPKQSUJDF-UHFFFAOYSA-N 1 1 368.460 3.484 20 10 FGCDMO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000823732294 607385971 /nfs/dbraw/zinc/38/59/71/607385971.db2.gz KMYQNJODQGTKFG-UHFFFAOYSA-N 1 1 367.434 3.429 20 10 FGCDMO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccc(-c2nn[nH]n2)s1 ZINC000823732294 607385973 /nfs/dbraw/zinc/38/59/73/607385973.db2.gz KMYQNJODQGTKFG-UHFFFAOYSA-N 1 1 367.434 3.429 20 10 FGCDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccc(N(C)C)cc1 ZINC000824296955 608533689 /nfs/dbraw/zinc/53/36/89/608533689.db2.gz MXDQEUHJQRWYBP-UHFFFAOYSA-N 1 1 356.499 3.405 20 10 FGCDMO