smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nsc(N2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000093716843 542939506 /nfs/dbraw/zinc/93/95/06/542939506.db2.gz XPPBXWIZQXJJNV-UHFFFAOYSA-N 1 1 373.526 2.395 20 10 FECDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000104855483 543147606 /nfs/dbraw/zinc/14/76/06/543147606.db2.gz MDCXTDRENOMADX-LJQANCHMSA-N 1 1 363.477 2.277 20 10 FECDMO C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)Cc1ccccc1O ZINC000111235253 543388721 /nfs/dbraw/zinc/38/87/21/543388721.db2.gz PBZQMDZZIPGZFQ-HOCLYGCPSA-N 1 1 356.422 2.169 20 10 FECDMO CCCC(=O)NCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261075 544300501 /nfs/dbraw/zinc/30/05/01/544300501.db2.gz PRWKUOAIGBYVSN-HNNXBMFYSA-N 1 1 367.877 2.043 20 10 FECDMO CCCC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261056 544300770 /nfs/dbraw/zinc/30/07/70/544300770.db2.gz PRWKUOAIGBYVSN-OAHLLOKOSA-N 1 1 367.877 2.043 20 10 FECDMO C[N@H+]1CCC[C@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000154058250 544858852 /nfs/dbraw/zinc/85/88/52/544858852.db2.gz MFJOLVBXBISXKJ-NFCKIUOLSA-N 1 1 369.509 2.479 20 10 FECDMO C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000156543235 545634894 /nfs/dbraw/zinc/63/48/94/545634894.db2.gz BBWRLTIYLFTLSH-LPHOPBHVSA-N 1 1 355.486 2.148 20 10 FECDMO CC[N@@H+](CC(=O)NC[C@@H]1CCCO1)Cc1cc(Br)ccc1O ZINC000174422952 546295564 /nfs/dbraw/zinc/29/55/64/546295564.db2.gz UWKJVPUQPXQFGG-AWEZNQCLSA-N 1 1 371.275 2.272 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000183162048 547613784 /nfs/dbraw/zinc/61/37/84/547613784.db2.gz WXAZVMPFWIQJMH-SIBVEZHUSA-N 1 1 373.522 2.078 20 10 FECDMO C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1O ZINC000184980825 547911124 /nfs/dbraw/zinc/91/11/24/547911124.db2.gz NJENFMKWFSHFAL-HNNXBMFYSA-N 1 1 359.449 2.184 20 10 FECDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000185589197 548006581 /nfs/dbraw/zinc/00/65/81/548006581.db2.gz SNDYZRYIKSRNTP-SFHVURJKSA-N 1 1 373.545 2.112 20 10 FECDMO O=C([C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1)N1CCOCC1 ZINC000191206456 548341887 /nfs/dbraw/zinc/34/18/87/548341887.db2.gz BMGFPNSPPQYSOA-GFCCVEGCSA-N 1 1 356.825 2.256 20 10 FECDMO O=C([C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1)N1CCOCC1 ZINC000191206456 548341891 /nfs/dbraw/zinc/34/18/91/548341891.db2.gz BMGFPNSPPQYSOA-GFCCVEGCSA-N 1 1 356.825 2.256 20 10 FECDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000245742309 548986298 /nfs/dbraw/zinc/98/62/98/548986298.db2.gz RUJDLOSTWJVUKP-PXFQQHSPSA-N 1 1 360.454 2.211 20 10 FECDMO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)c(C)n1-c1ccccn1 ZINC000261751328 549751267 /nfs/dbraw/zinc/75/12/67/549751267.db2.gz PGQZUBWPRWDUGL-QGZVFWFLSA-N 1 1 364.453 2.009 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000264679142 549999533 /nfs/dbraw/zinc/99/95/33/549999533.db2.gz YZUNWYPIGCOAIW-WOPDUGCTSA-N 1 1 355.482 2.279 20 10 FECDMO Cc1cc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)c(C)n1-c1ccccn1 ZINC000265733956 550013601 /nfs/dbraw/zinc/01/36/01/550013601.db2.gz CTOJRJZQIHWQLB-UHFFFAOYSA-N 1 1 364.453 2.185 20 10 FECDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000266431668 550020519 /nfs/dbraw/zinc/02/05/19/550020519.db2.gz SKGUJCZPZOJELX-MBNRZODZSA-N 1 1 357.498 2.337 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccnn3C(C)C)CC2)cc1 ZINC000268887349 550127304 /nfs/dbraw/zinc/12/73/04/550127304.db2.gz ZDNYZCUXWDARBM-UHFFFAOYSA-N 1 1 371.485 2.025 20 10 FECDMO CCCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000271104259 550340995 /nfs/dbraw/zinc/34/09/95/550340995.db2.gz QUCCQXOFQJPDPD-AWEZNQCLSA-N 1 1 357.472 2.199 20 10 FECDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCN1c1nccn2cnnc12 ZINC000271232725 550356000 /nfs/dbraw/zinc/35/60/00/550356000.db2.gz CLXMICHLEYTBMJ-CQSZACIVSA-N 1 1 369.448 2.040 20 10 FECDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCN1c1nccn2cnnc12 ZINC000271232725 550356002 /nfs/dbraw/zinc/35/60/02/550356002.db2.gz CLXMICHLEYTBMJ-CQSZACIVSA-N 1 1 369.448 2.040 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277182283 550640813 /nfs/dbraw/zinc/64/08/13/550640813.db2.gz TYINQUZKBHJOMI-ZDUSSCGKSA-N 1 1 356.426 2.288 20 10 FECDMO COc1c(O)c(C[N@H+]2CCCN(c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000278153892 550755005 /nfs/dbraw/zinc/75/50/05/550755005.db2.gz CRQDHIGWPNBEKI-UHFFFAOYSA-N 1 1 364.427 2.478 20 10 FECDMO COCCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278330551 550773742 /nfs/dbraw/zinc/77/37/42/550773742.db2.gz ZFXUHWHGFCGYOL-UHFFFAOYSA-N 1 1 354.403 2.327 20 10 FECDMO COc1c(O)c(C[NH2+]CCC(=O)NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000278560008 550799076 /nfs/dbraw/zinc/79/90/76/550799076.db2.gz BDOUPYJPHTZJNN-UHFFFAOYSA-N 1 1 351.403 2.238 20 10 FECDMO CCCOc1ccc(C[N@H+]2C[C@@H](CO)C[C@H](OCCOC)C2)c(O)c1 ZINC000278748037 550817840 /nfs/dbraw/zinc/81/78/40/550817840.db2.gz RTKHSRJYAMFCKF-YJBOKZPZSA-N 1 1 353.459 2.027 20 10 FECDMO CCCC[N@@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)Cc1ccccc1O ZINC000282547454 551245112 /nfs/dbraw/zinc/24/51/12/551245112.db2.gz WSDLUFXHFKSNEH-SFHVURJKSA-N 1 1 361.486 2.121 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000288248242 552118436 /nfs/dbraw/zinc/11/84/36/552118436.db2.gz UFCGFSSCVNEVSD-UHFFFAOYSA-N 1 1 372.469 2.232 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000289140418 552271990 /nfs/dbraw/zinc/27/19/90/552271990.db2.gz AHLGQAATBKXRDW-BDJLRTHQSA-N 1 1 351.403 2.092 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000289338499 552303497 /nfs/dbraw/zinc/30/34/97/552303497.db2.gz HNWRSCMBNOMHKR-INIZCTEOSA-N 1 1 356.488 2.037 20 10 FECDMO CN(C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1)S(C)(=O)=O ZINC000294687415 552926775 /nfs/dbraw/zinc/92/67/75/552926775.db2.gz NHCYWPOSSOAOGX-NSHDSACASA-N 1 1 364.870 2.288 20 10 FECDMO CN(C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1)S(C)(=O)=O ZINC000294687415 552926776 /nfs/dbraw/zinc/92/67/76/552926776.db2.gz NHCYWPOSSOAOGX-NSHDSACASA-N 1 1 364.870 2.288 20 10 FECDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1F ZINC000295123990 552961219 /nfs/dbraw/zinc/96/12/19/552961219.db2.gz NRUJYRIFSUKXMI-AWEZNQCLSA-N 1 1 355.454 2.209 20 10 FECDMO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](C)c2cc(F)ccc2O)CC1 ZINC000296249382 553129452 /nfs/dbraw/zinc/12/94/52/553129452.db2.gz CWFKIZRYWZPQGB-OIRASMEMSA-N 1 1 357.447 2.369 20 10 FECDMO COC(=O)C1CCN(C(=O)C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000298737603 553466290 /nfs/dbraw/zinc/46/62/90/553466290.db2.gz VTIZRFOKDGFJED-UHFFFAOYSA-N 1 1 373.497 2.129 20 10 FECDMO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2c(O)ccc(Cl)c2F)cn1 ZINC000364571640 555342404 /nfs/dbraw/zinc/34/24/04/555342404.db2.gz CMQCHWYUIBHGNR-WBMJQRKESA-N 1 1 352.797 2.028 20 10 FECDMO COc1ccc(N2CCC([N@@H+](C)CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000369996135 556752251 /nfs/dbraw/zinc/75/22/51/556752251.db2.gz LTKJUUGICKHSDU-UHFFFAOYSA-N 1 1 359.430 2.401 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CCCN(c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000370092183 556778752 /nfs/dbraw/zinc/77/87/52/556778752.db2.gz MBVSQYRKLAHHAG-AWEZNQCLSA-N 1 1 358.398 2.463 20 10 FECDMO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371298470 557136317 /nfs/dbraw/zinc/13/63/17/557136317.db2.gz WEYURGRJIJBUAL-PMACEKPBSA-N 1 1 370.497 2.115 20 10 FECDMO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371298470 557136319 /nfs/dbraw/zinc/13/63/19/557136319.db2.gz WEYURGRJIJBUAL-PMACEKPBSA-N 1 1 370.497 2.115 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)c1 ZINC000374353905 557870282 /nfs/dbraw/zinc/87/02/82/557870282.db2.gz WPHQTIJRIHTBDV-GOSISDBHSA-N 1 1 362.470 2.298 20 10 FECDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cccc(Br)c1O ZINC000809701115 674505956 /nfs/dbraw/zinc/50/59/56/674505956.db2.gz UNIBMZUNBJFPQW-GXTWGEPZSA-N 1 1 355.276 2.450 20 10 FECDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cccc(Br)c1O ZINC000809701115 674505958 /nfs/dbraw/zinc/50/59/58/674505958.db2.gz UNIBMZUNBJFPQW-GXTWGEPZSA-N 1 1 355.276 2.450 20 10 FECDMO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2c(O)ccc(Cl)c2F)NC(=O)NC1=O ZINC000809704734 674506253 /nfs/dbraw/zinc/50/62/53/674506253.db2.gz IUUWVINAOZFYLO-JDNHERCYSA-N 1 1 355.797 2.137 20 10 FECDMO C[C@]1(C[C@H]2CCC[N@H+]2Cc2c(O)ccc(Cl)c2F)NC(=O)NC1=O ZINC000809704734 674506255 /nfs/dbraw/zinc/50/62/55/674506255.db2.gz IUUWVINAOZFYLO-JDNHERCYSA-N 1 1 355.797 2.137 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H](CO)COC(C)C)c1O ZINC000809768443 674509089 /nfs/dbraw/zinc/50/90/89/674509089.db2.gz LDBITENTLKKRFG-ZDUSSCGKSA-N 1 1 362.264 2.381 20 10 FECDMO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(OC)c1O ZINC000826158978 608567112 /nfs/dbraw/zinc/56/71/12/608567112.db2.gz LBVTYXAFEOXORE-UHFFFAOYSA-N 1 1 369.425 2.230 20 10 FECDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1)C(F)(F)F ZINC000811515021 674610149 /nfs/dbraw/zinc/61/01/49/674610149.db2.gz LCYXHKADEXYOFH-SNVBAGLBSA-N 1 1 360.332 2.011 20 10 FECDMO O=C(NC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1)C(F)(F)F ZINC000811515021 674610154 /nfs/dbraw/zinc/61/01/54/674610154.db2.gz LCYXHKADEXYOFH-SNVBAGLBSA-N 1 1 360.332 2.011 20 10 FECDMO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816608792 675068168 /nfs/dbraw/zinc/06/81/68/675068168.db2.gz JQNVWORZJUGVFU-NSHDSACASA-N 1 1 350.843 2.088 20 10 FECDMO Cc1[nH+]ccn1CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000052292437 670311724 /nfs/dbraw/zinc/31/17/24/670311724.db2.gz NMCGUWQBHYYBEQ-UHFFFAOYSA-N 1 1 359.499 2.244 20 10 FECDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093360566 670752358 /nfs/dbraw/zinc/75/23/58/670752358.db2.gz RQLUWUPARQCEJN-JTQLQIEISA-N 1 1 357.248 2.121 20 10 FECDMO COC(=O)C[N@H+](CCCc1cnn(C)c1)Cc1cc(Cl)ccc1O ZINC000111238384 670856349 /nfs/dbraw/zinc/85/63/49/670856349.db2.gz SSPKWZYYWWSCCR-UHFFFAOYSA-N 1 1 351.834 2.387 20 10 FECDMO COC(=O)C[N@@H+](CCCc1cnn(C)c1)Cc1cc(Cl)ccc1O ZINC000111238384 670856354 /nfs/dbraw/zinc/85/63/54/670856354.db2.gz SSPKWZYYWWSCCR-UHFFFAOYSA-N 1 1 351.834 2.387 20 10 FECDMO c1cc(N2CCSCC2)ccc1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817890020 675185412 /nfs/dbraw/zinc/18/54/12/675185412.db2.gz WCJFRRJHCSPRIM-HSALFYBXSA-N 1 1 361.555 2.487 20 10 FECDMO CCc1cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)c(O)c(C(C)(C)C)c1 ZINC000138333946 672144018 /nfs/dbraw/zinc/14/40/18/672144018.db2.gz CHUYDYDEVMNFDZ-OAHLLOKOSA-N 1 1 354.516 2.376 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1F ZINC000159401432 672281709 /nfs/dbraw/zinc/28/17/09/672281709.db2.gz OKBFARXHAGNVQC-HNNXBMFYSA-N 1 1 357.495 2.186 20 10 FECDMO C[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1ccccc1O ZINC000731842791 673344398 /nfs/dbraw/zinc/34/43/98/673344398.db2.gz FGQNAULJEBZXQS-UHFFFAOYSA-N 1 1 359.451 2.040 20 10 FECDMO C[N@@H+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1ccccc1O ZINC000731842791 673344401 /nfs/dbraw/zinc/34/44/01/673344401.db2.gz FGQNAULJEBZXQS-UHFFFAOYSA-N 1 1 359.451 2.040 20 10 FECDMO Cc1cccc2c1C[NH2+]CCN2S(=O)(=O)c1cccc2nsnc21 ZINC000568492918 675378155 /nfs/dbraw/zinc/37/81/55/675378155.db2.gz VLSAINKZLHBCBJ-UHFFFAOYSA-N 1 1 360.464 2.298 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827141604 675733413 /nfs/dbraw/zinc/73/34/13/675733413.db2.gz VCRANLKBZGMELJ-GXFFZTMASA-N 1 1 369.259 2.264 20 10 FECDMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[NH+]1CCSCC1 ZINC000840296082 680812881 /nfs/dbraw/zinc/81/28/81/680812881.db2.gz XKUNEMLNJTYSOC-MRXNPFEDSA-N 1 1 364.559 2.340 20 10 FECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000840945386 680855647 /nfs/dbraw/zinc/85/56/47/680855647.db2.gz MBHGNHQSMYNNGT-MRXNPFEDSA-N 1 1 365.543 2.355 20 10 FECDMO C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756557830 680485077 /nfs/dbraw/zinc/48/50/77/680485077.db2.gz WKTKYOMUALRQCT-SCZZXKLOSA-N 1 1 351.672 2.381 20 10 FECDMO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Br)c(F)cc1O ZINC000756613047 680488727 /nfs/dbraw/zinc/48/87/27/680488727.db2.gz NHLXGUPMRLAWIJ-XLKFXECMSA-N 1 1 358.211 2.412 20 10 FECDMO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(F)cc(F)c1O ZINC000756731020 680495071 /nfs/dbraw/zinc/49/50/71/680495071.db2.gz CBZSMABFUHGMRW-IINYFYTJSA-N 1 1 350.369 2.250 20 10 FECDMO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3O)C2=O)n(C)n1 ZINC000756732877 680495483 /nfs/dbraw/zinc/49/54/83/680495483.db2.gz NSMKGSOODHZVQJ-IINYFYTJSA-N 1 1 350.369 2.168 20 10 FECDMO CCS(=O)(=O)CC[N@H+](C)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000758390084 680575253 /nfs/dbraw/zinc/57/52/53/680575253.db2.gz NXNPDKJSJDQOCF-UHFFFAOYSA-N 1 1 365.451 2.199 20 10 FECDMO CCS(=O)(=O)CC[N@@H+](C)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000758390084 680575255 /nfs/dbraw/zinc/57/52/55/680575255.db2.gz NXNPDKJSJDQOCF-UHFFFAOYSA-N 1 1 365.451 2.199 20 10 FECDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000837464475 680607208 /nfs/dbraw/zinc/60/72/08/680607208.db2.gz CQYUSTXLHNNJMO-CQSZACIVSA-N 1 1 370.471 2.183 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)c1 ZINC000841761266 680910680 /nfs/dbraw/zinc/91/06/80/680910680.db2.gz HXFOJVVQKHQVOW-ZDUSSCGKSA-N 1 1 351.443 2.397 20 10 FECDMO COc1cc(Br)cc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1O ZINC000841892035 680916709 /nfs/dbraw/zinc/91/67/09/680916709.db2.gz SAFFZOWGEXJDAH-NWDGAFQWSA-N 1 1 373.291 2.050 20 10 FECDMO [NH3+]C[C@@H]1CN(Cc2cc(Br)ccc2O)CC12CCOCC2 ZINC000843125515 680989209 /nfs/dbraw/zinc/98/92/09/680989209.db2.gz XONQZFJQTIBGSL-CYBMUJFWSA-N 1 1 355.276 2.342 20 10 FECDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCN1c1nccn2cnnc12 ZINC000770279252 681011558 /nfs/dbraw/zinc/01/15/58/681011558.db2.gz HELKNERRLQLZFM-GFCCVEGCSA-N 1 1 358.833 2.194 20 10 FECDMO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058168 681039923 /nfs/dbraw/zinc/03/99/23/681039923.db2.gz LWLMVXMDFDIMIJ-BBRMVZONSA-N 1 1 351.878 2.078 20 10 FECDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058168 681039925 /nfs/dbraw/zinc/03/99/25/681039925.db2.gz LWLMVXMDFDIMIJ-BBRMVZONSA-N 1 1 351.878 2.078 20 10 FECDMO COc1ccc(N(C)CCN(C)C(=O)C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000844855446 681088252 /nfs/dbraw/zinc/08/82/52/681088252.db2.gz WPXGYTQCLNHBMK-INIZCTEOSA-N 1 1 351.516 2.027 20 10 FECDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000773731591 681153787 /nfs/dbraw/zinc/15/37/87/681153787.db2.gz VWEYLCUCQWOXRU-SFHVURJKSA-N 1 1 353.532 2.437 20 10 FECDMO COc1c(O)c(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000775030958 681269541 /nfs/dbraw/zinc/26/95/41/681269541.db2.gz XOVCKAYETXQNRI-UHFFFAOYSA-N 1 1 353.375 2.018 20 10 FECDMO Cc1cc(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000932947500 681333519 /nfs/dbraw/zinc/33/35/19/681333519.db2.gz NFJLVRKYRZIKFK-KRWDZBQOSA-N 1 1 351.516 2.096 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1OC ZINC000848930919 681644059 /nfs/dbraw/zinc/64/40/59/681644059.db2.gz YTTUMFVKBBZGNK-MRXNPFEDSA-N 1 1 350.459 2.096 20 10 FECDMO [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000849078195 681650166 /nfs/dbraw/zinc/65/01/66/681650166.db2.gz VUURRNRQWZILMJ-UHFFFAOYSA-N 1 1 361.273 2.035 20 10 FECDMO COC(=O)[C@@H](O)C1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781906672 681987719 /nfs/dbraw/zinc/98/77/19/681987719.db2.gz AHBZVZFCHVVWIX-HNNXBMFYSA-N 1 1 372.259 2.209 20 10 FECDMO C[C@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C(=O)N1c1cnn(C)c1 ZINC000790970454 682717030 /nfs/dbraw/zinc/71/70/30/682717030.db2.gz JOKPFZSLLMPYTE-ZANVPECISA-N 1 1 352.797 2.202 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[NH+]3CCC(F)(F)CC3)CC2)cc1 ZINC000796543603 683168862 /nfs/dbraw/zinc/16/88/62/683168862.db2.gz YCJWSRQNNHTSIJ-UHFFFAOYSA-N 1 1 353.413 2.075 20 10 FECDMO CNC(=O)CCOC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862251566 683559611 /nfs/dbraw/zinc/55/96/11/683559611.db2.gz HQAURODOPBHTDO-UHFFFAOYSA-N 1 1 355.429 2.148 20 10 FECDMO COC(=O)[C@]12C[N@@H+](Cc3c(O)cccc3Br)C[C@H]1COCC2 ZINC000862352089 683575739 /nfs/dbraw/zinc/57/57/39/683575739.db2.gz YZAUZXIDGXBKPS-MEDUHNTESA-N 1 1 370.243 2.166 20 10 FECDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000862552307 683600818 /nfs/dbraw/zinc/60/08/18/683600818.db2.gz VVBALRLWGUWDRP-AATOQMJSSA-N 1 1 351.516 2.027 20 10 FECDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCN4CCSC[C@@H]34)cc2)CC1 ZINC000922522720 683740125 /nfs/dbraw/zinc/74/01/25/683740125.db2.gz GACRTJBVAHBOMG-UXHICEINSA-N 1 1 360.571 2.108 20 10 FECDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCN4CCSC[C@H]34)cc2)CC1 ZINC000922522725 683740354 /nfs/dbraw/zinc/74/03/54/683740354.db2.gz GACRTJBVAHBOMG-WOJBJXKFSA-N 1 1 360.571 2.108 20 10 FECDMO Fc1cc(C[NH2+]Cc2nc3c(s2)COCC3)ccc1N1CCOCC1 ZINC000922964587 683813026 /nfs/dbraw/zinc/81/30/26/683813026.db2.gz JRQKRRIWQXZPLB-UHFFFAOYSA-N 1 1 363.458 2.481 20 10 FECDMO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cc(C4CC4)no3)cc2)CC1 ZINC000877030430 686314332 /nfs/dbraw/zinc/31/43/32/686314332.db2.gz GOBNMFQJSRTGRC-UHFFFAOYSA-N 1 1 361.467 2.077 20 10 FECDMO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000877799002 686465954 /nfs/dbraw/zinc/46/59/54/686465954.db2.gz HDTBQDHWTUVPAG-XOKHGSTOSA-N 1 1 350.434 2.163 20 10 FECDMO CCOC1CC(C[NH2+][C@@H](C)c2c(O)cccc2F)(N2CCOCC2)C1 ZINC000886600812 688281929 /nfs/dbraw/zinc/28/19/29/688281929.db2.gz BSMRRNUZFVVKBE-XVTSOASTSA-N 1 1 352.450 2.452 20 10 FECDMO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1c(O)cccc1F ZINC000886629650 688284382 /nfs/dbraw/zinc/28/43/82/688284382.db2.gz KQYWRTVERAXJAU-RYUDHWBXSA-N 1 1 351.399 2.417 20 10 FECDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2cccc(Cl)c2O)C1 ZINC000891597047 689081639 /nfs/dbraw/zinc/08/16/39/689081639.db2.gz DWFHRYPGNWQJLR-CQSZACIVSA-N 1 1 355.866 2.202 20 10 FECDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000892030598 689142744 /nfs/dbraw/zinc/14/27/44/689142744.db2.gz BJSVTASTRZKEKY-WMZOPIPTSA-N 1 1 360.527 2.085 20 10 FECDMO CC1(C)[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CS1(=O)=O ZINC000895979723 689802000 /nfs/dbraw/zinc/80/20/00/689802000.db2.gz NBLAZOWYUZSXAB-INIZCTEOSA-N 1 1 367.471 2.250 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1cnc(C)s1)cc2=O ZINC000053154496 540513954 /nfs/dbraw/zinc/51/39/54/540513954.db2.gz MMEHKNDOVLRNKE-UHFFFAOYSA-N 1 1 361.427 2.009 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)Cc1cnc(C)s1)cc2=O ZINC000053154496 540513957 /nfs/dbraw/zinc/51/39/57/540513957.db2.gz MMEHKNDOVLRNKE-UHFFFAOYSA-N 1 1 361.427 2.009 20 10 FECDMO CCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)c1O ZINC000091811066 542826584 /nfs/dbraw/zinc/82/65/84/542826584.db2.gz OERNZVFMUKBYEE-UHFFFAOYSA-N 1 1 356.422 2.455 20 10 FECDMO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@@H](O)CN1CCOCC1 ZINC000093583342 542935229 /nfs/dbraw/zinc/93/52/29/542935229.db2.gz PZDOBAUZRJCJOB-HXUWFJFHSA-N 1 1 356.466 2.184 20 10 FECDMO COc1cccc(CNC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1O ZINC000105649332 543178457 /nfs/dbraw/zinc/17/84/57/543178457.db2.gz DHAKRRIISNCMNT-ZQIUZPCESA-N 1 1 350.459 2.151 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000118532543 543652840 /nfs/dbraw/zinc/65/28/40/543652840.db2.gz AOEXGVWNXKVUFH-MRXNPFEDSA-N 1 1 371.403 2.118 20 10 FECDMO O=C(NCc1cc(Br)ccc1O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000805183096 674324745 /nfs/dbraw/zinc/32/47/45/674324745.db2.gz CBCGVEIPWGYEIY-LBPRGKRZSA-N 1 1 354.248 2.191 20 10 FECDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000177013605 546524098 /nfs/dbraw/zinc/52/40/98/546524098.db2.gz YENAVZUGRYUNME-ZBWUASRJSA-N 1 1 357.498 2.479 20 10 FECDMO C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@H+]1CC(C)(C)O ZINC000187515349 548258851 /nfs/dbraw/zinc/25/88/51/548258851.db2.gz MWQABMPIAFCGLP-KRWDZBQOSA-N 1 1 374.529 2.273 20 10 FECDMO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n(C)n1 ZINC000265129821 550006845 /nfs/dbraw/zinc/00/68/45/550006845.db2.gz MQKOCRVCRWXKCH-MRXNPFEDSA-N 1 1 358.442 2.054 20 10 FECDMO C[C@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C[NH+]1CCOCC1 ZINC000265811309 550014457 /nfs/dbraw/zinc/01/44/57/550014457.db2.gz PBLBTENAKVNYBC-QGZVFWFLSA-N 1 1 374.529 2.395 20 10 FECDMO Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000266528457 550020970 /nfs/dbraw/zinc/02/09/70/550020970.db2.gz KEYXOCKLRCQWOA-UHFFFAOYSA-N 1 1 371.485 2.308 20 10 FECDMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCc1ccc(O)c(O)c1 ZINC000269237235 550170381 /nfs/dbraw/zinc/17/03/81/550170381.db2.gz VAAXHBXKCCNWDX-GOSISDBHSA-N 1 1 370.449 2.048 20 10 FECDMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCc1ccc(O)c(O)c1 ZINC000269237235 550170384 /nfs/dbraw/zinc/17/03/84/550170384.db2.gz VAAXHBXKCCNWDX-GOSISDBHSA-N 1 1 370.449 2.048 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c(O)c1 ZINC000271181680 550349566 /nfs/dbraw/zinc/34/95/66/550349566.db2.gz HTUUYHCBRUGCDZ-CYBMUJFWSA-N 1 1 358.442 2.383 20 10 FECDMO COc1cc(O)c(C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)cc1OC ZINC000271809785 550403575 /nfs/dbraw/zinc/40/35/75/550403575.db2.gz LVPHCZNVDKOTGD-LBPRGKRZSA-N 1 1 351.472 2.018 20 10 FECDMO C[C@H]1C[N@@H+](CCCNC(=O)NCc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000277360564 550660728 /nfs/dbraw/zinc/66/07/28/550660728.db2.gz IICUNUFGAMVETI-HNNXBMFYSA-N 1 1 366.481 2.192 20 10 FECDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278223412 550762436 /nfs/dbraw/zinc/76/24/36/550762436.db2.gz LTHJMPRQDHSXKK-UHFFFAOYSA-N 1 1 359.382 2.301 20 10 FECDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1O ZINC000279507597 550897830 /nfs/dbraw/zinc/89/78/30/550897830.db2.gz WXLMZBASLGFHFO-HNNXBMFYSA-N 1 1 358.891 2.354 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c1 ZINC000285580042 551778100 /nfs/dbraw/zinc/77/81/00/551778100.db2.gz HBIZEFJQKSGTCI-LBPRGKRZSA-N 1 1 355.456 2.187 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(O)c1 ZINC000289338500 552303636 /nfs/dbraw/zinc/30/36/36/552303636.db2.gz HNWRSCMBNOMHKR-MRXNPFEDSA-N 1 1 356.488 2.037 20 10 FECDMO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000293584898 552837927 /nfs/dbraw/zinc/83/79/27/552837927.db2.gz KAHFGLMVYNDHRJ-ABAIWWIYSA-N 1 1 363.838 2.011 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000295112500 552959992 /nfs/dbraw/zinc/95/99/92/552959992.db2.gz LVOXWRWFDOGSFW-ZDUSSCGKSA-N 1 1 374.865 2.372 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+](C)[C@@H](C)CN3CCOCC3)cc2)CC1 ZINC000296102334 553104887 /nfs/dbraw/zinc/10/48/87/553104887.db2.gz UQDDIWZVYWLNHZ-SFHVURJKSA-N 1 1 361.530 2.454 20 10 FECDMO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCn4ccnc43)CC2)cc1 ZINC000296158394 553114523 /nfs/dbraw/zinc/11/45/23/553114523.db2.gz XCHHPGWOSDIHCQ-LJQANCHMSA-N 1 1 355.486 2.138 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000298554461 553439727 /nfs/dbraw/zinc/43/97/27/553439727.db2.gz CRNKDNKPOQVVBZ-OAQYLSRUSA-N 1 1 373.497 2.075 20 10 FECDMO Cc1cc(N2CC[C@H]([N@@H+]3CC=C(c4ccc(N(C)C)cc4)C3)C2=O)n(C)n1 ZINC000361105320 554904614 /nfs/dbraw/zinc/90/46/14/554904614.db2.gz MBUPBMYHHZLCSA-IBGZPJMESA-N 1 1 365.481 2.299 20 10 FECDMO Cc1cc(N2CC[C@H]([N@H+]3CC=C(c4ccc(N(C)C)cc4)C3)C2=O)n(C)n1 ZINC000361105320 554904615 /nfs/dbraw/zinc/90/46/15/554904615.db2.gz MBUPBMYHHZLCSA-IBGZPJMESA-N 1 1 365.481 2.299 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 ZINC000363935952 555217363 /nfs/dbraw/zinc/21/73/63/555217363.db2.gz XTMGCPCKSSRCJV-QGZVFWFLSA-N 1 1 357.458 2.358 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2ccc(-n3ccnc3C)nc2)ccc1[N+](=O)[O-] ZINC000364761008 555395918 /nfs/dbraw/zinc/39/59/18/555395918.db2.gz STWFXBXKTUVFOP-UHFFFAOYSA-N 1 1 369.381 2.488 20 10 FECDMO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC12CCC2 ZINC000370085792 556777057 /nfs/dbraw/zinc/77/70/57/556777057.db2.gz XWVOEYIKXZFSBQ-GFCCVEGCSA-N 1 1 350.371 2.084 20 10 FECDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC12CCC2 ZINC000370085792 556777060 /nfs/dbraw/zinc/77/70/60/556777060.db2.gz XWVOEYIKXZFSBQ-GFCCVEGCSA-N 1 1 350.371 2.084 20 10 FECDMO Cc1noc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CCOCC2)n1 ZINC000370158820 556797402 /nfs/dbraw/zinc/79/74/02/556797402.db2.gz FCXJIRVEYJHSTH-LJQANCHMSA-N 1 1 372.469 2.472 20 10 FECDMO COC(=O)C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000372088767 557377138 /nfs/dbraw/zinc/37/71/38/557377138.db2.gz PHLFOULYDQGDMT-CQSZACIVSA-N 1 1 366.845 2.079 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1O ZINC000372734331 557549638 /nfs/dbraw/zinc/54/96/38/557549638.db2.gz BKBUWYIAFAWRLD-HNNXBMFYSA-N 1 1 371.231 2.238 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1O ZINC000372734331 557549641 /nfs/dbraw/zinc/54/96/41/557549641.db2.gz BKBUWYIAFAWRLD-HNNXBMFYSA-N 1 1 371.231 2.238 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000373910489 557785305 /nfs/dbraw/zinc/78/53/05/557785305.db2.gz ZQWQVKDPGMCCPA-CQSZACIVSA-N 1 1 363.414 2.286 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000373910489 557785308 /nfs/dbraw/zinc/78/53/08/557785308.db2.gz ZQWQVKDPGMCCPA-CQSZACIVSA-N 1 1 363.414 2.286 20 10 FECDMO Cc1cc(=O)n2nc(C[N@H+]3CC=C(c4ccc(N(C)C)cc4)C3)sc2n1 ZINC000374777191 557929782 /nfs/dbraw/zinc/92/97/82/557929782.db2.gz GPMMGTCMCVXVFH-UHFFFAOYSA-N 1 1 367.478 2.425 20 10 FECDMO Cc1cc(=O)n2nc(C[N@@H+]3CC=C(c4ccc(N(C)C)cc4)C3)sc2n1 ZINC000374777191 557929783 /nfs/dbraw/zinc/92/97/83/557929783.db2.gz GPMMGTCMCVXVFH-UHFFFAOYSA-N 1 1 367.478 2.425 20 10 FECDMO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1cccc(F)c1[O-] ZINC000375008199 557963211 /nfs/dbraw/zinc/96/32/11/557963211.db2.gz KYVHBYSTTYLWFF-CABCVRRESA-N 1 1 352.406 2.351 20 10 FECDMO O=C(NC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1)c1ccco1 ZINC000375693029 558068533 /nfs/dbraw/zinc/06/85/33/558068533.db2.gz NVUILEBIOIVLGE-CYBMUJFWSA-N 1 1 358.394 2.356 20 10 FECDMO COc1c(O)c(C[NH+]2CCC(CN3CCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC000375712108 558071351 /nfs/dbraw/zinc/07/13/51/558071351.db2.gz QNNBMIDFTARRAH-UHFFFAOYSA-N 1 1 363.414 2.143 20 10 FECDMO O=C1CO[C@@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]2N1 ZINC000377228052 558293403 /nfs/dbraw/zinc/29/34/03/558293403.db2.gz YYVGLCLXIFGVLP-AZUAARDMSA-N 1 1 368.433 2.061 20 10 FECDMO O=C(c1ccoc1)N1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000378337177 558532612 /nfs/dbraw/zinc/53/26/12/558532612.db2.gz YPKMHFHLEBJFKK-UHFFFAOYSA-N 1 1 369.465 2.464 20 10 FECDMO CC[C@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CC[N@H+]1C[C@H](C)O ZINC000472219562 561021283 /nfs/dbraw/zinc/02/12/83/561021283.db2.gz GWBPMLUOSREULB-RDJZCZTQSA-N 1 1 372.513 2.473 20 10 FECDMO C[N@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)Cc1ccccc1O ZINC000821618227 599638659 /nfs/dbraw/zinc/63/86/59/599638659.db2.gz WKQCDAZWZANURM-UHFFFAOYSA-N 1 1 363.381 2.254 20 10 FECDMO C[N@@H+](Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)Cc1ccccc1O ZINC000821618227 599638660 /nfs/dbraw/zinc/63/86/60/599638660.db2.gz WKQCDAZWZANURM-UHFFFAOYSA-N 1 1 363.381 2.254 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1O ZINC000092100485 670734452 /nfs/dbraw/zinc/73/44/52/670734452.db2.gz XEUXKRWQPBPFJE-LBPRGKRZSA-N 1 1 371.275 2.464 20 10 FECDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093610628 670753828 /nfs/dbraw/zinc/75/38/28/670753828.db2.gz MNAZAXNJNIRWNF-QGZVFWFLSA-N 1 1 350.484 2.004 20 10 FECDMO COc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000119481518 671900588 /nfs/dbraw/zinc/90/05/88/671900588.db2.gz HFIDTGCRNYNGRV-LBPRGKRZSA-N 1 1 350.440 2.241 20 10 FECDMO CCc1cc(C[N@H+]2CC[C@H](S(=O)(=O)NC)C2)c(O)c(C(C)(C)C)c1 ZINC000138333829 672143955 /nfs/dbraw/zinc/14/39/55/672143955.db2.gz CHUYDYDEVMNFDZ-HNNXBMFYSA-N 1 1 354.516 2.376 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@@H](C)CCSC)CC2)cc1 ZINC000172432669 672341860 /nfs/dbraw/zinc/34/18/60/672341860.db2.gz GOQYZGYJCZKKOO-INIZCTEOSA-N 1 1 365.543 2.417 20 10 FECDMO CC[N@@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1cc(Br)ccc1O ZINC000174426656 672361075 /nfs/dbraw/zinc/36/10/75/672361075.db2.gz JZFXAHSINDTKPI-LBPRGKRZSA-N 1 1 371.275 2.224 20 10 FECDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000325846481 673051265 /nfs/dbraw/zinc/05/12/65/673051265.db2.gz ZFLKVPNWVFWZLP-XJKSGUPXSA-N 1 1 351.878 2.126 20 10 FECDMO O=C(NC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000325846481 673051272 /nfs/dbraw/zinc/05/12/72/673051272.db2.gz ZFLKVPNWVFWZLP-XJKSGUPXSA-N 1 1 351.878 2.126 20 10 FECDMO CC[N@H+](Cc1ccc(Br)cc1O)[C@H](C)CS(C)(=O)=O ZINC000824808538 675622864 /nfs/dbraw/zinc/62/28/64/675622864.db2.gz KWKZQJIATMWXHV-SNVBAGLBSA-N 1 1 350.278 2.410 20 10 FECDMO CC[N@@H+](Cc1ccc(Br)cc1O)[C@H](C)CS(C)(=O)=O ZINC000824808538 675622865 /nfs/dbraw/zinc/62/28/65/675622865.db2.gz KWKZQJIATMWXHV-SNVBAGLBSA-N 1 1 350.278 2.410 20 10 FECDMO C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(Br)cc3[O-])C2)CC1 ZINC000825261151 675644122 /nfs/dbraw/zinc/64/41/22/675644122.db2.gz XONGMJUXNPWHSC-OAHLLOKOSA-N 1 1 368.319 2.413 20 10 FECDMO CCN1CCN(c2ccc(CNC(=O)CCCCC[NH3+])cc2F)CC1 ZINC000828883709 675850373 /nfs/dbraw/zinc/85/03/73/675850373.db2.gz RFXHBFJPIQXGBV-UHFFFAOYSA-N 1 1 350.482 2.103 20 10 FECDMO Cc1cc(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)ccc1N(C)C ZINC000830462290 677041179 /nfs/dbraw/zinc/04/11/79/677041179.db2.gz QBJOIHXROBRESZ-MRXNPFEDSA-N 1 1 351.491 2.378 20 10 FECDMO Cc1cc(O)c(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c(Cl)c1 ZINC000840910447 680852254 /nfs/dbraw/zinc/85/22/54/680852254.db2.gz MSBFCAGMTROQIW-UHFFFAOYSA-N 1 1 360.845 2.170 20 10 FECDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840976432 680858283 /nfs/dbraw/zinc/85/82/83/680858283.db2.gz FMZNSCDZPAVAID-HNNXBMFYSA-N 1 1 368.474 2.000 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000835025420 680286803 /nfs/dbraw/zinc/28/68/03/680286803.db2.gz UOQUFSVORIPAHE-AATOQMJSSA-N 1 1 351.516 2.027 20 10 FECDMO C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756450955 680479828 /nfs/dbraw/zinc/47/98/28/680479828.db2.gz WPVKQDATQSNYRL-ZYHUDNBSSA-N 1 1 361.255 2.401 20 10 FECDMO CN(CC[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)C(=O)OC(C)(C)C ZINC000768459966 680947671 /nfs/dbraw/zinc/94/76/71/680947671.db2.gz IPSINAJCURFOMV-OAHLLOKOSA-N 1 1 352.431 2.117 20 10 FECDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769007513 680967717 /nfs/dbraw/zinc/96/77/17/680967717.db2.gz UOODLKVOOOFTTQ-HOCLYGCPSA-N 1 1 351.466 2.255 20 10 FECDMO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(F)cc1O ZINC000842882489 680973383 /nfs/dbraw/zinc/97/33/83/680973383.db2.gz GYIZNQYONJEGDN-WCQYABFASA-N 1 1 351.399 2.417 20 10 FECDMO COc1cc(O)c(C[N@H+](C)CC(=O)NCc2cccs2)cc1OC ZINC000775696986 681324985 /nfs/dbraw/zinc/32/49/85/681324985.db2.gz RWWGMKWPFDCXBQ-UHFFFAOYSA-N 1 1 350.440 2.219 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)CC(=O)NCc2cccs2)cc1OC ZINC000775696986 681324991 /nfs/dbraw/zinc/32/49/91/681324991.db2.gz RWWGMKWPFDCXBQ-UHFFFAOYSA-N 1 1 350.440 2.219 20 10 FECDMO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1O ZINC000934263219 681537763 /nfs/dbraw/zinc/53/77/63/681537763.db2.gz NLPNIFNBJPDYFA-DLBZAZTESA-N 1 1 352.862 2.279 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1 ZINC000850563691 681917501 /nfs/dbraw/zinc/91/75/01/681917501.db2.gz ZXEHJAYHWMMESE-DJJJIMSYSA-N 1 1 351.443 2.397 20 10 FECDMO COc1cc(Br)cc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1O ZINC000793590696 682897396 /nfs/dbraw/zinc/89/73/96/682897396.db2.gz ODFSARBCVRTRMR-NWDGAFQWSA-N 1 1 373.291 2.050 20 10 FECDMO COc1ccc(CNC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC000794381813 682963755 /nfs/dbraw/zinc/96/37/55/682963755.db2.gz OPRDRQMBRHEFJI-DEYYWGMASA-N 1 1 350.459 2.151 20 10 FECDMO CN(C)c1cc(F)c(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1F ZINC000862239333 683556996 /nfs/dbraw/zinc/55/69/96/683556996.db2.gz CACMSNPBDSCYBL-MRXNPFEDSA-N 1 1 352.473 2.243 20 10 FECDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862419651 683588771 /nfs/dbraw/zinc/58/87/71/683588771.db2.gz RHMGPYGNVOBGAP-NSHDSACASA-N 1 1 356.264 2.342 20 10 FECDMO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000862485405 683594611 /nfs/dbraw/zinc/59/46/11/683594611.db2.gz MRJPFFSLWLITIL-CHWSQXEVSA-N 1 1 350.843 2.135 20 10 FECDMO COc1cc(Cl)cc(C[NH2+]C(c2ccnn2C)c2ccnn2C)c1O ZINC000862539274 683598988 /nfs/dbraw/zinc/59/89/88/683598988.db2.gz LIIGEPCYFHKRNC-UHFFFAOYSA-N 1 1 361.833 2.400 20 10 FECDMO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925167334 684534218 /nfs/dbraw/zinc/53/42/18/684534218.db2.gz PPAWBXOXVATQRR-ZIAGYGMSSA-N 1 1 355.891 2.425 20 10 FECDMO C[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000925788571 684585814 /nfs/dbraw/zinc/58/58/14/684585814.db2.gz KEOKEZPQPHTBBD-ZJUUUORDSA-N 1 1 367.298 2.126 20 10 FECDMO OCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CCSCC1 ZINC000877572378 686412098 /nfs/dbraw/zinc/41/20/98/686412098.db2.gz DMYOKEUPRHIXIU-UHFFFAOYSA-N 1 1 350.528 2.338 20 10 FECDMO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000883133956 687574396 /nfs/dbraw/zinc/57/43/96/687574396.db2.gz LNWBUSMIXPSFHS-UHFFFAOYSA-N 1 1 356.394 2.211 20 10 FECDMO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1c(O)cccc1F ZINC000886629648 688284644 /nfs/dbraw/zinc/28/46/44/688284644.db2.gz KQYWRTVERAXJAU-NEPJUHHUSA-N 1 1 351.399 2.417 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000896840461 689937743 /nfs/dbraw/zinc/93/77/43/689937743.db2.gz TWRZBFMWTGAVQM-LLVKDONJSA-N 1 1 363.336 2.425 20 10 FECDMO O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C12CC[NH+](CC1)C2 ZINC000901127564 690616381 /nfs/dbraw/zinc/61/63/81/690616381.db2.gz LGJGQUKIEHEHMW-INIZCTEOSA-N 1 1 363.889 2.222 20 10 FECDMO CC(C)[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+]1CCOCC1 ZINC000045634564 540219198 /nfs/dbraw/zinc/21/91/98/540219198.db2.gz MSMCSPNLWZSROO-IBGZPJMESA-N 1 1 362.518 2.251 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c1O ZINC000085857237 542733000 /nfs/dbraw/zinc/73/30/00/542733000.db2.gz LLOAGWAXABKMCE-IAGOWNOFSA-N 1 1 350.434 2.155 20 10 FECDMO COc1ccc(N2CCN(c3cncc(-n4cc[nH+]c4C)n3)CC2)cc1F ZINC000092920609 542895535 /nfs/dbraw/zinc/89/55/35/542895535.db2.gz UWOWGQKNBRKRFG-UHFFFAOYSA-N 1 1 368.416 2.445 20 10 FECDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093147325 542913244 /nfs/dbraw/zinc/91/32/44/542913244.db2.gz YSWWXSFIFAVUAH-JOCHJYFZSA-N 1 1 372.557 2.125 20 10 FECDMO C[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000108453762 543290580 /nfs/dbraw/zinc/29/05/80/543290580.db2.gz PNMALPAEOCYXNP-SFHVURJKSA-N 1 1 358.530 2.175 20 10 FECDMO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccccc1O ZINC000109769697 543338656 /nfs/dbraw/zinc/33/86/56/543338656.db2.gz HYXBNKRTGHHJQO-UHFFFAOYSA-N 1 1 355.438 2.299 20 10 FECDMO Cn1cc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000134269240 544300874 /nfs/dbraw/zinc/30/08/74/544300874.db2.gz SPMVFYOQWFYXRA-MRXNPFEDSA-N 1 1 362.861 2.102 20 10 FECDMO O=C(C[C@H]1COC(=O)C1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269623 544300984 /nfs/dbraw/zinc/30/09/84/544300984.db2.gz AEPZZRWNKALUGG-DOMZBBRYSA-N 1 1 366.845 2.079 20 10 FECDMO C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CC[N@H+]1C ZINC000805187851 674325011 /nfs/dbraw/zinc/32/50/11/674325011.db2.gz YFNVQBWWTVXBHF-MFKMUULPSA-N 1 1 356.264 2.437 20 10 FECDMO COc1ccc(N2CCCN(C(=O)NC[C@H](C)[N@@H+](C)C3CC3)CC2)cc1 ZINC000171695512 546219469 /nfs/dbraw/zinc/21/94/69/546219469.db2.gz YPYVTUPXPVBYEW-INIZCTEOSA-N 1 1 360.502 2.400 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1OC ZINC000180727846 547168124 /nfs/dbraw/zinc/16/81/24/547168124.db2.gz VSFXBVPPKJFIKL-ACJLOTCBSA-N 1 1 361.442 2.089 20 10 FECDMO COc1cccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1O ZINC000182297020 547469149 /nfs/dbraw/zinc/46/91/49/547469149.db2.gz FXDHFDSHWQUJAT-INIZCTEOSA-N 1 1 368.499 2.227 20 10 FECDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1[O-] ZINC000182961632 547580025 /nfs/dbraw/zinc/58/00/25/547580025.db2.gz DBDSSSOJEIEWLD-UHFFFAOYSA-N 1 1 353.894 2.318 20 10 FECDMO Cc1cc(Cl)cc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c1O ZINC000191940123 548354213 /nfs/dbraw/zinc/35/42/13/548354213.db2.gz FLMIHMIGUMHBNO-UHFFFAOYSA-N 1 1 372.918 2.049 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)cc1 ZINC000193927509 548407408 /nfs/dbraw/zinc/40/74/08/548407408.db2.gz JKDFWAHUGAZSJJ-UHFFFAOYSA-N 1 1 366.465 2.295 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)cc1 ZINC000193927509 548407415 /nfs/dbraw/zinc/40/74/15/548407415.db2.gz JKDFWAHUGAZSJJ-UHFFFAOYSA-N 1 1 366.465 2.295 20 10 FECDMO Oc1cc2c(cc1C[NH+]1CCN(Cc3ccc(Cl)nc3)CC1)OCO2 ZINC000265396199 550009306 /nfs/dbraw/zinc/00/93/06/550009306.db2.gz WINXUKDDKCVSHN-UHFFFAOYSA-N 1 1 361.829 2.487 20 10 FECDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000266892776 550025323 /nfs/dbraw/zinc/02/53/23/550025323.db2.gz YTXJYOVGCTXQML-IBGZPJMESA-N 1 1 374.529 2.482 20 10 FECDMO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000268441582 550066486 /nfs/dbraw/zinc/06/64/86/550066486.db2.gz RTOKVYSAYKJMOI-UHFFFAOYSA-N 1 1 357.292 2.480 20 10 FECDMO CN(C)c1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cc1 ZINC000270554079 550283153 /nfs/dbraw/zinc/28/31/53/550283153.db2.gz HTUYKIIQYLCJPW-UHFFFAOYSA-N 1 1 356.426 2.487 20 10 FECDMO CCCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000271104261 550341112 /nfs/dbraw/zinc/34/11/12/550341112.db2.gz QUCCQXOFQJPDPD-CQSZACIVSA-N 1 1 357.472 2.199 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1OC ZINC000271891967 550409257 /nfs/dbraw/zinc/40/92/57/550409257.db2.gz XHAOSQPQSQYRHN-SUMWQHHRSA-N 1 1 357.472 2.197 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2cccc(OC)c2)c1 ZINC000273364166 550495917 /nfs/dbraw/zinc/49/59/17/550495917.db2.gz AXRPKOLNSSSSKM-ZDUSSCGKSA-N 1 1 372.421 2.268 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c1 ZINC000273369886 550495977 /nfs/dbraw/zinc/49/59/77/550495977.db2.gz FVHKWAMVYSTCNT-AWEZNQCLSA-N 1 1 356.422 2.488 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1 ZINC000273559503 550503169 /nfs/dbraw/zinc/50/31/69/550503169.db2.gz HTNLWOYCTFTXET-OAHLLOKOSA-N 1 1 362.470 2.474 20 10 FECDMO CC[N@@H+](CCNC(=O)NCc1cccc(Br)c1O)C1CC1 ZINC000277430227 550669630 /nfs/dbraw/zinc/66/96/30/550669630.db2.gz LUMBWGRBGFDGMF-UHFFFAOYSA-N 1 1 356.264 2.438 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277743018 550709231 /nfs/dbraw/zinc/70/92/31/550709231.db2.gz KZPJHQSUBPYKCW-PBHICJAKSA-N 1 1 373.419 2.004 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277743018 550709233 /nfs/dbraw/zinc/70/92/33/550709233.db2.gz KZPJHQSUBPYKCW-PBHICJAKSA-N 1 1 373.419 2.004 20 10 FECDMO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@]12CCCO2 ZINC000278106204 550749870 /nfs/dbraw/zinc/74/98/70/550749870.db2.gz ARWLRXZHPWQYDN-VBQJREDUSA-N 1 1 352.387 2.125 20 10 FECDMO COc1c(O)c(C[NH2+]CC2(N3CCCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000278917684 550835713 /nfs/dbraw/zinc/83/57/13/550835713.db2.gz UJSZNVJLPGKAKL-UHFFFAOYSA-N 1 1 365.430 2.044 20 10 FECDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289383456 552312065 /nfs/dbraw/zinc/31/20/65/552312065.db2.gz MRXHUGQENLPCAU-CYBMUJFWSA-N 1 1 367.402 2.410 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1)cc2=O ZINC000289859981 552390669 /nfs/dbraw/zinc/39/06/69/552390669.db2.gz QRHGRLBDHHPQIG-ZBFHGGJFSA-N 1 1 374.441 2.001 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1)cc2=O ZINC000289859981 552390670 /nfs/dbraw/zinc/39/06/70/552390670.db2.gz QRHGRLBDHHPQIG-ZBFHGGJFSA-N 1 1 374.441 2.001 20 10 FECDMO Cc1cc(C[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)ccc1N(C)C ZINC000293758822 552853415 /nfs/dbraw/zinc/85/34/15/552853415.db2.gz JSRWDOFHUQOYRG-UHFFFAOYSA-N 1 1 354.454 2.120 20 10 FECDMO CCOc1cccc(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000295128736 552961891 /nfs/dbraw/zinc/96/18/91/552961891.db2.gz OEWCIZOFNCKVFL-AWEZNQCLSA-N 1 1 354.447 2.108 20 10 FECDMO CCOCCN1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000297336459 553279932 /nfs/dbraw/zinc/27/99/32/553279932.db2.gz AQFNDAAVTWPUQB-UHFFFAOYSA-N 1 1 361.530 2.456 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCN(C(=O)c3ccccn3)CC2)cc1OC ZINC000362381449 554967874 /nfs/dbraw/zinc/96/78/74/554967874.db2.gz ZLEQHLJEIQCKLX-UHFFFAOYSA-N 1 1 371.437 2.153 20 10 FECDMO COc1ccc(O)c([C@H](C)[N@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000364641369 555360333 /nfs/dbraw/zinc/36/03/33/555360333.db2.gz YJRMVZGPZVRFRH-HNNXBMFYSA-N 1 1 363.502 2.384 20 10 FECDMO COc1c(O)c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000365116902 555489179 /nfs/dbraw/zinc/48/91/79/555489179.db2.gz MZUMFELTWZCDDN-HNNXBMFYSA-N 1 1 366.414 2.469 20 10 FECDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000369639502 556654859 /nfs/dbraw/zinc/65/48/59/556654859.db2.gz OXFKCKODXKKALR-SFHVURJKSA-N 1 1 359.514 2.208 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)ccc1[N+](=O)[O-] ZINC000370094119 556779288 /nfs/dbraw/zinc/77/92/88/556779288.db2.gz WTPKFAIVKOZMCB-ZDUSSCGKSA-N 1 1 373.413 2.105 20 10 FECDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000373259126 557660568 /nfs/dbraw/zinc/66/05/68/557660568.db2.gz HVPZWUYVSIPWOX-INIZCTEOSA-N 1 1 372.513 2.074 20 10 FECDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000373587389 557724262 /nfs/dbraw/zinc/72/42/62/557724262.db2.gz WUECLYWNKRUJDK-RBUKOAKNSA-N 1 1 362.470 2.066 20 10 FECDMO CCc1nc(CN2CCC[C@H]([N@@H+](C)Cc3cc(OC)ccc3O)C2)no1 ZINC000374999755 557961892 /nfs/dbraw/zinc/96/18/92/557961892.db2.gz RWSVJAXMMLWSGJ-HNNXBMFYSA-N 1 1 360.458 2.443 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375440550 558027510 /nfs/dbraw/zinc/02/75/10/558027510.db2.gz WXWMATZIFSKTSD-MRXNPFEDSA-N 1 1 369.469 2.119 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375440550 558027511 /nfs/dbraw/zinc/02/75/11/558027511.db2.gz WXWMATZIFSKTSD-MRXNPFEDSA-N 1 1 369.469 2.119 20 10 FECDMO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000377691661 558398800 /nfs/dbraw/zinc/39/88/00/558398800.db2.gz HVHNANUYEMGOCY-JKSUJKDBSA-N 1 1 352.406 2.401 20 10 FECDMO CCOC(=O)C1(S(C)(=O)=O)CC[NH+]([C@@H](CC)c2ccccc2O)CC1 ZINC000377693978 558399425 /nfs/dbraw/zinc/39/94/25/558399425.db2.gz KJZMNGHQJSYEKX-HNNXBMFYSA-N 1 1 369.483 2.286 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC(C)(C)C(N)=O)C1 ZINC000444032423 560099485 /nfs/dbraw/zinc/09/94/85/560099485.db2.gz KTEKSPNUZJHELS-UHFFFAOYSA-N 1 1 370.497 2.036 20 10 FECDMO c1cc(-c2nn[nH]n2)oc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000823757271 599408444 /nfs/dbraw/zinc/40/84/44/599408444.db2.gz NSAORGFGCYHFQU-UHFFFAOYSA-N 1 1 356.455 2.303 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000809785314 674509871 /nfs/dbraw/zinc/50/98/71/674509871.db2.gz VFQVFNNTJLTRHE-AWEZNQCLSA-N 1 1 368.499 2.085 20 10 FECDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000816537412 675063565 /nfs/dbraw/zinc/06/35/65/675063565.db2.gz DYZTULJECGQFLX-MRXNPFEDSA-N 1 1 360.882 2.482 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000131049937 672083271 /nfs/dbraw/zinc/08/32/71/672083271.db2.gz RJTDKETZMLPVER-AYLIAGHASA-N 1 1 350.278 2.362 20 10 FECDMO O=S1(=O)CC[C@H]([N@H+](Cc2cc(Br)ccc2O)C2CC2)C1 ZINC000156987711 672253182 /nfs/dbraw/zinc/25/31/82/672253182.db2.gz ONARMWKFNSMBMN-ZDUSSCGKSA-N 1 1 360.273 2.306 20 10 FECDMO O=S1(=O)CC[C@H]([N@@H+](Cc2cc(Br)ccc2O)C2CC2)C1 ZINC000156987711 672253183 /nfs/dbraw/zinc/25/31/83/672253183.db2.gz ONARMWKFNSMBMN-ZDUSSCGKSA-N 1 1 360.273 2.306 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1F ZINC000159401271 672281514 /nfs/dbraw/zinc/28/15/14/672281514.db2.gz OKBFARXHAGNVQC-OAHLLOKOSA-N 1 1 357.495 2.186 20 10 FECDMO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000185194940 672522524 /nfs/dbraw/zinc/52/25/24/672522524.db2.gz AECHBEZRJXHCLS-CYBMUJFWSA-N 1 1 352.431 2.469 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)C(F)(F)F)CC2)cc1 ZINC000742591225 673731617 /nfs/dbraw/zinc/73/16/17/673731617.db2.gz XBVWQWGSWRTWCZ-CYBMUJFWSA-N 1 1 359.392 2.132 20 10 FECDMO CCCCNC(=S)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742911110 673741760 /nfs/dbraw/zinc/74/17/60/673741760.db2.gz SYOSZGMGKQBNDA-UHFFFAOYSA-N 1 1 350.532 2.081 20 10 FECDMO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825519797 675657379 /nfs/dbraw/zinc/65/73/79/675657379.db2.gz MMVXHGCUWLDLPR-ZDUSSCGKSA-N 1 1 354.248 2.191 20 10 FECDMO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825519797 675657380 /nfs/dbraw/zinc/65/73/80/675657380.db2.gz MMVXHGCUWLDLPR-ZDUSSCGKSA-N 1 1 354.248 2.191 20 10 FECDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(Br)cc1O ZINC000825885457 675672675 /nfs/dbraw/zinc/67/26/75/675672675.db2.gz GRCNAXRJIWDXOR-WFASDCNBSA-N 1 1 355.276 2.450 20 10 FECDMO Oc1ccc(Br)cc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000827699587 675773564 /nfs/dbraw/zinc/77/35/64/675773564.db2.gz JIYVMUCXGYKIPN-OAHLLOKOSA-N 1 1 355.276 2.186 20 10 FECDMO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000761237150 680716351 /nfs/dbraw/zinc/71/63/51/680716351.db2.gz GPRCQVPDWRFOSD-OAHLLOKOSA-N 1 1 363.845 2.294 20 10 FECDMO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839015107 680732905 /nfs/dbraw/zinc/73/29/05/680732905.db2.gz LFQRALBFEJSZND-GJZGRUSLSA-N 1 1 369.303 2.367 20 10 FECDMO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839015107 680732907 /nfs/dbraw/zinc/73/29/07/680732907.db2.gz LFQRALBFEJSZND-GJZGRUSLSA-N 1 1 369.303 2.367 20 10 FECDMO CC(C)(C)OC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000764866299 680823052 /nfs/dbraw/zinc/82/30/52/680823052.db2.gz CRRODCDMXRZFQQ-CQSZACIVSA-N 1 1 368.861 2.468 20 10 FECDMO Cc1cc(O)c(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(Cl)c1 ZINC000840918949 680853290 /nfs/dbraw/zinc/85/32/90/680853290.db2.gz ONYDCTPDRAWEEZ-MRXNPFEDSA-N 1 1 351.878 2.092 20 10 FECDMO C[C@@H](NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918939 680859374 /nfs/dbraw/zinc/85/93/74/680859374.db2.gz YOZPGLHAQRXTBU-NVXWUHKLSA-N 1 1 366.937 2.073 20 10 FECDMO C[C@@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918939 680859375 /nfs/dbraw/zinc/85/93/75/680859375.db2.gz YOZPGLHAQRXTBU-NVXWUHKLSA-N 1 1 366.937 2.073 20 10 FECDMO O=S(=O)(CC1CC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000751374497 680170085 /nfs/dbraw/zinc/17/00/85/680170085.db2.gz YDRKQVNBTCKORC-HNNXBMFYSA-N 1 1 358.891 2.339 20 10 FECDMO O=S(=O)(CC1CC1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000751374497 680170086 /nfs/dbraw/zinc/17/00/86/680170086.db2.gz YDRKQVNBTCKORC-HNNXBMFYSA-N 1 1 358.891 2.339 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)c1 ZINC000756356141 680474095 /nfs/dbraw/zinc/47/40/95/680474095.db2.gz ZNVYTTHSCZQQLC-HOCLYGCPSA-N 1 1 350.459 2.186 20 10 FECDMO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cscn1 ZINC000768107412 680938146 /nfs/dbraw/zinc/93/81/46/680938146.db2.gz XDDCOOGJMHBWFW-CYBMUJFWSA-N 1 1 351.497 2.229 20 10 FECDMO CCOc1ccc(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c(O)c1 ZINC000769003816 680967522 /nfs/dbraw/zinc/96/75/22/680967522.db2.gz GKPBBTGNFFREQN-GOEBONIOSA-N 1 1 350.459 2.154 20 10 FECDMO COc1ccc(N2CC[NH+](CCNc3nccc(SC)n3)CC2)cc1 ZINC000845478380 681131306 /nfs/dbraw/zinc/13/13/06/681131306.db2.gz XVTMGTWOVFVJNI-UHFFFAOYSA-N 1 1 359.499 2.441 20 10 FECDMO O=C(NCc1cc(Cl)ccc1O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000846474722 681246288 /nfs/dbraw/zinc/24/62/88/681246288.db2.gz AWXNETJMODJBHF-IBGZPJMESA-N 1 1 360.841 2.299 20 10 FECDMO COc1c(O)c(C[NH2+]CCCN2CCCCCC2=O)ccc1[N+](=O)[O-] ZINC000774942238 681254784 /nfs/dbraw/zinc/25/47/84/681254784.db2.gz JMDQEPXCEOQINU-UHFFFAOYSA-N 1 1 351.403 2.191 20 10 FECDMO CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC(F)(F)C[NH3+])cc1 ZINC000846676870 681274740 /nfs/dbraw/zinc/27/47/40/681274740.db2.gz JTJDTMBTLVFEMM-MRXNPFEDSA-N 1 1 355.429 2.244 20 10 FECDMO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cccc(Br)c2O)C1 ZINC000775204520 681284567 /nfs/dbraw/zinc/28/45/67/681284567.db2.gz ORJWNAWUZBHYKA-OCCSQVGLSA-N 1 1 374.275 2.001 20 10 FECDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000775204520 681284572 /nfs/dbraw/zinc/28/45/72/681284572.db2.gz ORJWNAWUZBHYKA-OCCSQVGLSA-N 1 1 374.275 2.001 20 10 FECDMO NC(=O)CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000779812413 681755933 /nfs/dbraw/zinc/75/59/33/681755933.db2.gz LVBFELYTFBNZHY-OAHLLOKOSA-N 1 1 367.877 2.172 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000781902233 681987040 /nfs/dbraw/zinc/98/70/40/681987040.db2.gz OXSXSQNSTYCRJZ-CYBMUJFWSA-N 1 1 368.275 2.453 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000781902233 681987042 /nfs/dbraw/zinc/98/70/42/681987042.db2.gz OXSXSQNSTYCRJZ-CYBMUJFWSA-N 1 1 368.275 2.453 20 10 FECDMO C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(Br)cc1O ZINC000790740624 682698506 /nfs/dbraw/zinc/69/85/06/682698506.db2.gz ZNITXSFXONBUAK-VIFPVBQESA-N 1 1 353.220 2.127 20 10 FECDMO CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(=O)OC ZINC000790788477 682701871 /nfs/dbraw/zinc/70/18/71/682701871.db2.gz YUJAZIBLUZOXTB-HUUCEWRRSA-N 1 1 368.861 2.325 20 10 FECDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000793360854 682885027 /nfs/dbraw/zinc/88/50/27/682885027.db2.gz AVSUGFYDRIIYRD-DNVCBOLYSA-N 1 1 350.434 2.042 20 10 FECDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000793360854 682885028 /nfs/dbraw/zinc/88/50/28/682885028.db2.gz AVSUGFYDRIIYRD-DNVCBOLYSA-N 1 1 350.434 2.042 20 10 FECDMO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000796512080 683166836 /nfs/dbraw/zinc/16/68/36/683166836.db2.gz CIVDCFNEGRNJTR-SNVBAGLBSA-N 1 1 350.843 2.088 20 10 FECDMO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000862475547 683594476 /nfs/dbraw/zinc/59/44/76/683594476.db2.gz OFUCNTBRWPSOHQ-HNNXBMFYSA-N 1 1 358.232 2.227 20 10 FECDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000862475547 683594480 /nfs/dbraw/zinc/59/44/80/683594480.db2.gz OFUCNTBRWPSOHQ-HNNXBMFYSA-N 1 1 358.232 2.227 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)cc1F ZINC000862550968 683600471 /nfs/dbraw/zinc/60/04/71/683600471.db2.gz IGYCRVFCLKTLQR-MRXNPFEDSA-N 1 1 371.522 2.433 20 10 FECDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000862552310 683600862 /nfs/dbraw/zinc/60/08/62/683600862.db2.gz VVBALRLWGUWDRP-YXMMZVCTSA-N 1 1 351.516 2.027 20 10 FECDMO C[C@@H](C[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)NC(=O)OC(C)(C)C ZINC000863333012 683706826 /nfs/dbraw/zinc/70/68/26/683706826.db2.gz NEUXBPYBGGSOMI-XHDPSFHLSA-N 1 1 352.431 2.163 20 10 FECDMO C[C@H](C[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)NC(=O)OC(C)(C)C ZINC000863333010 683707101 /nfs/dbraw/zinc/70/71/01/683707101.db2.gz NEUXBPYBGGSOMI-IAQYHMDHSA-N 1 1 352.431 2.163 20 10 FECDMO C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cccc(C(F)(F)F)c1O ZINC000866521790 684115100 /nfs/dbraw/zinc/11/51/00/684115100.db2.gz PBSYJEGKGUWIGR-ZUZCIYMTSA-N 1 1 360.332 2.283 20 10 FECDMO CCN1CCN(c2ccc(C[NH2+][C@H]3CCC3(OC)OC)cc2F)CC1 ZINC000924995897 684514163 /nfs/dbraw/zinc/51/41/63/684514163.db2.gz KAKBUTMDXQBYFQ-SFHVURJKSA-N 1 1 351.466 2.209 20 10 FECDMO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@H](O)C1 ZINC000883196767 687585392 /nfs/dbraw/zinc/58/53/92/687585392.db2.gz VRYRUZSNEXGGSM-ZIAGYGMSSA-N 1 1 358.385 2.130 20 10 FECDMO COc1ccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c(O)c1OC ZINC000891918181 689126341 /nfs/dbraw/zinc/12/63/41/689126341.db2.gz VZMLCNBDVNGYOX-MRXNPFEDSA-N 1 1 350.459 2.096 20 10 FECDMO C[NH+]1CCN(CCCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895709655 689758255 /nfs/dbraw/zinc/75/82/55/689758255.db2.gz AECLVSQOPRTVKK-UHFFFAOYSA-N 1 1 363.483 2.070 20 10 FECDMO COc1ccc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c(O)c1OC ZINC000897178606 689985019 /nfs/dbraw/zinc/98/50/19/689985019.db2.gz BWNAHRFGVNBELG-HNNXBMFYSA-N 1 1 351.443 2.163 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1O ZINC000079434360 542518776 /nfs/dbraw/zinc/51/87/76/542518776.db2.gz CRPXZJXRONWIPP-HNNXBMFYSA-N 1 1 350.434 2.278 20 10 FECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079550751 542526726 /nfs/dbraw/zinc/52/67/26/542526726.db2.gz FISHYYJQBJCORY-WOJBJXKFSA-N 1 1 372.513 2.291 20 10 FECDMO c1cc(N2CCOCC2)ccc1CN1CCC[N@H+](C2CCOCC2)CC1 ZINC000093513127 542932440 /nfs/dbraw/zinc/93/24/40/542932440.db2.gz CUDOOLLBGPRDMV-UHFFFAOYSA-N 1 1 359.514 2.210 20 10 FECDMO C[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccccc1O ZINC000109768923 543338623 /nfs/dbraw/zinc/33/86/23/543338623.db2.gz BDLRZKBUNVMWKG-UHFFFAOYSA-N 1 1 359.451 2.112 20 10 FECDMO C[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccccc1O ZINC000109768923 543338624 /nfs/dbraw/zinc/33/86/24/543338624.db2.gz BDLRZKBUNVMWKG-UHFFFAOYSA-N 1 1 359.451 2.112 20 10 FECDMO CCC[N@H+](Cc1cccc(Br)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000802656322 674190389 /nfs/dbraw/zinc/19/03/89/674190389.db2.gz NRSNULIQZXXDQS-LBPRGKRZSA-N 1 1 355.232 2.124 20 10 FECDMO CCC[N@@H+](Cc1cccc(Br)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000802656322 674190391 /nfs/dbraw/zinc/19/03/91/674190391.db2.gz NRSNULIQZXXDQS-LBPRGKRZSA-N 1 1 355.232 2.124 20 10 FECDMO CCN(C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1)S(C)(=O)=O ZINC000124212187 543807271 /nfs/dbraw/zinc/80/72/71/543807271.db2.gz SWWRZWVBGMBFFX-UHFFFAOYSA-N 1 1 357.495 2.138 20 10 FECDMO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C[N@H+]1C1CC1 ZINC000127840484 544017128 /nfs/dbraw/zinc/01/71/28/544017128.db2.gz KWZWSWBXNJCHNH-AEFFLSMTSA-N 1 1 372.513 2.290 20 10 FECDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccc[n+]1[O-] ZINC000158048226 545815921 /nfs/dbraw/zinc/81/59/21/545815921.db2.gz GMZDOOOVKXKYSB-HNNXBMFYSA-N 1 1 361.829 2.073 20 10 FECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccc[n+]1[O-] ZINC000158048226 545815927 /nfs/dbraw/zinc/81/59/27/545815927.db2.gz GMZDOOOVKXKYSB-HNNXBMFYSA-N 1 1 361.829 2.073 20 10 FECDMO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCN(C)[C@@H](C)C3)CC2)cc1 ZINC000162784939 546141699 /nfs/dbraw/zinc/14/16/99/546141699.db2.gz XCRDRLLMLJBTBX-RBUKOAKNSA-N 1 1 360.546 2.280 20 10 FECDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)CCN12 ZINC000183120982 547605144 /nfs/dbraw/zinc/60/51/44/547605144.db2.gz OLIPKARJWQXEAO-QGZVFWFLSA-N 1 1 353.422 2.181 20 10 FECDMO O=C(C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1)N1CCOCC1 ZINC000191183380 548341744 /nfs/dbraw/zinc/34/17/44/548341744.db2.gz ANCGCXZCGRPYQZ-UHFFFAOYSA-N 1 1 356.825 2.256 20 10 FECDMO COc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000266633316 550022498 /nfs/dbraw/zinc/02/24/98/550022498.db2.gz AGWUWWVDJFFFBF-QGZVFWFLSA-N 1 1 355.438 2.475 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@@H](CC)CSC)cc2=O ZINC000271609221 550389782 /nfs/dbraw/zinc/38/97/82/550389782.db2.gz VCHVGPBCFXWESB-LBPRGKRZSA-N 1 1 352.460 2.185 20 10 FECDMO COc1cc(O)c(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)cc1OC ZINC000272777962 550470405 /nfs/dbraw/zinc/47/04/05/550470405.db2.gz AWMDGSCEPRGBOT-UHFFFAOYSA-N 1 1 358.442 2.138 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)c1 ZINC000273361403 550495442 /nfs/dbraw/zinc/49/54/42/550495442.db2.gz DCCTXVMRDXOXRK-LBPRGKRZSA-N 1 1 360.385 2.399 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278253179 550765783 /nfs/dbraw/zinc/76/57/83/550765783.db2.gz PIWKUYHVSZKVEL-CYBMUJFWSA-N 1 1 365.430 2.293 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278253179 550765785 /nfs/dbraw/zinc/76/57/85/550765785.db2.gz PIWKUYHVSZKVEL-CYBMUJFWSA-N 1 1 365.430 2.293 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)/C=C/c3cncs3)CC2)cc1 ZINC000282476047 551234332 /nfs/dbraw/zinc/23/43/32/551234332.db2.gz SCECHIXPXPPLNU-VOTSOKGWSA-N 1 1 372.494 2.103 20 10 FECDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000282573353 551247952 /nfs/dbraw/zinc/24/79/52/551247952.db2.gz ZWBZMWUMOPERJZ-OAHLLOKOSA-N 1 1 361.486 2.120 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C(C)(C)c1c(C)noc1C)cc2=O ZINC000285463224 551760261 /nfs/dbraw/zinc/76/02/61/551760261.db2.gz AJGWTTWFOHWTRA-UHFFFAOYSA-N 1 1 373.413 2.241 20 10 FECDMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000286042057 551842032 /nfs/dbraw/zinc/84/20/32/551842032.db2.gz QNYREARWAWUVIX-UHFFFAOYSA-N 1 1 355.438 2.337 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](CSC)C1)cc2=O ZINC000292513022 552733784 /nfs/dbraw/zinc/73/37/84/552733784.db2.gz VRWBLBULKMTZGL-LBPRGKRZSA-N 1 1 364.471 2.187 20 10 FECDMO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000292812753 552761013 /nfs/dbraw/zinc/76/10/13/552761013.db2.gz OXCYMCFAJCRRQH-LLVKDONJSA-N 1 1 362.289 2.330 20 10 FECDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000292812753 552761014 /nfs/dbraw/zinc/76/10/14/552761014.db2.gz OXCYMCFAJCRRQH-LLVKDONJSA-N 1 1 362.289 2.330 20 10 FECDMO Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cn2cc[nH+]c12 ZINC000293196864 552798237 /nfs/dbraw/zinc/79/82/37/552798237.db2.gz YVIVRKWEFFRLNE-UHFFFAOYSA-N 1 1 365.437 2.306 20 10 FECDMO CCOc1ccc(O)c(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)c1 ZINC000294080958 552880401 /nfs/dbraw/zinc/88/04/01/552880401.db2.gz YZOZFJBOBHMLAY-UHFFFAOYSA-N 1 1 350.440 2.070 20 10 FECDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)c1 ZINC000294080958 552880404 /nfs/dbraw/zinc/88/04/04/552880404.db2.gz YZOZFJBOBHMLAY-UHFFFAOYSA-N 1 1 350.440 2.070 20 10 FECDMO COc1c(O)c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)ccc1[N+](=O)[O-] ZINC000294697141 552927732 /nfs/dbraw/zinc/92/77/32/552927732.db2.gz CTJSGMFSNUWGIQ-GXTWGEPZSA-N 1 1 371.393 2.090 20 10 FECDMO COc1c(O)c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)ccc1[N+](=O)[O-] ZINC000294697141 552927734 /nfs/dbraw/zinc/92/77/34/552927734.db2.gz CTJSGMFSNUWGIQ-GXTWGEPZSA-N 1 1 371.393 2.090 20 10 FECDMO C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890335 554893840 /nfs/dbraw/zinc/89/38/40/554893840.db2.gz XXOKMCOSGLIHBW-CGTJXYLNSA-N 1 1 363.477 2.176 20 10 FECDMO C[C@H](NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890335 554893841 /nfs/dbraw/zinc/89/38/41/554893841.db2.gz XXOKMCOSGLIHBW-CGTJXYLNSA-N 1 1 363.477 2.176 20 10 FECDMO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)c1O ZINC000364900804 555431627 /nfs/dbraw/zinc/43/16/27/555431627.db2.gz LBVUGTKOTHCMPR-CYBMUJFWSA-N 1 1 358.442 2.205 20 10 FECDMO C[C@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cccc(O)c1O ZINC000365758772 555661059 /nfs/dbraw/zinc/66/10/59/555661059.db2.gz PKWIPUBFEFRXFK-BEFAXECRSA-N 1 1 370.449 2.459 20 10 FECDMO C[C@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cccc(O)c1O ZINC000365758772 555661061 /nfs/dbraw/zinc/66/10/61/555661061.db2.gz PKWIPUBFEFRXFK-BEFAXECRSA-N 1 1 370.449 2.459 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(c3cnccn3)CC2)cc1 ZINC000367018090 555998672 /nfs/dbraw/zinc/99/86/72/555998672.db2.gz ZYBKIOPLLXWIBA-UHFFFAOYSA-N 1 1 353.470 2.038 20 10 FECDMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000371419242 557180690 /nfs/dbraw/zinc/18/06/90/557180690.db2.gz SZZFRCCWWUPVPN-HXUWFJFHSA-N 1 1 355.486 2.396 20 10 FECDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000372081582 557375618 /nfs/dbraw/zinc/37/56/18/557375618.db2.gz OHZOURMOFSYEAE-RTWAWAEBSA-N 1 1 357.498 2.499 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000373203543 557649528 /nfs/dbraw/zinc/64/95/28/557649528.db2.gz GGGBYAJVZNNMQO-YOEHRIQHSA-N 1 1 372.425 2.487 20 10 FECDMO Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1 ZINC000374678736 557915732 /nfs/dbraw/zinc/91/57/32/557915732.db2.gz KQCLBRXUAPEKFL-QGZVFWFLSA-N 1 1 351.406 2.354 20 10 FECDMO Cc1ccc(O)c(C[N@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1 ZINC000374678736 557915733 /nfs/dbraw/zinc/91/57/33/557915733.db2.gz KQCLBRXUAPEKFL-QGZVFWFLSA-N 1 1 351.406 2.354 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)ccc1[N+](=O)[O-] ZINC000375420478 558024145 /nfs/dbraw/zinc/02/41/45/558024145.db2.gz VJYBLRFRILCKIL-HBUWYVDXSA-N 1 1 366.414 2.061 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)ccc1[N+](=O)[O-] ZINC000375420478 558024146 /nfs/dbraw/zinc/02/41/46/558024146.db2.gz VJYBLRFRILCKIL-HBUWYVDXSA-N 1 1 366.414 2.061 20 10 FECDMO COc1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1O ZINC000377701572 558400863 /nfs/dbraw/zinc/40/08/63/558400863.db2.gz UBUSTSPCLCYTAJ-JKSUJKDBSA-N 1 1 364.442 2.270 20 10 FECDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000378357792 558537795 /nfs/dbraw/zinc/53/77/95/558537795.db2.gz XGTMUGRAENQRCS-OAHLLOKOSA-N 1 1 368.865 2.166 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C)c1 ZINC000806661912 674385503 /nfs/dbraw/zinc/38/55/03/674385503.db2.gz GUZBDLIYQGATFX-FZMZJTMJSA-N 1 1 354.472 2.039 20 10 FECDMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826291516 608854678 /nfs/dbraw/zinc/85/46/78/608854678.db2.gz JQXRMYCAELYTDS-SFHVURJKSA-N 1 1 351.410 2.454 20 10 FECDMO CON(C)C(=O)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000812779696 674697379 /nfs/dbraw/zinc/69/73/79/674697379.db2.gz FVNZNKUPCRTJMB-UHFFFAOYSA-N 1 1 357.248 2.387 20 10 FECDMO c1cc(N2CCSCC2)ccc1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817890032 675185403 /nfs/dbraw/zinc/18/54/03/675185403.db2.gz WCJFRRJHCSPRIM-XUVXKRRUSA-N 1 1 361.555 2.487 20 10 FECDMO CN(C)c1ccc(CN(C(=O)NCC[NH+]2CCSCC2)C2CC2)cc1 ZINC000732892059 673388524 /nfs/dbraw/zinc/38/85/24/673388524.db2.gz PUYMMEZNQBSGHX-UHFFFAOYSA-N 1 1 362.543 2.475 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)CCC(C)(F)F)CC2)cc1 ZINC000742919417 673742081 /nfs/dbraw/zinc/74/20/81/673742081.db2.gz IIVBIWHCVOXYRI-UHFFFAOYSA-N 1 1 355.429 2.369 20 10 FECDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000819824451 675316405 /nfs/dbraw/zinc/31/64/05/675316405.db2.gz KSYJYXXHPLTZCG-CVEARBPZSA-N 1 1 359.495 2.437 20 10 FECDMO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066094 675410962 /nfs/dbraw/zinc/41/09/62/675410962.db2.gz VHNMEVPZJMPWNO-PBHICJAKSA-N 1 1 365.905 2.468 20 10 FECDMO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066094 675410965 /nfs/dbraw/zinc/41/09/65/675410965.db2.gz VHNMEVPZJMPWNO-PBHICJAKSA-N 1 1 365.905 2.468 20 10 FECDMO COc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1O ZINC000824832333 675624539 /nfs/dbraw/zinc/62/45/39/675624539.db2.gz XTQWDZMLISSEME-DGCLKSJQSA-N 1 1 358.360 2.243 20 10 FECDMO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1OC ZINC000825068509 675635416 /nfs/dbraw/zinc/63/54/16/675635416.db2.gz REHGAYBQBJEDNO-LBPRGKRZSA-N 1 1 358.385 2.145 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1OC ZINC000825068509 675635418 /nfs/dbraw/zinc/63/54/18/675635418.db2.gz REHGAYBQBJEDNO-LBPRGKRZSA-N 1 1 358.385 2.145 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c1O ZINC000825130486 675638234 /nfs/dbraw/zinc/63/82/34/675638234.db2.gz YWBYGDXRJCEXIK-GXFFZTMASA-N 1 1 360.248 2.135 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c1O ZINC000826845339 675709841 /nfs/dbraw/zinc/70/98/41/675709841.db2.gz JARVFBCKJURKKE-NSHDSACASA-N 1 1 367.247 2.277 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@](CO)(OC)C2)c1O ZINC000826952057 675718106 /nfs/dbraw/zinc/71/81/06/675718106.db2.gz FRFTYQPQLXKMKR-OAHLLOKOSA-N 1 1 360.248 2.137 20 10 FECDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC[N@@H+]1C ZINC000827096290 675728812 /nfs/dbraw/zinc/72/88/12/675728812.db2.gz TVWATMHJSDRFIL-XOKHGSTOSA-N 1 1 365.905 2.466 20 10 FECDMO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC[N@H+]1C ZINC000827096290 675728814 /nfs/dbraw/zinc/72/88/14/675728814.db2.gz TVWATMHJSDRFIL-XOKHGSTOSA-N 1 1 365.905 2.466 20 10 FECDMO C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756561617 680485782 /nfs/dbraw/zinc/48/57/82/680485782.db2.gz FYNYSHZUUBWBHV-GFCCVEGCSA-N 1 1 355.429 2.264 20 10 FECDMO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Cl)cc1O ZINC000841749315 680910231 /nfs/dbraw/zinc/91/02/31/680910231.db2.gz CILFXSNPUOHURY-PSVSLLHZSA-N 1 1 351.834 2.417 20 10 FECDMO Cc1cc(Br)cc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1O ZINC000841891829 680916728 /nfs/dbraw/zinc/91/67/28/680916728.db2.gz PSFPVVYRNONGTB-QWHCGFSZSA-N 1 1 357.292 2.350 20 10 FECDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769007515 680967794 /nfs/dbraw/zinc/96/77/94/680967794.db2.gz UOODLKVOOOFTTQ-ZBFHGGJFSA-N 1 1 351.466 2.255 20 10 FECDMO [NH3+][C@H]1CCN(Cc2cc(Br)cc(Br)c2O)C1 ZINC000843047419 680984581 /nfs/dbraw/zinc/98/45/81/680984581.db2.gz USOJVSSTJKXXGZ-VIFPVBQESA-N 1 1 350.054 2.450 20 10 FECDMO [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000843125220 680989281 /nfs/dbraw/zinc/98/92/81/680989281.db2.gz OKNDFWMPKPNSEB-ZBFHGGJFSA-N 1 1 355.276 2.483 20 10 FECDMO [NH3+]CC(F)(F)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000846672219 681274693 /nfs/dbraw/zinc/27/46/93/681274693.db2.gz DGKPFUYRTXKWND-UHFFFAOYSA-N 1 1 363.355 2.357 20 10 FECDMO O=C1[C@H]([NH2+]Cc2cccc(Br)c2O)CCN1C1CCOCC1 ZINC000776231111 681374907 /nfs/dbraw/zinc/37/49/07/681374907.db2.gz LSNKCIDYWSMHRX-CQSZACIVSA-N 1 1 369.259 2.024 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934337452 681554791 /nfs/dbraw/zinc/55/47/91/681554791.db2.gz XBNUSZOJVRIDFW-MRXNPFEDSA-N 1 1 358.511 2.390 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1 ZINC000850563693 681917387 /nfs/dbraw/zinc/91/73/87/681917387.db2.gz ZXEHJAYHWMMESE-YJYMSZOUSA-N 1 1 351.443 2.397 20 10 FECDMO CN(C)c1cc(F)c(C[NH2+]CCNS(=O)(=O)c2ccccc2)cc1F ZINC000858114061 682935141 /nfs/dbraw/zinc/93/51/41/682935141.db2.gz UPSUTTAHSVYLBL-UHFFFAOYSA-N 1 1 369.437 2.099 20 10 FECDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000863340263 683708519 /nfs/dbraw/zinc/70/85/19/683708519.db2.gz JLWDYSLUWDYGNT-CYBMUJFWSA-N 1 1 370.515 2.157 20 10 FECDMO O[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C[C@@H]1O ZINC000877750351 686449395 /nfs/dbraw/zinc/44/93/95/686449395.db2.gz OFUMUSKMFDRWOL-SJORKVTESA-N 1 1 369.303 2.367 20 10 FECDMO O[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C[C@@H]1O ZINC000877750351 686449397 /nfs/dbraw/zinc/44/93/97/686449397.db2.gz OFUMUSKMFDRWOL-SJORKVTESA-N 1 1 369.303 2.367 20 10 FECDMO Cn1ccnc1[C@](O)(CC[NH2+]Cc1cc(F)cc(F)c1O)C(F)(F)F ZINC000882914325 687526852 /nfs/dbraw/zinc/52/68/52/687526852.db2.gz OUUSESVLXIANET-CQSZACIVSA-N 1 1 365.302 2.334 20 10 FECDMO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895836607 689777820 /nfs/dbraw/zinc/77/78/20/689777820.db2.gz NTRXOUVIJIZADP-INIZCTEOSA-N 1 1 362.367 2.409 20 10 FECDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc2cc(O)c(O)cc2s1 ZINC000897234745 689992385 /nfs/dbraw/zinc/99/23/85/689992385.db2.gz IVMGKGYHDRHKPS-CYBMUJFWSA-N 1 1 364.467 2.279 20 10 FECDMO CN(C)c1cc(F)c(C[NH+]2CCC(CN3CCNC3=O)CC2)cc1F ZINC000897580148 690043222 /nfs/dbraw/zinc/04/32/22/690043222.db2.gz ICSVDKVDXGVSMI-UHFFFAOYSA-N 1 1 352.429 2.268 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCOC[C@H]2CC2CCOCC2)cc1OC ZINC000902668558 690795656 /nfs/dbraw/zinc/79/56/56/690795656.db2.gz CFWRGXCZGFVMPD-MRXNPFEDSA-N 1 1 351.443 2.427 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)cc1OC ZINC000905700050 691164562 /nfs/dbraw/zinc/16/45/62/691164562.db2.gz DGJWBUMCHZIRJR-FZKQIMNGSA-N 1 1 350.415 2.120 20 10 FECDMO CC[N@@H+](CCOCCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000800532482 674059991 /nfs/dbraw/zinc/05/99/91/674059991.db2.gz XEWNAMHZPALVRL-UHFFFAOYSA-N 1 1 351.447 2.416 20 10 FECDMO COc1cccc(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000092585677 542872982 /nfs/dbraw/zinc/87/29/82/542872982.db2.gz YGGGYTSXFNYXDF-GFCCVEGCSA-N 1 1 350.440 2.241 20 10 FECDMO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000093011535 542901797 /nfs/dbraw/zinc/90/17/97/542901797.db2.gz MBLSPWOMIBNLFP-OAQYLSRUSA-N 1 1 359.514 2.210 20 10 FECDMO COCCOc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109772733 543338529 /nfs/dbraw/zinc/33/85/29/543338529.db2.gz AEOACJOXAZIICF-UHFFFAOYSA-N 1 1 358.438 2.166 20 10 FECDMO C[C@](O)(C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000804461349 674288149 /nfs/dbraw/zinc/28/81/49/674288149.db2.gz XNBPKCPMTLPCJQ-MAUKXSAKSA-N 1 1 352.862 2.287 20 10 FECDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccc[n+]1[O-] ZINC000158048089 545816354 /nfs/dbraw/zinc/81/63/54/545816354.db2.gz GMZDOOOVKXKYSB-OAHLLOKOSA-N 1 1 361.829 2.073 20 10 FECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccc[n+]1[O-] ZINC000158048089 545816358 /nfs/dbraw/zinc/81/63/58/545816358.db2.gz GMZDOOOVKXKYSB-OAHLLOKOSA-N 1 1 361.829 2.073 20 10 FECDMO COc1cccc(CNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1O ZINC000175939554 546377044 /nfs/dbraw/zinc/37/70/44/546377044.db2.gz PCSIRPXVPRXFOE-UHFFFAOYSA-N 1 1 361.417 2.471 20 10 FECDMO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1 ZINC000246881342 549233641 /nfs/dbraw/zinc/23/36/41/549233641.db2.gz BBWRLTIYLFTLSH-VQIMIIECSA-N 1 1 355.486 2.148 20 10 FECDMO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CSC[NH2+]1 ZINC000269273650 550175184 /nfs/dbraw/zinc/17/51/84/550175184.db2.gz VDGOKTPCSSOWKM-RISCZKNCSA-N 1 1 357.426 2.036 20 10 FECDMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(O)c1O ZINC000273065284 550483499 /nfs/dbraw/zinc/48/34/99/550483499.db2.gz ZBYLODJPEHNVRF-FUHWJXTLSA-N 1 1 370.449 2.019 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000273499778 550500598 /nfs/dbraw/zinc/50/05/98/550500598.db2.gz PYMYJFRXECVENS-GXFFZTMASA-N 1 1 374.359 2.383 20 10 FECDMO O=C(NCc1cccc(Br)c1O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000277276964 550650909 /nfs/dbraw/zinc/65/09/09/550650909.db2.gz AOFWFYPSRROVDR-NSHDSACASA-N 1 1 368.275 2.438 20 10 FECDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000282540520 551244020 /nfs/dbraw/zinc/24/40/20/551244020.db2.gz VYXPGVPACZTRJT-HNNXBMFYSA-N 1 1 361.486 2.107 20 10 FECDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)C(C)(C)n3cncn3)cc2F)CC1 ZINC000283856856 551439030 /nfs/dbraw/zinc/43/90/30/551439030.db2.gz BKLFDHIMTVFHAJ-INIZCTEOSA-N 1 1 374.508 2.473 20 10 FECDMO CC[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(F)cc1O ZINC000286288446 551870231 /nfs/dbraw/zinc/87/02/31/551870231.db2.gz WCWCTYYEAHNWLB-ZBFHGGJFSA-N 1 1 374.478 2.061 20 10 FECDMO COc1ccc(C(=O)N2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC000289756529 552373559 /nfs/dbraw/zinc/37/35/59/552373559.db2.gz JNCDKWUVRRGNHD-UHFFFAOYSA-N 1 1 356.422 2.367 20 10 FECDMO Cc1cc(N2CC[C@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2=O)n(C)n1 ZINC000293733199 552851247 /nfs/dbraw/zinc/85/12/47/552851247.db2.gz WOPIJEXPLJSOCS-ZDUSSCGKSA-N 1 1 352.797 2.122 20 10 FECDMO CCCOc1ccc(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)c(O)c1 ZINC000293804369 552857887 /nfs/dbraw/zinc/85/78/87/552857887.db2.gz DMBMQZDLOSPSEN-UHFFFAOYSA-N 1 1 364.467 2.460 20 10 FECDMO CCCOc1ccc(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)c(O)c1 ZINC000293804369 552857888 /nfs/dbraw/zinc/85/78/88/552857888.db2.gz DMBMQZDLOSPSEN-UHFFFAOYSA-N 1 1 364.467 2.460 20 10 FECDMO COc1cc(N2CC[NH+](Cc3cccnc3N)CC2)cc(OC)c1OC ZINC000295836772 553065705 /nfs/dbraw/zinc/06/57/05/553065705.db2.gz WPLOSDGWRLPBPD-UHFFFAOYSA-N 1 1 358.442 2.012 20 10 FECDMO O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2N1 ZINC000301792522 553679534 /nfs/dbraw/zinc/67/95/34/553679534.db2.gz RGSJBMXEOBVJER-WFASDCNBSA-N 1 1 372.425 2.379 20 10 FECDMO Cc1cc(N2CC[C@@H]([N@@H+]3CC=C(c4ccc(N(C)C)cc4)C3)C2=O)n(C)n1 ZINC000361105321 554904499 /nfs/dbraw/zinc/90/44/99/554904499.db2.gz MBUPBMYHHZLCSA-LJQANCHMSA-N 1 1 365.481 2.299 20 10 FECDMO Cc1cc(N2CC[C@@H]([N@H+]3CC=C(c4ccc(N(C)C)cc4)C3)C2=O)n(C)n1 ZINC000361105321 554904501 /nfs/dbraw/zinc/90/45/01/554904501.db2.gz MBUPBMYHHZLCSA-LJQANCHMSA-N 1 1 365.481 2.299 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000364446318 555315715 /nfs/dbraw/zinc/31/57/15/555315715.db2.gz JVNFICQAXQLWPY-HNNXBMFYSA-N 1 1 371.393 2.200 20 10 FECDMO COc1c(O)c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000365817428 555674261 /nfs/dbraw/zinc/67/42/61/555674261.db2.gz IJSBVEICVQXRCW-ZDUSSCGKSA-N 1 1 366.414 2.327 20 10 FECDMO CCCOc1ccc(C[N@H+]2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c(O)c1 ZINC000366536750 555870846 /nfs/dbraw/zinc/87/08/46/555870846.db2.gz SUPXJCGGPNPFLZ-LJQANCHMSA-N 1 1 361.442 2.086 20 10 FECDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)c1 ZINC000368052288 556204287 /nfs/dbraw/zinc/20/42/87/556204287.db2.gz VCGVSSDOEYVKOF-KDOFPFPSSA-N 1 1 362.470 2.469 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000368972677 556463934 /nfs/dbraw/zinc/46/39/34/556463934.db2.gz HHFNGFVFLXDFEA-BHYNMZESSA-N 1 1 369.259 2.249 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000368972677 556463937 /nfs/dbraw/zinc/46/39/37/556463937.db2.gz HHFNGFVFLXDFEA-BHYNMZESSA-N 1 1 369.259 2.249 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369373454 556583231 /nfs/dbraw/zinc/58/32/31/556583231.db2.gz PFLKEGBEWNPLEE-GOSISDBHSA-N 1 1 374.529 2.482 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369373454 556583234 /nfs/dbraw/zinc/58/32/34/556583234.db2.gz PFLKEGBEWNPLEE-GOSISDBHSA-N 1 1 374.529 2.482 20 10 FECDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCc1ccc2c(c1)CCN2C ZINC000372448127 557473152 /nfs/dbraw/zinc/47/31/52/557473152.db2.gz WFFZWTDGAWMXEF-UHFFFAOYSA-N 1 1 374.529 2.179 20 10 FECDMO O=C(c1ccc[nH]1)N1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000372510820 557489156 /nfs/dbraw/zinc/48/91/56/557489156.db2.gz DMFWYUIKRPYLFR-UHFFFAOYSA-N 1 1 368.481 2.199 20 10 FECDMO C[C@H]1CN(C(=O)C2CC[NH+](Cc3cccc(F)c3O)CC2)C[C@H](C)O1 ZINC000378498468 558570255 /nfs/dbraw/zinc/57/02/55/558570255.db2.gz SIVTWOQGWOYMRM-KBPBESRZSA-N 1 1 350.434 2.379 20 10 FECDMO C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccccc1O ZINC000735558853 598617920 /nfs/dbraw/zinc/61/79/20/598617920.db2.gz GNEQWMYQBUNJQF-LBPRGKRZSA-N 1 1 352.398 2.031 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000809718577 674507092 /nfs/dbraw/zinc/50/70/92/674507092.db2.gz LOKCXRNLQIKSIS-RUZDIDTESA-N 1 1 364.423 2.477 20 10 FECDMO C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000833812608 605993137 /nfs/dbraw/zinc/99/31/37/605993137.db2.gz KPUJHAOMCIYRGZ-FUHWJXTLSA-N 1 1 360.502 2.307 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC000814171318 674824001 /nfs/dbraw/zinc/82/40/01/674824001.db2.gz KEPNGZRKTWOICA-HNNXBMFYSA-N 1 1 357.495 2.138 20 10 FECDMO CC[N@@H+](CCC(=O)N1CCOCC1)Cc1cc(Br)ccc1O ZINC000076118517 670541901 /nfs/dbraw/zinc/54/19/01/670541901.db2.gz RWTRCOWOLPRVNX-UHFFFAOYSA-N 1 1 371.275 2.226 20 10 FECDMO C[N@@H+](Cc1ccc(Br)cc1O)CC(C)(C)S(C)(=O)=O ZINC000713911477 673071123 /nfs/dbraw/zinc/07/11/23/673071123.db2.gz BVHQCUDOGUPYDC-UHFFFAOYSA-N 1 1 350.278 2.410 20 10 FECDMO C[N@H+](Cc1ccc(Br)cc1O)CC(C)(C)S(C)(=O)=O ZINC000713911477 673071119 /nfs/dbraw/zinc/07/11/19/673071119.db2.gz BVHQCUDOGUPYDC-UHFFFAOYSA-N 1 1 350.278 2.410 20 10 FECDMO C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000729683769 673243979 /nfs/dbraw/zinc/24/39/79/673243979.db2.gz ACRTZRLJDXSPPS-UHFFFAOYSA-N 1 1 356.854 2.071 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=S)NC(C)(C)C)CC2)cc1 ZINC000742911097 673741796 /nfs/dbraw/zinc/74/17/96/673741796.db2.gz RWPKCMBCPXQROY-UHFFFAOYSA-N 1 1 350.532 2.080 20 10 FECDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1 ZINC000822575711 675492924 /nfs/dbraw/zinc/49/29/24/675492924.db2.gz WQGJTYBPCKWXQB-QGZVFWFLSA-N 1 1 351.491 2.412 20 10 FECDMO COc1cc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000824776213 675621426 /nfs/dbraw/zinc/62/14/26/675621426.db2.gz FQMHXIPYFFVMQL-CYBMUJFWSA-N 1 1 370.515 2.199 20 10 FECDMO O=S1(=O)CC[C@H](CC[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000760855660 680703446 /nfs/dbraw/zinc/70/34/46/680703446.db2.gz HAQHIHIGNNPZRR-RDJZCZTQSA-N 1 1 353.484 2.198 20 10 FECDMO Oc1cc(F)c(Cl)cc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000839165028 680742199 /nfs/dbraw/zinc/74/21/99/680742199.db2.gz JJHPNKZLAJFRFI-UHFFFAOYSA-N 1 1 358.841 2.156 20 10 FECDMO O=C(NCc1cccc(Br)c1O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000764783749 680821041 /nfs/dbraw/zinc/82/10/41/680821041.db2.gz LYCWJVCIDZXZAN-ZDUSSCGKSA-N 1 1 368.275 2.438 20 10 FECDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840976436 680858336 /nfs/dbraw/zinc/85/83/36/680858336.db2.gz WFOJTQYAPQQDLK-LJQANCHMSA-N 1 1 350.434 2.437 20 10 FECDMO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841044543 680860853 /nfs/dbraw/zinc/86/08/53/680860853.db2.gz CPDXXMQALLZFBC-KXBFYZLASA-N 1 1 361.511 2.204 20 10 FECDMO [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)nn1 ZINC000841098932 680863251 /nfs/dbraw/zinc/86/32/51/680863251.db2.gz AGZQODUQHOJOEA-ZDUSSCGKSA-N 1 1 366.263 2.042 20 10 FECDMO O=S1(=O)CCCN1CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000749294967 680036913 /nfs/dbraw/zinc/03/69/13/680036913.db2.gz AGEAASOMLFYQPJ-UHFFFAOYSA-N 1 1 350.440 2.023 20 10 FECDMO O=S1(=O)CCCN1CC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000749294967 680036916 /nfs/dbraw/zinc/03/69/16/680036916.db2.gz AGEAASOMLFYQPJ-UHFFFAOYSA-N 1 1 350.440 2.023 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000756366054 680474557 /nfs/dbraw/zinc/47/45/57/680474557.db2.gz DKSQPWFOPGTUSQ-ZNMIVQPWSA-N 1 1 350.459 2.329 20 10 FECDMO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cc(F)cc(F)c3O)C2=O)n(C)n1 ZINC000756732896 680495581 /nfs/dbraw/zinc/49/55/81/680495581.db2.gz NSMKGSOODHZVQJ-YGRLFVJLSA-N 1 1 350.369 2.168 20 10 FECDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC000844736685 681078781 /nfs/dbraw/zinc/07/87/81/681078781.db2.gz DUQWAFIERWKIJL-LRDDRELGSA-N 1 1 351.443 2.461 20 10 FECDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@H](C)O1 ZINC000844736685 681078783 /nfs/dbraw/zinc/07/87/83/681078783.db2.gz DUQWAFIERWKIJL-LRDDRELGSA-N 1 1 351.443 2.461 20 10 FECDMO NC(=O)CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000779812412 681755997 /nfs/dbraw/zinc/75/59/97/681755997.db2.gz LVBFELYTFBNZHY-HNNXBMFYSA-N 1 1 367.877 2.172 20 10 FECDMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cccc(Br)c2O)n1 ZINC000858327069 682957376 /nfs/dbraw/zinc/95/73/76/682957376.db2.gz KSWDYCPAJXQOBY-WCQYABFASA-N 1 1 354.204 2.466 20 10 FECDMO O=C(COCC(F)F)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000860242446 683221937 /nfs/dbraw/zinc/22/19/37/683221937.db2.gz RKBHZKCPNVMKSG-CYBMUJFWSA-N 1 1 362.804 2.408 20 10 FECDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862326463 683569071 /nfs/dbraw/zinc/56/90/71/683569071.db2.gz OIXVXVJBBKJLBU-LLVKDONJSA-N 1 1 354.248 2.191 20 10 FECDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862394937 683583704 /nfs/dbraw/zinc/58/37/04/683583704.db2.gz TZQURXGQVPWHEC-SNVBAGLBSA-N 1 1 360.273 2.493 20 10 FECDMO O=C(CCc1cn[nH]c1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000863897789 683785343 /nfs/dbraw/zinc/78/53/43/683785343.db2.gz VZKYYZDRCMCRIP-MRXNPFEDSA-N 1 1 362.861 2.482 20 10 FECDMO CCN1CCN(c2ccc(C[NH2+]C3CCN(OC)CC3)cc2F)CC1 ZINC000924996173 684514519 /nfs/dbraw/zinc/51/45/19/684514519.db2.gz PIRZMBSZOGUXPR-UHFFFAOYSA-N 1 1 350.482 2.083 20 10 FECDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@@H]21 ZINC000870982223 684777601 /nfs/dbraw/zinc/77/76/01/684777601.db2.gz MABOKEGZLZYEIK-PBHICJAKSA-N 1 1 356.495 2.482 20 10 FECDMO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc(Br)cc3O)C2)C1 ZINC000877712732 686442942 /nfs/dbraw/zinc/44/29/42/686442942.db2.gz SLQUOOITGGGCQS-OAHLLOKOSA-N 1 1 369.215 2.049 20 10 FECDMO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccc(Br)cc3O)C2)C1 ZINC000877712732 686442945 /nfs/dbraw/zinc/44/29/45/686442945.db2.gz SLQUOOITGGGCQS-OAHLLOKOSA-N 1 1 369.215 2.049 20 10 FECDMO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000877799003 686466004 /nfs/dbraw/zinc/46/60/04/686466004.db2.gz HDTBQDHWTUVPAG-XYPHTWIQSA-N 1 1 350.434 2.163 20 10 FECDMO CN(C)C(=O)COc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882902039 687525668 /nfs/dbraw/zinc/52/56/68/687525668.db2.gz XENNESGHVLPRNL-UHFFFAOYSA-N 1 1 350.365 2.427 20 10 FECDMO CCCC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000891477831 689066446 /nfs/dbraw/zinc/06/64/46/689066446.db2.gz PAEZKFATTUCDBC-AWEZNQCLSA-N 1 1 357.472 2.199 20 10 FECDMO COc1ccc(C[N@H+]2CCCN(c3nc(C)ns3)CC2)c(O)c1OC ZINC000892126642 689154073 /nfs/dbraw/zinc/15/40/73/689154073.db2.gz HBKLIZFCTFTTKB-UHFFFAOYSA-N 1 1 364.471 2.282 20 10 FECDMO COC(=O)c1c(C[NH2+]CCS(=O)(=O)C(C)C)c2cc(F)ccc2n1C ZINC000894786141 689595595 /nfs/dbraw/zinc/59/55/95/689595595.db2.gz FQFJGWYNZPWHJZ-UHFFFAOYSA-N 1 1 370.446 2.017 20 10 FECDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1CS(N)(=O)=O ZINC000897612165 690049048 /nfs/dbraw/zinc/04/90/48/690049048.db2.gz OOSCJWCVQYNWQZ-WBVHZDCISA-N 1 1 351.516 2.033 20 10 FECDMO COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@@H+]2Cc2cc(OC)c(C)cc2O)O1 ZINC000902536638 690775943 /nfs/dbraw/zinc/77/59/43/690775943.db2.gz IRRIKAAIWNGERK-BQFCYCMXSA-N 1 1 351.443 2.104 20 10 FECDMO COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@H+]2Cc2cc(OC)c(C)cc2O)O1 ZINC000902536638 690775947 /nfs/dbraw/zinc/77/59/47/690775947.db2.gz IRRIKAAIWNGERK-BQFCYCMXSA-N 1 1 351.443 2.104 20 10 FECDMO C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000903291228 690878711 /nfs/dbraw/zinc/87/87/11/690878711.db2.gz SFKFLXLYQAGBLR-LLVKDONJSA-N 1 1 366.405 2.487 20 10 FECDMO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)Cc1ccccc1O ZINC000111235255 543388289 /nfs/dbraw/zinc/38/82/89/543388289.db2.gz PBZQMDZZIPGZFQ-ZBFHGGJFSA-N 1 1 356.422 2.169 20 10 FECDMO Cn1cc(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)cn1 ZINC000126039044 543914610 /nfs/dbraw/zinc/91/46/10/543914610.db2.gz XZGUAZMXUFBTMP-UHFFFAOYSA-N 1 1 351.248 2.210 20 10 FECDMO O=S(=O)(CCCF)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161827373 546133915 /nfs/dbraw/zinc/13/39/15/546133915.db2.gz XZUVWIPEPRHRBW-CQSZACIVSA-N 1 1 364.870 2.289 20 10 FECDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000171710452 546219761 /nfs/dbraw/zinc/21/97/61/546219761.db2.gz DQXQBPSQAMSOIW-ZGRWHYIRSA-N 1 1 368.481 2.494 20 10 FECDMO Cc1cc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000174186757 546292942 /nfs/dbraw/zinc/29/29/42/546292942.db2.gz UFVWSJSXCGRJDV-SFHVURJKSA-N 1 1 368.481 2.283 20 10 FECDMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1O ZINC000179663253 546994399 /nfs/dbraw/zinc/99/43/99/546994399.db2.gz TZSVAWPPARRBGB-UHFFFAOYSA-N 1 1 354.406 2.387 20 10 FECDMO COc1cccc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1O ZINC000182297048 547469376 /nfs/dbraw/zinc/46/93/76/547469376.db2.gz FXDHFDSHWQUJAT-MRXNPFEDSA-N 1 1 368.499 2.227 20 10 FECDMO COCCn1c(C)c(C)c2cc(C(=O)NCCC[NH+]3CCOCC3)ccc21 ZINC000485012014 561310462 /nfs/dbraw/zinc/31/04/62/561310462.db2.gz CCIUIHPVSWOGMX-UHFFFAOYSA-N 1 1 373.497 2.357 20 10 FECDMO C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Br)ccc1[O-] ZINC000184899883 547895977 /nfs/dbraw/zinc/89/59/77/547895977.db2.gz XFZIAQBKDFUEBX-CYBMUJFWSA-N 1 1 356.308 2.443 20 10 FECDMO CN(C)c1ccc(C[N@H+](CC(=O)Nc2ccccc2C(N)=O)C2CC2)cc1 ZINC000269439005 550195968 /nfs/dbraw/zinc/19/59/68/550195968.db2.gz DBUXOGNSDHJBTF-UHFFFAOYSA-N 1 1 366.465 2.455 20 10 FECDMO CN(C)c1ccc(C[N@@H+](CC(=O)Nc2ccccc2C(N)=O)C2CC2)cc1 ZINC000269439005 550195969 /nfs/dbraw/zinc/19/59/69/550195969.db2.gz DBUXOGNSDHJBTF-UHFFFAOYSA-N 1 1 366.465 2.455 20 10 FECDMO CN(C)c1ccc(C[N@@H+](CC(=O)N2CCC3(CC2)OCCO3)C2CC2)cc1 ZINC000269484485 550200600 /nfs/dbraw/zinc/20/06/00/550200600.db2.gz LARBLJDOFJZLCP-UHFFFAOYSA-N 1 1 373.497 2.083 20 10 FECDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000277403453 550666133 /nfs/dbraw/zinc/66/61/33/550666133.db2.gz JZRMWFXIQDCPGP-IINYFYTJSA-N 1 1 368.275 2.437 20 10 FECDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC000277403466 550666384 /nfs/dbraw/zinc/66/63/84/550666384.db2.gz JZRMWFXIQDCPGP-YGRLFVJLSA-N 1 1 368.275 2.437 20 10 FECDMO CN(C)C(=O)c1ccc(C[NH2+]Cc2cccc(Br)c2O)[nH]1 ZINC000278344365 550775242 /nfs/dbraw/zinc/77/52/42/550775242.db2.gz HWMCGPMMONKLLJ-UHFFFAOYSA-N 1 1 352.232 2.474 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278504177 550793256 /nfs/dbraw/zinc/79/32/56/550793256.db2.gz OLXLFOSQQXPLCL-CQSZACIVSA-N 1 1 350.346 2.141 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278949117 550839396 /nfs/dbraw/zinc/83/93/96/550839396.db2.gz ZCYWPGPLPXNIAW-JTQLQIEISA-N 1 1 363.336 2.283 20 10 FECDMO CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1O ZINC000285494512 551765314 /nfs/dbraw/zinc/76/53/14/551765314.db2.gz ANUYNXAHIISTDF-GXTWGEPZSA-N 1 1 373.471 2.468 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](C)C(F)(F)F)CC2)cc1 ZINC000287137312 551968254 /nfs/dbraw/zinc/96/82/54/551968254.db2.gz HFMMXKRDHSGHNB-ZDUSSCGKSA-N 1 1 374.407 2.067 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000289250060 552289157 /nfs/dbraw/zinc/28/91/57/552289157.db2.gz FCSXBEVDZSGGOX-MRXNPFEDSA-N 1 1 373.497 2.288 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@]3(C)[C@@H](C1)C3(F)F)cc2=O ZINC000298234622 553401583 /nfs/dbraw/zinc/40/15/83/553401583.db2.gz HZXNJGZTRZSWOC-WBMJQRKESA-N 1 1 366.368 2.089 20 10 FECDMO C[C@H]1CCC[N@@H+](CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000298725905 553464269 /nfs/dbraw/zinc/46/42/69/553464269.db2.gz OGHSCBBWZKOJCM-SFHVURJKSA-N 1 1 374.529 2.397 20 10 FECDMO CN(C)c1ccc(CNC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)cc1F ZINC000363882843 555206159 /nfs/dbraw/zinc/20/61/59/555206159.db2.gz CHQKYMBOEDLHKK-UHFFFAOYSA-N 1 1 373.476 2.246 20 10 FECDMO CN(C)c1ccc(CNC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)cc1F ZINC000363882843 555206161 /nfs/dbraw/zinc/20/61/61/555206161.db2.gz CHQKYMBOEDLHKK-UHFFFAOYSA-N 1 1 373.476 2.246 20 10 FECDMO COc1c(O)c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000365116906 555489366 /nfs/dbraw/zinc/48/93/66/555489366.db2.gz MZUMFELTWZCDDN-OAHLLOKOSA-N 1 1 366.414 2.469 20 10 FECDMO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1OC ZINC000366532268 555869601 /nfs/dbraw/zinc/86/96/01/555869601.db2.gz CEFMSUNLJNVFTF-CQSZACIVSA-N 1 1 357.472 2.199 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1OC ZINC000366532268 555869603 /nfs/dbraw/zinc/86/96/03/555869603.db2.gz CEFMSUNLJNVFTF-CQSZACIVSA-N 1 1 357.472 2.199 20 10 FECDMO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2nnc3n2CCOC3)c1O ZINC000368992240 556469744 /nfs/dbraw/zinc/46/97/44/556469744.db2.gz XKKTXJLWOKPLQD-SNVBAGLBSA-N 1 1 367.247 2.436 20 10 FECDMO COc1cc(O)c(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)cc1OC ZINC000371361862 557161047 /nfs/dbraw/zinc/16/10/47/557161047.db2.gz VEICDUIWKVTGRB-UHFFFAOYSA-N 1 1 360.410 2.351 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)cc1OC ZINC000371361862 557161050 /nfs/dbraw/zinc/16/10/50/557161050.db2.gz VEICDUIWKVTGRB-UHFFFAOYSA-N 1 1 360.410 2.351 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371592351 557232929 /nfs/dbraw/zinc/23/29/29/557232929.db2.gz KNAFGYAOGLQVQT-GYAHQXATSA-N 1 1 355.482 2.279 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000373210226 557650629 /nfs/dbraw/zinc/65/06/29/557650629.db2.gz OCWWTLZYJHEINR-CQSZACIVSA-N 1 1 363.414 2.286 20 10 FECDMO COc1c(O)c(C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000373210226 557650630 /nfs/dbraw/zinc/65/06/30/557650630.db2.gz OCWWTLZYJHEINR-CQSZACIVSA-N 1 1 363.414 2.286 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](O)c3ccccc3C2)cc1 ZINC000373245809 557657689 /nfs/dbraw/zinc/65/76/89/557657689.db2.gz SDLPNZKGFAJGBF-FQEVSTJZSA-N 1 1 353.466 2.308 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](O)c3ccccc3C2)cc1 ZINC000373245809 557657690 /nfs/dbraw/zinc/65/76/90/557657690.db2.gz SDLPNZKGFAJGBF-FQEVSTJZSA-N 1 1 353.466 2.308 20 10 FECDMO COCCC[N@@H+](C)CCNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373383660 557683789 /nfs/dbraw/zinc/68/37/89/557683789.db2.gz OGJWIQCJTUNLBX-UHFFFAOYSA-N 1 1 360.502 2.130 20 10 FECDMO O=C(CC1OCCCO1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373539318 557713701 /nfs/dbraw/zinc/71/37/01/557713701.db2.gz QZYHEKQZHAPQFK-OAHLLOKOSA-N 1 1 368.861 2.279 20 10 FECDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000373587390 557724049 /nfs/dbraw/zinc/72/40/49/557724049.db2.gz WUECLYWNKRUJDK-RTBURBONSA-N 1 1 362.470 2.066 20 10 FECDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000374805372 557934144 /nfs/dbraw/zinc/93/41/44/557934144.db2.gz IOQBDQACLRZZDY-KOHMXHNUSA-N 1 1 360.454 2.117 20 10 FECDMO COc1cccc(C[N@H+]2CCc3ccc(S(C)(=O)=O)cc3CC2)c1O ZINC000375031288 557967020 /nfs/dbraw/zinc/96/70/20/557967020.db2.gz OTDPKLYJRLQUDE-UHFFFAOYSA-N 1 1 361.463 2.405 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c(O)c1 ZINC000375179173 557987915 /nfs/dbraw/zinc/98/79/15/557987915.db2.gz WLZFEELWCMSHJI-HNNXBMFYSA-N 1 1 374.441 2.396 20 10 FECDMO COCCCOCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378446845 558559379 /nfs/dbraw/zinc/55/93/79/558559379.db2.gz DBOZORMGVSMHEK-INIZCTEOSA-N 1 1 370.877 2.179 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000525922198 562259732 /nfs/dbraw/zinc/25/97/32/562259732.db2.gz HGHYVLBZWFVMJW-UHFFFAOYSA-N 1 1 371.529 2.314 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529669585 562380767 /nfs/dbraw/zinc/38/07/67/562380767.db2.gz ZFIVLPXECGUEHA-IYBDPMFKSA-N 1 1 358.276 2.276 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1 ZINC000529669585 562380768 /nfs/dbraw/zinc/38/07/68/562380768.db2.gz ZFIVLPXECGUEHA-IYBDPMFKSA-N 1 1 358.276 2.276 20 10 FECDMO CCC[N@@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1O ZINC000736469699 598524332 /nfs/dbraw/zinc/52/43/32/598524332.db2.gz KXBCEGMVAVUKJJ-UHFFFAOYSA-N 1 1 372.454 2.485 20 10 FECDMO C[N@@H+](CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000736793196 598702031 /nfs/dbraw/zinc/70/20/31/598702031.db2.gz TYGYKJMPOAJZRD-UHFFFAOYSA-N 1 1 352.398 2.033 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)CN(C)C1CC1 ZINC000809950947 674521386 /nfs/dbraw/zinc/52/13/86/674521386.db2.gz SKEXSSAJSPYQIB-OAHLLOKOSA-N 1 1 357.292 2.432 20 10 FECDMO CCN(Cc1cc(Br)ccc1O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000809950947 674521390 /nfs/dbraw/zinc/52/13/90/674521390.db2.gz SKEXSSAJSPYQIB-OAHLLOKOSA-N 1 1 357.292 2.432 20 10 FECDMO CCN(Cc1cc(Br)ccc1O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000809950947 674521392 /nfs/dbraw/zinc/52/13/92/674521392.db2.gz SKEXSSAJSPYQIB-OAHLLOKOSA-N 1 1 357.292 2.432 20 10 FECDMO COc1cc(Cl)cc(CNCC(=O)NCC[NH+]2CCCCCC2)c1O ZINC000816620369 675069041 /nfs/dbraw/zinc/06/90/41/675069041.db2.gz RZRRCTBMUADFEH-UHFFFAOYSA-N 1 1 369.893 2.136 20 10 FECDMO CC[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000051740820 670303642 /nfs/dbraw/zinc/30/36/42/670303642.db2.gz AYNOEUKOXAWRJS-UHFFFAOYSA-N 1 1 351.466 2.256 20 10 FECDMO CCC[N@@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000123533123 671981180 /nfs/dbraw/zinc/98/11/80/671981180.db2.gz WTQSKJNOYPPDOR-HUUCEWRRSA-N 1 1 351.466 2.397 20 10 FECDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCCSc1nccs1 ZINC000153439361 672198543 /nfs/dbraw/zinc/19/85/43/672198543.db2.gz IOPLKQUFPYTFFY-CYBMUJFWSA-N 1 1 358.533 2.035 20 10 FECDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742803985 673738379 /nfs/dbraw/zinc/73/83/79/673738379.db2.gz RUMLQPSLGYXNSJ-CZUORRHYSA-N 1 1 353.413 2.467 20 10 FECDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)CC12COC2 ZINC000824489717 675606070 /nfs/dbraw/zinc/60/60/70/675606070.db2.gz PWQIXJJJFOKMAA-ZDUSSCGKSA-N 1 1 355.818 2.066 20 10 FECDMO COCCC[N@H+](Cc1cc(Cl)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824534739 675609338 /nfs/dbraw/zinc/60/93/38/675609338.db2.gz JFWPONZJLSWBES-CQSZACIVSA-N 1 1 361.891 2.380 20 10 FECDMO COCCC[N@@H+](Cc1cc(Cl)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000824534739 675609340 /nfs/dbraw/zinc/60/93/40/675609340.db2.gz JFWPONZJLSWBES-CQSZACIVSA-N 1 1 361.891 2.380 20 10 FECDMO COCCOC1(C[NH2+]Cc2cccc(Br)c2O)CCOCC1 ZINC000824589250 675612575 /nfs/dbraw/zinc/61/25/75/675612575.db2.gz CQHQCIFBVDTVQE-UHFFFAOYSA-N 1 1 374.275 2.457 20 10 FECDMO CN(Cc1cccs1)c1ccc(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000824897118 675627597 /nfs/dbraw/zinc/62/75/97/675627597.db2.gz NNAJCSYKPADADT-CALCHBBNSA-N 1 1 355.463 2.089 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1Cl ZINC000825886459 675672662 /nfs/dbraw/zinc/67/26/62/675672662.db2.gz PFBRHHLVZMJVCD-SJCJKPOMSA-N 1 1 351.834 2.307 20 10 FECDMO Cc1cc(Br)cc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c1O ZINC000827001058 675722302 /nfs/dbraw/zinc/72/23/02/675722302.db2.gz RVVAYEBFSLAAEJ-ZDUSSCGKSA-N 1 1 355.232 2.490 20 10 FECDMO Cc1cc(Br)cc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1O ZINC000827700642 675773540 /nfs/dbraw/zinc/77/35/40/675773540.db2.gz WCQCYTRFEWFWOY-MRXNPFEDSA-N 1 1 369.303 2.494 20 10 FECDMO CC1=NO[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544629 677046282 /nfs/dbraw/zinc/04/62/82/677046282.db2.gz SBIQNIJSXCYLJS-ZBFHGGJFSA-N 1 1 351.834 2.291 20 10 FECDMO C[C@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC[N@H+]1C ZINC000761283181 680717916 /nfs/dbraw/zinc/71/79/16/680717916.db2.gz RGJMDKZXCJUYNG-SMDDNHRTSA-N 1 1 351.834 2.293 20 10 FECDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146646 680741685 /nfs/dbraw/zinc/74/16/85/680741685.db2.gz PISUODMBBXUBBZ-SCLBCKFNSA-N 1 1 351.441 2.374 20 10 FECDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146646 680741686 /nfs/dbraw/zinc/74/16/86/680741686.db2.gz PISUODMBBXUBBZ-SCLBCKFNSA-N 1 1 351.441 2.374 20 10 FECDMO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840141718 680801727 /nfs/dbraw/zinc/80/17/27/680801727.db2.gz XEQFPVULUIQBPL-ABAIWWIYSA-N 1 1 360.376 2.134 20 10 FECDMO Cc1cc(O)c(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c(Cl)c1 ZINC000840909416 680852161 /nfs/dbraw/zinc/85/21/61/680852161.db2.gz AZTWWMSTVMOZQY-UHFFFAOYSA-N 1 1 360.845 2.170 20 10 FECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000840943195 680855262 /nfs/dbraw/zinc/85/52/62/680855262.db2.gz LNKUTLYUPJIUOW-UHFFFAOYSA-N 1 1 351.516 2.061 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1 ZINC000756366319 680474528 /nfs/dbraw/zinc/47/45/28/680474528.db2.gz GTPCNCFJLOBETA-RHSMWYFYSA-N 1 1 350.459 2.186 20 10 FECDMO C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756557831 680485129 /nfs/dbraw/zinc/48/51/29/680485129.db2.gz WKTKYOMUALRQCT-WCBMZHEXSA-N 1 1 351.672 2.381 20 10 FECDMO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(F)cc(F)c1O ZINC000756731022 680495278 /nfs/dbraw/zinc/49/52/78/680495278.db2.gz CBZSMABFUHGMRW-YGRLFVJLSA-N 1 1 350.369 2.250 20 10 FECDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837651639 680630094 /nfs/dbraw/zinc/63/00/94/680630094.db2.gz OCFWVNDKRBAZGE-KRWDZBQOSA-N 1 1 362.543 2.475 20 10 FECDMO C[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(Cl)cc1O ZINC000841764811 680910899 /nfs/dbraw/zinc/91/08/99/680910899.db2.gz RLDFRODOPVTQML-LBPRGKRZSA-N 1 1 360.907 2.205 20 10 FECDMO CC(C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[NH+]1CCOCC1 ZINC000844869296 681088953 /nfs/dbraw/zinc/08/89/53/681088953.db2.gz ROEOKMKHDIJAFO-OAHLLOKOSA-N 1 1 355.866 2.202 20 10 FECDMO CC[NH+]1CCN(CCCCNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844882983 681089625 /nfs/dbraw/zinc/08/96/25/681089625.db2.gz XFYNFHRHVDJJIJ-UHFFFAOYSA-N 1 1 368.909 2.263 20 10 FECDMO CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3cc(Cl)ccc3O)C2)CC1 ZINC000844985631 681096692 /nfs/dbraw/zinc/09/66/92/681096692.db2.gz RBCBRVYBMWMKPE-HNNXBMFYSA-N 1 1 366.893 2.013 20 10 FECDMO C[NH+]1CCC(N2CC[C@H](NC(=O)NCc3cc(Cl)ccc3O)C2)CC1 ZINC000844985631 681096694 /nfs/dbraw/zinc/09/66/94/681096694.db2.gz RBCBRVYBMWMKPE-HNNXBMFYSA-N 1 1 366.893 2.013 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1[O-] ZINC000846221651 681203561 /nfs/dbraw/zinc/20/35/61/681203561.db2.gz AJIBPZWBZQIXSD-XCRHUMRWSA-N 1 1 350.434 2.452 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1[O-] ZINC000846221651 681203568 /nfs/dbraw/zinc/20/35/68/681203568.db2.gz AJIBPZWBZQIXSD-XCRHUMRWSA-N 1 1 350.434 2.452 20 10 FECDMO CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1O ZINC000934263226 681538150 /nfs/dbraw/zinc/53/81/50/681538150.db2.gz NLPNIFNBJPDYFA-SJORKVTESA-N 1 1 352.862 2.279 20 10 FECDMO CCCN(CCC)c1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2OC)cc1 ZINC000850359261 681891406 /nfs/dbraw/zinc/89/14/06/681891406.db2.gz BTXMZGZIEMMIKI-ROUUACIJSA-N 1 1 354.516 2.215 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c1 ZINC000781906923 681988018 /nfs/dbraw/zinc/98/80/18/681988018.db2.gz ABMKBQTZJDXXGK-LLVKDONJSA-N 1 1 362.289 2.330 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c1 ZINC000781906923 681988023 /nfs/dbraw/zinc/98/80/23/681988023.db2.gz ABMKBQTZJDXXGK-LLVKDONJSA-N 1 1 362.289 2.330 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000786960039 682424648 /nfs/dbraw/zinc/42/46/48/682424648.db2.gz UXKFCQHYPBGMBC-SNVBAGLBSA-N 1 1 369.464 2.495 20 10 FECDMO COc1ccc(O)c(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000793267665 682876242 /nfs/dbraw/zinc/87/62/42/682876242.db2.gz URUMKFOJUGQFQW-HNNXBMFYSA-N 1 1 365.227 2.480 20 10 FECDMO CN(C[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1)S(C)(=O)=O ZINC000795651365 683077508 /nfs/dbraw/zinc/07/75/08/683077508.db2.gz RRHXMFJVULRYNV-CQSZACIVSA-N 1 1 363.483 2.044 20 10 FECDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c(O)cccc1Br ZINC000862335042 683573302 /nfs/dbraw/zinc/57/33/02/683573302.db2.gz XCPLBSRUIRITQR-GFCCVEGCSA-N 1 1 357.292 2.432 20 10 FECDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@@H](C)O1 ZINC000862486554 683595473 /nfs/dbraw/zinc/59/54/73/683595473.db2.gz DUQWAFIERWKIJL-WBMJQRKESA-N 1 1 351.443 2.461 20 10 FECDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C[C@@H](C)O1 ZINC000862486554 683595475 /nfs/dbraw/zinc/59/54/75/683595475.db2.gz DUQWAFIERWKIJL-WBMJQRKESA-N 1 1 351.443 2.461 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCc3nnn(C)c3C2)c1 ZINC000922995106 683816069 /nfs/dbraw/zinc/81/60/69/683816069.db2.gz VRIIJKNEGPJAMK-NSHDSACASA-N 1 1 351.248 2.239 20 10 FECDMO CC[C@H](NC(C)=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866765549 684147863 /nfs/dbraw/zinc/14/78/63/684147863.db2.gz YSKRBJWMQRNILB-CVEARBPZSA-N 1 1 367.877 2.041 20 10 FECDMO Cn1ncc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c1Cl ZINC000886324675 688232206 /nfs/dbraw/zinc/23/22/06/688232206.db2.gz BWPNHBZAEMDQAA-UHFFFAOYSA-N 1 1 361.877 2.065 20 10 FECDMO CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000892030631 689142913 /nfs/dbraw/zinc/14/29/13/689142913.db2.gz CFBHICFPDCSGQD-GOSISDBHSA-N 1 1 362.543 2.475 20 10 FECDMO COc1ccc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)c(O)c1OC ZINC000892048830 689144863 /nfs/dbraw/zinc/14/48/63/689144863.db2.gz NGQRNQMUAXUVFN-UHFFFAOYSA-N 1 1 366.355 2.427 20 10 FECDMO CCOCCCNC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893942500 689434391 /nfs/dbraw/zinc/43/43/91/689434391.db2.gz DFUDKDXBLHBDEU-UHFFFAOYSA-N 1 1 356.413 2.425 20 10 FECDMO COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(F)cc(F)c2O)cc1O ZINC000894777049 689594034 /nfs/dbraw/zinc/59/40/34/689594034.db2.gz KQUGDBIWBHWJML-GFCCVEGCSA-N 1 1 353.365 2.325 20 10 FECDMO CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cc(F)cc(F)c3O)C2)n1 ZINC000895375497 689705459 /nfs/dbraw/zinc/70/54/59/689705459.db2.gz SNBVZGCCDYYOOF-QGZVFWFLSA-N 1 1 353.369 2.185 20 10 FECDMO CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3cc(F)cc(F)c3O)C2)n1 ZINC000895375497 689705461 /nfs/dbraw/zinc/70/54/61/689705461.db2.gz SNBVZGCCDYYOOF-QGZVFWFLSA-N 1 1 353.369 2.185 20 10 FECDMO COC(=O)C1([C@]2(O)CCC[N@H+](Cc3cc(F)cc(F)c3O)C2)CCC1 ZINC000897702130 690066633 /nfs/dbraw/zinc/06/66/33/690066633.db2.gz JCCUYAOBQDRRPU-SFHVURJKSA-N 1 1 355.381 2.341 20 10 FECDMO COC(=O)C1([C@]2(O)CCC[N@@H+](Cc3cc(F)cc(F)c3O)C2)CCC1 ZINC000897702130 690066634 /nfs/dbraw/zinc/06/66/34/690066634.db2.gz JCCUYAOBQDRRPU-SFHVURJKSA-N 1 1 355.381 2.341 20 10 FECDMO C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC000051123609 540423189 /nfs/dbraw/zinc/42/31/89/540423189.db2.gz JOROZAFXHGLAQE-UHFFFAOYSA-N 1 1 371.456 2.411 20 10 FECDMO C[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC000051123609 540423192 /nfs/dbraw/zinc/42/31/92/540423192.db2.gz JOROZAFXHGLAQE-UHFFFAOYSA-N 1 1 371.456 2.411 20 10 FECDMO CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3cc(C)ccc3O)CC2)n1 ZINC000091867769 542829058 /nfs/dbraw/zinc/82/90/58/542829058.db2.gz WFIMMLQEUAEVNA-OAHLLOKOSA-N 1 1 360.458 2.499 20 10 FECDMO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cc(Br)ccc1O ZINC000093416679 542930637 /nfs/dbraw/zinc/93/06/37/542930637.db2.gz YOEZMXWJZOCLHY-JTQLQIEISA-N 1 1 350.278 2.410 20 10 FECDMO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000093416679 542930638 /nfs/dbraw/zinc/93/06/38/542930638.db2.gz YOEZMXWJZOCLHY-JTQLQIEISA-N 1 1 350.278 2.410 20 10 FECDMO CC[N@@H+](CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000102069364 543059263 /nfs/dbraw/zinc/05/92/63/543059263.db2.gz BWSKWTPKIGQPSB-UHFFFAOYSA-N 1 1 360.502 2.149 20 10 FECDMO C[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccccc1O ZINC000109770399 543338879 /nfs/dbraw/zinc/33/88/79/543338879.db2.gz YUAMBZHWFDRXTE-UHFFFAOYSA-N 1 1 350.440 2.402 20 10 FECDMO C[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)Cc1ccccc1O ZINC000109770399 543338882 /nfs/dbraw/zinc/33/88/82/543338882.db2.gz YUAMBZHWFDRXTE-UHFFFAOYSA-N 1 1 350.440 2.402 20 10 FECDMO COCCO[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000802653329 674190378 /nfs/dbraw/zinc/19/03/78/674190378.db2.gz RLAOLQBBAWZYMV-KRWDZBQOSA-N 1 1 352.450 2.290 20 10 FECDMO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000124235963 543808313 /nfs/dbraw/zinc/80/83/13/543808313.db2.gz ABINUOGHBHPRPH-UHFFFAOYSA-N 1 1 357.495 2.138 20 10 FECDMO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C[N@H+]1C1CC1 ZINC000127840669 544017152 /nfs/dbraw/zinc/01/71/52/544017152.db2.gz KWZWSWBXNJCHNH-WMZOPIPTSA-N 1 1 372.513 2.290 20 10 FECDMO C[C@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CC[N@H+]1C ZINC000805187849 674324971 /nfs/dbraw/zinc/32/49/71/674324971.db2.gz YFNVQBWWTVXBHF-GWCFXTLKSA-N 1 1 356.264 2.437 20 10 FECDMO C[C@@H](NCC1([NH+](C)C)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000168351656 546159719 /nfs/dbraw/zinc/15/97/19/546159719.db2.gz BMCCKIISOCXTLQ-MRXNPFEDSA-N 1 1 365.493 2.424 20 10 FECDMO COc1ccc(N2CCCN(C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)CC2)cc1 ZINC000171695516 546219141 /nfs/dbraw/zinc/21/91/41/546219141.db2.gz YPYVTUPXPVBYEW-MRXNPFEDSA-N 1 1 360.502 2.400 20 10 FECDMO COCCC[N@H+](Cc1cc(Cl)cc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179606000 546985631 /nfs/dbraw/zinc/98/56/31/546985631.db2.gz JKMFFGPCLXEFDD-HNNXBMFYSA-N 1 1 361.891 2.380 20 10 FECDMO COCCC[N@@H+](Cc1cc(Cl)cc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179606000 546985637 /nfs/dbraw/zinc/98/56/37/546985637.db2.gz JKMFFGPCLXEFDD-HNNXBMFYSA-N 1 1 361.891 2.380 20 10 FECDMO O=c1[nH]c(CN2CC[NH+](Cc3cc(F)ccc3O)CC2)nc2ccccc12 ZINC000179897444 547025877 /nfs/dbraw/zinc/02/58/77/547025877.db2.gz AVMZWYHZAKJNSC-UHFFFAOYSA-N 1 1 368.412 2.086 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000182304709 547470763 /nfs/dbraw/zinc/47/07/63/547470763.db2.gz YERGCLSGRCSGPC-KRWDZBQOSA-N 1 1 368.499 2.227 20 10 FECDMO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000183863837 547731265 /nfs/dbraw/zinc/73/12/65/547731265.db2.gz QTQQUFZFWJJPHG-AWEZNQCLSA-N 1 1 359.449 2.441 20 10 FECDMO CCOC(=O)c1nn(C)cc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000186166776 548094111 /nfs/dbraw/zinc/09/41/11/548094111.db2.gz VWLRFVUTXJDSIF-UHFFFAOYSA-N 1 1 372.469 2.065 20 10 FECDMO CCOC(=O)c1nn(C)cc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000186166776 548094117 /nfs/dbraw/zinc/09/41/17/548094117.db2.gz VWLRFVUTXJDSIF-UHFFFAOYSA-N 1 1 372.469 2.065 20 10 FECDMO C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@H+]1CC(C)(C)O ZINC000188891326 548289687 /nfs/dbraw/zinc/28/96/87/548289687.db2.gz XTZSZDZIRBISTK-QGZVFWFLSA-N 1 1 372.513 2.049 20 10 FECDMO CCOC1CC(C[NH2+][C@H](C)c2ccc(F)cc2O)(N2CCOCC2)C1 ZINC000193407859 548387101 /nfs/dbraw/zinc/38/71/01/548387101.db2.gz MTQPNNSQUPUHBR-ICXUMSERSA-N 1 1 352.450 2.452 20 10 FECDMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)Cc1ccc(N)cc1 ZINC000237138467 548802853 /nfs/dbraw/zinc/80/28/53/548802853.db2.gz SSHMQSVUQVFWGK-UHFFFAOYSA-N 1 1 352.482 2.092 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(=O)NCc2ccc(OC)cc2)c1 ZINC000273362659 550495647 /nfs/dbraw/zinc/49/56/47/550495647.db2.gz DHBKTHOSZZICKL-ZDUSSCGKSA-N 1 1 372.421 2.154 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c1 ZINC000273600597 550504877 /nfs/dbraw/zinc/50/48/77/550504877.db2.gz RUDNEBKHVCBGIE-ZDUSSCGKSA-N 1 1 372.421 2.355 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278514983 550793987 /nfs/dbraw/zinc/79/39/87/550793987.db2.gz QQUJNWNVZMMSOK-KRWDZBQOSA-N 1 1 350.346 2.445 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@](C)(OC)CC1)cc2=O ZINC000280572753 551009039 /nfs/dbraw/zinc/00/90/39/551009039.db2.gz SDJATWKKKYBQJI-SFHVURJKSA-N 1 1 362.430 2.003 20 10 FECDMO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000283992204 551463735 /nfs/dbraw/zinc/46/37/35/551463735.db2.gz JPHDHOSODPNFSS-LPHOPBHVSA-N 1 1 374.529 2.090 20 10 FECDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)ccc1O ZINC000289271978 552293046 /nfs/dbraw/zinc/29/30/46/552293046.db2.gz GKXMTTJKMGAEBU-WFASDCNBSA-N 1 1 355.276 2.450 20 10 FECDMO Cc1cnn([C@@H]2CC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)c1 ZINC000290004788 552412909 /nfs/dbraw/zinc/41/29/09/552412909.db2.gz UCHVGIREJRNCJH-LJQANCHMSA-N 1 1 355.486 2.163 20 10 FECDMO Cc1cc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)ccc1N(C)C ZINC000293896313 552865976 /nfs/dbraw/zinc/86/59/76/552865976.db2.gz VNRJOXXHBDGXAD-ZWKOTPCHSA-N 1 1 366.527 2.229 20 10 FECDMO Cc1cc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)ccc1N(C)C ZINC000293896313 552865978 /nfs/dbraw/zinc/86/59/78/552865978.db2.gz VNRJOXXHBDGXAD-ZWKOTPCHSA-N 1 1 366.527 2.229 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cccnc3)CC2)cc1 ZINC000299307598 553545752 /nfs/dbraw/zinc/54/57/52/553545752.db2.gz FAGOALINVSTJBJ-UHFFFAOYSA-N 1 1 355.442 2.034 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3ccsc3)CC2)cc1 ZINC000299501040 553572275 /nfs/dbraw/zinc/57/22/75/553572275.db2.gz NBBVUIHWIVOSAE-UHFFFAOYSA-N 1 1 359.495 2.238 20 10 FECDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000299534613 553577331 /nfs/dbraw/zinc/57/73/31/553577331.db2.gz HKOQCTWOJXOHHA-QGZVFWFLSA-N 1 1 368.437 2.164 20 10 FECDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000299534613 553577332 /nfs/dbraw/zinc/57/73/32/553577332.db2.gz HKOQCTWOJXOHHA-QGZVFWFLSA-N 1 1 368.437 2.164 20 10 FECDMO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNCc1ccc2c(c1)CCO2 ZINC000363535504 555130638 /nfs/dbraw/zinc/13/06/38/555130638.db2.gz SIQFSHHHRRBABY-UHFFFAOYSA-N 1 1 369.513 2.095 20 10 FECDMO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNCc1ccc2c(c1)CCO2 ZINC000363535504 555130639 /nfs/dbraw/zinc/13/06/39/555130639.db2.gz SIQFSHHHRRBABY-UHFFFAOYSA-N 1 1 369.513 2.095 20 10 FECDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1O ZINC000367741700 556127337 /nfs/dbraw/zinc/12/73/37/556127337.db2.gz UYNJIVYOQCVBHP-AWEZNQCLSA-N 1 1 368.275 2.453 20 10 FECDMO O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368619620 556365264 /nfs/dbraw/zinc/36/52/64/556365264.db2.gz QPYNJMGCDNCRRS-OLZOCXBDSA-N 1 1 374.268 2.361 20 10 FECDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368619620 556365266 /nfs/dbraw/zinc/36/52/66/556365266.db2.gz QPYNJMGCDNCRRS-OLZOCXBDSA-N 1 1 374.268 2.361 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](OCC3CC3)C1)cc2=O ZINC000368792733 556414386 /nfs/dbraw/zinc/41/43/86/556414386.db2.gz QBEJLWWXGYTPQV-HNNXBMFYSA-N 1 1 374.441 2.003 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@]3(CCCCO3)C1)cc2=O ZINC000369670088 556664173 /nfs/dbraw/zinc/66/41/73/556664173.db2.gz IWEVXIIKTIEQQP-LJQANCHMSA-N 1 1 374.441 2.147 20 10 FECDMO C[C@]1([C@H]2CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)NC(=O)NC1=O ZINC000372410658 557463956 /nfs/dbraw/zinc/46/39/56/557463956.db2.gz VBAQUNLUSYOMIL-VBKZILBWSA-N 1 1 353.422 2.356 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(c2cnccn2)CC1 ZINC000372487968 557483834 /nfs/dbraw/zinc/48/38/34/557483834.db2.gz VUYRAASJPDYPHZ-UHFFFAOYSA-N 1 1 367.497 2.414 20 10 FECDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@]1(N2CCOCC2)CCCOC1 ZINC000373617030 557730154 /nfs/dbraw/zinc/73/01/54/557730154.db2.gz XUYNLRIVFCXVNL-QGZVFWFLSA-N 1 1 358.841 2.156 20 10 FECDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000374258710 557853063 /nfs/dbraw/zinc/85/30/63/557853063.db2.gz WQEFXPAJHWTKPV-LEWJYISDSA-N 1 1 370.497 2.345 20 10 FECDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000374847871 557940187 /nfs/dbraw/zinc/94/01/87/557940187.db2.gz TVYLLRFOXWAACQ-GFCCVEGCSA-N 1 1 358.398 2.182 20 10 FECDMO CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1ccc(F)cc1O ZINC000375789327 558079801 /nfs/dbraw/zinc/07/98/01/558079801.db2.gz TZHYBRYOKSMDDM-PKOBYXMFSA-N 1 1 352.450 2.453 20 10 FECDMO C[NH+](C)C/C=C/C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000378298688 558523660 /nfs/dbraw/zinc/52/36/60/558523660.db2.gz IAZKNOAUKHBGHN-NBUZRDOWSA-N 1 1 351.878 2.244 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000378440243 558558086 /nfs/dbraw/zinc/55/80/86/558558086.db2.gz AQOMWJUTFFFGQW-HZPDHXFCSA-N 1 1 361.442 2.231 20 10 FECDMO C[C@H]1CN(S(=O)(=O)c2cccc3nsnc32)c2ccccc2C[NH2+]1 ZINC000392373940 558617179 /nfs/dbraw/zinc/61/71/79/558617179.db2.gz IZJBOZIXTBQSNM-NSHDSACASA-N 1 1 360.464 2.378 20 10 FECDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cccc(Br)c1O ZINC000809701120 674506066 /nfs/dbraw/zinc/50/60/66/674506066.db2.gz UNIBMZUNBJFPQW-OCCSQVGLSA-N 1 1 355.276 2.450 20 10 FECDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cccc(Br)c1O ZINC000809701120 674506067 /nfs/dbraw/zinc/50/60/67/674506067.db2.gz UNIBMZUNBJFPQW-OCCSQVGLSA-N 1 1 355.276 2.450 20 10 FECDMO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000809785283 674510016 /nfs/dbraw/zinc/51/00/16/674510016.db2.gz UVHFKLXXSBAAMO-LBPRGKRZSA-N 1 1 358.891 2.339 20 10 FECDMO COc1ccc(O)c(CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000114543516 670891733 /nfs/dbraw/zinc/89/17/33/670891733.db2.gz ZESUPOYSUHHYDL-LBTNJELSSA-N 1 1 350.459 2.151 20 10 FECDMO C[C@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[NH+]1CCSCC1 ZINC000133172313 672107173 /nfs/dbraw/zinc/10/71/73/672107173.db2.gz HVPHCOGBXQGQSB-OAHLLOKOSA-N 1 1 365.568 2.293 20 10 FECDMO C[N@@H+](CC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCSC1 ZINC000136585058 672139345 /nfs/dbraw/zinc/13/93/45/672139345.db2.gz OLYZFMZZUZLFDH-QGZVFWFLSA-N 1 1 365.568 2.293 20 10 FECDMO C[C@H]1CN(C(=O)NCCCSc2nccs2)CC[N@H+]1CC(C)(C)O ZINC000189318597 672613798 /nfs/dbraw/zinc/61/37/98/672613798.db2.gz VOVIMGNLEWGGMU-ZDUSSCGKSA-N 1 1 372.560 2.112 20 10 FECDMO C[NH+]1CCN([C@@H](CNC(=O)C2=CC(=O)CS2)c2cccs2)CC1 ZINC000732258910 673360998 /nfs/dbraw/zinc/36/09/98/673360998.db2.gz VLJLDJPTWAFELQ-ZDUSSCGKSA-N 1 1 351.497 2.234 20 10 FECDMO CCn1nc(C)c(C[NH2+]Cc2cc(Br)cc(OC)c2O)n1 ZINC000818221698 675205422 /nfs/dbraw/zinc/20/54/22/675205422.db2.gz SLZVQPWAJOAQJM-UHFFFAOYSA-N 1 1 355.236 2.373 20 10 FECDMO COc1cc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000824776214 675621528 /nfs/dbraw/zinc/62/15/28/675621528.db2.gz FQMHXIPYFFVMQL-ZDUSSCGKSA-N 1 1 370.515 2.199 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 ZINC000824832706 675624491 /nfs/dbraw/zinc/62/44/91/675624491.db2.gz ZJOMYYNJZVTUND-WCQYABFASA-N 1 1 358.360 2.243 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000827555433 675764676 /nfs/dbraw/zinc/76/46/76/675764676.db2.gz UCSXJPGTMMITNA-LLVKDONJSA-N 1 1 351.403 2.046 20 10 FECDMO C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(F)cc(F)c1O ZINC000840781466 680842404 /nfs/dbraw/zinc/84/24/04/680842404.db2.gz UNVVOTKDWMHGGJ-ZDUSSCGKSA-N 1 1 356.413 2.202 20 10 FECDMO C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000840878409 680848798 /nfs/dbraw/zinc/84/87/98/680848798.db2.gz HNQHSAFKDAJGQL-ZDUSSCGKSA-N 1 1 372.918 2.404 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c1 ZINC000756356139 680474301 /nfs/dbraw/zinc/47/43/01/680474301.db2.gz ZNVYTTHSCZQQLC-GDBMZVCRSA-N 1 1 350.459 2.186 20 10 FECDMO CN1CCN(c2ccc(C[NH2+]CCOCC(F)(F)C(F)F)cc2)CC1 ZINC000766223706 680870953 /nfs/dbraw/zinc/87/09/53/680870953.db2.gz JBLURJCQMCTFMX-UHFFFAOYSA-N 1 1 363.399 2.445 20 10 FECDMO C[C@@H](c1nccs1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000767483136 680913638 /nfs/dbraw/zinc/91/36/38/680913638.db2.gz PDMFUEFUBMZANS-BLLLJJGKSA-N 1 1 361.467 2.153 20 10 FECDMO [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC12CCOCC2 ZINC000843125193 680989049 /nfs/dbraw/zinc/98/90/49/680989049.db2.gz NTWUSPHUWXKLIN-GFCCVEGCSA-N 1 1 355.822 2.141 20 10 FECDMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1C ZINC000771059385 681039782 /nfs/dbraw/zinc/03/97/82/681039782.db2.gz PXFTXHQXODLJFR-HNNXBMFYSA-N 1 1 362.861 2.482 20 10 FECDMO COC(=O)N1CC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000773070144 681124402 /nfs/dbraw/zinc/12/44/02/681124402.db2.gz FZUHVWOXBPXMRH-LBPRGKRZSA-N 1 1 353.850 2.278 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1[O-] ZINC000846221648 681203476 /nfs/dbraw/zinc/20/34/76/681203476.db2.gz AJIBPZWBZQIXSD-FDQGKXFDSA-N 1 1 350.434 2.452 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1[O-] ZINC000846221648 681203483 /nfs/dbraw/zinc/20/34/83/681203483.db2.gz AJIBPZWBZQIXSD-FDQGKXFDSA-N 1 1 350.434 2.452 20 10 FECDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000777564828 681504139 /nfs/dbraw/zinc/50/41/39/681504139.db2.gz PTQAHBRGSQBKJC-GFCCVEGCSA-N 1 1 353.344 2.441 20 10 FECDMO CCc1cccc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1O ZINC000848914926 681641808 /nfs/dbraw/zinc/64/18/08/681641808.db2.gz VLKREJNCNQITJC-UHFFFAOYSA-N 1 1 364.467 2.113 20 10 FECDMO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H](O)C(F)(F)F ZINC000779193743 681687945 /nfs/dbraw/zinc/68/79/45/681687945.db2.gz SEHQEZKMROMZNU-OAHLLOKOSA-N 1 1 350.356 2.407 20 10 FECDMO CCN(CC)c1ccc(C[N@H+](C)Cc2coc(S(N)(=O)=O)c2)cc1 ZINC000851717584 682110783 /nfs/dbraw/zinc/11/07/83/682110783.db2.gz YZHVBLFFBYNUOT-UHFFFAOYSA-N 1 1 351.472 2.405 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2coc(S(N)(=O)=O)c2)cc1 ZINC000851717584 682110784 /nfs/dbraw/zinc/11/07/84/682110784.db2.gz YZHVBLFFBYNUOT-UHFFFAOYSA-N 1 1 351.472 2.405 20 10 FECDMO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1O ZINC000788828640 682558994 /nfs/dbraw/zinc/55/89/94/682558994.db2.gz VKCOEOCNUFGFDG-SNVBAGLBSA-N 1 1 367.389 2.001 20 10 FECDMO COCCCNC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792774061 682839393 /nfs/dbraw/zinc/83/93/93/682839393.db2.gz MSFSAQMDUZNIFX-UHFFFAOYSA-N 1 1 361.408 2.356 20 10 FECDMO COCCCNC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792774061 682839396 /nfs/dbraw/zinc/83/93/96/682839396.db2.gz MSFSAQMDUZNIFX-UHFFFAOYSA-N 1 1 361.408 2.356 20 10 FECDMO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000795846171 683097371 /nfs/dbraw/zinc/09/73/71/683097371.db2.gz UEVCIEKRODIRTF-LLVKDONJSA-N 1 1 361.820 2.209 20 10 FECDMO CN(C)c1cc(F)c(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1F ZINC000862366054 683578140 /nfs/dbraw/zinc/57/81/40/683578140.db2.gz BQOQINCVRFNCGW-UHFFFAOYSA-N 1 1 354.489 2.489 20 10 FECDMO CN(C)c1cc(F)c(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1F ZINC000862366054 683578142 /nfs/dbraw/zinc/57/81/42/683578142.db2.gz BQOQINCVRFNCGW-UHFFFAOYSA-N 1 1 354.489 2.489 20 10 FECDMO C[N@H+]1CC[C@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@@H]21 ZINC000870982231 684777475 /nfs/dbraw/zinc/77/74/75/684777475.db2.gz MABOKEGZLZYEIK-YOEHRIQHSA-N 1 1 356.495 2.482 20 10 FECDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)CC1(O)CCOCC1 ZINC000871975717 684900957 /nfs/dbraw/zinc/90/09/57/684900957.db2.gz YZWCQQLKIUEZBX-LJQANCHMSA-N 1 1 350.503 2.256 20 10 FECDMO CCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000876537991 686216124 /nfs/dbraw/zinc/21/61/24/686216124.db2.gz JCVKIDDDRSCLMP-GOSISDBHSA-N 1 1 366.527 2.047 20 10 FECDMO Cc1ccc(C[NH2+]Cc2nn(C)cc2I)c(O)c1 ZINC000877572410 686411900 /nfs/dbraw/zinc/41/19/00/686411900.db2.gz GKEHZAWFFPAVCK-UHFFFAOYSA-N 1 1 357.195 2.329 20 10 FECDMO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000882880966 687520918 /nfs/dbraw/zinc/52/09/18/687520918.db2.gz RGEBJXLAEDWSIO-UHFFFAOYSA-N 1 1 353.369 2.015 20 10 FECDMO C[NH+]1CCC(CCO)([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000883152828 687578049 /nfs/dbraw/zinc/57/80/49/687578049.db2.gz IPJRVHGZNVTSHE-UHFFFAOYSA-N 1 1 361.255 2.230 20 10 FECDMO C[NH+]1CCN(c2ccc(CNCc3cc(C(F)(F)F)n[nH]3)cc2)CC1 ZINC000883283577 687598321 /nfs/dbraw/zinc/59/83/21/687598321.db2.gz KPKSALGGJDGBOV-UHFFFAOYSA-N 1 1 353.392 2.470 20 10 FECDMO CCc1nsc(N2CC[NH+](Cc3ccc(OC)c(OC)c3O)CC2)n1 ZINC000892105531 689150845 /nfs/dbraw/zinc/15/08/45/689150845.db2.gz LRFGGTXYYJMHGZ-UHFFFAOYSA-N 1 1 364.471 2.146 20 10 FECDMO CCc1nnc(C[NH2+]CCN2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000892705333 689232444 /nfs/dbraw/zinc/23/24/44/689232444.db2.gz PUQUVFLJNQIWNX-UHFFFAOYSA-N 1 1 361.515 2.021 20 10 FECDMO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000894984339 689634602 /nfs/dbraw/zinc/63/46/02/689634602.db2.gz XDGDJAOVZNRCOO-UHFFFAOYSA-N 1 1 356.394 2.258 20 10 FECDMO CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895332501 689697768 /nfs/dbraw/zinc/69/77/68/689697768.db2.gz KOSBMXWRDYWADH-LBPRGKRZSA-N 1 1 374.254 2.482 20 10 FECDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000898010628 690115112 /nfs/dbraw/zinc/11/51/12/690115112.db2.gz DKILHEUWKWFACV-UHFFFAOYSA-N 1 1 364.467 2.495 20 10 FECDMO O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C12CC[NH+](CC1)C2 ZINC000901127565 690616288 /nfs/dbraw/zinc/61/62/88/690616288.db2.gz LGJGQUKIEHEHMW-MRXNPFEDSA-N 1 1 363.889 2.222 20 10 FECDMO C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C[NH+]1CCOCC1 ZINC000172549167 546258324 /nfs/dbraw/zinc/25/83/24/546258324.db2.gz JUVZOWSUIHJJJP-QGZVFWFLSA-N 1 1 360.502 2.054 20 10 FECDMO CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246503721 549148892 /nfs/dbraw/zinc/14/88/92/549148892.db2.gz HVGDNNVRYWKKCO-GHTZIAJQSA-N 1 1 370.541 2.318 20 10 FECDMO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)c2C)cc1 ZINC000264704611 550000232 /nfs/dbraw/zinc/00/02/32/550000232.db2.gz DOFSSIZQEUMDSD-GOSISDBHSA-N 1 1 370.497 2.078 20 10 FECDMO CCOc1cccc(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1O ZINC000271136153 550343914 /nfs/dbraw/zinc/34/39/14/550343914.db2.gz MRKPFHVBQNZHHX-ZBFHGGJFSA-N 1 1 350.459 2.154 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1OC ZINC000271891956 550409218 /nfs/dbraw/zinc/40/92/18/550409218.db2.gz XHAOSQPQSQYRHN-CXAGYDPISA-N 1 1 357.472 2.197 20 10 FECDMO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000278216740 550762080 /nfs/dbraw/zinc/76/20/80/550762080.db2.gz KVIUKNGRWSIJHO-LBPRGKRZSA-N 1 1 350.371 2.084 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000278529335 550795612 /nfs/dbraw/zinc/79/56/12/550795612.db2.gz URBJSAGSEKLSEF-MLGOLLRUSA-N 1 1 354.428 2.453 20 10 FECDMO COc1c(O)c(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278857294 550829611 /nfs/dbraw/zinc/82/96/11/550829611.db2.gz LQZHJNISMNJFFM-BETUJISGSA-N 1 1 367.446 2.286 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282990737 551294402 /nfs/dbraw/zinc/29/44/02/551294402.db2.gz FNSMKFAFBXSUIB-JOQOYGCGSA-N 1 1 363.454 2.397 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCCn1cc[nH+]c1C ZINC000283635218 551400892 /nfs/dbraw/zinc/40/08/92/551400892.db2.gz AFZGKBCRHVYLLY-UHFFFAOYSA-N 1 1 372.469 2.232 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000284350610 551530507 /nfs/dbraw/zinc/53/05/07/551530507.db2.gz QBWDIEHJGRLYBN-ZWKOTPCHSA-N 1 1 373.497 2.264 20 10 FECDMO CCCOc1ccc(C[N@H+]2CC[C@](O)(c3cn(C(C)C)nn3)C2)c(O)c1 ZINC000285521209 551769220 /nfs/dbraw/zinc/76/92/20/551769220.db2.gz OKIOWUXGHGOXDC-LJQANCHMSA-N 1 1 360.458 2.447 20 10 FECDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CC(=O)N(C)Cc4ccc(N(C)C)cc4)[C@H]1[C@H]3C2 ZINC000286569068 551901118 /nfs/dbraw/zinc/90/11/18/551901118.db2.gz PNWSAZCRQZQITH-AJPPRCLOSA-N 1 1 357.498 2.066 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC(F)(F)[C@@H](C)C1)cc2=O ZINC000289702010 552364537 /nfs/dbraw/zinc/36/45/37/552364537.db2.gz HJYQREGRMQJQFX-JTQLQIEISA-N 1 1 354.357 2.089 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC(F)(F)[C@@H](C)C1)cc2=O ZINC000289702010 552364538 /nfs/dbraw/zinc/36/45/38/552364538.db2.gz HJYQREGRMQJQFX-JTQLQIEISA-N 1 1 354.357 2.089 20 10 FECDMO Oc1ccccc1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@H]1CCCO1 ZINC000293013111 552780417 /nfs/dbraw/zinc/78/04/17/552780417.db2.gz UPMXMQBXOURLDM-HUUCEWRRSA-N 1 1 363.376 2.313 20 10 FECDMO Cc1cc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)ccc1N(C)C ZINC000293896310 552866057 /nfs/dbraw/zinc/86/60/57/552866057.db2.gz VNRJOXXHBDGXAD-ROUUACIJSA-N 1 1 366.527 2.229 20 10 FECDMO Cc1cc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)ccc1N(C)C ZINC000293896310 552866058 /nfs/dbraw/zinc/86/60/58/552866058.db2.gz VNRJOXXHBDGXAD-ROUUACIJSA-N 1 1 366.527 2.229 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000297426815 553290962 /nfs/dbraw/zinc/29/09/62/553290962.db2.gz UYZGLOFPXSDFHA-OPFPJEHXSA-N 1 1 369.483 2.433 20 10 FECDMO C[NH+](C)[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000299346731 553551093 /nfs/dbraw/zinc/55/10/93/553551093.db2.gz SZELZFKVVADSMD-FQEVSTJZSA-N 1 1 353.466 2.442 20 10 FECDMO C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000299538432 553578004 /nfs/dbraw/zinc/57/80/04/553578004.db2.gz OPHCESQCORLFRQ-MRXNPFEDSA-N 1 1 371.403 2.252 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c1O ZINC000360331908 554871331 /nfs/dbraw/zinc/87/13/31/554871331.db2.gz BYMCIPHDXQKVEO-OAHLLOKOSA-N 1 1 368.861 2.268 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c1O ZINC000360331908 554871333 /nfs/dbraw/zinc/87/13/33/554871333.db2.gz BYMCIPHDXQKVEO-OAHLLOKOSA-N 1 1 368.861 2.268 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363637029 555152406 /nfs/dbraw/zinc/15/24/06/555152406.db2.gz IRBJNSPJADJOMU-ZGBFETHSSA-N 1 1 355.482 2.233 20 10 FECDMO COc1cc(Br)cc(CN2CCC[N@H+]([C@H](C)CO)CC2)c1O ZINC000364921581 555438244 /nfs/dbraw/zinc/43/82/44/555438244.db2.gz KHXCCPCBNGGTGU-GFCCVEGCSA-N 1 1 373.291 2.052 20 10 FECDMO Cc1nnc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000365990890 555719654 /nfs/dbraw/zinc/71/96/54/555719654.db2.gz BRMFAIUDMRRNKA-AWEZNQCLSA-N 1 1 364.833 2.060 20 10 FECDMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c(C)n1-c1ccccn1 ZINC000367103346 556001295 /nfs/dbraw/zinc/00/12/95/556001295.db2.gz MEPLOIDHJSLOHR-ZWKOTPCHSA-N 1 1 368.481 2.472 20 10 FECDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c(C)n1-c1ccccn1 ZINC000367103346 556001297 /nfs/dbraw/zinc/00/12/97/556001297.db2.gz MEPLOIDHJSLOHR-ZWKOTPCHSA-N 1 1 368.481 2.472 20 10 FECDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000372081583 557375547 /nfs/dbraw/zinc/37/55/47/557375547.db2.gz OHZOURMOFSYEAE-SFTDATJTSA-N 1 1 357.498 2.499 20 10 FECDMO Cc1cc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c(C)n1-c1ccccn1 ZINC000372712513 557544716 /nfs/dbraw/zinc/54/47/16/557544716.db2.gz HPJXKNMXDKPCOM-INIZCTEOSA-N 1 1 356.470 2.018 20 10 FECDMO CN(C)c1ccc(C2=CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)cc1 ZINC000373121124 557633272 /nfs/dbraw/zinc/63/32/72/557633272.db2.gz BBIAVFWMNYMJBS-UHFFFAOYSA-N 1 1 354.410 2.222 20 10 FECDMO COc1cccc(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1O ZINC000374699775 557918582 /nfs/dbraw/zinc/91/85/82/557918582.db2.gz MCICDLAVCDJNPC-INIZCTEOSA-N 1 1 367.405 2.054 20 10 FECDMO COc1cccc(C[N@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1O ZINC000374699775 557918585 /nfs/dbraw/zinc/91/85/85/557918585.db2.gz MCICDLAVCDJNPC-INIZCTEOSA-N 1 1 367.405 2.054 20 10 FECDMO Cc1cc(C[NH+]2CCC(N(C)C(=O)c3ccc(C)c(O)c3O)CC2)on1 ZINC000376496043 558180990 /nfs/dbraw/zinc/18/09/90/558180990.db2.gz UDMMUTQXQMYIOF-UHFFFAOYSA-N 1 1 359.426 2.439 20 10 FECDMO COc1cccc(C[N@H+]2CCCC[C@H]2COC(=O)N2CCOCC2)c1O ZINC000377691199 558398137 /nfs/dbraw/zinc/39/81/37/558398137.db2.gz FCFVCFQREJLQET-INIZCTEOSA-N 1 1 364.442 2.224 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000471613530 561008799 /nfs/dbraw/zinc/00/87/99/561008799.db2.gz QVZUXGXBBNWAAT-UHFFFAOYSA-N 1 1 371.529 2.312 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1O ZINC000528642831 562340126 /nfs/dbraw/zinc/34/01/26/562340126.db2.gz WSSUKEWFMAIBRE-MRXNPFEDSA-N 1 1 351.418 2.487 20 10 FECDMO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000808437442 674459099 /nfs/dbraw/zinc/45/90/99/674459099.db2.gz NQXWUOGUQKZZOO-LBPRGKRZSA-N 1 1 361.305 2.420 20 10 FECDMO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cccc(Br)c1O ZINC000809701118 674506012 /nfs/dbraw/zinc/50/60/12/674506012.db2.gz UNIBMZUNBJFPQW-JSGCOSHPSA-N 1 1 355.276 2.450 20 10 FECDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cccc(Br)c1O ZINC000809701118 674506013 /nfs/dbraw/zinc/50/60/13/674506013.db2.gz UNIBMZUNBJFPQW-JSGCOSHPSA-N 1 1 355.276 2.450 20 10 FECDMO COc1cccc(O)c1C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826217352 608851123 /nfs/dbraw/zinc/85/11/23/608851123.db2.gz ISXYSXYDEAPGCB-SFHVURJKSA-N 1 1 367.409 2.154 20 10 FECDMO COc1cccc(O)c1C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826217352 608851127 /nfs/dbraw/zinc/85/11/27/608851127.db2.gz ISXYSXYDEAPGCB-SFHVURJKSA-N 1 1 367.409 2.154 20 10 FECDMO CCc1cc(C[NH+]2CCN(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000058457277 670378317 /nfs/dbraw/zinc/37/83/17/670378317.db2.gz LSZXGBAVMWAPIW-UHFFFAOYSA-N 1 1 354.516 2.329 20 10 FECDMO O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000105152400 670797883 /nfs/dbraw/zinc/79/78/83/670797883.db2.gz RTRBOHDESCIUIA-UHFFFAOYSA-N 1 1 360.527 2.229 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCS[C@H](C)[C@H]3C)CC2)cc1 ZINC000112643890 670874429 /nfs/dbraw/zinc/87/44/29/670874429.db2.gz QSCQTUCPGOTZEF-HZPDHXFCSA-N 1 1 363.527 2.170 20 10 FECDMO COc1ccc2ccc(O)c(C[N@H+]3CCN(S(C)(=O)=O)[C@@H](C)C3)c2c1 ZINC000182964000 672457085 /nfs/dbraw/zinc/45/70/85/672457085.db2.gz MANSHXAPGSXULJ-ZDUSSCGKSA-N 1 1 364.467 2.020 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCS[C@H](C)CC3)CC2)cc1 ZINC000192179160 672684312 /nfs/dbraw/zinc/68/43/12/672684312.db2.gz ACAIRQJIFMTYDR-MRXNPFEDSA-N 1 1 363.527 2.171 20 10 FECDMO C[N@@H+](CCN1CCN(C(=O)C2=CC(=O)CS2)CC1)Cc1ccccc1 ZINC000732286743 673361871 /nfs/dbraw/zinc/36/18/71/673361871.db2.gz ISHHXELLIXMGJW-UHFFFAOYSA-N 1 1 359.495 2.344 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000824501564 675607031 /nfs/dbraw/zinc/60/70/31/675607031.db2.gz OPYDHNNNNSKRQI-CABCVRRESA-N 1 1 355.276 2.368 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1 ZINC000824501564 675607033 /nfs/dbraw/zinc/60/70/33/675607033.db2.gz OPYDHNNNNSKRQI-CABCVRRESA-N 1 1 355.276 2.368 20 10 FECDMO Cc1cc(O)c(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1Cl ZINC000824905776 675628418 /nfs/dbraw/zinc/62/84/18/675628418.db2.gz COTCQAUSXNFJJN-MRXNPFEDSA-N 1 1 351.878 2.092 20 10 FECDMO C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Br)cc2[O-])CC1(C)C ZINC000825773192 675668320 /nfs/dbraw/zinc/66/83/20/675668320.db2.gz APMJGJSUINPNRH-UHFFFAOYSA-N 1 1 356.308 2.270 20 10 FECDMO C[N@H+]1CCN(CC[NH2+]Cc2ccc(Br)cc2[O-])CC1(C)C ZINC000825773192 675668322 /nfs/dbraw/zinc/66/83/22/675668322.db2.gz APMJGJSUINPNRH-UHFFFAOYSA-N 1 1 356.308 2.270 20 10 FECDMO CC(=O)c1cc(Cl)cc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000750044510 680097202 /nfs/dbraw/zinc/09/72/02/680097202.db2.gz YKDZCCNGQBDXHU-IRXDYDNUSA-N 1 1 352.862 2.279 20 10 FECDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754723366 680373230 /nfs/dbraw/zinc/37/32/30/680373230.db2.gz QZHVVRXSBFZMLQ-CABCVRRESA-N 1 1 350.459 2.072 20 10 FECDMO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(Br)c(F)cc1O ZINC000756769010 680497281 /nfs/dbraw/zinc/49/72/81/680497281.db2.gz HOFCHEDDXZAYOH-JGVFFNPUSA-N 1 1 354.241 2.378 20 10 FECDMO Cc1cc(Br)cc(C[NH2+]Cc2nnnn2CC2CC2)c1O ZINC000770668098 681023061 /nfs/dbraw/zinc/02/30/61/681023061.db2.gz IZVYIBCEBXXVNX-UHFFFAOYSA-N 1 1 352.236 2.149 20 10 FECDMO CCN1CCN(c2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2F)CC1 ZINC000844191573 681043737 /nfs/dbraw/zinc/04/37/37/681043737.db2.gz XSKTXZKMHADVON-UHFFFAOYSA-N 1 1 350.482 2.101 20 10 FECDMO CN1CCN(c2ccc(C[NH2+]Cc3ccc([S@](C)=O)cc3)cc2)CC1 ZINC000771843389 681071980 /nfs/dbraw/zinc/07/19/80/681071980.db2.gz PMBOQKBPYIBUEX-VWLOTQADSA-N 1 1 357.523 2.466 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1[O-] ZINC000846221650 681203345 /nfs/dbraw/zinc/20/33/45/681203345.db2.gz AJIBPZWBZQIXSD-QANKJYHBSA-N 1 1 350.434 2.452 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1[O-] ZINC000846221650 681203352 /nfs/dbraw/zinc/20/33/52/681203352.db2.gz AJIBPZWBZQIXSD-QANKJYHBSA-N 1 1 350.434 2.452 20 10 FECDMO C[C@@H]1CN(c2ccc(CNC(=O)CC(F)(F)C[NH3+])cc2F)C[C@H](C)O1 ZINC000846672342 681274547 /nfs/dbraw/zinc/27/45/47/681274547.db2.gz FPGCQUAMEMELRG-TXEJJXNPSA-N 1 1 359.392 2.040 20 10 FECDMO COCC[N@@H+](CCC(=O)OC)Cc1cc(Br)cc(C)c1O ZINC000775699529 681325393 /nfs/dbraw/zinc/32/53/93/681325393.db2.gz GJLBLMIIHHOOFL-UHFFFAOYSA-N 1 1 360.248 2.475 20 10 FECDMO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1 ZINC000850359259 681891189 /nfs/dbraw/zinc/89/11/89/681891189.db2.gz BTXMZGZIEMMIKI-MSOLQXFVSA-N 1 1 354.516 2.215 20 10 FECDMO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000788670889 682548867 /nfs/dbraw/zinc/54/88/67/682548867.db2.gz KTQZOFICQGPQNK-WDEREUQCSA-N 1 1 366.405 2.343 20 10 FECDMO COc1ccc(CNC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000794381817 682963768 /nfs/dbraw/zinc/96/37/68/682963768.db2.gz OPRDRQMBRHEFJI-QWQRMKEZSA-N 1 1 350.459 2.151 20 10 FECDMO COc1ccc(CNC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000794381817 682963772 /nfs/dbraw/zinc/96/37/72/682963772.db2.gz OPRDRQMBRHEFJI-QWQRMKEZSA-N 1 1 350.459 2.151 20 10 FECDMO COc1ccc(CNC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000794381814 682963870 /nfs/dbraw/zinc/96/38/70/682963870.db2.gz OPRDRQMBRHEFJI-IYOUNJFTSA-N 1 1 350.459 2.151 20 10 FECDMO COc1ccc(CNC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000794381814 682963872 /nfs/dbraw/zinc/96/38/72/682963872.db2.gz OPRDRQMBRHEFJI-IYOUNJFTSA-N 1 1 350.459 2.151 20 10 FECDMO CC[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(F)cc1O ZINC000858466425 682971070 /nfs/dbraw/zinc/97/10/70/682971070.db2.gz BCCYOMJVUBFKGR-VQIMIIECSA-N 1 1 352.450 2.188 20 10 FECDMO OCc1cn([C@@H]2CCC[N@@H+](Cc3c(O)cccc3Br)C2)nn1 ZINC000862377656 683580201 /nfs/dbraw/zinc/58/02/01/683580201.db2.gz KBJLGLRHCMFUIB-GFCCVEGCSA-N 1 1 367.247 2.076 20 10 FECDMO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000925153693 684530807 /nfs/dbraw/zinc/53/08/07/684530807.db2.gz ZRRPFMVBDCTOHX-VBNZEHGJSA-N 1 1 365.499 2.341 20 10 FECDMO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000925153689 684530814 /nfs/dbraw/zinc/53/08/14/684530814.db2.gz ZRRPFMVBDCTOHX-MAZHCROVSA-N 1 1 365.499 2.341 20 10 FECDMO COc1ccc(N2CC[NH+](CCOC[C@H]3CCCO3)CC2)c(OC)c1 ZINC000879461883 686827096 /nfs/dbraw/zinc/82/70/96/686827096.db2.gz IIIFEYWQNZUFER-QGZVFWFLSA-N 1 1 350.459 2.021 20 10 FECDMO CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882886441 687522862 /nfs/dbraw/zinc/52/28/62/687522862.db2.gz UMTLCWGFRGOPHE-UHFFFAOYSA-N 1 1 356.394 2.211 20 10 FECDMO COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1OC ZINC000892113084 689152160 /nfs/dbraw/zinc/15/21/60/689152160.db2.gz VSMYQKITFHZZBG-HIFRSBDPSA-N 1 1 357.472 2.197 20 10 FECDMO COc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(O)c1OC ZINC000892232729 689167912 /nfs/dbraw/zinc/16/79/12/689167912.db2.gz BNBWBCFXNGYLHP-BFYDXBDKSA-N 1 1 350.459 2.093 20 10 FECDMO COc1cc(C)cc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000893947216 689435707 /nfs/dbraw/zinc/43/57/07/689435707.db2.gz URKRLPVUABFHEC-OAHLLOKOSA-N 1 1 356.488 2.003 20 10 FECDMO CN(C)c1ccc(C[NH2+]Cc2cn(C)nc2I)cc1 ZINC000894160952 689477498 /nfs/dbraw/zinc/47/74/98/689477498.db2.gz PQKZCBQPADEJKI-UHFFFAOYSA-N 1 1 370.238 2.381 20 10 FECDMO COc1ccc(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)c(O)c1OC ZINC000895873358 689785580 /nfs/dbraw/zinc/78/55/80/689785580.db2.gz SFPGDGQEYUFCSX-UHFFFAOYSA-N 1 1 350.459 2.490 20 10 FECDMO COC[C@@H]1CC[C@@H]([C@H]2COCC[N@@H+]2Cc2cc(OC)c(C)cc2O)O1 ZINC000902536640 690776115 /nfs/dbraw/zinc/77/61/15/690776115.db2.gz IRRIKAAIWNGERK-JZXOWHBKSA-N 1 1 351.443 2.104 20 10 FECDMO COC[C@@H]1CC[C@@H]([C@H]2COCC[N@H+]2Cc2cc(OC)c(C)cc2O)O1 ZINC000902536640 690776117 /nfs/dbraw/zinc/77/61/17/690776117.db2.gz IRRIKAAIWNGERK-JZXOWHBKSA-N 1 1 351.443 2.104 20 10 FECDMO C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000903291229 690878637 /nfs/dbraw/zinc/87/86/37/690878637.db2.gz SFKFLXLYQAGBLR-NSHDSACASA-N 1 1 366.405 2.487 20 10 FECDMO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(Br)c(F)cc1O ZINC000818360738 675216132 /nfs/dbraw/zinc/21/61/32/675216132.db2.gz BTNFXTMWUFLTCX-RDDDGLTNSA-N 1 1 359.195 2.092 20 10 FECDMO COc1ccc(N2CCC[N@@H+](Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000053772435 540553038 /nfs/dbraw/zinc/55/30/38/540553038.db2.gz QJLIESZQCMSCBK-UHFFFAOYSA-N 1 1 370.478 2.477 20 10 FECDMO CCC[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1O ZINC000068973625 541645931 /nfs/dbraw/zinc/64/59/31/541645931.db2.gz JILRSLJXBZWBMU-UHFFFAOYSA-N 1 1 362.470 2.406 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)Cn1cccn1 ZINC000076118478 542235365 /nfs/dbraw/zinc/23/53/65/542235365.db2.gz BPRYGOLVXGNFHW-CQSZACIVSA-N 1 1 354.248 2.234 20 10 FECDMO C[N@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)Cc1ccccc1O ZINC000109772840 543338494 /nfs/dbraw/zinc/33/84/94/543338494.db2.gz KEZBLHZSHUMHSZ-UHFFFAOYSA-N 1 1 369.465 2.295 20 10 FECDMO C[N@@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)Cc1ccccc1O ZINC000109772840 543338496 /nfs/dbraw/zinc/33/84/96/543338496.db2.gz KEZBLHZSHUMHSZ-UHFFFAOYSA-N 1 1 369.465 2.295 20 10 FECDMO COc1ccc(O)c(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000114591063 543525234 /nfs/dbraw/zinc/52/52/34/543525234.db2.gz HCUZFRCUGLSJPG-UHFFFAOYSA-N 1 1 361.467 2.320 20 10 FECDMO COc1ccc(O)c(CNC(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000114591063 543525237 /nfs/dbraw/zinc/52/52/37/543525237.db2.gz HCUZFRCUGLSJPG-UHFFFAOYSA-N 1 1 361.467 2.320 20 10 FECDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000121152546 543690071 /nfs/dbraw/zinc/69/00/71/543690071.db2.gz PAIFARKDSXDWPD-ARGQNCHBSA-N 1 1 357.498 2.335 20 10 FECDMO Cc1cc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c(C)n1-c1ccccn1 ZINC000131642117 544199746 /nfs/dbraw/zinc/19/97/46/544199746.db2.gz TUIWJRILLJIUHV-SFHVURJKSA-N 1 1 370.497 2.456 20 10 FECDMO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000805183095 674324762 /nfs/dbraw/zinc/32/47/62/674324762.db2.gz CBCGVEIPWGYEIY-GFCCVEGCSA-N 1 1 354.248 2.191 20 10 FECDMO COCC[N@@H+](C)CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000171214205 546198091 /nfs/dbraw/zinc/19/80/91/546198091.db2.gz YDBCPIBXPHIRFE-UHFFFAOYSA-N 1 1 362.518 2.397 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000179486596 546963438 /nfs/dbraw/zinc/96/34/38/546963438.db2.gz IRMXVCNTALJYTD-CYBMUJFWSA-N 1 1 369.259 2.406 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000179486596 546963441 /nfs/dbraw/zinc/96/34/41/546963441.db2.gz IRMXVCNTALJYTD-CYBMUJFWSA-N 1 1 369.259 2.406 20 10 FECDMO CC[N@H+](Cc1cc(Br)cc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179562144 546977321 /nfs/dbraw/zinc/97/73/21/546977321.db2.gz OHNYMDWRNRIKGK-ZDUSSCGKSA-N 1 1 362.289 2.472 20 10 FECDMO CC[N@@H+](Cc1cc(Br)cc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179562144 546977325 /nfs/dbraw/zinc/97/73/25/546977325.db2.gz OHNYMDWRNRIKGK-ZDUSSCGKSA-N 1 1 362.289 2.472 20 10 FECDMO COCC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@H](C)C(N)=O ZINC000183051749 547592139 /nfs/dbraw/zinc/59/21/39/547592139.db2.gz RRJYNDPJCHQVBD-OAHLLOKOSA-N 1 1 358.438 2.293 20 10 FECDMO COCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@H](C)C(N)=O ZINC000183051749 547592144 /nfs/dbraw/zinc/59/21/44/547592144.db2.gz RRJYNDPJCHQVBD-OAHLLOKOSA-N 1 1 358.438 2.293 20 10 FECDMO CN(C)c1ccc(CNC(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246503726 549149131 /nfs/dbraw/zinc/14/91/31/549149131.db2.gz HVGDNNVRYWKKCO-RXVVDRJESA-N 1 1 370.541 2.318 20 10 FECDMO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000266765818 550023965 /nfs/dbraw/zinc/02/39/65/550023965.db2.gz PSLNMKPKVKADQZ-VQIMIIECSA-N 1 1 360.502 2.147 20 10 FECDMO COC(=O)CC1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)CCOCC1 ZINC000269045689 550148578 /nfs/dbraw/zinc/14/85/78/550148578.db2.gz MPIHYVJCYUZQRS-UHFFFAOYSA-N 1 1 355.818 2.450 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)c1 ZINC000271115796 550341742 /nfs/dbraw/zinc/34/17/42/550341742.db2.gz BOVLQJNXONOCGB-HUUCEWRRSA-N 1 1 350.459 2.154 20 10 FECDMO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCN1c1nccn2cnnc12 ZINC000271302116 550362880 /nfs/dbraw/zinc/36/28/80/550362880.db2.gz UMNKDMHZBDXVNG-LBPRGKRZSA-N 1 1 358.833 2.194 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)c1 ZINC000273369890 550495722 /nfs/dbraw/zinc/49/57/22/550495722.db2.gz FVHKWAMVYSTCNT-CQSZACIVSA-N 1 1 356.422 2.488 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000273432777 550498330 /nfs/dbraw/zinc/49/83/30/550498330.db2.gz WGWNTVHVGDZUSE-ZDUSSCGKSA-N 1 1 358.442 2.390 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)ccc1[N+](=O)[O-] ZINC000278131076 550752529 /nfs/dbraw/zinc/75/25/29/550752529.db2.gz CEUPMUUUHXLUFT-WFASDCNBSA-N 1 1 362.386 2.052 20 10 FECDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000278272233 550767528 /nfs/dbraw/zinc/76/75/28/550767528.db2.gz RUHSQYVFPPWIOA-CABCVRRESA-N 1 1 366.414 2.061 20 10 FECDMO COc1c(O)c(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278490649 550792002 /nfs/dbraw/zinc/79/20/02/550792002.db2.gz LFPAVNYRFJDAJK-SNVBAGLBSA-N 1 1 355.391 2.312 20 10 FECDMO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279260450 550870739 /nfs/dbraw/zinc/87/07/39/550870739.db2.gz VMJQLNFCNKUAGS-IBGZPJMESA-N 1 1 361.461 2.030 20 10 FECDMO O=S1(=O)CCC[C@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000283949858 551455874 /nfs/dbraw/zinc/45/58/74/551455874.db2.gz DKVRQZDUVINOMM-WBVHZDCISA-N 1 1 353.484 2.198 20 10 FECDMO COc1ccc(N2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CC2)cc1F ZINC000290570630 552499657 /nfs/dbraw/zinc/49/96/57/552499657.db2.gz ZJILWWLFPXTYBE-OAHLLOKOSA-N 1 1 372.444 2.250 20 10 FECDMO OCc1cn([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)nn1 ZINC000293581906 552837339 /nfs/dbraw/zinc/83/73/39/552837339.db2.gz HTWHEYALKMMEIR-AWEZNQCLSA-N 1 1 367.247 2.076 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2cccc(N3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000293897023 552865989 /nfs/dbraw/zinc/86/59/89/552865989.db2.gz KTMZLPZTHXGROO-UHFFFAOYSA-N 1 1 373.409 2.435 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+]3CCN(C[C@@H](C)O)C[C@@H]3C)cc2)CC1 ZINC000295653047 553039534 /nfs/dbraw/zinc/03/95/34/553039534.db2.gz DEYQDVHEPVTABK-ZWKOTPCHSA-N 1 1 361.530 2.189 20 10 FECDMO COC1CCN(c2ccc(C[N@H+]3CCN(C[C@@H](C)O)C[C@@H]3C)cc2)CC1 ZINC000295653047 553039537 /nfs/dbraw/zinc/03/95/37/553039537.db2.gz DEYQDVHEPVTABK-ZWKOTPCHSA-N 1 1 361.530 2.189 20 10 FECDMO COc1cc(O)c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1OC ZINC000296053523 553096814 /nfs/dbraw/zinc/09/68/14/553096814.db2.gz PXEHTNDOTXBRGN-UHFFFAOYSA-N 1 1 374.397 2.035 20 10 FECDMO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCn4ccnc43)CC2)cc1 ZINC000296158392 553114395 /nfs/dbraw/zinc/11/43/95/553114395.db2.gz XCHHPGWOSDIHCQ-IBGZPJMESA-N 1 1 355.486 2.138 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCN(C(=O)C(C)(C)C)CC2)cc1OC ZINC000362380931 554967722 /nfs/dbraw/zinc/96/77/22/554967722.db2.gz SFQCUUICMGKGNJ-UHFFFAOYSA-N 1 1 350.459 2.490 20 10 FECDMO COc1ccc(O)c([C@@H](C)[N@@H+]2CCc3ncnc(N4CCOCC4)c3C2)c1 ZINC000364624542 555356092 /nfs/dbraw/zinc/35/60/92/555356092.db2.gz TWRTXGRDYDITIY-CQSZACIVSA-N 1 1 370.453 2.147 20 10 FECDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCc3ncnc(N4CCOCC4)c3C2)c1 ZINC000364624542 555356094 /nfs/dbraw/zinc/35/60/94/555356094.db2.gz TWRTXGRDYDITIY-CQSZACIVSA-N 1 1 370.453 2.147 20 10 FECDMO C[C@@H](CNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)C[NH+]1CCOCC1 ZINC000365046759 555472492 /nfs/dbraw/zinc/47/24/92/555472492.db2.gz SKISZBCDLLEADW-KRWDZBQOSA-N 1 1 372.513 2.130 20 10 FECDMO O=S1(=O)CC[C@H](NC2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000377201871 558287399 /nfs/dbraw/zinc/28/73/99/558287399.db2.gz QCOOOAHUVOIODT-KRWDZBQOSA-N 1 1 374.506 2.287 20 10 FECDMO C[N@H+]1CCC[C@H](N2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)C1 ZINC000378357790 558537623 /nfs/dbraw/zinc/53/76/23/558537623.db2.gz XGTMUGRAENQRCS-HNNXBMFYSA-N 1 1 368.865 2.166 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000525925209 562259858 /nfs/dbraw/zinc/25/98/58/562259858.db2.gz GFDIEWVSJYIKBC-MRXNPFEDSA-N 1 1 371.529 2.312 20 10 FECDMO CCS(=O)(=O)N1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000052088237 670308853 /nfs/dbraw/zinc/30/88/53/670308853.db2.gz AEWCDQHJGQETRY-UHFFFAOYSA-N 1 1 354.516 2.465 20 10 FECDMO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2cc(Cl)ccc2O)CC1 ZINC000092965004 670746903 /nfs/dbraw/zinc/74/69/03/670746903.db2.gz DXRLKFVIWGZBPW-UHFFFAOYSA-N 1 1 368.861 2.279 20 10 FECDMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cc(Cl)ccc2O)CC1 ZINC000092965004 670746905 /nfs/dbraw/zinc/74/69/05/670746905.db2.gz DXRLKFVIWGZBPW-UHFFFAOYSA-N 1 1 368.861 2.279 20 10 FECDMO CN(C)S(=O)(=O)CCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000109761021 670844061 /nfs/dbraw/zinc/84/40/61/670844061.db2.gz RDKMGECHPVXOLT-UHFFFAOYSA-N 1 1 352.456 2.269 20 10 FECDMO COCCN(C)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000153744953 672203789 /nfs/dbraw/zinc/20/37/89/672203789.db2.gz BMBNIZLSRZJQRQ-INIZCTEOSA-N 1 1 353.482 2.281 20 10 FECDMO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3c(F)cccc3F)cc2)CC1 ZINC000733330971 673410007 /nfs/dbraw/zinc/41/00/07/673410007.db2.gz VPKFLRLKDGLJLK-UHFFFAOYSA-N 1 1 366.433 2.489 20 10 FECDMO COCCC[N@H+](Cc1cc(Cl)c(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000824534738 675609367 /nfs/dbraw/zinc/60/93/67/675609367.db2.gz JFWPONZJLSWBES-AWEZNQCLSA-N 1 1 361.891 2.380 20 10 FECDMO COCCC[N@@H+](Cc1cc(Cl)c(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000824534738 675609368 /nfs/dbraw/zinc/60/93/68/675609368.db2.gz JFWPONZJLSWBES-AWEZNQCLSA-N 1 1 361.891 2.380 20 10 FECDMO COc1cc(Br)cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c1O ZINC000824603128 675613009 /nfs/dbraw/zinc/61/30/09/675613009.db2.gz KHQDBJABYHHPIG-UHFFFAOYSA-N 1 1 353.220 2.449 20 10 FECDMO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824601757 675613073 /nfs/dbraw/zinc/61/30/73/675613073.db2.gz NFNRAHLGRUXGOK-CYBMUJFWSA-N 1 1 354.248 2.144 20 10 FECDMO C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825430254 675652678 /nfs/dbraw/zinc/65/26/78/675652678.db2.gz WNASJGYJRKKZOK-UHFFFAOYSA-N 1 1 356.308 2.270 20 10 FECDMO C[C@@H]1CN(Cc2ccc(Br)cc2O)CC[N@H+]1CC(C)(C)O ZINC000825628729 675661684 /nfs/dbraw/zinc/66/16/84/675661684.db2.gz GWVAPXLSMGGEDR-GFCCVEGCSA-N 1 1 357.292 2.432 20 10 FECDMO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000761123405 680711821 /nfs/dbraw/zinc/71/18/21/680711821.db2.gz ILEYGKQZBAEPMS-LSDHHAIUSA-N 1 1 363.845 2.437 20 10 FECDMO Cc1cc(Br)cc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1O ZINC000761228889 680715754 /nfs/dbraw/zinc/71/57/54/680715754.db2.gz NVKMTURDKAYOGK-AWEZNQCLSA-N 1 1 368.275 2.499 20 10 FECDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146645 680741514 /nfs/dbraw/zinc/74/15/14/680741514.db2.gz PISUODMBBXUBBZ-FZKQIMNGSA-N 1 1 351.441 2.374 20 10 FECDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146645 680741515 /nfs/dbraw/zinc/74/15/15/680741515.db2.gz PISUODMBBXUBBZ-FZKQIMNGSA-N 1 1 351.441 2.374 20 10 FECDMO C[C@@H](C1=CC[N@@H+](C)CC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762314656 680747358 /nfs/dbraw/zinc/74/73/58/680747358.db2.gz DKKFRPPSARFMGI-LBPRGKRZSA-N 1 1 363.845 2.460 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+]C(C)(C)CS(C)(=O)=O)c1 ZINC000762787339 680761417 /nfs/dbraw/zinc/76/14/17/680761417.db2.gz QUZKGSCCAJZWIA-UHFFFAOYSA-N 1 1 350.278 2.376 20 10 FECDMO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840950897 680856351 /nfs/dbraw/zinc/85/63/51/680856351.db2.gz QDKNHLIMUOTOEP-VWLOTQADSA-N 1 1 366.527 2.337 20 10 FECDMO COC(=O)CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCOCC1 ZINC000750827765 680134884 /nfs/dbraw/zinc/13/48/84/680134884.db2.gz ZOMXLNRLYCQAJB-UHFFFAOYSA-N 1 1 353.390 2.278 20 10 FECDMO COC(=O)CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCOCC1 ZINC000750827765 680134887 /nfs/dbraw/zinc/13/48/87/680134887.db2.gz ZOMXLNRLYCQAJB-UHFFFAOYSA-N 1 1 353.390 2.278 20 10 FECDMO Cc1cc(Br)c(O)c(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c1 ZINC000841891686 680916418 /nfs/dbraw/zinc/91/64/18/680916418.db2.gz OOUGJELJIHGASS-OLZOCXBDSA-N 1 1 357.292 2.350 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1OC ZINC000768445060 680947331 /nfs/dbraw/zinc/94/73/31/680947331.db2.gz FCNQGQKMRFTJQH-NSHDSACASA-N 1 1 362.348 2.004 20 10 FECDMO CCOc1ccc(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c(O)c1 ZINC000769003820 680967650 /nfs/dbraw/zinc/96/76/50/680967650.db2.gz GKPBBTGNFFREQN-ZBFHGGJFSA-N 1 1 350.459 2.154 20 10 FECDMO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000774200180 681172459 /nfs/dbraw/zinc/17/24/59/681172459.db2.gz WDOMLBRTELSVOW-VIFPVBQESA-N 1 1 368.282 2.289 20 10 FECDMO COc1c(O)c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000774908736 681249197 /nfs/dbraw/zinc/24/91/97/681249197.db2.gz JRRDFHKLXBAWPX-AWEZNQCLSA-N 1 1 352.387 2.079 20 10 FECDMO CCc1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000775390139 681303606 /nfs/dbraw/zinc/30/36/06/681303606.db2.gz FAPZDLFNRJGJOK-CYBMUJFWSA-N 1 1 364.833 2.385 20 10 FECDMO CCc1nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000775390139 681303612 /nfs/dbraw/zinc/30/36/12/681303612.db2.gz FAPZDLFNRJGJOK-CYBMUJFWSA-N 1 1 364.833 2.385 20 10 FECDMO O=C1[C@@H]([NH2+]Cc2cccc(Br)c2O)CCN1C1CCOCC1 ZINC000776231110 681374999 /nfs/dbraw/zinc/37/49/99/681374999.db2.gz LSNKCIDYWSMHRX-AWEZNQCLSA-N 1 1 369.259 2.024 20 10 FECDMO COc1cc(Br)cc([C@H](C)[NH2+]Cc2nnnn2C2CC2)c1O ZINC000848532560 681573507 /nfs/dbraw/zinc/57/35/07/681573507.db2.gz BWRCCYOINQJNLN-QMMMGPOBSA-N 1 1 368.235 2.336 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000848557141 681577398 /nfs/dbraw/zinc/57/73/98/681577398.db2.gz FMUHWYCBUVZZNW-XQLPTFJDSA-N 1 1 350.459 2.327 20 10 FECDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000853519476 682426883 /nfs/dbraw/zinc/42/68/83/682426883.db2.gz CSAZQASWWUDZEV-OAHLLOKOSA-N 1 1 352.431 2.165 20 10 FECDMO COCC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCOC1 ZINC000787336143 682451207 /nfs/dbraw/zinc/45/12/07/682451207.db2.gz ZJWYCVSYGBIXFI-CYBMUJFWSA-N 1 1 360.248 2.401 20 10 FECDMO O=S1(=O)CCN(c2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)CC1 ZINC000853791062 682469945 /nfs/dbraw/zinc/46/99/45/682469945.db2.gz LUHKLXDAOIHUJC-UHFFFAOYSA-N 1 1 356.451 2.410 20 10 FECDMO C[C@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C(=O)N1c1cnn(C)c1 ZINC000790970452 682717114 /nfs/dbraw/zinc/71/71/14/682717114.db2.gz JOKPFZSLLMPYTE-TVQRCGJNSA-N 1 1 352.797 2.202 20 10 FECDMO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000791009476 682719392 /nfs/dbraw/zinc/71/93/92/682719392.db2.gz QOVTWPMOGKAOLT-UHFFFAOYSA-N 1 1 373.833 2.241 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000792186708 682795283 /nfs/dbraw/zinc/79/52/83/682795283.db2.gz PVULNNQXPOXAQP-CYBMUJFWSA-N 1 1 369.259 2.360 20 10 FECDMO C[N@@H+]1CCN(Cc2cc(F)ccc2O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603679 682898623 /nfs/dbraw/zinc/89/86/23/682898623.db2.gz KELDVXKPZYFIHK-HNNXBMFYSA-N 1 1 353.438 2.172 20 10 FECDMO C[N@H+]1CCN(Cc2cc(F)ccc2O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603679 682898625 /nfs/dbraw/zinc/89/86/25/682898625.db2.gz KELDVXKPZYFIHK-HNNXBMFYSA-N 1 1 353.438 2.172 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCSCC[C@@H]3C)CC2)cc1 ZINC000794570060 682980247 /nfs/dbraw/zinc/98/02/47/682980247.db2.gz FIPDODWSVIECAB-INIZCTEOSA-N 1 1 363.527 2.171 20 10 FECDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862394935 683583643 /nfs/dbraw/zinc/58/36/43/683583643.db2.gz TZQURXGQVPWHEC-JTQLQIEISA-N 1 1 360.273 2.493 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c1O ZINC000862427590 683590266 /nfs/dbraw/zinc/59/02/66/683590266.db2.gz BONNPZZEKINPSN-GFCCVEGCSA-N 1 1 357.248 2.216 20 10 FECDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000862475516 683594929 /nfs/dbraw/zinc/59/49/29/683594929.db2.gz NJRXQWQFDFJIRH-HNNXBMFYSA-N 1 1 358.232 2.227 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCc3nnn(C)c3C2)c1 ZINC000922995105 683816045 /nfs/dbraw/zinc/81/60/45/683816045.db2.gz VRIIJKNEGPJAMK-LLVKDONJSA-N 1 1 351.248 2.239 20 10 FECDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)c2c1 ZINC000872797178 685017062 /nfs/dbraw/zinc/01/70/62/685017062.db2.gz XLUIBCFARKGKMP-CABCVRRESA-N 1 1 361.463 2.421 20 10 FECDMO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000876738107 686257832 /nfs/dbraw/zinc/25/78/32/686257832.db2.gz ZIXAZKVLPCWJBQ-INIZCTEOSA-N 1 1 368.543 2.293 20 10 FECDMO CC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000876738107 686257834 /nfs/dbraw/zinc/25/78/34/686257834.db2.gz ZIXAZKVLPCWJBQ-INIZCTEOSA-N 1 1 368.543 2.293 20 10 FECDMO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882988550 687541904 /nfs/dbraw/zinc/54/19/04/687541904.db2.gz VAGGKXQGFHHDRX-UHFFFAOYSA-N 1 1 357.378 2.243 20 10 FECDMO CCC[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)CC[N@H+]1CCOC ZINC000892211923 689165107 /nfs/dbraw/zinc/16/51/07/689165107.db2.gz OFMALQIATRUVKH-MRXNPFEDSA-N 1 1 352.475 2.342 20 10 FECDMO CCC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)CCN1CCOC ZINC000892211923 689165112 /nfs/dbraw/zinc/16/51/12/689165112.db2.gz OFMALQIATRUVKH-MRXNPFEDSA-N 1 1 352.475 2.342 20 10 FECDMO CCC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2O)CCN1CCOC ZINC000892211923 689165115 /nfs/dbraw/zinc/16/51/15/689165115.db2.gz OFMALQIATRUVKH-MRXNPFEDSA-N 1 1 352.475 2.342 20 10 FECDMO Cn1nc(Br)nc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000894208377 689486536 /nfs/dbraw/zinc/48/65/36/689486536.db2.gz HGEHHQAFKIQMIM-UHFFFAOYSA-N 1 1 350.264 2.250 20 10 FECDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896136951 689825371 /nfs/dbraw/zinc/82/53/71/689825371.db2.gz ADZUJBHLMDMTPL-LBPRGKRZSA-N 1 1 350.440 2.153 20 10 FECDMO C[N@H+]1CCCN(CCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000900700400 690549892 /nfs/dbraw/zinc/54/98/92/690549892.db2.gz RENUWQJBZLFFSV-UHFFFAOYSA-N 1 1 363.483 2.070 20 10 FECDMO CN1CCC[N@H+](CCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000900700400 690549898 /nfs/dbraw/zinc/54/98/98/690549898.db2.gz RENUWQJBZLFFSV-UHFFFAOYSA-N 1 1 363.483 2.070 20 10 FECDMO CN1CCC[N@@H+](CCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000900700400 690549901 /nfs/dbraw/zinc/54/99/01/690549901.db2.gz RENUWQJBZLFFSV-UHFFFAOYSA-N 1 1 363.483 2.070 20 10 FECDMO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc(Br)c(F)cc1O ZINC000800498324 674057509 /nfs/dbraw/zinc/05/75/09/674057509.db2.gz HITHUPMZILYOIM-SFYZADRCSA-N 1 1 351.191 2.419 20 10 FECDMO C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000054787083 540609772 /nfs/dbraw/zinc/60/97/72/540609772.db2.gz XPJSGUCPSVFVLG-QGZVFWFLSA-N 1 1 360.502 2.054 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000070927695 541752837 /nfs/dbraw/zinc/75/28/37/541752837.db2.gz MSIRDRFWMGEAFN-UHFFFAOYSA-N 1 1 355.482 2.206 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000070927695 541752841 /nfs/dbraw/zinc/75/28/41/541752841.db2.gz MSIRDRFWMGEAFN-UHFFFAOYSA-N 1 1 355.482 2.206 20 10 FECDMO C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[N@@H+](C)C1CC1 ZINC000105266638 543167523 /nfs/dbraw/zinc/16/75/23/543167523.db2.gz PATPECNSZBUWOK-INIZCTEOSA-N 1 1 360.502 2.147 20 10 FECDMO O=C(CCn1cccn1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000153996568 544849883 /nfs/dbraw/zinc/84/98/83/544849883.db2.gz GZNHMVMYMBCDNX-MRXNPFEDSA-N 1 1 362.861 2.413 20 10 FECDMO COCCC[N@H+](C)CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166844087 546157096 /nfs/dbraw/zinc/15/70/96/546157096.db2.gz IOCMRPWLUZRBJZ-INIZCTEOSA-N 1 1 353.482 2.281 20 10 FECDMO COCCC[N@@H+](C)CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166844087 546157100 /nfs/dbraw/zinc/15/71/00/546157100.db2.gz IOCMRPWLUZRBJZ-INIZCTEOSA-N 1 1 353.482 2.281 20 10 FECDMO COc1cccc(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1O ZINC000175929400 546373539 /nfs/dbraw/zinc/37/35/39/546373539.db2.gz QRAZOKANDQBRQQ-GOSISDBHSA-N 1 1 370.449 2.308 20 10 FECDMO COc1cccc(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1O ZINC000175929400 546373543 /nfs/dbraw/zinc/37/35/43/546373543.db2.gz QRAZOKANDQBRQQ-GOSISDBHSA-N 1 1 370.449 2.308 20 10 FECDMO COc1ccc(O)c(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)c1 ZINC000180787970 547179802 /nfs/dbraw/zinc/17/98/02/547179802.db2.gz LOQLYJXSELWWTG-UHFFFAOYSA-N 1 1 373.428 2.296 20 10 FECDMO C[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)N1CCN(C)CC1 ZINC000185362862 547975154 /nfs/dbraw/zinc/97/51/54/547975154.db2.gz SWUMTGPEZXIUPE-OLZOCXBDSA-N 1 1 356.308 2.441 20 10 FECDMO O=C(C[N@H+]1CCCC2(CC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000186980901 548234504 /nfs/dbraw/zinc/23/45/04/548234504.db2.gz HSOHRSLCGQWODE-UHFFFAOYSA-N 1 1 361.461 2.155 20 10 FECDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000247324000 549318968 /nfs/dbraw/zinc/31/89/68/549318968.db2.gz SYFRBVSCXOUCRD-NTPJFSOPSA-N 1 1 369.509 2.479 20 10 FECDMO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000266765808 550024089 /nfs/dbraw/zinc/02/40/89/550024089.db2.gz PSLNMKPKVKADQZ-LPHOPBHVSA-N 1 1 360.502 2.147 20 10 FECDMO COc1cccc(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1O ZINC000271169143 550347741 /nfs/dbraw/zinc/34/77/41/550347741.db2.gz DIRMURRIKHXULS-UHFFFAOYSA-N 1 1 360.458 2.399 20 10 FECDMO CC[N@@H+](CCCOC(=O)NC(N)=O)Cc1cc(Br)ccc1O ZINC000271371794 550369795 /nfs/dbraw/zinc/36/97/95/550369795.db2.gz NFMCOSIFRCVJJH-UHFFFAOYSA-N 1 1 374.235 2.172 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@H](CC)CSC)cc2=O ZINC000271609217 550389725 /nfs/dbraw/zinc/38/97/25/550389725.db2.gz VCHVGPBCFXWESB-GFCCVEGCSA-N 1 1 352.460 2.185 20 10 FECDMO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278315915 550772234 /nfs/dbraw/zinc/77/22/34/550772234.db2.gz FQOLIKMDUDDQDG-WFASDCNBSA-N 1 1 362.386 2.145 20 10 FECDMO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000283992209 551463402 /nfs/dbraw/zinc/46/34/02/551463402.db2.gz JPHDHOSODPNFSS-QFBILLFUSA-N 1 1 374.529 2.090 20 10 FECDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C2)C1 ZINC000293844993 552861846 /nfs/dbraw/zinc/86/18/46/552861846.db2.gz CUMSLAWTOXVFSO-QNBZTBGESA-N 1 1 369.509 2.481 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCC(C)(F)F)CC2)cc1 ZINC000296443779 553160660 /nfs/dbraw/zinc/16/06/60/553160660.db2.gz UJSRDHWOPAZPHJ-UHFFFAOYSA-N 1 1 370.444 2.162 20 10 FECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298705660 553461079 /nfs/dbraw/zinc/46/10/79/553461079.db2.gz FISHYYJQBJCORY-UXHICEINSA-N 1 1 372.513 2.291 20 10 FECDMO COCC[N@H+]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000299235647 553534819 /nfs/dbraw/zinc/53/48/19/553534819.db2.gz JSYVVFMTYAIFBT-UHFFFAOYSA-N 1 1 356.470 2.283 20 10 FECDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000364325560 555291667 /nfs/dbraw/zinc/29/16/67/555291667.db2.gz COBPATIXUBXUDJ-GOSISDBHSA-N 1 1 371.441 2.465 20 10 FECDMO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)c1 ZINC000368052260 556204506 /nfs/dbraw/zinc/20/45/06/556204506.db2.gz UYLBTZLWKHVBCA-INIZCTEOSA-N 1 1 351.406 2.385 20 10 FECDMO Cc1ccc(O)c(C[N@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)c1 ZINC000368052260 556204508 /nfs/dbraw/zinc/20/45/08/556204508.db2.gz UYLBTZLWKHVBCA-INIZCTEOSA-N 1 1 351.406 2.385 20 10 FECDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000369721878 556677867 /nfs/dbraw/zinc/67/78/67/556677867.db2.gz PANDCVBATCXRBW-MFKMUULPSA-N 1 1 355.232 2.393 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cnn(C)c2)C1 ZINC000517069674 562074518 /nfs/dbraw/zinc/07/45/18/562074518.db2.gz VICCFDQWDHCZCF-UHFFFAOYSA-N 1 1 365.481 2.458 20 10 FECDMO COc1cc(O)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000371362200 557161260 /nfs/dbraw/zinc/16/12/60/557161260.db2.gz YBGXVTLYARSPQR-HLLBOEOZSA-N 1 1 350.459 2.093 20 10 FECDMO Cc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)c1O ZINC000371601038 557236237 /nfs/dbraw/zinc/23/62/37/557236237.db2.gz FPLPPFQPTSRFBG-ZDUSSCGKSA-N 1 1 364.471 2.175 20 10 FECDMO COc1ccc(CNC(=O)[C@]2([NH+](C)C)CCOc3ccccc32)c(O)c1 ZINC000373660492 557733040 /nfs/dbraw/zinc/73/30/40/557733040.db2.gz OHLVGLGNFCUXCR-FQEVSTJZSA-N 1 1 356.422 2.257 20 10 FECDMO C[NH+](C)C/C=C/C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000378298687 558523627 /nfs/dbraw/zinc/52/36/27/558523627.db2.gz IAZKNOAUKHBGHN-MQDFFIGUSA-N 1 1 351.878 2.244 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)CC(N)=O)C1 ZINC000436020885 559933767 /nfs/dbraw/zinc/93/37/67/559933767.db2.gz MBNXHWKNEIXEDQ-UHFFFAOYSA-N 1 1 370.497 2.178 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000809718579 674507145 /nfs/dbraw/zinc/50/71/45/674507145.db2.gz LOKCXRNLQIKSIS-VWLOTQADSA-N 1 1 364.423 2.477 20 10 FECDMO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816609078 675067983 /nfs/dbraw/zinc/06/79/83/675067983.db2.gz RBYZYUWCUXTENP-IINYFYTJSA-N 1 1 364.870 2.382 20 10 FECDMO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816609077 675068239 /nfs/dbraw/zinc/06/82/39/675068239.db2.gz RBYZYUWCUXTENP-HZMBPMFUSA-N 1 1 364.870 2.382 20 10 FECDMO CC[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCS1 ZINC000076072481 670541005 /nfs/dbraw/zinc/54/10/05/670541005.db2.gz SYTXNTUVGNQARY-GOSISDBHSA-N 1 1 363.527 2.171 20 10 FECDMO COc1cccc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1O ZINC000119481642 671900511 /nfs/dbraw/zinc/90/05/11/671900511.db2.gz HFIDTGCRNYNGRV-GFCCVEGCSA-N 1 1 350.440 2.241 20 10 FECDMO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000154054719 672209893 /nfs/dbraw/zinc/20/98/93/672209893.db2.gz ZOGRMNHQIKMFQE-KRWDZBQOSA-N 1 1 351.516 2.191 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@H](C)CCSC)CC2)cc1 ZINC000172432673 672341711 /nfs/dbraw/zinc/34/17/11/672341711.db2.gz GOQYZGYJCZKKOO-MRXNPFEDSA-N 1 1 365.543 2.417 20 10 FECDMO CCN1CCN(c2ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc2F)CC1 ZINC000819033067 675254410 /nfs/dbraw/zinc/25/44/10/675254410.db2.gz LXEBQDNSEFGYHF-MRXNPFEDSA-N 1 1 363.399 2.371 20 10 FECDMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000824316072 675594950 /nfs/dbraw/zinc/59/49/50/675594950.db2.gz FUSGVNVQFSSFGR-UHFFFAOYSA-N 1 1 359.451 2.484 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCCN2CCCO)c1 ZINC000824565611 675610978 /nfs/dbraw/zinc/61/09/78/675610978.db2.gz YZPNIYUGAHHFAJ-CQSZACIVSA-N 1 1 357.292 2.400 20 10 FECDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc(Br)cc3O)CC2)C1 ZINC000824761672 675620637 /nfs/dbraw/zinc/62/06/37/675620637.db2.gz ILMCAJQSIAYTPF-MRXNPFEDSA-N 1 1 368.319 2.367 20 10 FECDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)CC12COC2 ZINC000826029696 675678594 /nfs/dbraw/zinc/67/85/94/675678594.db2.gz JCBMQRNXEYDOQQ-ZDUSSCGKSA-N 1 1 370.243 2.166 20 10 FECDMO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000830545507 677046513 /nfs/dbraw/zinc/04/65/13/677046513.db2.gz XQPJAQWSWPRTKI-VWLOTQADSA-N 1 1 366.527 2.419 20 10 FECDMO CC(C)(C)OC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000764866298 680823082 /nfs/dbraw/zinc/82/30/82/680823082.db2.gz CRRODCDMXRZFQQ-AWEZNQCLSA-N 1 1 368.861 2.468 20 10 FECDMO C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000840832642 680845716 /nfs/dbraw/zinc/84/57/16/680845716.db2.gz YTCLILZUHIURMV-OAHLLOKOSA-N 1 1 367.921 2.493 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)c1 ZINC000756356142 680474262 /nfs/dbraw/zinc/47/42/62/680474262.db2.gz ZNVYTTHSCZQQLC-ZBFHGGJFSA-N 1 1 350.459 2.186 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000756366053 680474595 /nfs/dbraw/zinc/47/45/95/680474595.db2.gz DKSQPWFOPGTUSQ-QLFBSQMISA-N 1 1 350.459 2.329 20 10 FECDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(F)cc(F)c1O ZINC000756840223 680500742 /nfs/dbraw/zinc/50/07/42/680500742.db2.gz URYNHYBFDIUHIA-HFBDOXOYSA-N 1 1 350.369 2.249 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1OC ZINC000768445055 680947306 /nfs/dbraw/zinc/94/73/06/680947306.db2.gz FCNQGQKMRFTJQH-LLVKDONJSA-N 1 1 362.348 2.004 20 10 FECDMO Fc1cc(C[N@H+]2CCC[C@H](C3OCCO3)C2)ccc1N1CCOCC1 ZINC000769307024 680977291 /nfs/dbraw/zinc/97/72/91/680977291.db2.gz YVAJYXNGMPMILJ-INIZCTEOSA-N 1 1 350.434 2.247 20 10 FECDMO O=C([C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)N1CC[NH2+]CC1 ZINC000843047281 680984644 /nfs/dbraw/zinc/98/46/44/680984644.db2.gz PZHOJTWELPCPLA-GFCCVEGCSA-N 1 1 372.296 2.343 20 10 FECDMO COC(=O)C[C@@]1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)CCCOC1 ZINC000770691307 681024128 /nfs/dbraw/zinc/02/41/28/681024128.db2.gz GNSAMZPVRDLPRG-KRWDZBQOSA-N 1 1 355.818 2.450 20 10 FECDMO COc1c(O)c(C[NH2+]CCOCC(F)(F)C(F)F)ccc1[N+](=O)[O-] ZINC000775146741 681277345 /nfs/dbraw/zinc/27/73/45/681277345.db2.gz QBKJFUNGWRIVEW-UHFFFAOYSA-N 1 1 356.272 2.316 20 10 FECDMO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(C)cc(Br)c1O ZINC000776812542 681438298 /nfs/dbraw/zinc/43/82/98/681438298.db2.gz KAQXQSMHCNWGKK-HUUCEWRRSA-N 1 1 374.275 2.373 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)c1 ZINC000850502901 681909123 /nfs/dbraw/zinc/90/91/23/681909123.db2.gz SQDVTGYHOSYVJL-UICACZKSSA-N 1 1 351.443 2.396 20 10 FECDMO CCS(=O)(=O)N1CCC(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790985831 682718111 /nfs/dbraw/zinc/71/81/11/682718111.db2.gz DTLYFYOTDNTPSV-UHFFFAOYSA-N 1 1 364.870 2.336 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2C[C@H](O)C23CCOCC3)c1 ZINC000923017571 683819849 /nfs/dbraw/zinc/81/98/49/683819849.db2.gz BWOSFGUJYBOLEP-KGLIPLIRSA-N 1 1 356.260 2.483 20 10 FECDMO CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CC2([NH+](C)C)CC2)cc1 ZINC000866560439 684119250 /nfs/dbraw/zinc/11/92/50/684119250.db2.gz SPFWZSKVEXOPSE-UHFFFAOYSA-N 1 1 351.516 2.141 20 10 FECDMO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)o2)cc1 ZINC000876550908 686217962 /nfs/dbraw/zinc/21/79/62/686217962.db2.gz HCPVAGBTWUKOAK-UHFFFAOYSA-N 1 1 351.472 2.405 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(S(N)(=O)=O)o2)cc1 ZINC000876550908 686217968 /nfs/dbraw/zinc/21/79/68/686217968.db2.gz HCPVAGBTWUKOAK-UHFFFAOYSA-N 1 1 351.472 2.405 20 10 FECDMO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877694415 686438938 /nfs/dbraw/zinc/43/89/38/686438938.db2.gz BXYBSJHJJTVGGI-LJQANCHMSA-N 1 1 351.443 2.260 20 10 FECDMO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877694415 686438944 /nfs/dbraw/zinc/43/89/44/686438944.db2.gz BXYBSJHJJTVGGI-LJQANCHMSA-N 1 1 351.443 2.260 20 10 FECDMO CN(c1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1)S(C)(=O)=O ZINC000882993177 687542300 /nfs/dbraw/zinc/54/23/00/687542300.db2.gz JYPVQRIWEWNWCI-UHFFFAOYSA-N 1 1 356.394 2.356 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1 ZINC000883361325 687613779 /nfs/dbraw/zinc/61/37/79/687613779.db2.gz ZSLBZRJHBILSKN-HQJQHLMTSA-N 1 1 357.275 2.388 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccns3)CC2)cc1 ZINC000889125143 688734151 /nfs/dbraw/zinc/73/41/51/688734151.db2.gz ORQGRTZLZBANOC-UHFFFAOYSA-N 1 1 361.471 2.095 20 10 FECDMO COc1cc(C)cc(C[N@@H+](CCO)CCNC(=O)OC(C)(C)C)c1O ZINC000894476308 689540141 /nfs/dbraw/zinc/54/01/41/689540141.db2.gz WWPHUDVNYBZFEE-UHFFFAOYSA-N 1 1 354.447 2.028 20 10 FECDMO COCCOCC[N@@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894786584 689596411 /nfs/dbraw/zinc/59/64/11/689596411.db2.gz KPHOSHBQRZHDBS-UHFFFAOYSA-N 1 1 352.406 2.199 20 10 FECDMO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c(O)c1OC ZINC000895513923 689729005 /nfs/dbraw/zinc/72/90/05/689729005.db2.gz JZUMPXGOAGUSTL-HNNXBMFYSA-N 1 1 363.435 2.169 20 10 FECDMO COc1ccc(C[N@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c(O)c1OC ZINC000896398601 689868846 /nfs/dbraw/zinc/86/88/46/689868846.db2.gz WIPQFIXRKFGMJC-ACJLOTCBSA-N 1 1 350.415 2.120 20 10 FECDMO O=S1(=O)CC[C@@H]([N@@H+](Cc2ccc(Br)cc2O)C2CC2)C1 ZINC000824568013 675611062 /nfs/dbraw/zinc/61/10/62/675611062.db2.gz YNCVLVHEUZQEFS-CYBMUJFWSA-N 1 1 360.273 2.306 20 10 FECDMO CCC[N@@H+](CC(=O)Nc1c(C(=O)OCC)cnn1C)Cc1ccccc1O ZINC000067117184 541419211 /nfs/dbraw/zinc/41/92/11/541419211.db2.gz BOVCWOQZOFYNDH-UHFFFAOYSA-N 1 1 374.441 2.153 20 10 FECDMO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081557864 542664958 /nfs/dbraw/zinc/66/49/58/542664958.db2.gz YATGWNDOJMLZEL-DLBZAZTESA-N 1 1 361.461 2.153 20 10 FECDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000092665996 542879535 /nfs/dbraw/zinc/87/95/35/542879535.db2.gz BCIOGBGUQSPENE-IYBDPMFKSA-N 1 1 361.486 2.111 20 10 FECDMO COc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c1O ZINC000105649784 543178702 /nfs/dbraw/zinc/17/87/02/543178702.db2.gz QBOCJVOLHBHRTE-IBGZPJMESA-N 1 1 370.449 2.215 20 10 FECDMO C[N@@H+](CC(=O)N1CCN(Cc2cccs2)CC1)Cc1ccccc1O ZINC000111235674 543388523 /nfs/dbraw/zinc/38/85/23/543388523.db2.gz MDFLNQGUVGULSH-UHFFFAOYSA-N 1 1 359.495 2.230 20 10 FECDMO CCC[N@H+](Cc1cccc(Br)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000802656321 674190281 /nfs/dbraw/zinc/19/02/81/674190281.db2.gz NRSNULIQZXXDQS-GFCCVEGCSA-N 1 1 355.232 2.124 20 10 FECDMO CCC[N@@H+](Cc1cccc(Br)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000802656321 674190282 /nfs/dbraw/zinc/19/02/82/674190282.db2.gz NRSNULIQZXXDQS-GFCCVEGCSA-N 1 1 355.232 2.124 20 10 FECDMO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C[N@H+]1C1CC1 ZINC000127841173 544017245 /nfs/dbraw/zinc/01/72/45/544017245.db2.gz KWZWSWBXNJCHNH-FUHWJXTLSA-N 1 1 372.513 2.290 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@H](C)c1ccncc1)cc2=O ZINC000127650999 544005732 /nfs/dbraw/zinc/00/57/32/544005732.db2.gz KHWDVACHMODAKZ-GFCCVEGCSA-N 1 1 355.398 2.200 20 10 FECDMO COCCOCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134260046 544300419 /nfs/dbraw/zinc/30/04/19/544300419.db2.gz ZLBMUYMYLWGJAR-MRXNPFEDSA-N 1 1 370.877 2.179 20 10 FECDMO C[C@@](O)(C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000804461351 674288195 /nfs/dbraw/zinc/28/81/95/674288195.db2.gz XNBPKCPMTLPCJQ-YJBOKZPZSA-N 1 1 352.862 2.287 20 10 FECDMO COc1cc(O)c(C[NH+]2CCN(Cc3c(C)noc3C)CC2)cc1OC ZINC000159977824 545997208 /nfs/dbraw/zinc/99/72/08/545997208.db2.gz RMMXUFIMKWCUPR-UHFFFAOYSA-N 1 1 361.442 2.332 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)CC(C)(C)CN2CCOCC2)cc1OC ZINC000180548233 547128631 /nfs/dbraw/zinc/12/86/31/547128631.db2.gz NTKJNLOZHJINNH-UHFFFAOYSA-N 1 1 352.475 2.200 20 10 FECDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Cc3ccc(N)cc3)c2)CCO1 ZINC000237421985 548825471 /nfs/dbraw/zinc/82/54/71/548825471.db2.gz WBDFVCCJAQGODT-MRXNPFEDSA-N 1 1 353.466 2.348 20 10 FECDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Cc3ccc(N)cc3)c2)CCO1 ZINC000237421985 548825477 /nfs/dbraw/zinc/82/54/77/548825477.db2.gz WBDFVCCJAQGODT-MRXNPFEDSA-N 1 1 353.466 2.348 20 10 FECDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(C)n1-c1cccc(C)c1 ZINC000264807577 550001408 /nfs/dbraw/zinc/00/14/08/550001408.db2.gz XNCFJDVXZCMGCE-LJQANCHMSA-N 1 1 354.498 2.378 20 10 FECDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264806830 550001428 /nfs/dbraw/zinc/00/14/28/550001428.db2.gz VBTWYYLITPKBBH-HXUWFJFHSA-N 1 1 373.545 2.064 20 10 FECDMO Cc1n[nH]c([C@@H]2CCCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n1 ZINC000268417457 550062149 /nfs/dbraw/zinc/06/21/49/550062149.db2.gz CATHCSXJPBODGU-QGZVFWFLSA-N 1 1 370.501 2.017 20 10 FECDMO O=S1(=O)CCC(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000271307420 550363341 /nfs/dbraw/zinc/36/33/41/550363341.db2.gz QGFHPNGZTREUGC-QGZVFWFLSA-N 1 1 353.484 2.198 20 10 FECDMO CCOC(=O)C1(O)CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000271776414 550401039 /nfs/dbraw/zinc/40/10/39/550401039.db2.gz HDFCXBSHBMEGAP-UHFFFAOYSA-N 1 1 372.259 2.353 20 10 FECDMO C[C@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000273044362 550482153 /nfs/dbraw/zinc/48/21/53/550482153.db2.gz WQWXTUIPACLCLY-JZLODUJNSA-N 1 1 355.482 2.303 20 10 FECDMO COc1ccccc1CN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276504742 550578681 /nfs/dbraw/zinc/57/86/81/550578681.db2.gz ABMOEXCCUAOIIK-UHFFFAOYSA-N 1 1 360.385 2.204 20 10 FECDMO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278104137 550749358 /nfs/dbraw/zinc/74/93/58/550749358.db2.gz AIXQVCOHESUNQN-FPJCUDJDSA-N 1 1 356.444 2.478 20 10 FECDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278166055 550756468 /nfs/dbraw/zinc/75/64/68/550756468.db2.gz FFBXJALPOKXCNA-INIZCTEOSA-N 1 1 362.382 2.483 20 10 FECDMO COc1c(O)c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000291296366 552611796 /nfs/dbraw/zinc/61/17/96/552611796.db2.gz QAVTZSUDXXMZKJ-IBGZPJMESA-N 1 1 358.394 2.445 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000291296366 552611797 /nfs/dbraw/zinc/61/17/97/552611797.db2.gz QAVTZSUDXXMZKJ-IBGZPJMESA-N 1 1 358.394 2.445 20 10 FECDMO Cc1cc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)ccc1N(C)C ZINC000293896302 552866116 /nfs/dbraw/zinc/86/61/16/552866116.db2.gz VNRJOXXHBDGXAD-MSOLQXFVSA-N 1 1 366.527 2.229 20 10 FECDMO Cc1cc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)ccc1N(C)C ZINC000293896302 552866117 /nfs/dbraw/zinc/86/61/17/552866117.db2.gz VNRJOXXHBDGXAD-MSOLQXFVSA-N 1 1 366.527 2.229 20 10 FECDMO COc1cccc(C[N@@H+]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC000294096771 552881432 /nfs/dbraw/zinc/88/14/32/552881432.db2.gz ZYBJDGRIPGRNSJ-UHFFFAOYSA-N 1 1 364.442 2.223 20 10 FECDMO COc1cccc(C[N@H+]2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1O ZINC000294096771 552881434 /nfs/dbraw/zinc/88/14/34/552881434.db2.gz ZYBJDGRIPGRNSJ-UHFFFAOYSA-N 1 1 364.442 2.223 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000294934254 552945257 /nfs/dbraw/zinc/94/52/57/552945257.db2.gz ZQWAWDOXWGQNDO-LBPRGKRZSA-N 1 1 365.430 2.423 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000294934254 552945258 /nfs/dbraw/zinc/94/52/58/552945258.db2.gz ZQWAWDOXWGQNDO-LBPRGKRZSA-N 1 1 365.430 2.423 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)Cc1ccc(OC)cc1)cc2=O ZINC000298729748 553465151 /nfs/dbraw/zinc/46/51/51/553465151.db2.gz NQYMQJGUDOPMHU-UHFFFAOYSA-N 1 1 370.409 2.252 20 10 FECDMO Cc1[nH+]ccn1CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000299597541 553586729 /nfs/dbraw/zinc/58/67/29/553586729.db2.gz FEMJCHYWMXXRMW-KRWDZBQOSA-N 1 1 358.442 2.288 20 10 FECDMO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000361180743 554908512 /nfs/dbraw/zinc/90/85/12/554908512.db2.gz XIFKZALHVOOMKY-UXHICEINSA-N 1 1 372.513 2.339 20 10 FECDMO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000361180743 554908513 /nfs/dbraw/zinc/90/85/13/554908513.db2.gz XIFKZALHVOOMKY-UXHICEINSA-N 1 1 372.513 2.339 20 10 FECDMO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000361180744 554908752 /nfs/dbraw/zinc/90/87/52/554908752.db2.gz XIFKZALHVOOMKY-VQTJNVASSA-N 1 1 372.513 2.339 20 10 FECDMO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000361180744 554908753 /nfs/dbraw/zinc/90/87/53/554908753.db2.gz XIFKZALHVOOMKY-VQTJNVASSA-N 1 1 372.513 2.339 20 10 FECDMO Oc1cc2c(cc1C[NH2+]Cc1nnc3n1C[C@@H](C(F)(F)F)CC3)OCO2 ZINC000364032920 555237309 /nfs/dbraw/zinc/23/73/09/555237309.db2.gz JYXTUCLHHQRFBL-JTQLQIEISA-N 1 1 370.331 2.127 20 10 FECDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000365338940 555547902 /nfs/dbraw/zinc/54/79/02/555547902.db2.gz SHTRDQSZIAQXJI-NJAFHUGGSA-N 1 1 361.486 2.423 20 10 FECDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2cccc(O)c2O)C1 ZINC000365764402 555662782 /nfs/dbraw/zinc/66/27/82/555662782.db2.gz MNOWVBYQRSZXCX-UHFFFAOYSA-N 1 1 356.422 2.479 20 10 FECDMO COc1c(O)c(C[NH+]2CCC(NC(=O)c3ccc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000365825354 555676139 /nfs/dbraw/zinc/67/61/39/555676139.db2.gz NTFNOYQZGPIGCF-UHFFFAOYSA-N 1 1 374.397 2.032 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1 ZINC000367088572 556001011 /nfs/dbraw/zinc/00/10/11/556001011.db2.gz CBKPJVLOQUFEAE-RBUKOAKNSA-N 1 1 360.502 2.147 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc1 ZINC000367088572 556001014 /nfs/dbraw/zinc/00/10/14/556001014.db2.gz CBKPJVLOQUFEAE-RBUKOAKNSA-N 1 1 360.502 2.147 20 10 FECDMO CCOc1cccc(C[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)c1O ZINC000367076693 556001154 /nfs/dbraw/zinc/00/11/54/556001154.db2.gz BHCXNJYSLWUAFA-KRWDZBQOSA-N 1 1 362.470 2.298 20 10 FECDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCCc2[nH+]ccn21 ZINC000368080296 556212803 /nfs/dbraw/zinc/21/28/03/556212803.db2.gz AWFBJRQDAZIPFM-IBGZPJMESA-N 1 1 368.481 2.286 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000369369126 556582143 /nfs/dbraw/zinc/58/21/43/556582143.db2.gz FIIVECZZMLODAY-SFHVURJKSA-N 1 1 373.545 2.063 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369369126 556582144 /nfs/dbraw/zinc/58/21/44/556582144.db2.gz FIIVECZZMLODAY-SFHVURJKSA-N 1 1 373.545 2.063 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCc3nn(C(C)C)c(=O)cc3C2)cc1OC ZINC000371415888 557179305 /nfs/dbraw/zinc/17/93/05/557179305.db2.gz DKBQWUYBBKSNIU-UHFFFAOYSA-N 1 1 359.426 2.105 20 10 FECDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(N2CCOCC2)cc1 ZINC000371471356 557192060 /nfs/dbraw/zinc/19/20/60/557192060.db2.gz TUXHMEAPHZAEPK-NJYVYQBISA-N 1 1 359.514 2.207 20 10 FECDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000371554483 557220619 /nfs/dbraw/zinc/22/06/19/557220619.db2.gz QFLVPZFAXZXFEI-WESDXNOOSA-N 1 1 355.482 2.089 20 10 FECDMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)Cc2ccc(N)cc2)CC1 ZINC000372107369 557381429 /nfs/dbraw/zinc/38/14/29/557381429.db2.gz IUPXCAFXSRPRLD-UHFFFAOYSA-N 1 1 366.465 2.228 20 10 FECDMO COc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)c(O)c1 ZINC000373664635 557733977 /nfs/dbraw/zinc/73/39/77/557733977.db2.gz DXXCWDAALVBZKA-HXUWFJFHSA-N 1 1 370.449 2.215 20 10 FECDMO NC(=O)[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000374312183 557863396 /nfs/dbraw/zinc/86/33/96/557863396.db2.gz UUHFLYOMSFSIHL-HXUWFJFHSA-N 1 1 351.450 2.108 20 10 FECDMO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000374312183 557863399 /nfs/dbraw/zinc/86/33/99/557863399.db2.gz UUHFLYOMSFSIHL-HXUWFJFHSA-N 1 1 351.450 2.108 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375440547 558027822 /nfs/dbraw/zinc/02/78/22/558027822.db2.gz WXWMATZIFSKTSD-INIZCTEOSA-N 1 1 369.469 2.119 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000375440547 558027824 /nfs/dbraw/zinc/02/78/24/558027824.db2.gz WXWMATZIFSKTSD-INIZCTEOSA-N 1 1 369.469 2.119 20 10 FECDMO CCn1cnnc1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000375726615 558073477 /nfs/dbraw/zinc/07/34/77/558073477.db2.gz XBIBRBZXJMBNQP-UHFFFAOYSA-N 1 1 361.402 2.300 20 10 FECDMO CCn1cnnc1[C@H]1C[N@@H+]([C@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000375919159 558099780 /nfs/dbraw/zinc/09/97/80/558099780.db2.gz ZAJJAFJFXAZMRZ-VQIMIIECSA-N 1 1 371.485 2.269 20 10 FECDMO CCn1cnnc1[C@H]1C[N@H+]([C@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000375919159 558099782 /nfs/dbraw/zinc/09/97/82/558099782.db2.gz ZAJJAFJFXAZMRZ-VQIMIIECSA-N 1 1 371.485 2.269 20 10 FECDMO CCOc1cccc(C[N@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)c1O ZINC000378332153 558531855 /nfs/dbraw/zinc/53/18/55/558531855.db2.gz AVURWSMPJQWTEU-UHFFFAOYSA-N 1 1 363.502 2.213 20 10 FECDMO COc1ccc(O)c(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1 ZINC000378638316 558598687 /nfs/dbraw/zinc/59/86/87/558598687.db2.gz QQSGVTHEUHTCRG-KRWDZBQOSA-N 1 1 367.405 2.054 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1 ZINC000378638316 558598689 /nfs/dbraw/zinc/59/86/89/558598689.db2.gz QQSGVTHEUHTCRG-KRWDZBQOSA-N 1 1 367.405 2.054 20 10 FECDMO CC(C)[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(N)=O ZINC000435857366 559931287 /nfs/dbraw/zinc/93/12/87/559931287.db2.gz TYWDQPRYJFJKDQ-FQEVSTJZSA-N 1 1 370.497 2.034 20 10 FECDMO COCCOCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000443999122 560098866 /nfs/dbraw/zinc/09/88/66/560098866.db2.gz XVHNVFKZHFDPAY-UHFFFAOYSA-N 1 1 373.497 2.187 20 10 FECDMO CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472244254 561021705 /nfs/dbraw/zinc/02/17/05/561021705.db2.gz SOEUBYHFRPJZSW-MRXNPFEDSA-N 1 1 358.486 2.085 20 10 FECDMO CCc1cc(C[N@@H+]2CCO[C@H](CNC(=O)NC)C2)c(O)c(C(C)(C)C)c1 ZINC000530103683 562398265 /nfs/dbraw/zinc/39/82/65/562398265.db2.gz LRFJWZPCYUCOQS-MRXNPFEDSA-N 1 1 363.502 2.382 20 10 FECDMO CCc1cc(C[N@H+]2CCO[C@H](CNC(=O)NC)C2)c(O)c(C(C)(C)C)c1 ZINC000530103683 562398266 /nfs/dbraw/zinc/39/82/66/562398266.db2.gz LRFJWZPCYUCOQS-MRXNPFEDSA-N 1 1 363.502 2.382 20 10 FECDMO CNC(=O)NC[C@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000530104770 562398431 /nfs/dbraw/zinc/39/84/31/562398431.db2.gz OVVVBEWZMFDJPE-AWEZNQCLSA-N 1 1 369.421 2.421 20 10 FECDMO CNC(=O)NC[C@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000530104770 562398432 /nfs/dbraw/zinc/39/84/32/562398432.db2.gz OVVVBEWZMFDJPE-AWEZNQCLSA-N 1 1 369.421 2.421 20 10 FECDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000808226103 674447698 /nfs/dbraw/zinc/44/76/98/674447698.db2.gz GZNNQEXBSUJONV-CQSZACIVSA-N 1 1 368.499 2.003 20 10 FECDMO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2c(O)ccc(Cl)c2F)NC(=O)NC1=O ZINC000809704736 674506150 /nfs/dbraw/zinc/50/61/50/674506150.db2.gz IUUWVINAOZFYLO-XXFAHNHDSA-N 1 1 355.797 2.137 20 10 FECDMO C[C@]1(C[C@@H]2CCC[N@H+]2Cc2c(O)ccc(Cl)c2F)NC(=O)NC1=O ZINC000809704736 674506152 /nfs/dbraw/zinc/50/61/52/674506152.db2.gz IUUWVINAOZFYLO-XXFAHNHDSA-N 1 1 355.797 2.137 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000809705770 674506241 /nfs/dbraw/zinc/50/62/41/674506241.db2.gz ZFBSCYAYNSYLEM-SJKOYZFVSA-N 1 1 367.833 2.007 20 10 FECDMO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809712929 674506760 /nfs/dbraw/zinc/50/67/60/674506760.db2.gz AZMNAWRWXQVHJM-ZDUSSCGKSA-N 1 1 351.403 2.190 20 10 FECDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809712929 674506762 /nfs/dbraw/zinc/50/67/62/674506762.db2.gz AZMNAWRWXQVHJM-ZDUSSCGKSA-N 1 1 351.403 2.190 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCCSC3)CC2)cc1 ZINC000810395690 674543148 /nfs/dbraw/zinc/54/31/48/674543148.db2.gz SNLXQUKPRLCSOZ-MRXNPFEDSA-N 1 1 363.527 2.077 20 10 FECDMO COc1cc(O)c(C[N@H+](C)C2CN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000811515143 674610349 /nfs/dbraw/zinc/61/03/49/674610349.db2.gz NHMYRGSFDLUCPB-UHFFFAOYSA-N 1 1 352.431 2.461 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)C2CN(C(=O)OC(C)(C)C)C2)cc1OC ZINC000811515143 674610352 /nfs/dbraw/zinc/61/03/52/674610352.db2.gz NHMYRGSFDLUCPB-UHFFFAOYSA-N 1 1 352.431 2.461 20 10 FECDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093610629 670754367 /nfs/dbraw/zinc/75/43/67/670754367.db2.gz MNAZAXNJNIRWNF-KRWDZBQOSA-N 1 1 350.484 2.004 20 10 FECDMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000093685660 670754941 /nfs/dbraw/zinc/75/49/41/670754941.db2.gz OAOBVMNUPTWMGB-UHFFFAOYSA-N 1 1 361.511 2.471 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](CCO)C2CCN(C)CC2)c1O ZINC000155496914 672234811 /nfs/dbraw/zinc/23/48/11/672234811.db2.gz MLTZJNFWDNKQAY-UHFFFAOYSA-N 1 1 373.291 2.052 20 10 FECDMO COc1cc(Br)cc(CN(CCO)C2CC[NH+](C)CC2)c1O ZINC000155496914 672234812 /nfs/dbraw/zinc/23/48/12/672234812.db2.gz MLTZJNFWDNKQAY-UHFFFAOYSA-N 1 1 373.291 2.052 20 10 FECDMO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000160589264 672292248 /nfs/dbraw/zinc/29/22/48/672292248.db2.gz JAFZXCKIQPUJQQ-UHFFFAOYSA-N 1 1 354.516 2.168 20 10 FECDMO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000160589264 672292251 /nfs/dbraw/zinc/29/22/51/672292251.db2.gz JAFZXCKIQPUJQQ-UHFFFAOYSA-N 1 1 354.516 2.168 20 10 FECDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000177732447 672385936 /nfs/dbraw/zinc/38/59/36/672385936.db2.gz XUGJTYRBUCQUIE-AWEZNQCLSA-N 1 1 372.560 2.281 20 10 FECDMO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1O ZINC000186158706 672542740 /nfs/dbraw/zinc/54/27/40/672542740.db2.gz PSHJUAJCTQZUNM-CMPLNLGQSA-N 1 1 359.444 2.078 20 10 FECDMO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1O ZINC000186158722 672542977 /nfs/dbraw/zinc/54/29/77/672542977.db2.gz PSHJUAJCTQZUNM-ZYHUDNBSSA-N 1 1 359.444 2.078 20 10 FECDMO CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c1O ZINC000823654839 675565478 /nfs/dbraw/zinc/56/54/78/675565478.db2.gz FBTWGQIWAPYEGG-UHFFFAOYSA-N 1 1 351.834 2.238 20 10 FECDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824819843 675623156 /nfs/dbraw/zinc/62/31/56/675623156.db2.gz UXBJOMGPELTLIT-UWVGGRQHSA-N 1 1 350.278 2.408 20 10 FECDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824819843 675623157 /nfs/dbraw/zinc/62/31/57/675623157.db2.gz UXBJOMGPELTLIT-UWVGGRQHSA-N 1 1 350.278 2.408 20 10 FECDMO O=S1(=O)CC[C@@H]([N@H+](Cc2ccc(Br)cc2O)C2CC2)C1 ZINC000824568013 675611061 /nfs/dbraw/zinc/61/10/61/675611061.db2.gz YNCVLVHEUZQEFS-CYBMUJFWSA-N 1 1 360.273 2.306 20 10 FECDMO OCCOCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000827209696 675740236 /nfs/dbraw/zinc/74/02/36/675740236.db2.gz FNTVETARDGSBPA-UHFFFAOYSA-N 1 1 352.450 2.026 20 10 FECDMO O=S1(=O)CC[C@@H](CC[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000760855661 680703398 /nfs/dbraw/zinc/70/33/98/680703398.db2.gz HAQHIHIGNNPZRR-WBVHZDCISA-N 1 1 353.484 2.198 20 10 FECDMO COCCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000835024647 680286520 /nfs/dbraw/zinc/28/65/20/680286520.db2.gz ACJMIOFTBNNWGR-UTSMFGRCSA-N 1 1 366.527 2.291 20 10 FECDMO COCCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000835024647 680286521 /nfs/dbraw/zinc/28/65/21/680286521.db2.gz ACJMIOFTBNNWGR-UTSMFGRCSA-N 1 1 366.527 2.291 20 10 FECDMO CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756533654 680483643 /nfs/dbraw/zinc/48/36/43/680483643.db2.gz GCNJPRKCNVMPMF-MRVPVSSYSA-N 1 1 354.241 2.379 20 10 FECDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1O ZINC000843058507 680985063 /nfs/dbraw/zinc/98/50/63/680985063.db2.gz UTJZIDYWUIJIMZ-YOEHRIQHSA-N 1 1 365.905 2.434 20 10 FECDMO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cccc(Br)c1O ZINC000843122347 680989070 /nfs/dbraw/zinc/98/90/70/680989070.db2.gz QTUMATNROALYLU-CYBMUJFWSA-N 1 1 351.248 2.035 20 10 FECDMO [NH3+]C[C@H]1CN(Cc2cc(Br)ccc2O)CC12CCOCC2 ZINC000843125518 680989322 /nfs/dbraw/zinc/98/93/22/680989322.db2.gz XONQZFJQTIBGSL-ZDUSSCGKSA-N 1 1 355.276 2.342 20 10 FECDMO C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ncc(C(=O)[O-])s1 ZINC000843306547 680997323 /nfs/dbraw/zinc/99/73/23/680997323.db2.gz UJHXZGSCXRPDAI-CYBMUJFWSA-N 1 1 360.483 2.444 20 10 FECDMO CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771054690 681039612 /nfs/dbraw/zinc/03/96/12/681039612.db2.gz VKAYLDABBAMSPR-WFASDCNBSA-N 1 1 367.877 2.041 20 10 FECDMO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058172 681039888 /nfs/dbraw/zinc/03/98/88/681039888.db2.gz LWLMVXMDFDIMIJ-CZUORRHYSA-N 1 1 351.878 2.078 20 10 FECDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058172 681039890 /nfs/dbraw/zinc/03/98/90/681039890.db2.gz LWLMVXMDFDIMIJ-CZUORRHYSA-N 1 1 351.878 2.078 20 10 FECDMO Cc1cc(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000932947501 681333562 /nfs/dbraw/zinc/33/35/62/681333562.db2.gz NFJLVRKYRZIKFK-QGZVFWFLSA-N 1 1 351.516 2.096 20 10 FECDMO CCC[N@H+]1CC[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000852630768 682311307 /nfs/dbraw/zinc/31/13/07/682311307.db2.gz XSHXKIYSTMSUOG-CYBMUJFWSA-N 1 1 356.264 2.438 20 10 FECDMO CC[NH+]1CCN(CCC[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858096627 682934073 /nfs/dbraw/zinc/93/40/73/682934073.db2.gz JPPVWLRKRVXWSN-UHFFFAOYSA-N 1 1 356.308 2.272 20 10 FECDMO O[C@@H]([C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877571645 686411913 /nfs/dbraw/zinc/41/19/13/686411913.db2.gz GVQRKFIJBIKUAV-PBHICJAKSA-N 1 1 358.404 2.393 20 10 FECDMO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@H]2CO)ccc1N1CCCCC1 ZINC000877779938 686455585 /nfs/dbraw/zinc/45/55/85/686455585.db2.gz ILWCPHVMBWAOGG-OAHLLOKOSA-N 1 1 351.472 2.495 20 10 FECDMO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@H]2CO)ccc1N1CCCCC1 ZINC000877779938 686455587 /nfs/dbraw/zinc/45/55/87/686455587.db2.gz ILWCPHVMBWAOGG-OAHLLOKOSA-N 1 1 351.472 2.495 20 10 FECDMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882967445 687536262 /nfs/dbraw/zinc/53/62/62/687536262.db2.gz HFVFAESCTNMFCL-SNVBAGLBSA-N 1 1 356.394 2.429 20 10 FECDMO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(F)cc(F)c2O)s1 ZINC000883071585 687556428 /nfs/dbraw/zinc/55/64/28/687556428.db2.gz GMORFBWWWYTETF-UHFFFAOYSA-N 1 1 362.423 2.108 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895837957 689778310 /nfs/dbraw/zinc/77/83/10/689778310.db2.gz YTOFQKHEDGIXTO-ZDUSSCGKSA-N 1 1 350.293 2.056 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CCNC(=O)CC23CCC3)c1O ZINC000895928128 689794374 /nfs/dbraw/zinc/79/43/74/689794374.db2.gz HQICIOAZHVRDBU-UHFFFAOYSA-N 1 1 369.259 2.408 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCNC(=O)CC23CCC3)c1O ZINC000895928128 689794377 /nfs/dbraw/zinc/79/43/77/689794377.db2.gz HQICIOAZHVRDBU-UHFFFAOYSA-N 1 1 369.259 2.408 20 10 FECDMO O=C(N1CCOCC1)C1([NH2+]Cc2cc(F)cc(F)c2O)CCCCC1 ZINC000897893718 690098250 /nfs/dbraw/zinc/09/82/50/690098250.db2.gz XJBGUIMSJLZFET-UHFFFAOYSA-N 1 1 354.397 2.322 20 10 FECDMO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n1 ZINC000052861943 540495328 /nfs/dbraw/zinc/49/53/28/540495328.db2.gz YKVCHYBAGCVHCO-QGZVFWFLSA-N 1 1 371.485 2.282 20 10 FECDMO Cc1noc([C@@H]2CCC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n1 ZINC000052861943 540495331 /nfs/dbraw/zinc/49/53/31/540495331.db2.gz YKVCHYBAGCVHCO-QGZVFWFLSA-N 1 1 371.485 2.282 20 10 FECDMO COc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)c1O ZINC000105649781 543178804 /nfs/dbraw/zinc/17/88/04/543178804.db2.gz QBOCJVOLHBHRTE-LJQANCHMSA-N 1 1 370.449 2.215 20 10 FECDMO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000150733734 544466066 /nfs/dbraw/zinc/46/60/66/544466066.db2.gz YRFAXSMFAICHBD-HNNXBMFYSA-N 1 1 356.470 2.187 20 10 FECDMO O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000805137354 674322082 /nfs/dbraw/zinc/32/20/82/674322082.db2.gz OIAMAPNOKWUGHU-CQSZACIVSA-N 1 1 368.275 2.438 20 10 FECDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000157062110 545695285 /nfs/dbraw/zinc/69/52/85/545695285.db2.gz OBJMFLXRSMBXTC-LLVKDONJSA-N 1 1 361.364 2.381 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000179486612 546963762 /nfs/dbraw/zinc/96/37/62/546963762.db2.gz IRMXVCNTALJYTD-ZDUSSCGKSA-N 1 1 369.259 2.406 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000179486612 546963766 /nfs/dbraw/zinc/96/37/66/546963766.db2.gz IRMXVCNTALJYTD-ZDUSSCGKSA-N 1 1 369.259 2.406 20 10 FECDMO COc1cccc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1O ZINC000190310560 548322154 /nfs/dbraw/zinc/32/21/54/548322154.db2.gz UXAVMNWAEZUGMZ-NRFANRHFSA-N 1 1 356.466 2.470 20 10 FECDMO COc1cccc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000190310560 548322161 /nfs/dbraw/zinc/32/21/61/548322161.db2.gz UXAVMNWAEZUGMZ-NRFANRHFSA-N 1 1 356.466 2.470 20 10 FECDMO COc1cccc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000190310560 548322164 /nfs/dbraw/zinc/32/21/64/548322164.db2.gz UXAVMNWAEZUGMZ-NRFANRHFSA-N 1 1 356.466 2.470 20 10 FECDMO O=C([C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1)N1CCOCC1 ZINC000191206439 548341329 /nfs/dbraw/zinc/34/13/29/548341329.db2.gz BMGFPNSPPQYSOA-LBPRGKRZSA-N 1 1 356.825 2.256 20 10 FECDMO O=C([C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1)N1CCOCC1 ZINC000191206439 548341334 /nfs/dbraw/zinc/34/13/34/548341334.db2.gz BMGFPNSPPQYSOA-LBPRGKRZSA-N 1 1 356.825 2.256 20 10 FECDMO C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1 ZINC000246881327 549233624 /nfs/dbraw/zinc/23/36/24/549233624.db2.gz BBWRLTIYLFTLSH-QFBILLFUSA-N 1 1 355.486 2.148 20 10 FECDMO CCN1CCC([NH2+]CCCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000263757131 549932067 /nfs/dbraw/zinc/93/20/67/549932067.db2.gz GMDSGOLWTFEPCE-UHFFFAOYSA-N 1 1 360.546 2.281 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000265525042 550010486 /nfs/dbraw/zinc/01/04/86/550010486.db2.gz JWRDEDRPYPCSNE-DOTOQJQBSA-N 1 1 373.419 2.099 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000265525042 550010489 /nfs/dbraw/zinc/01/04/89/550010489.db2.gz JWRDEDRPYPCSNE-DOTOQJQBSA-N 1 1 373.419 2.099 20 10 FECDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3cc4c(cc3O)OCO4)n2)c1 ZINC000278304227 550770812 /nfs/dbraw/zinc/77/08/12/550770812.db2.gz AEMBREQRSIMNCV-NSHDSACASA-N 1 1 353.382 2.460 20 10 FECDMO CCOC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278629503 550806076 /nfs/dbraw/zinc/80/60/76/550806076.db2.gz GQVBLLFFRLDYAU-UHFFFAOYSA-N 1 1 353.375 2.020 20 10 FECDMO COc1c(O)c(C[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278857300 550829389 /nfs/dbraw/zinc/82/93/89/550829389.db2.gz LQZHJNISMNJFFM-STQMWFEESA-N 1 1 367.446 2.286 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000288070051 552085102 /nfs/dbraw/zinc/08/51/02/552085102.db2.gz VHBNPZSUZQGICM-OAHLLOKOSA-N 1 1 361.486 2.120 20 10 FECDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cc(Br)ccc3O)[C@H]2C1 ZINC000293665916 552845323 /nfs/dbraw/zinc/84/53/23/552845323.db2.gz OIGDTNPNWRNNSQ-GOEBONIOSA-N 1 1 355.276 2.450 20 10 FECDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)[C@H]2C1 ZINC000293879436 552864770 /nfs/dbraw/zinc/86/47/70/552864770.db2.gz KYOQXRHNGXMFGN-RBUKOAKNSA-N 1 1 368.481 2.424 20 10 FECDMO CCN1CCN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2F)CC1 ZINC000293978525 552872470 /nfs/dbraw/zinc/87/24/70/552872470.db2.gz BMTRANVEBIZUCN-FUHWJXTLSA-N 1 1 362.493 2.101 20 10 FECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297081902 553251203 /nfs/dbraw/zinc/25/12/03/553251203.db2.gz PAXKJVOOYRNNSQ-CTXDPNEZSA-N 1 1 372.513 2.290 20 10 FECDMO CN1CC[NH+](Cc2ccc(CNC(=O)NCc3ccccc3O)cc2)CC1 ZINC000299554088 553580287 /nfs/dbraw/zinc/58/02/87/553580287.db2.gz YIIKDQYUJJDRPI-UHFFFAOYSA-N 1 1 368.481 2.139 20 10 FECDMO COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)c1O ZINC000364900806 555431347 /nfs/dbraw/zinc/43/13/47/555431347.db2.gz LBVUGTKOTHCMPR-ZDUSSCGKSA-N 1 1 358.442 2.205 20 10 FECDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000365338941 555547802 /nfs/dbraw/zinc/54/78/02/555547802.db2.gz SHTRDQSZIAQXJI-NXHRZFHOSA-N 1 1 361.486 2.423 20 10 FECDMO CN(C)c1ccc(C[N@@H+](C2CC2)[C@@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000369484716 556609190 /nfs/dbraw/zinc/60/91/90/556609190.db2.gz NPOUBKCYNABSFL-HXUWFJFHSA-N 1 1 357.498 2.497 20 10 FECDMO CCOc1cccc(C[N@H+]2CCCN(c3nccc(OC)n3)CC2)c1O ZINC000371420895 557181663 /nfs/dbraw/zinc/18/16/63/557181663.db2.gz IFZQJHRPIUHIGL-UHFFFAOYSA-N 1 1 358.442 2.302 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC[N@H+](C3CCOCC3)CC2)c1O ZINC000371861477 557314033 /nfs/dbraw/zinc/31/40/33/557314033.db2.gz ROPZNLFHBAQQKP-UHFFFAOYSA-N 1 1 350.434 2.421 20 10 FECDMO C[N@H+]1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1cccnc1 ZINC000372409334 557463299 /nfs/dbraw/zinc/46/32/99/557463299.db2.gz RPMMLMUAKAEBPH-ALTJJMMQSA-N 1 1 353.422 2.315 20 10 FECDMO CNC(=O)NC[C@@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000530104844 562398391 /nfs/dbraw/zinc/39/83/91/562398391.db2.gz PXXUTUNMZVNXAI-CYBMUJFWSA-N 1 1 373.453 2.147 20 10 FECDMO CNC(=O)NC[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000530104844 562398392 /nfs/dbraw/zinc/39/83/92/562398392.db2.gz PXXUTUNMZVNXAI-CYBMUJFWSA-N 1 1 373.453 2.147 20 10 FECDMO COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C)Cc1ccccc1O ZINC000737033713 598986380 /nfs/dbraw/zinc/98/63/80/598986380.db2.gz YHKUWVZWGMPIRO-UHFFFAOYSA-N 1 1 355.398 2.092 20 10 FECDMO CN(CCC[N@@H+](C)Cc1cccc(Br)c1[O-])CC[NH+](C)C ZINC000809787996 674510001 /nfs/dbraw/zinc/51/00/01/674510001.db2.gz LFILZXWWXNGDQX-UHFFFAOYSA-N 1 1 358.324 2.470 20 10 FECDMO Cc1cc(C[N@@H+](CCO)CCNC(=O)OC(C)(C)C)ccc1N(C)C ZINC000815094954 674916773 /nfs/dbraw/zinc/91/67/73/674916773.db2.gz QCGIERNTIHLQMQ-UHFFFAOYSA-N 1 1 351.491 2.380 20 10 FECDMO Cc1cc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)ccc1N(C)C ZINC000815117212 674920767 /nfs/dbraw/zinc/92/07/67/674920767.db2.gz AJUFYXFMAALKDE-KRWDZBQOSA-N 1 1 365.543 2.355 20 10 FECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000815117592 674920799 /nfs/dbraw/zinc/92/07/99/674920799.db2.gz HSJJHLHXFMISMV-QGZVFWFLSA-N 1 1 365.543 2.437 20 10 FECDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816488087 675059109 /nfs/dbraw/zinc/05/91/09/675059109.db2.gz IADNTTVGUXBUNS-GFCCVEGCSA-N 1 1 364.870 2.479 20 10 FECDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816488087 675059112 /nfs/dbraw/zinc/05/91/12/675059112.db2.gz IADNTTVGUXBUNS-GFCCVEGCSA-N 1 1 364.870 2.479 20 10 FECDMO Oc1c(Br)cccc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000093817767 670755590 /nfs/dbraw/zinc/75/55/90/670755590.db2.gz KKJVIIZPVZLHNQ-ZDUSSCGKSA-N 1 1 355.276 2.309 20 10 FECDMO COc1cc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164012504 672311630 /nfs/dbraw/zinc/31/16/30/672311630.db2.gz UFHVYOLMFVGPQK-CQSZACIVSA-N 1 1 370.515 2.212 20 10 FECDMO CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000179559540 672403195 /nfs/dbraw/zinc/40/31/95/672403195.db2.gz AVLFRPHVXHMKGD-UHFFFAOYSA-N 1 1 367.515 2.019 20 10 FECDMO O=S(=O)(N[C@@H]1CCC[N@H+](Cc2ccccc2O)C1)c1cccc(F)c1 ZINC000179569892 672403416 /nfs/dbraw/zinc/40/34/16/672403416.db2.gz CPJBXTXUMQECQH-MRXNPFEDSA-N 1 1 364.442 2.474 20 10 FECDMO COc1ccc(O)c(C[N@@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000180477330 672414304 /nfs/dbraw/zinc/41/43/04/672414304.db2.gz AWTYAJMIBSFCLY-UHFFFAOYSA-N 1 1 364.467 2.120 20 10 FECDMO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000734269578 673458436 /nfs/dbraw/zinc/45/84/36/673458436.db2.gz GPVNSFULUYUBJH-INIZCTEOSA-N 1 1 360.527 2.276 20 10 FECDMO COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)[NH+]3CCSCC3)C2)cc1 ZINC000819586369 675302806 /nfs/dbraw/zinc/30/28/06/675302806.db2.gz OHAWGUGEKGPTMI-JKSUJKDBSA-N 1 1 363.527 2.075 20 10 FECDMO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC000824608651 675613221 /nfs/dbraw/zinc/61/32/21/675613221.db2.gz LMDYOUABRFUTKC-RUZDIDTESA-N 1 1 369.483 2.067 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Cl ZINC000825886460 675672638 /nfs/dbraw/zinc/67/26/38/675672638.db2.gz PFBRHHLVZMJVCD-SJKOYZFVSA-N 1 1 351.834 2.307 20 10 FECDMO COCC[N@@H+](C)CCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000827019067 675723871 /nfs/dbraw/zinc/72/38/71/675723871.db2.gz DDXQLRTTWUSPCW-UHFFFAOYSA-N 1 1 362.499 2.014 20 10 FECDMO Cc1ccn(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000827096145 675728788 /nfs/dbraw/zinc/72/87/88/675728788.db2.gz RLTRMAMNDLHMGD-INIZCTEOSA-N 1 1 362.861 2.331 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827141605 675733308 /nfs/dbraw/zinc/73/33/08/675733308.db2.gz VCRANLKBZGMELJ-MFKMUULPSA-N 1 1 369.259 2.264 20 10 FECDMO COC1CCN(c2ccc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)cc2)CC1 ZINC000827802318 675780050 /nfs/dbraw/zinc/78/00/50/675780050.db2.gz BEOHLNSPOSXUGA-HNNXBMFYSA-N 1 1 354.516 2.167 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)cc2)CC1 ZINC000827802318 675780051 /nfs/dbraw/zinc/78/00/51/675780051.db2.gz BEOHLNSPOSXUGA-HNNXBMFYSA-N 1 1 354.516 2.167 20 10 FECDMO CC1(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000830627258 677051328 /nfs/dbraw/zinc/05/13/28/677051328.db2.gz HEUKZPUFCCXNFA-AWEZNQCLSA-N 1 1 358.891 2.482 20 10 FECDMO CC1(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000830627258 677051329 /nfs/dbraw/zinc/05/13/29/677051329.db2.gz HEUKZPUFCCXNFA-AWEZNQCLSA-N 1 1 358.891 2.482 20 10 FECDMO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839015109 680732885 /nfs/dbraw/zinc/73/28/85/680732885.db2.gz LFQRALBFEJSZND-LSDHHAIUSA-N 1 1 369.303 2.367 20 10 FECDMO OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839015109 680732887 /nfs/dbraw/zinc/73/28/87/680732887.db2.gz LFQRALBFEJSZND-LSDHHAIUSA-N 1 1 369.303 2.367 20 10 FECDMO C[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C[N@H+]1C1CC1 ZINC000762097449 680740440 /nfs/dbraw/zinc/74/04/40/680740440.db2.gz TXYVAMWOZWKVLJ-XHDPSFHLSA-N 1 1 363.845 2.435 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)c1 ZINC000840891304 680849879 /nfs/dbraw/zinc/84/98/79/680849879.db2.gz WSCPFOQQEUYSEK-LBPRGKRZSA-N 1 1 355.456 2.044 20 10 FECDMO COC(=O)c1cnc(SC[C@@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000834382166 680219840 /nfs/dbraw/zinc/21/98/40/680219840.db2.gz FOZNWSMEPFIQHC-AWEZNQCLSA-N 1 1 364.492 2.441 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000835054157 680291351 /nfs/dbraw/zinc/29/13/51/680291351.db2.gz NRKZFOATXVEOJH-WSGSOLELSA-N 1 1 363.527 2.266 20 10 FECDMO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1cc(Br)c(F)cc1O ZINC000756769009 680497196 /nfs/dbraw/zinc/49/71/96/680497196.db2.gz HOFCHEDDXZAYOH-HTQZYQBOSA-N 1 1 354.241 2.378 20 10 FECDMO O=S1(=O)CCC(O)(C[N@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000767400212 680910448 /nfs/dbraw/zinc/91/04/48/680910448.db2.gz VBOBQWPTLZYIOD-UHFFFAOYSA-N 1 1 353.484 2.077 20 10 FECDMO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(F)cc1O ZINC000842882483 680973297 /nfs/dbraw/zinc/97/32/97/680973297.db2.gz GYIZNQYONJEGDN-AAEUAGOBSA-N 1 1 351.399 2.417 20 10 FECDMO COC(=O)C[C@@]1([NH2+]Cc2cccc(Br)c2O)CCCOC1 ZINC000770680249 681023710 /nfs/dbraw/zinc/02/37/10/681023710.db2.gz SOQKFZOHZKYTJT-HNNXBMFYSA-N 1 1 358.232 2.357 20 10 FECDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000849605803 681763444 /nfs/dbraw/zinc/76/34/44/681763444.db2.gz JXJAJWWGDZHYTB-JKSUJKDBSA-N 1 1 362.861 2.131 20 10 FECDMO Cn1cc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c(Cl)n1 ZINC000856791095 682811475 /nfs/dbraw/zinc/81/14/75/682811475.db2.gz QAAIMCTWVXRUSF-UHFFFAOYSA-N 1 1 356.804 2.478 20 10 FECDMO C[N@@H+]1CCN(Cc2cc(F)ccc2O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603680 682898884 /nfs/dbraw/zinc/89/88/84/682898884.db2.gz KELDVXKPZYFIHK-OAHLLOKOSA-N 1 1 353.438 2.172 20 10 FECDMO C[N@H+]1CCN(Cc2cc(F)ccc2O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793603680 682898887 /nfs/dbraw/zinc/89/88/87/682898887.db2.gz KELDVXKPZYFIHK-OAHLLOKOSA-N 1 1 353.438 2.172 20 10 FECDMO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000798183692 683318936 /nfs/dbraw/zinc/31/89/36/683318936.db2.gz ZJKHOPOFGXCQPE-GHMZBOCLSA-N 1 1 366.405 2.486 20 10 FECDMO O=C(NCCCSc1nccs1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921447336 683471459 /nfs/dbraw/zinc/47/14/59/683471459.db2.gz FYFZBXJRWHTBCY-AWEZNQCLSA-N 1 1 370.544 2.178 20 10 FECDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862349851 683575291 /nfs/dbraw/zinc/57/52/91/683575291.db2.gz UGZVQDXCUGGGMY-STQMWFEESA-N 1 1 374.275 2.001 20 10 FECDMO Cn1ncc(I)c1C[NH2+]Cc1cc(F)ccc1O ZINC000877776764 686453998 /nfs/dbraw/zinc/45/39/98/686453998.db2.gz ZBNKMDAPOBHYJN-UHFFFAOYSA-N 1 1 361.158 2.159 20 10 FECDMO O=S(=O)(CC[NH2+]Cc1cc(F)cc(F)c1O)CCc1ccccc1 ZINC000883112213 687568281 /nfs/dbraw/zinc/56/82/81/687568281.db2.gz FFIXQAPJBDPGJK-UHFFFAOYSA-N 1 1 355.406 2.418 20 10 FECDMO C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cccc(C(F)(F)F)c1O ZINC000886736601 688298575 /nfs/dbraw/zinc/29/85/75/688298575.db2.gz FOZRVZYNQUZPER-SNVBAGLBSA-N 1 1 366.405 2.486 20 10 FECDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCc2cccc(Cl)c2O)cn1 ZINC000890761404 688963239 /nfs/dbraw/zinc/96/32/39/688963239.db2.gz QMFWOYONBXTQHE-GJZGRUSLSA-N 1 1 362.861 2.131 20 10 FECDMO C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000892030570 689142705 /nfs/dbraw/zinc/14/27/05/689142705.db2.gz AZKWCJLXLFMURJ-INIZCTEOSA-N 1 1 362.543 2.381 20 10 FECDMO COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c(O)c1OC ZINC000892113087 689152135 /nfs/dbraw/zinc/15/21/35/689152135.db2.gz VSMYQKITFHZZBG-ZFWWWQNUSA-N 1 1 357.472 2.197 20 10 FECDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2O)CCC1(F)F ZINC000895765935 689768433 /nfs/dbraw/zinc/76/84/33/689768433.db2.gz RUDHAOKYZJWGDI-GFCCVEGCSA-N 1 1 359.369 2.430 20 10 FECDMO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000896854527 689939771 /nfs/dbraw/zinc/93/97/71/689939771.db2.gz CPHMOBIASMWINM-GFCCVEGCSA-N 1 1 362.451 2.107 20 10 FECDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCCSc2nccs2)C1 ZINC000900684088 690547930 /nfs/dbraw/zinc/54/79/30/690547930.db2.gz VXYOZOLBDOFKCL-CYBMUJFWSA-N 1 1 371.528 2.017 20 10 FECDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCCSc2nccs2)C1 ZINC000900684088 690547931 /nfs/dbraw/zinc/54/79/31/690547931.db2.gz VXYOZOLBDOFKCL-CYBMUJFWSA-N 1 1 371.528 2.017 20 10 FECDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1cccc2nsnc21 ZINC000063864394 541190020 /nfs/dbraw/zinc/19/00/20/541190020.db2.gz JNRLKBLQZOQYBT-UHFFFAOYSA-N 1 1 362.480 2.448 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1scnc1C)cc2=O ZINC000066563133 541335760 /nfs/dbraw/zinc/33/57/60/541335760.db2.gz MXKMRIHVHDDTLB-UHFFFAOYSA-N 1 1 361.427 2.009 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)Cc1scnc1C)cc2=O ZINC000066563133 541335763 /nfs/dbraw/zinc/33/57/63/541335763.db2.gz MXKMRIHVHDDTLB-UHFFFAOYSA-N 1 1 361.427 2.009 20 10 FECDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000105179551 543163807 /nfs/dbraw/zinc/16/38/07/543163807.db2.gz XUTCHJBOFJPONF-IBGZPJMESA-N 1 1 374.529 2.443 20 10 FECDMO C[N@@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)Cc1ccccc1O ZINC000109773756 543338835 /nfs/dbraw/zinc/33/88/35/543338835.db2.gz BTGMYGFGGMTMPQ-QGZVFWFLSA-N 1 1 353.466 2.467 20 10 FECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000122522407 543707822 /nfs/dbraw/zinc/70/78/22/543707822.db2.gz RMAQPIXNLQISPC-IBGZPJMESA-N 1 1 357.429 2.321 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000122522407 543707823 /nfs/dbraw/zinc/70/78/23/543707823.db2.gz RMAQPIXNLQISPC-IBGZPJMESA-N 1 1 357.429 2.321 20 10 FECDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000128620992 544063023 /nfs/dbraw/zinc/06/30/23/544063023.db2.gz QXQWPLHAPRSICH-YLJYHZDGSA-N 1 1 374.529 2.395 20 10 FECDMO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178522946 546807499 /nfs/dbraw/zinc/80/74/99/546807499.db2.gz JWVHRFITCHAAKQ-INIZCTEOSA-N 1 1 365.493 2.160 20 10 FECDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000185042085 547922338 /nfs/dbraw/zinc/92/23/38/547922338.db2.gz ICHFYUCNZNITIP-OAHLLOKOSA-N 1 1 356.470 2.398 20 10 FECDMO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)cc1F ZINC000195276076 548609548 /nfs/dbraw/zinc/60/95/48/548609548.db2.gz CXPHIVZJVHTTDH-UHFFFAOYSA-N 1 1 370.428 2.092 20 10 FECDMO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)cc1F ZINC000195276076 548609553 /nfs/dbraw/zinc/60/95/53/548609553.db2.gz CXPHIVZJVHTTDH-UHFFFAOYSA-N 1 1 370.428 2.092 20 10 FECDMO C[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(C)(C)C ZINC000263748228 549930915 /nfs/dbraw/zinc/93/09/15/549930915.db2.gz GDHYIXUCWQYCQU-UHFFFAOYSA-N 1 1 351.466 2.256 20 10 FECDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000269455154 550197768 /nfs/dbraw/zinc/19/77/68/550197768.db2.gz IEKKHJIYPKGSBA-SFHVURJKSA-N 1 1 365.543 2.438 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)cc1OC ZINC000271123433 550343068 /nfs/dbraw/zinc/34/30/68/550343068.db2.gz YVIVBOQRWLXEDW-UHFFFAOYSA-N 1 1 370.405 2.137 20 10 FECDMO CCOc1cccc(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c1O ZINC000271136151 550343894 /nfs/dbraw/zinc/34/38/94/550343894.db2.gz MRKPFHVBQNZHHX-HOCLYGCPSA-N 1 1 350.459 2.154 20 10 FECDMO CCN(CC)c1ccc(C[NH+]2CCC(S(=O)(=O)NC)CC2)cc1F ZINC000271198488 550351668 /nfs/dbraw/zinc/35/16/68/550351668.db2.gz SLQWWKBEXPIYKD-UHFFFAOYSA-N 1 1 357.495 2.186 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1 ZINC000273559499 550503006 /nfs/dbraw/zinc/50/30/06/550503006.db2.gz HTNLWOYCTFTXET-HNNXBMFYSA-N 1 1 362.470 2.474 20 10 FECDMO COc1c(O)c(C[N@H+](C)CC(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000278316851 550772047 /nfs/dbraw/zinc/77/20/47/550772047.db2.gz XOVNSBQZDKWRFD-UHFFFAOYSA-N 1 1 367.446 2.099 20 10 FECDMO COc1c(O)c(C[N@@H+](C)CC(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000278316851 550772049 /nfs/dbraw/zinc/77/20/49/550772049.db2.gz XOVNSBQZDKWRFD-UHFFFAOYSA-N 1 1 367.446 2.099 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000284350596 551530764 /nfs/dbraw/zinc/53/07/64/551530764.db2.gz QBWDIEHJGRLYBN-QZTJIDSGSA-N 1 1 373.497 2.264 20 10 FECDMO C[N@@H+](CCn1cc(Br)cn1)Cc1cc2c(cc1O)OCO2 ZINC000288621246 552186404 /nfs/dbraw/zinc/18/64/04/552186404.db2.gz OKULFIRVDBBUIO-UHFFFAOYSA-N 1 1 354.204 2.212 20 10 FECDMO Cc1cc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)ccc1N(C)C ZINC000294298813 552894974 /nfs/dbraw/zinc/89/49/74/552894974.db2.gz WVVPFMLPRCQBMW-QGZVFWFLSA-N 1 1 351.516 2.061 20 10 FECDMO C[C@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[N@H+](C2CC2)C1 ZINC000295448563 553008476 /nfs/dbraw/zinc/00/84/76/553008476.db2.gz ATQLXQJKQBXDQA-CHHNCHTKSA-N 1 1 369.509 2.479 20 10 FECDMO COc1c(O)c(C[N@H+](C)CCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000296547618 553177877 /nfs/dbraw/zinc/17/78/77/553177877.db2.gz MPJSLVNBZQQZIR-UHFFFAOYSA-N 1 1 355.391 2.266 20 10 FECDMO COc1c(O)c(C[N@@H+](C)CCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000296547618 553177879 /nfs/dbraw/zinc/17/78/79/553177879.db2.gz MPJSLVNBZQQZIR-UHFFFAOYSA-N 1 1 355.391 2.266 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000296657427 553194648 /nfs/dbraw/zinc/19/46/48/553194648.db2.gz JPBAVYAUPFZUET-CQSZACIVSA-N 1 1 370.421 2.051 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000296657427 553194650 /nfs/dbraw/zinc/19/46/50/553194650.db2.gz JPBAVYAUPFZUET-CQSZACIVSA-N 1 1 370.421 2.051 20 10 FECDMO COCC[N@@H+](C)CCCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298897641 553486594 /nfs/dbraw/zinc/48/65/94/553486594.db2.gz XVNCHPXABXAZCF-UHFFFAOYSA-N 1 1 362.518 2.395 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccncc3)CC2)cc1 ZINC000299492721 553570830 /nfs/dbraw/zinc/57/08/30/553570830.db2.gz HORJVZOMSBSFGL-UHFFFAOYSA-N 1 1 355.442 2.034 20 10 FECDMO C[N@@H+](CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)Cc1ccccc1O ZINC000363398599 555095088 /nfs/dbraw/zinc/09/50/88/555095088.db2.gz LXEBRRBNHIDSEI-UHFFFAOYSA-N 1 1 373.497 2.075 20 10 FECDMO O=C(C[N@H+]1CC[C@H](C2CC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000363488876 555118377 /nfs/dbraw/zinc/11/83/77/555118377.db2.gz JLAQQUCLWSLRIW-KRWDZBQOSA-N 1 1 361.461 2.010 20 10 FECDMO COc1cc(Cl)cc(CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1O ZINC000363909066 555211348 /nfs/dbraw/zinc/21/13/48/555211348.db2.gz MUAKMGDJNWQKID-JKSUJKDBSA-N 1 1 354.878 2.475 20 10 FECDMO COc1ccc(N2CCC[N@@H+](C[C@@H](O)COCC(F)(F)F)CC2)cc1 ZINC000366414310 555836903 /nfs/dbraw/zinc/83/69/03/555836903.db2.gz JJHFFOPLXWXBLU-OAHLLOKOSA-N 1 1 362.392 2.147 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000368874199 556435334 /nfs/dbraw/zinc/43/53/34/556435334.db2.gz DIMGVXUWHZMUEN-LJQANCHMSA-N 1 1 355.486 2.245 20 10 FECDMO COc1c(O)c(C[NH+]2CCC(NC(=O)C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000369321959 556574457 /nfs/dbraw/zinc/57/44/57/556574457.db2.gz OGZUJQXQGMYWLN-UHFFFAOYSA-N 1 1 363.414 2.190 20 10 FECDMO CN(C)c1ccc(C[N@@H+](C2CC2)[C@H]2CCN(C3CCOCC3)C2=O)cc1 ZINC000369484715 556609166 /nfs/dbraw/zinc/60/91/66/556609166.db2.gz NPOUBKCYNABSFL-FQEVSTJZSA-N 1 1 357.498 2.497 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)c1 ZINC000369517455 556617901 /nfs/dbraw/zinc/61/79/01/556617901.db2.gz GUUZLBUCOFTISG-ZDUSSCGKSA-N 1 1 358.442 2.205 20 10 FECDMO CCN(CC)c1ccc(C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)cc1F ZINC000371332412 557149664 /nfs/dbraw/zinc/14/96/64/557149664.db2.gz PELVURLTZHHBGY-UHFFFAOYSA-N 1 1 359.449 2.490 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCCN(CC(=O)NC(C)C)CC2)c(O)c1 ZINC000372392038 557459128 /nfs/dbraw/zinc/45/91/28/557459128.db2.gz SGJKXAWBLOOFSN-UHFFFAOYSA-N 1 1 363.502 2.213 20 10 FECDMO C[C@@H]1C[N@H+](C2CCN(C(=O)NCc3ccc4c(c3)CCN4C)CC2)CCO1 ZINC000372463143 557477458 /nfs/dbraw/zinc/47/74/58/557477458.db2.gz GFBQUGKYJIWVCL-MRXNPFEDSA-N 1 1 372.513 2.074 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](O)c3ccccc3C2)cc1 ZINC000373245814 557657720 /nfs/dbraw/zinc/65/77/20/557657720.db2.gz SDLPNZKGFAJGBF-HXUWFJFHSA-N 1 1 353.466 2.308 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](O)c3ccccc3C2)cc1 ZINC000373245814 557657721 /nfs/dbraw/zinc/65/77/21/557657721.db2.gz SDLPNZKGFAJGBF-HXUWFJFHSA-N 1 1 353.466 2.308 20 10 FECDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000374805375 557934069 /nfs/dbraw/zinc/93/40/69/557934069.db2.gz IOQBDQACLRZZDY-UZFADEEESA-N 1 1 360.454 2.117 20 10 FECDMO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)nn1 ZINC000375174374 557987274 /nfs/dbraw/zinc/98/72/74/557987274.db2.gz GJAHPNWAUPEIKJ-CQSZACIVSA-N 1 1 361.421 2.107 20 10 FECDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000377617409 558378166 /nfs/dbraw/zinc/37/81/66/558378166.db2.gz VTZKFVQWOYCNDO-PKOBYXMFSA-N 1 1 362.470 2.009 20 10 FECDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000377617409 558378169 /nfs/dbraw/zinc/37/81/69/558378169.db2.gz VTZKFVQWOYCNDO-PKOBYXMFSA-N 1 1 362.470 2.009 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1 ZINC000377708715 558402447 /nfs/dbraw/zinc/40/24/47/558402447.db2.gz XQMYSFWIUKITSW-HZPDHXFCSA-N 1 1 364.442 2.270 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000378440241 558558163 /nfs/dbraw/zinc/55/81/63/558558163.db2.gz AQOMWJUTFFFGQW-CVEARBPZSA-N 1 1 361.442 2.231 20 10 FECDMO COc1ccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)cc1F ZINC000826209508 608836333 /nfs/dbraw/zinc/83/63/33/608836333.db2.gz FNUKJGFZQIQYAN-UHFFFAOYSA-N 1 1 374.445 2.398 20 10 FECDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C(=O)N1c1cnn(C)c1 ZINC000816554661 675064850 /nfs/dbraw/zinc/06/48/50/675064850.db2.gz FLMNALKEVJYSFJ-OTYXRUKQSA-N 1 1 352.797 2.202 20 10 FECDMO COc1ccc(N2CCC(NC(=O)[C@@H](C)[NH+]3CCSCC3)CC2)cc1 ZINC000125103566 672006795 /nfs/dbraw/zinc/00/67/95/672006795.db2.gz VZXKLCVPFPYZBQ-OAHLLOKOSA-N 1 1 363.527 2.218 20 10 FECDMO CCCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160769799 672293624 /nfs/dbraw/zinc/29/36/24/672293624.db2.gz ZWHLZHRXIYEYHK-LJQANCHMSA-N 1 1 366.527 2.312 20 10 FECDMO CCCNC(=O)NC(=O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000174423781 672360991 /nfs/dbraw/zinc/36/09/91/672360991.db2.gz VRXRXOMICHNLOQ-UHFFFAOYSA-N 1 1 372.263 2.212 20 10 FECDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000819824454 675316377 /nfs/dbraw/zinc/31/63/77/675316377.db2.gz KSYJYXXHPLTZCG-JKSUJKDBSA-N 1 1 359.495 2.437 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 ZINC000824832701 675624484 /nfs/dbraw/zinc/62/44/84/675624484.db2.gz ZJOMYYNJZVTUND-AAEUAGOBSA-N 1 1 358.360 2.243 20 10 FECDMO CC1=NO[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544628 677046350 /nfs/dbraw/zinc/04/63/50/677046350.db2.gz SBIQNIJSXCYLJS-HOCLYGCPSA-N 1 1 351.834 2.291 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(Cl)c1 ZINC000840941332 680855347 /nfs/dbraw/zinc/85/53/47/680855347.db2.gz XHTWDPNJEYDUIH-ZDUSSCGKSA-N 1 1 358.891 2.354 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@H](CO)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000840964732 680857599 /nfs/dbraw/zinc/85/75/99/680857599.db2.gz ZVUKVMOPQRUHKR-CYBMUJFWSA-N 1 1 350.346 2.314 20 10 FECDMO COC(=O)CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C[C@H]1CCCO1 ZINC000750819370 680134666 /nfs/dbraw/zinc/13/46/66/680134666.db2.gz ADYQPKVOLOAHPE-OAHLLOKOSA-N 1 1 353.390 2.278 20 10 FECDMO CCC(CC)[C@@H](CNC(=O)c1ccc(C)c(O)c1O)[NH+]1CCOCC1 ZINC000751533573 680185937 /nfs/dbraw/zinc/18/59/37/680185937.db2.gz PJQJUEJRUFQNNX-MRXNPFEDSA-N 1 1 350.459 2.273 20 10 FECDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754723370 680373207 /nfs/dbraw/zinc/37/32/07/680373207.db2.gz QZHVVRXSBFZMLQ-LSDHHAIUSA-N 1 1 350.459 2.072 20 10 FECDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754738376 680374391 /nfs/dbraw/zinc/37/43/91/680374391.db2.gz AEBNHTYBEIRZJE-CQSZACIVSA-N 1 1 370.515 2.212 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000756780392 680497588 /nfs/dbraw/zinc/49/75/88/680497588.db2.gz TWPYWWQUBYQFRM-GFCCVEGCSA-N 1 1 355.456 2.044 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1[O-] ZINC000842478544 680949521 /nfs/dbraw/zinc/94/95/21/680949521.db2.gz HTZBVJAYDMWFPV-MJGOQNOKSA-N 1 1 350.434 2.452 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1O ZINC000842478544 680949522 /nfs/dbraw/zinc/94/95/22/680949522.db2.gz HTZBVJAYDMWFPV-MJGOQNOKSA-N 1 1 350.434 2.452 20 10 FECDMO [NH3+][C@@H]1CCN(Cc2cc(Br)cc(Br)c2O)C1 ZINC000843045541 680984652 /nfs/dbraw/zinc/98/46/52/680984652.db2.gz USOJVSSTJKXXGZ-SECBINFHSA-N 1 1 350.054 2.450 20 10 FECDMO COc1ccc(N2CC[NH+](CCNc3cncc(SC)n3)CC2)cc1 ZINC000770111755 681005939 /nfs/dbraw/zinc/00/59/39/681005939.db2.gz IZHSIPDPFLHMPU-UHFFFAOYSA-N 1 1 359.499 2.441 20 10 FECDMO Fc1cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)ccc1N1CCOCC1 ZINC000770278690 681011520 /nfs/dbraw/zinc/01/15/20/681011520.db2.gz CMDVUZSLVVGQTF-QZTJIDSGSA-N 1 1 352.475 2.369 20 10 FECDMO COc1ccc(N(C)CC[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000844401742 681056699 /nfs/dbraw/zinc/05/66/99/681056699.db2.gz PLNFEAXLMCAHQM-HNNXBMFYSA-N 1 1 359.392 2.226 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)c1 ZINC000850502895 681908997 /nfs/dbraw/zinc/90/89/97/681908997.db2.gz SQDVTGYHOSYVJL-GZIXRCOHSA-N 1 1 351.443 2.396 20 10 FECDMO COc1ccc(N2CC[NH+](CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1F ZINC000851808093 682142242 /nfs/dbraw/zinc/14/22/42/682142242.db2.gz KYZAFXIHVGFEEE-HZPDHXFCSA-N 1 1 351.466 2.066 20 10 FECDMO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1cc(C)c(C)cc1O)C2 ZINC000789489302 682609671 /nfs/dbraw/zinc/60/96/71/682609671.db2.gz CVUQFYJEQVYJKF-UHFFFAOYSA-N 1 1 360.479 2.475 20 10 FECDMO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cc(C)c(C)cc1O)C2 ZINC000789489302 682609674 /nfs/dbraw/zinc/60/96/74/682609674.db2.gz CVUQFYJEQVYJKF-UHFFFAOYSA-N 1 1 360.479 2.475 20 10 FECDMO Cn1ccnc1CN1CCC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1=O ZINC000790986186 682718086 /nfs/dbraw/zinc/71/80/86/682718086.db2.gz IMMATBBSALLQTR-ZDUSSCGKSA-N 1 1 366.824 2.199 20 10 FECDMO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000793231828 682874405 /nfs/dbraw/zinc/87/44/05/682874405.db2.gz RAEWCBSGDCDOQZ-HNAYVOBHSA-N 1 1 350.434 2.042 20 10 FECDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000793231828 682874407 /nfs/dbraw/zinc/87/44/07/682874407.db2.gz RAEWCBSGDCDOQZ-HNAYVOBHSA-N 1 1 350.434 2.042 20 10 FECDMO COc1cc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793589324 682897526 /nfs/dbraw/zinc/89/75/26/682897526.db2.gz NUDHVEGDPRUMTB-AWEZNQCLSA-N 1 1 370.515 2.164 20 10 FECDMO CCOC(=O)[C@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC12COC2 ZINC000862381762 683580658 /nfs/dbraw/zinc/58/06/58/683580658.db2.gz IUHRJMOBNVHCBH-CYBMUJFWSA-N 1 1 354.397 2.042 20 10 FECDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC12COC2 ZINC000862381762 683580663 /nfs/dbraw/zinc/58/06/63/683580663.db2.gz IUHRJMOBNVHCBH-CYBMUJFWSA-N 1 1 354.397 2.042 20 10 FECDMO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cc(F)cc(F)c2O)CCC1 ZINC000922473279 683730444 /nfs/dbraw/zinc/73/04/44/683730444.db2.gz YKSCSKDSAHDATO-UHFFFAOYSA-N 1 1 362.442 2.401 20 10 FECDMO O[C@H]([C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877571647 686411926 /nfs/dbraw/zinc/41/19/26/686411926.db2.gz GVQRKFIJBIKUAV-WMLDXEAASA-N 1 1 358.404 2.393 20 10 FECDMO CC(C)c1c[nH]c(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 ZINC000882996305 687543038 /nfs/dbraw/zinc/54/30/38/687543038.db2.gz KXUNFJLDIIKAMA-UHFFFAOYSA-N 1 1 362.499 2.058 20 10 FECDMO CCCC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000891477832 689066553 /nfs/dbraw/zinc/06/65/53/689066553.db2.gz PAEZKFATTUCDBC-CQSZACIVSA-N 1 1 357.472 2.199 20 10 FECDMO Oc1c(F)cc(Br)cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000895345492 689699940 /nfs/dbraw/zinc/69/99/40/689699940.db2.gz UXQGFFTWFQIYMX-AWEZNQCLSA-N 1 1 373.266 2.325 20 10 FECDMO Oc1c(F)cc(Br)cc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000895345492 689699944 /nfs/dbraw/zinc/69/99/44/689699944.db2.gz UXQGFFTWFQIYMX-AWEZNQCLSA-N 1 1 373.266 2.325 20 10 FECDMO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895837956 689778346 /nfs/dbraw/zinc/77/83/46/689778346.db2.gz RZTAGJDTCRZLQP-QGZVFWFLSA-N 1 1 358.404 2.394 20 10 FECDMO C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C[NH+]1CCOCC1 ZINC000896500954 689881567 /nfs/dbraw/zinc/88/15/67/689881567.db2.gz JHDJZGCIVDZMBE-NSHDSACASA-N 1 1 350.440 2.011 20 10 FECDMO COC[C@@H]1CC[C@H]([C@H]2COCC[N@@H+]2Cc2cc(C)cc(OC)c2O)O1 ZINC000902537581 690775812 /nfs/dbraw/zinc/77/58/12/690775812.db2.gz NTBXEMUIXFTEQB-GVDBMIGSSA-N 1 1 351.443 2.104 20 10 FECDMO COC[C@@H]1CC[C@H]([C@H]2COCC[N@H+]2Cc2cc(C)cc(OC)c2O)O1 ZINC000902537581 690775813 /nfs/dbraw/zinc/77/58/13/690775813.db2.gz NTBXEMUIXFTEQB-GVDBMIGSSA-N 1 1 351.443 2.104 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000072878903 541887300 /nfs/dbraw/zinc/88/73/00/541887300.db2.gz PONJIYJGBIFOPX-UHFFFAOYSA-N 1 1 370.478 2.225 20 10 FECDMO CS(=O)(=O)N1CC[C@@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000801517037 674133161 /nfs/dbraw/zinc/13/31/61/674133161.db2.gz JNNSWQVRGKYBJR-HNNXBMFYSA-N 1 1 352.500 2.418 20 10 FECDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075611474 542192247 /nfs/dbraw/zinc/19/22/47/542192247.db2.gz IVKOMOBBIUSJRD-LJQANCHMSA-N 1 1 373.457 2.275 20 10 FECDMO COc1cccc(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)c1O ZINC000092535842 542869619 /nfs/dbraw/zinc/86/96/19/542869619.db2.gz XRWPANXOBUGYNR-UHFFFAOYSA-N 1 1 358.413 2.427 20 10 FECDMO COCCOc1cccc(CNC(=O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000109769081 543338844 /nfs/dbraw/zinc/33/88/44/543338844.db2.gz NAIUOHWJYPUROY-UHFFFAOYSA-N 1 1 358.438 2.166 20 10 FECDMO COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)cc1 ZINC000112583492 543453103 /nfs/dbraw/zinc/45/31/03/543453103.db2.gz DIEKSMIDLYXMIO-AWEZNQCLSA-N 1 1 356.422 2.316 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](C)c1ccccn1)cc2=O ZINC000128106315 544032897 /nfs/dbraw/zinc/03/28/97/544032897.db2.gz LRIBXUZTTAVQQO-LBPRGKRZSA-N 1 1 355.398 2.200 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@@H](C)c1ccccn1)cc2=O ZINC000128106315 544032900 /nfs/dbraw/zinc/03/29/00/544032900.db2.gz LRIBXUZTTAVQQO-LBPRGKRZSA-N 1 1 355.398 2.200 20 10 FECDMO CCOCCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261785 544300744 /nfs/dbraw/zinc/30/07/44/544300744.db2.gz LEBBTPGZZBHOLC-MRXNPFEDSA-N 1 1 370.877 2.179 20 10 FECDMO C[N@@H+](CC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCSC1 ZINC000804737427 674299462 /nfs/dbraw/zinc/29/94/62/674299462.db2.gz QUVYJZZQSQYRSV-GFCCVEGCSA-N 1 1 359.289 2.208 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCN(c3nc(C)ns3)CC2)cc1OC ZINC000160310169 546027997 /nfs/dbraw/zinc/02/79/97/546027997.db2.gz RUIMEHXFWRYZNK-UHFFFAOYSA-N 1 1 364.471 2.282 20 10 FECDMO COCCC[N@H+](C)CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166844200 546157753 /nfs/dbraw/zinc/15/77/53/546157753.db2.gz IOCMRPWLUZRBJZ-MRXNPFEDSA-N 1 1 353.482 2.281 20 10 FECDMO COCCC[N@@H+](C)CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000166844200 546157760 /nfs/dbraw/zinc/15/77/60/546157760.db2.gz IOCMRPWLUZRBJZ-MRXNPFEDSA-N 1 1 353.482 2.281 20 10 FECDMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)cc1OC ZINC000179555623 546976564 /nfs/dbraw/zinc/97/65/64/546976564.db2.gz WRURNUUJBIGISP-UHFFFAOYSA-N 1 1 356.422 2.367 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1O ZINC000184687988 547865735 /nfs/dbraw/zinc/86/57/35/547865735.db2.gz HRWMWRHOKYPGMG-OAHLLOKOSA-N 1 1 368.861 2.268 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1O ZINC000184687988 547865740 /nfs/dbraw/zinc/86/57/40/547865740.db2.gz HRWMWRHOKYPGMG-OAHLLOKOSA-N 1 1 368.861 2.268 20 10 FECDMO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191303042 548343121 /nfs/dbraw/zinc/34/31/21/548343121.db2.gz HGJUOEZVLOLPRF-UHFFFAOYSA-N 1 1 362.854 2.231 20 10 FECDMO Cc1cc(Br)cc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)c1O ZINC000529667996 562380525 /nfs/dbraw/zinc/38/05/25/562380525.db2.gz CSMCXACLPJWVTL-IYBDPMFKSA-N 1 1 358.276 2.276 20 10 FECDMO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271049023 550335064 /nfs/dbraw/zinc/33/50/64/550335064.db2.gz NUPAAIPXYZCHLS-UHFFFAOYSA-N 1 1 357.495 2.186 20 10 FECDMO COc1cc(O)c(C[NH+]2CCN(C3=NC[C@@H](C)S3)CC2)cc1OC ZINC000271809783 550403264 /nfs/dbraw/zinc/40/32/64/550403264.db2.gz LVPHCZNVDKOTGD-GFCCVEGCSA-N 1 1 351.472 2.018 20 10 FECDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000272282502 550433837 /nfs/dbraw/zinc/43/38/37/550433837.db2.gz BVIPNULNLYHMSI-AZUAARDMSA-N 1 1 372.513 2.149 20 10 FECDMO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCCO1 ZINC000277826450 550718488 /nfs/dbraw/zinc/71/84/88/550718488.db2.gz XIOCQPVMZSUOEK-QGZVFWFLSA-N 1 1 362.518 2.395 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278143715 550754002 /nfs/dbraw/zinc/75/40/02/550754002.db2.gz BJEYLRAKHNKVCF-GXFFZTMASA-N 1 1 350.293 2.197 20 10 FECDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000278400864 550781585 /nfs/dbraw/zinc/78/15/85/550781585.db2.gz UDEZSVUNAIZVGZ-INIZCTEOSA-N 1 1 360.502 2.147 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(O)c1 ZINC000279474140 550894263 /nfs/dbraw/zinc/89/42/63/550894263.db2.gz SNJVTNUOHRCECB-MRXNPFEDSA-N 1 1 368.499 2.181 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282990731 551294492 /nfs/dbraw/zinc/29/44/92/551294492.db2.gz FNSMKFAFBXSUIB-JCKWVBRZSA-N 1 1 363.454 2.397 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000288960818 552244149 /nfs/dbraw/zinc/24/41/49/552244149.db2.gz HEXNYJWKZFYQIG-YJBOKZPZSA-N 1 1 373.497 2.120 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)/C=C/c3cccnc3)CC2)cc1 ZINC000299499708 553572103 /nfs/dbraw/zinc/57/21/03/553572103.db2.gz LXCGTRQHPDNTPE-RUDMXATFSA-N 1 1 366.465 2.042 20 10 FECDMO Cc1cc(C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)c(C)n1-c1ccccn1 ZINC000364592198 555347099 /nfs/dbraw/zinc/34/70/99/555347099.db2.gz QWSLMRKUOOAZGS-UHFFFAOYSA-N 1 1 370.497 2.408 20 10 FECDMO C[C@H](CNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)C[NH+]1CCOCC1 ZINC000365046760 555472601 /nfs/dbraw/zinc/47/26/01/555472601.db2.gz SKISZBCDLLEADW-QGZVFWFLSA-N 1 1 372.513 2.130 20 10 FECDMO COc1ccc(N2CCC([N@@H+](C)CC(=O)Nc3nncs3)CC2)cc1 ZINC000365715742 555649000 /nfs/dbraw/zinc/64/90/00/555649000.db2.gz KTLZUMJMPKWIQQ-UHFFFAOYSA-N 1 1 361.471 2.086 20 10 FECDMO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000368052771 556205710 /nfs/dbraw/zinc/20/57/10/556205710.db2.gz YQKUTBXFIMGIJX-LJQANCHMSA-N 1 1 372.557 2.124 20 10 FECDMO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000368052771 556205713 /nfs/dbraw/zinc/20/57/13/556205713.db2.gz YQKUTBXFIMGIJX-LJQANCHMSA-N 1 1 372.557 2.124 20 10 FECDMO CCn1ccnc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1=O ZINC000368464366 556317256 /nfs/dbraw/zinc/31/72/56/556317256.db2.gz ACBUEZYZINVFSK-OAHLLOKOSA-N 1 1 362.861 2.699 20 10 FECDMO COc1cc(O)c(C[NH+]2CCC(CCN3CCOCC3)CC2)cc1OC ZINC000371357820 557159287 /nfs/dbraw/zinc/15/92/87/557159287.db2.gz RFDZICMCDCTCCV-UHFFFAOYSA-N 1 1 364.486 2.344 20 10 FECDMO COCc1nccc([C@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000372435551 557470010 /nfs/dbraw/zinc/47/00/10/557470010.db2.gz LIUWMXWEXUQGMN-ZDUSSCGKSA-N 1 1 357.410 2.437 20 10 FECDMO O=S(=O)(NC1CC[NH+](Cc2cccc(F)c2O)CC1)c1ccccc1 ZINC000374917385 557951337 /nfs/dbraw/zinc/95/13/37/557951337.db2.gz YCFOLHMMNVMDGQ-UHFFFAOYSA-N 1 1 364.442 2.474 20 10 FECDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377667548 558391129 /nfs/dbraw/zinc/39/11/29/558391129.db2.gz DNTDMHXSFLBRAU-KRWDZBQOSA-N 1 1 372.387 2.451 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826210491 608590542 /nfs/dbraw/zinc/59/05/42/608590542.db2.gz UDRFARIROZEXKO-GOSISDBHSA-N 1 1 367.409 2.154 20 10 FECDMO Cc1cc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)ccc1N(C)C ZINC000815020872 674899128 /nfs/dbraw/zinc/89/91/28/674899128.db2.gz JNVCUERBOMWLOJ-QGZVFWFLSA-N 1 1 353.532 2.355 20 10 FECDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000816537411 675063538 /nfs/dbraw/zinc/06/35/38/675063538.db2.gz DYZTULJECGQFLX-INIZCTEOSA-N 1 1 360.882 2.482 20 10 FECDMO COc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2O)ccc1OCC(N)=O ZINC000816541532 675063846 /nfs/dbraw/zinc/06/38/46/675063846.db2.gz OPMICZLTNJRYQJ-UHFFFAOYSA-N 1 1 368.792 2.347 20 10 FECDMO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000093413953 670753021 /nfs/dbraw/zinc/75/30/21/670753021.db2.gz XOLZHRYYEBMRHH-INIZCTEOSA-N 1 1 354.516 2.168 20 10 FECDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000093413953 670753025 /nfs/dbraw/zinc/75/30/25/670753025.db2.gz XOLZHRYYEBMRHH-INIZCTEOSA-N 1 1 354.516 2.168 20 10 FECDMO COc1ccc(N2CCC(NC(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)cc1 ZINC000155399979 672232674 /nfs/dbraw/zinc/23/26/74/672232674.db2.gz DCGYEGWLZOSDMG-KRWDZBQOSA-N 1 1 363.527 2.218 20 10 FECDMO O=S(=O)(c1ccccc1)N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000179979908 672407488 /nfs/dbraw/zinc/40/74/88/672407488.db2.gz OXYGFRHJDPSAEL-UHFFFAOYSA-N 1 1 364.442 2.428 20 10 FECDMO O=S(=O)(c1ccccc1)N1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000179979908 672407489 /nfs/dbraw/zinc/40/74/89/672407489.db2.gz OXYGFRHJDPSAEL-UHFFFAOYSA-N 1 1 364.442 2.428 20 10 FECDMO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066100 675410820 /nfs/dbraw/zinc/41/08/20/675410820.db2.gz VHNMEVPZJMPWNO-YOEHRIQHSA-N 1 1 365.905 2.468 20 10 FECDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066100 675410821 /nfs/dbraw/zinc/41/08/21/675410821.db2.gz VHNMEVPZJMPWNO-YOEHRIQHSA-N 1 1 365.905 2.468 20 10 FECDMO Cc1cc(O)c(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1Cl ZINC000824905775 675628263 /nfs/dbraw/zinc/62/82/63/675628263.db2.gz COTCQAUSXNFJJN-INIZCTEOSA-N 1 1 351.878 2.092 20 10 FECDMO Cc1cc(Br)cc(CN2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC000827118506 675730863 /nfs/dbraw/zinc/73/08/63/675730863.db2.gz CJJWLUSZWKFCAA-HNNXBMFYSA-N 1 1 355.276 2.370 20 10 FECDMO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](C)S(C)(=O)=O ZINC000827945627 675788223 /nfs/dbraw/zinc/78/82/23/675788223.db2.gz YATGOUXFZROQFW-SNVBAGLBSA-N 1 1 350.278 2.410 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](C)S(C)(=O)=O ZINC000827945627 675788224 /nfs/dbraw/zinc/78/82/24/675788224.db2.gz YATGOUXFZROQFW-SNVBAGLBSA-N 1 1 350.278 2.410 20 10 FECDMO Cc1cc(O)c(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1 ZINC000840943347 680855484 /nfs/dbraw/zinc/85/54/84/680855484.db2.gz OELZIPAKVAMSKU-UHFFFAOYSA-N 1 1 358.891 2.354 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1 ZINC000840943347 680855486 /nfs/dbraw/zinc/85/54/86/680855486.db2.gz OELZIPAKVAMSKU-UHFFFAOYSA-N 1 1 358.891 2.354 20 10 FECDMO CCCN(CCC)S(=O)(=O)N1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000754152922 680340290 /nfs/dbraw/zinc/34/02/90/680340290.db2.gz BAGATOMCZLHVMJ-UHFFFAOYSA-N 1 1 369.531 2.185 20 10 FECDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CCSCC4)cc3)C[C@@H]21 ZINC000836242482 680440290 /nfs/dbraw/zinc/44/02/90/680440290.db2.gz NIZZVLOKBHMSMR-AEFFLSMTSA-N 1 1 360.527 2.085 20 10 FECDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1C[NH2+]CCC1(F)F ZINC000842007678 680921612 /nfs/dbraw/zinc/92/16/12/680921612.db2.gz ZLILEMWMCQZJEF-JTQLQIEISA-N 1 1 354.184 2.495 20 10 FECDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768441337 680947117 /nfs/dbraw/zinc/94/71/17/680947117.db2.gz YOEYSUBLAIFAKV-CABCVRRESA-N 1 1 350.459 2.072 20 10 FECDMO CCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000774839143 681240396 /nfs/dbraw/zinc/24/03/96/681240396.db2.gz BKQAHHFRBIWYRP-UHFFFAOYSA-N 1 1 351.403 2.190 20 10 FECDMO Cn1ccnc1C[NH+]1CCC(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846473601 681246387 /nfs/dbraw/zinc/24/63/87/681246387.db2.gz UWMRHIDTAIIUMX-UHFFFAOYSA-N 1 1 362.861 2.308 20 10 FECDMO CC1(C)CN(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591207 681400562 /nfs/dbraw/zinc/40/05/62/681400562.db2.gz RSRSLFFPHQDIFU-INIZCTEOSA-N 1 1 365.905 2.468 20 10 FECDMO COCCC[N@@H+](CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000783727794 682170804 /nfs/dbraw/zinc/17/08/04/682170804.db2.gz DRTKRTZWSDTFCJ-UHFFFAOYSA-N 1 1 351.447 2.416 20 10 FECDMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C3=CC(=O)CS3)n2)c1C ZINC000791028493 682719917 /nfs/dbraw/zinc/71/99/17/682719917.db2.gz MMBGZQKTKIUMRO-UHFFFAOYSA-N 1 1 359.411 2.366 20 10 FECDMO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccncc3Cl)cc2)CC1 ZINC000858136437 682937647 /nfs/dbraw/zinc/93/76/47/682937647.db2.gz SOECGNVPLYAECJ-UHFFFAOYSA-N 1 1 365.886 2.260 20 10 FECDMO C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Br)c(F)cc1O ZINC000927137969 683211848 /nfs/dbraw/zinc/21/18/48/683211848.db2.gz YQIJMAIBBNTRIM-XLKFXECMSA-N 1 1 358.211 2.412 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000798959227 683408886 /nfs/dbraw/zinc/40/88/86/683408886.db2.gz ZPFULTCFKQINFD-YPMHNXCESA-N 1 1 355.232 2.393 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 ZINC000798959227 683408889 /nfs/dbraw/zinc/40/88/89/683408889.db2.gz ZPFULTCFKQINFD-YPMHNXCESA-N 1 1 355.232 2.393 20 10 FECDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862349848 683575320 /nfs/dbraw/zinc/57/53/20/683575320.db2.gz UGZVQDXCUGGGMY-CHWSQXEVSA-N 1 1 374.275 2.001 20 10 FECDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000872796803 685017199 /nfs/dbraw/zinc/01/71/99/685017199.db2.gz VMQYXVDWUACERP-JSGCOSHPSA-N 1 1 353.484 2.262 20 10 FECDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000872796803 685017203 /nfs/dbraw/zinc/01/72/03/685017203.db2.gz VMQYXVDWUACERP-JSGCOSHPSA-N 1 1 353.484 2.262 20 10 FECDMO CCOC(=O)[C@H](C)C1C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000877829642 686472510 /nfs/dbraw/zinc/47/25/10/686472510.db2.gz YXWMWIAXDYKADE-CQSZACIVSA-N 1 1 350.434 2.293 20 10 FECDMO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882917918 687527647 /nfs/dbraw/zinc/52/76/47/687527647.db2.gz YHKSZWLLZDXKGO-JTQLQIEISA-N 1 1 356.394 2.429 20 10 FECDMO C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000883371605 687616389 /nfs/dbraw/zinc/61/63/89/687616389.db2.gz QVGYYNAQUISUPU-DOTOQJQBSA-N 1 1 367.921 2.493 20 10 FECDMO C[N@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)[C@@H]2C1 ZINC000892030596 689142828 /nfs/dbraw/zinc/14/28/28/689142828.db2.gz BJSVTASTRZKEKY-FUHWJXTLSA-N 1 1 360.527 2.085 20 10 FECDMO COc1ccc(C[N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)c(O)c1OC ZINC000892042794 689143905 /nfs/dbraw/zinc/14/39/05/689143905.db2.gz RVDFNZSJUTUGLF-NSHDSACASA-N 1 1 362.348 2.004 20 10 FECDMO Cn1nc2c(c1C[NH2+]Cc1cccc(Br)c1O)COCC2 ZINC000894044446 689455628 /nfs/dbraw/zinc/45/56/28/689455628.db2.gz CQNCAOUQBBAVGX-UHFFFAOYSA-N 1 1 352.232 2.251 20 10 FECDMO COc1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c(O)c1OC ZINC000895231140 689681042 /nfs/dbraw/zinc/68/10/42/689681042.db2.gz WHOCHXPSGGQROW-MRXNPFEDSA-N 1 1 350.459 2.096 20 10 FECDMO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000896854528 689939699 /nfs/dbraw/zinc/93/96/99/689939699.db2.gz CPHMOBIASMWINM-LBPRGKRZSA-N 1 1 362.451 2.107 20 10 FECDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCCSc2nccs2)C1 ZINC000900684089 690548066 /nfs/dbraw/zinc/54/80/66/690548066.db2.gz VXYOZOLBDOFKCL-ZDUSSCGKSA-N 1 1 371.528 2.017 20 10 FECDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCCSc2nccs2)C1 ZINC000900684089 690548070 /nfs/dbraw/zinc/54/80/70/690548070.db2.gz VXYOZOLBDOFKCL-ZDUSSCGKSA-N 1 1 371.528 2.017 20 10 FECDMO COc1ccc(N2CCC[N@H+](CC(=O)Nc3c(C)n[nH]c3C)CC2)cc1 ZINC000052465982 540467158 /nfs/dbraw/zinc/46/71/58/540467158.db2.gz KPKANZHYYUNVRI-UHFFFAOYSA-N 1 1 357.458 2.186 20 10 FECDMO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3c(C)n[nH]c3C)CC2)cc1 ZINC000052465982 540467160 /nfs/dbraw/zinc/46/71/60/540467160.db2.gz KPKANZHYYUNVRI-UHFFFAOYSA-N 1 1 357.458 2.186 20 10 FECDMO COc1ccc(N2CCC([N@@H+](C)CC(=O)Nc3cc(C)nn3C)CC2)cc1 ZINC000072801207 541868524 /nfs/dbraw/zinc/86/85/24/541868524.db2.gz HXSWIIQAJIHPER-UHFFFAOYSA-N 1 1 371.485 2.276 20 10 FECDMO CCCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000801597899 674139792 /nfs/dbraw/zinc/13/97/92/674139792.db2.gz QTDOFDJPTHETAN-UHFFFAOYSA-N 1 1 361.364 2.382 20 10 FECDMO C[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[N@@H+](C)C1CC1 ZINC000105266642 543167751 /nfs/dbraw/zinc/16/77/51/543167751.db2.gz PATPECNSZBUWOK-MRXNPFEDSA-N 1 1 360.502 2.147 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](Cc1cccnc1)C1CC1)cc2=O ZINC000124760207 543841080 /nfs/dbraw/zinc/84/10/80/543841080.db2.gz BITVKTYEYMUQFJ-UHFFFAOYSA-N 1 1 367.409 2.171 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](Cc1cccnc1)C1CC1)cc2=O ZINC000124760207 543841083 /nfs/dbraw/zinc/84/10/83/543841083.db2.gz BITVKTYEYMUQFJ-UHFFFAOYSA-N 1 1 367.409 2.171 20 10 FECDMO C[C@@H]1CCC[N@H+]1C1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000154900341 544963395 /nfs/dbraw/zinc/96/33/95/544963395.db2.gz FLMNDJBNBSVTSU-GFCCVEGCSA-N 1 1 360.414 2.379 20 10 FECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000163540468 546145638 /nfs/dbraw/zinc/14/56/38/546145638.db2.gz RJCXQNJBPHFURK-KRWDZBQOSA-N 1 1 362.518 2.252 20 10 FECDMO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(F)cc1O ZINC000186025800 548074397 /nfs/dbraw/zinc/07/43/97/548074397.db2.gz JQHFNHVEXCPJMD-SNVBAGLBSA-N 1 1 366.405 2.446 20 10 FECDMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(F)cc1O ZINC000189165837 548297990 /nfs/dbraw/zinc/29/79/90/548297990.db2.gz PEEWEGQWJDCCAS-GFCCVEGCSA-N 1 1 353.415 2.148 20 10 FECDMO CC(C)(C)n1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)nn1 ZINC000190857324 548334944 /nfs/dbraw/zinc/33/49/44/548334944.db2.gz SDLJDRKGTCEMMB-UHFFFAOYSA-N 1 1 361.465 2.423 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cc1OC ZINC000194924065 548552351 /nfs/dbraw/zinc/55/23/51/548552351.db2.gz RBARZDZCTKWKNW-LBPRGKRZSA-N 1 1 362.430 2.238 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000245608180 548957046 /nfs/dbraw/zinc/95/70/46/548957046.db2.gz ACYXHKRKNQRQQJ-HLLBOEOZSA-N 1 1 364.486 2.483 20 10 FECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@@H+](C)CCCOC ZINC000266803295 550024027 /nfs/dbraw/zinc/02/40/27/550024027.db2.gz OHWUOGHJVKHHEB-UHFFFAOYSA-N 1 1 350.507 2.252 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)C3=C(C)OCCC3)CC2)cc1 ZINC000270039482 550244816 /nfs/dbraw/zinc/24/48/16/550244816.db2.gz JMUGLDSLZMSWCC-UHFFFAOYSA-N 1 1 359.470 2.018 20 10 FECDMO CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3cccc(C)c3O)CC2)n1 ZINC000271809876 550403405 /nfs/dbraw/zinc/40/34/05/550403405.db2.gz LZQUDJMOYRQUCN-OAHLLOKOSA-N 1 1 360.458 2.499 20 10 FECDMO O=C(NCc1ccccc1O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277087415 550630785 /nfs/dbraw/zinc/63/07/85/550630785.db2.gz UYMGAESISAXGIJ-LJQANCHMSA-N 1 1 369.465 2.483 20 10 FECDMO CCCOc1ccc(C[N@@H+]2C[C@H](OCCOC)C[C@H](CO)C2)c(O)c1 ZINC000278748029 550817535 /nfs/dbraw/zinc/81/75/35/550817535.db2.gz RTKHSRJYAMFCKF-MAUKXSAKSA-N 1 1 353.459 2.027 20 10 FECDMO COc1c(O)c(C[NH2+]C2CCN(Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000278902407 550834308 /nfs/dbraw/zinc/83/43/08/550834308.db2.gz RHBWUYSJMUDAIA-UHFFFAOYSA-N 1 1 372.425 2.458 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000278949119 550839237 /nfs/dbraw/zinc/83/92/37/550839237.db2.gz ZCYWPGPLPXNIAW-SNVBAGLBSA-N 1 1 363.336 2.283 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000290663150 552515114 /nfs/dbraw/zinc/51/51/14/552515114.db2.gz FWGZXTJFIXVLRJ-SFHVURJKSA-N 1 1 373.497 2.264 20 10 FECDMO COCCC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000292857949 552765590 /nfs/dbraw/zinc/76/55/90/552765590.db2.gz REDIACIZBFRESF-QGZVFWFLSA-N 1 1 354.516 2.087 20 10 FECDMO COCCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000292857949 552765592 /nfs/dbraw/zinc/76/55/92/552765592.db2.gz REDIACIZBFRESF-QGZVFWFLSA-N 1 1 354.516 2.087 20 10 FECDMO Cc1cc(N2CC[C@@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2=O)n(C)n1 ZINC000293733194 552851233 /nfs/dbraw/zinc/85/12/33/552851233.db2.gz WOPIJEXPLJSOCS-CYBMUJFWSA-N 1 1 352.797 2.122 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000294934253 552945457 /nfs/dbraw/zinc/94/54/57/552945457.db2.gz ZQWAWDOXWGQNDO-GFCCVEGCSA-N 1 1 365.430 2.423 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000294934253 552945459 /nfs/dbraw/zinc/94/54/59/552945459.db2.gz ZQWAWDOXWGQNDO-GFCCVEGCSA-N 1 1 365.430 2.423 20 10 FECDMO C[C@@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[N@H+](C2CC2)C1 ZINC000295448566 553008493 /nfs/dbraw/zinc/00/84/93/553008493.db2.gz ATQLXQJKQBXDQA-URPWPPKMSA-N 1 1 369.509 2.479 20 10 FECDMO CCOc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1O ZINC000295904799 553073932 /nfs/dbraw/zinc/07/39/32/553073932.db2.gz CXNPDSYBLREBGO-UHFFFAOYSA-N 1 1 358.398 2.416 20 10 FECDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000364325561 555291687 /nfs/dbraw/zinc/29/16/87/555291687.db2.gz COBPATIXUBXUDJ-SFHVURJKSA-N 1 1 371.441 2.465 20 10 FECDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000365338938 555547793 /nfs/dbraw/zinc/54/77/93/555547793.db2.gz SHTRDQSZIAQXJI-KBAYOESNSA-N 1 1 361.486 2.423 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000365767500 555663428 /nfs/dbraw/zinc/66/34/28/555663428.db2.gz RBZKIPKTANXWMZ-HXUWFJFHSA-N 1 1 368.481 2.259 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000365767500 555663431 /nfs/dbraw/zinc/66/34/31/555663431.db2.gz RBZKIPKTANXWMZ-HXUWFJFHSA-N 1 1 368.481 2.259 20 10 FECDMO COc1cccc(CNC(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)c1O ZINC000366341001 555815902 /nfs/dbraw/zinc/81/59/02/555815902.db2.gz YGCSLXQBNMSCNC-HXUWFJFHSA-N 1 1 356.422 2.257 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CCCN(CC(=O)NC(C)C)CC2)c1O ZINC000368626886 556367739 /nfs/dbraw/zinc/36/77/39/556367739.db2.gz VECQFSDKPLJHFH-UHFFFAOYSA-N 1 1 369.893 2.087 20 10 FECDMO COc1cc(Cl)cc(CN2CCCN(CC(=O)NC(C)C)CC2)c1O ZINC000368626886 556367744 /nfs/dbraw/zinc/36/77/44/556367744.db2.gz VECQFSDKPLJHFH-UHFFFAOYSA-N 1 1 369.893 2.087 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1 ZINC000370010638 556756635 /nfs/dbraw/zinc/75/66/35/556756635.db2.gz PMJDILIRMFNOGK-SFHVURJKSA-N 1 1 369.513 2.009 20 10 FECDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)n1 ZINC000371403348 557174934 /nfs/dbraw/zinc/17/49/34/557174934.db2.gz PHWJEQMDCSQWON-AWEZNQCLSA-N 1 1 355.394 2.427 20 10 FECDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)n1 ZINC000371403348 557174937 /nfs/dbraw/zinc/17/49/37/557174937.db2.gz PHWJEQMDCSQWON-AWEZNQCLSA-N 1 1 355.394 2.427 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC2)SCC(=O)N3C)c1O ZINC000371788630 557293693 /nfs/dbraw/zinc/29/36/93/557293693.db2.gz NXBQWWFRNTURIX-UHFFFAOYSA-N 1 1 352.431 2.231 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c1 ZINC000372039830 557364003 /nfs/dbraw/zinc/36/40/03/557364003.db2.gz VZQABUKCWNBGGP-CQSZACIVSA-N 1 1 360.414 2.006 20 10 FECDMO COc1c(O)c(C[N@H+](C)C2CCN(c3cccnn3)CC2)ccc1[N+](=O)[O-] ZINC000373206162 557650060 /nfs/dbraw/zinc/65/00/60/557650060.db2.gz ADPQWWUFZBNECM-UHFFFAOYSA-N 1 1 373.413 2.200 20 10 FECDMO COc1c(O)c(C[N@@H+](C)C2CCN(c3cccnn3)CC2)ccc1[N+](=O)[O-] ZINC000373206162 557650062 /nfs/dbraw/zinc/65/00/62/557650062.db2.gz ADPQWWUFZBNECM-UHFFFAOYSA-N 1 1 373.413 2.200 20 10 FECDMO COc1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1O ZINC000377701570 558400651 /nfs/dbraw/zinc/40/06/51/558400651.db2.gz UBUSTSPCLCYTAJ-HZPDHXFCSA-N 1 1 364.442 2.270 20 10 FECDMO CC(C)N(CC(N)=O)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000443886831 560095403 /nfs/dbraw/zinc/09/54/03/560095403.db2.gz VBUHAHWYCJZQCM-UHFFFAOYSA-N 1 1 370.497 2.130 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000472227996 561021420 /nfs/dbraw/zinc/02/14/20/561021420.db2.gz BWDDOTVJZFYVSS-UHFFFAOYSA-N 1 1 372.513 2.475 20 10 FECDMO COCC[N@@H+]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C[C@@H]1C ZINC000472286997 561023125 /nfs/dbraw/zinc/02/31/25/561023125.db2.gz LCWSLNBTWKKFKM-HNNXBMFYSA-N 1 1 358.486 2.349 20 10 FECDMO COCC[N@H+]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C[C@@H]1C ZINC000472286997 561023126 /nfs/dbraw/zinc/02/31/26/561023126.db2.gz LCWSLNBTWKKFKM-HNNXBMFYSA-N 1 1 358.486 2.349 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1O ZINC000530238403 562403525 /nfs/dbraw/zinc/40/35/25/562403525.db2.gz NIRPHOMPWWPUSM-QGZVFWFLSA-N 1 1 350.434 2.324 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000530238403 562403526 /nfs/dbraw/zinc/40/35/26/562403526.db2.gz NIRPHOMPWWPUSM-QGZVFWFLSA-N 1 1 350.434 2.324 20 10 FECDMO O=C(CCc1ncc[nH]1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108520 674405318 /nfs/dbraw/zinc/40/53/18/674405318.db2.gz XNOYDRMIBGURCY-HNNXBMFYSA-N 1 1 362.861 2.482 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000809705768 674506284 /nfs/dbraw/zinc/50/62/84/674506284.db2.gz ZFBSCYAYNSYLEM-PXAZEXFGSA-N 1 1 367.833 2.007 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000809705771 674506317 /nfs/dbraw/zinc/50/63/17/674506317.db2.gz ZFBSCYAYNSYLEM-YVEFUNNKSA-N 1 1 367.833 2.007 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCCSC3)CC2)cc1 ZINC000810395686 674543112 /nfs/dbraw/zinc/54/31/12/674543112.db2.gz SNLXQUKPRLCSOZ-INIZCTEOSA-N 1 1 363.527 2.077 20 10 FECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000815116259 674920855 /nfs/dbraw/zinc/92/08/55/674920855.db2.gz GQVFHDDJMBWLIS-QGZVFWFLSA-N 1 1 353.532 2.246 20 10 FECDMO Cn1ncc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1Cl ZINC000815119737 674921421 /nfs/dbraw/zinc/92/14/21/674921421.db2.gz FXCPMFMREYGRFZ-UHFFFAOYSA-N 1 1 352.841 2.464 20 10 FECDMO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000815570523 674959409 /nfs/dbraw/zinc/95/94/09/674959409.db2.gz DXPUHVVLHPRAGQ-QWRGUYRKSA-N 1 1 366.405 2.486 20 10 FECDMO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000815570524 674959620 /nfs/dbraw/zinc/95/96/20/674959620.db2.gz DXPUHVVLHPRAGQ-WDEREUQCSA-N 1 1 366.405 2.486 20 10 FECDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000092218231 670736817 /nfs/dbraw/zinc/73/68/17/670736817.db2.gz LLHMCIBVINQIAI-CQSZACIVSA-N 1 1 355.276 2.451 20 10 FECDMO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000092218231 670736820 /nfs/dbraw/zinc/73/68/20/670736820.db2.gz LLHMCIBVINQIAI-CQSZACIVSA-N 1 1 355.276 2.451 20 10 FECDMO Cc1nsc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000093663458 670755029 /nfs/dbraw/zinc/75/50/29/670755029.db2.gz YMQSOBTXWHSSOT-UHFFFAOYSA-N 1 1 359.499 2.005 20 10 FECDMO CN1CC[NH+](CCOc2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000743777835 673772197 /nfs/dbraw/zinc/77/21/97/673772197.db2.gz DGRYVQXUGGKLCA-UHFFFAOYSA-N 1 1 361.467 2.332 20 10 FECDMO CCN(Cc1cc(Br)ccc1O)C(=O)CC[NH+]1CCOCC1 ZINC000743808378 673773138 /nfs/dbraw/zinc/77/31/38/673773138.db2.gz QYVHLTQEWCLTPV-UHFFFAOYSA-N 1 1 371.275 2.226 20 10 FECDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)nn1 ZINC000825514665 675657030 /nfs/dbraw/zinc/65/70/30/675657030.db2.gz ROWOARVCLZACKQ-LBPRGKRZSA-N 1 1 350.806 2.179 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000827000210 675722349 /nfs/dbraw/zinc/72/23/49/675722349.db2.gz IJEQRZKOQSQBPJ-LBPRGKRZSA-N 1 1 355.232 2.490 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000827000210 675722351 /nfs/dbraw/zinc/72/23/51/675722351.db2.gz IJEQRZKOQSQBPJ-LBPRGKRZSA-N 1 1 355.232 2.490 20 10 FECDMO O=S1(=O)CC[C@H](CC[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000760855657 680703467 /nfs/dbraw/zinc/70/34/67/680703467.db2.gz HAQHIHIGNNPZRR-DOTOQJQBSA-N 1 1 353.484 2.198 20 10 FECDMO C[N@@H+](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000764197676 680802571 /nfs/dbraw/zinc/80/25/71/680802571.db2.gz QJOYPVRGSIROAS-DLBZAZTESA-N 1 1 364.511 2.337 20 10 FECDMO COC(=O)c1cnc(SC[C@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000834382167 680219824 /nfs/dbraw/zinc/21/98/24/680219824.db2.gz FOZNWSMEPFIQHC-CQSZACIVSA-N 1 1 364.492 2.441 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1F ZINC000769384813 680980327 /nfs/dbraw/zinc/98/03/27/680980327.db2.gz PGFMCJQLUAGTRT-OAHLLOKOSA-N 1 1 357.495 2.172 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000769449136 680983533 /nfs/dbraw/zinc/98/35/33/680983533.db2.gz ZVHUVYCUQBPPHG-UHFFFAOYSA-N 1 1 351.447 2.008 20 10 FECDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cc(=O)n3ccsc3n2)cc1 ZINC000844400356 681056614 /nfs/dbraw/zinc/05/66/14/681056614.db2.gz ANKKMWFXSCFMIE-UHFFFAOYSA-N 1 1 358.467 2.333 20 10 FECDMO [NH3+]CC(F)(F)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000846673738 681274608 /nfs/dbraw/zinc/27/46/08/681274608.db2.gz DTVXZDVRLNDTBW-LLVKDONJSA-N 1 1 363.355 2.357 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)c1 ZINC000850496505 681908619 /nfs/dbraw/zinc/90/86/19/681908619.db2.gz OOZAWSPTTBYRNS-YGWIHHTISA-N 1 1 353.362 2.140 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c1 ZINC000850502898 681909266 /nfs/dbraw/zinc/90/92/66/681909266.db2.gz SQDVTGYHOSYVJL-TZDHZFECSA-N 1 1 351.443 2.396 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1 ZINC000850563690 681916809 /nfs/dbraw/zinc/91/68/09/681916809.db2.gz ZXEHJAYHWMMESE-BFUOFWGJSA-N 1 1 351.443 2.397 20 10 FECDMO CC[C@H](C)[N@@H+](CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000852293905 682255625 /nfs/dbraw/zinc/25/56/25/682255625.db2.gz SIPDFCPOCRMTRZ-HNNXBMFYSA-N 1 1 351.466 2.399 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+](CCN2CCOCC2)CC2CC2)c1O ZINC000852637494 682312235 /nfs/dbraw/zinc/31/22/35/682312235.db2.gz ZKBMPHKQUMZOOA-UHFFFAOYSA-N 1 1 350.434 2.278 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@@H+](CCN2CCOCC2)CC2CC2)c1O ZINC000852637494 682312242 /nfs/dbraw/zinc/31/22/42/682312242.db2.gz ZKBMPHKQUMZOOA-UHFFFAOYSA-N 1 1 350.434 2.278 20 10 FECDMO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000788666584 682548368 /nfs/dbraw/zinc/54/83/68/682548368.db2.gz RHWXQXBBXKFGGR-SNVBAGLBSA-N 1 1 355.378 2.123 20 10 FECDMO Cc1cc(Br)cc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1O ZINC000793591837 682898103 /nfs/dbraw/zinc/89/81/03/682898103.db2.gz RJIZVHHNHOCNBZ-STQMWFEESA-N 1 1 357.292 2.350 20 10 FECDMO CCC[N@H+]1CC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925352324 684552610 /nfs/dbraw/zinc/55/26/10/684552610.db2.gz JUUCZXKGKVFATB-AWEZNQCLSA-N 1 1 351.834 2.294 20 10 FECDMO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877481012 686386762 /nfs/dbraw/zinc/38/67/62/686386762.db2.gz ROZXZYZDZXYLHS-LJQANCHMSA-N 1 1 366.527 2.047 20 10 FECDMO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877481012 686386770 /nfs/dbraw/zinc/38/67/70/686386770.db2.gz ROZXZYZDZXYLHS-LJQANCHMSA-N 1 1 366.527 2.047 20 10 FECDMO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000877799001 686465489 /nfs/dbraw/zinc/46/54/89/686465489.db2.gz HDTBQDHWTUVPAG-KBRIMQKVSA-N 1 1 350.434 2.163 20 10 FECDMO COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)s1 ZINC000896969552 689955991 /nfs/dbraw/zinc/95/59/91/689955991.db2.gz ODGBAYURMMFCDY-JTQLQIEISA-N 1 1 362.407 2.354 20 10 FECDMO CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000897695858 690065292 /nfs/dbraw/zinc/06/52/92/690065292.db2.gz TWXJQTPWOSYXKT-KRWDZBQOSA-N 1 1 358.385 2.132 20 10 FECDMO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000125091044 543859853 /nfs/dbraw/zinc/85/98/53/543859853.db2.gz NJJCMPLSUSTABN-UHFFFAOYSA-N 1 1 351.516 2.144 20 10 FECDMO COc1ccc(N2CC[NH+](CCCN[C@H](C)c3cnccn3)CC2)cc1 ZINC000162810012 546141324 /nfs/dbraw/zinc/14/13/24/546141324.db2.gz OFRWUBNPHOKJKR-QGZVFWFLSA-N 1 1 355.486 2.348 20 10 FECDMO COc1cc(O)c(C[NH+]2CCN(Cc3csc(C)n3)CC2)cc1OC ZINC000179437039 546953364 /nfs/dbraw/zinc/95/33/64/546953364.db2.gz MFRGVHKWQBRAFQ-UHFFFAOYSA-N 1 1 363.483 2.492 20 10 FECDMO Cc1cc(Br)cc(C[N@H+](CCO)C2CCN(C)CC2)c1O ZINC000183377763 547647663 /nfs/dbraw/zinc/64/76/63/547647663.db2.gz LPVHPAJWKIMCPP-UHFFFAOYSA-N 1 1 357.292 2.352 20 10 FECDMO CCC(CC)[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[NH+]1CCOCC1 ZINC000183431415 547658258 /nfs/dbraw/zinc/65/82/58/547658258.db2.gz JRYZSODLUJOAKW-AUUYWEPGSA-N 1 1 364.486 2.282 20 10 FECDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000183452186 547663336 /nfs/dbraw/zinc/66/33/36/547663336.db2.gz GWBGGPNTKKTZEP-MGPUTAFESA-N 1 1 370.449 2.046 20 10 FECDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000183452186 547663340 /nfs/dbraw/zinc/66/33/40/547663340.db2.gz GWBGGPNTKKTZEP-MGPUTAFESA-N 1 1 370.449 2.046 20 10 FECDMO Cc1cc(N2CC[C@H]([NH2+]Cc3c(O)ccc(Cl)c3F)C2=O)n(C)n1 ZINC000191228410 548341993 /nfs/dbraw/zinc/34/19/93/548341993.db2.gz NVQKIGVZEZROCU-LBPRGKRZSA-N 1 1 352.797 2.122 20 10 FECDMO COC(=O)Nc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000264733978 550000049 /nfs/dbraw/zinc/00/00/49/550000049.db2.gz RRKAQNKDMKWJAI-UHFFFAOYSA-N 1 1 357.410 2.319 20 10 FECDMO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000266765803 550023860 /nfs/dbraw/zinc/02/38/60/550023860.db2.gz PSLNMKPKVKADQZ-APWZRJJASA-N 1 1 360.502 2.147 20 10 FECDMO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000266765813 550024146 /nfs/dbraw/zinc/02/41/46/550024146.db2.gz PSLNMKPKVKADQZ-QFBILLFUSA-N 1 1 360.502 2.147 20 10 FECDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000267281994 550029530 /nfs/dbraw/zinc/02/95/30/550029530.db2.gz IAKQYQCWUBFPIY-GOSISDBHSA-N 1 1 360.502 2.006 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1C ZINC000269314082 550180046 /nfs/dbraw/zinc/18/00/46/550180046.db2.gz GVFYRYNHFOGWQQ-OAHLLOKOSA-N 1 1 352.442 2.157 20 10 FECDMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(O)c1O ZINC000273065286 550483440 /nfs/dbraw/zinc/48/34/40/550483440.db2.gz ZBYLODJPEHNVRF-WMZOPIPTSA-N 1 1 370.449 2.019 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cnn(C(C)C)c3)CC2)cc1 ZINC000276202864 550577658 /nfs/dbraw/zinc/57/76/58/550577658.db2.gz JWIICHQEDVUTFT-UHFFFAOYSA-N 1 1 371.485 2.025 20 10 FECDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)C[C@H](C)O1 ZINC000276574998 550579099 /nfs/dbraw/zinc/57/90/99/550579099.db2.gz KXRUDTXMSYRIKT-BETUJISGSA-N 1 1 366.433 2.198 20 10 FECDMO COc1c(O)c(C[NH2+]CCCNC(=O)c2occc2C)ccc1[N+](=O)[O-] ZINC000278106266 550749772 /nfs/dbraw/zinc/74/97/72/550749772.db2.gz ASSYMPGWRBERIM-UHFFFAOYSA-N 1 1 363.370 2.120 20 10 FECDMO COc1c(O)c(CNc2ccc(NC(=O)C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000278902353 550834304 /nfs/dbraw/zinc/83/43/04/550834304.db2.gz RGIGYEUZMCLDPN-UHFFFAOYSA-N 1 1 374.397 2.421 20 10 FECDMO COc1c(O)c(C[NH2+]CCN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000278936753 550837828 /nfs/dbraw/zinc/83/78/28/550837828.db2.gz XAGDDBGKAAIGML-UHFFFAOYSA-N 1 1 357.410 2.457 20 10 FECDMO CN(C)c1ccc(C[NH2+]CCCN2CCN(C)CC2)c(C(F)(F)F)c1 ZINC000280220618 550972897 /nfs/dbraw/zinc/97/28/97/550972897.db2.gz IVPZRSCANMVCBZ-UHFFFAOYSA-N 1 1 358.452 2.499 20 10 FECDMO Cn1cc([C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CC23CCOCC3)cn1 ZINC000295044063 552953704 /nfs/dbraw/zinc/95/37/04/552953704.db2.gz OZGPZMFFJNYING-INIZCTEOSA-N 1 1 371.437 2.251 20 10 FECDMO COCCOC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CCOCC1 ZINC000296643758 553192218 /nfs/dbraw/zinc/19/22/18/553192218.db2.gz YFWFBHKUFXXQOF-AWEZNQCLSA-N 1 1 367.442 2.042 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000298753586 553468407 /nfs/dbraw/zinc/46/84/07/553468407.db2.gz PXUOBURIVNYRHB-SJLPKXTDSA-N 1 1 373.497 2.074 20 10 FECDMO COc1cc(Cl)cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c1O ZINC000363909064 555211454 /nfs/dbraw/zinc/21/14/54/555211454.db2.gz MUAKMGDJNWQKID-HZPDHXFCSA-N 1 1 354.878 2.475 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CCN(c3ncccc3F)C2)ccc1[N+](=O)[O-] ZINC000365144513 555494499 /nfs/dbraw/zinc/49/44/99/555494499.db2.gz OBEGMNJIEWEHBO-LBPRGKRZSA-N 1 1 362.361 2.212 20 10 FECDMO CN(C)S(=O)(=O)[C@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000368045092 556203546 /nfs/dbraw/zinc/20/35/46/556203546.db2.gz UYCBONMNNSNWJI-JTQLQIEISA-N 1 1 350.843 2.041 20 10 FECDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000369566078 556633152 /nfs/dbraw/zinc/63/31/52/556633152.db2.gz OXFKCKODXKKALR-GOSISDBHSA-N 1 1 359.514 2.208 20 10 FECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000369966516 556743664 /nfs/dbraw/zinc/74/36/64/556743664.db2.gz AQRYLVXTAZWHSC-UYAOXDASSA-N 1 1 357.498 2.356 20 10 FECDMO Cc1noc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CCOCC2)n1 ZINC000370158819 556797387 /nfs/dbraw/zinc/79/73/87/556797387.db2.gz FCXJIRVEYJHSTH-IBGZPJMESA-N 1 1 372.469 2.472 20 10 FECDMO COc1ccc(O)c(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)c1 ZINC000373213742 557651130 /nfs/dbraw/zinc/65/11/30/557651130.db2.gz ABESVRPMAHBFDI-UHFFFAOYSA-N 1 1 362.451 2.183 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)c1 ZINC000373213742 557651133 /nfs/dbraw/zinc/65/11/33/557651133.db2.gz ABESVRPMAHBFDI-UHFFFAOYSA-N 1 1 362.451 2.183 20 10 FECDMO COc1cccc(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1O ZINC000374699778 557918696 /nfs/dbraw/zinc/91/86/96/557918696.db2.gz MCICDLAVCDJNPC-MRXNPFEDSA-N 1 1 367.405 2.054 20 10 FECDMO COc1cccc(C[N@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1O ZINC000374699778 557918697 /nfs/dbraw/zinc/91/86/97/557918697.db2.gz MCICDLAVCDJNPC-MRXNPFEDSA-N 1 1 367.405 2.054 20 10 FECDMO Cc1n[nH]cc1C1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000375349413 558013626 /nfs/dbraw/zinc/01/36/26/558013626.db2.gz NBAWGJGUICCIHZ-UHFFFAOYSA-N 1 1 355.486 2.280 20 10 FECDMO COCC[N@@H+]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C[C@H]1C ZINC000472286998 561023161 /nfs/dbraw/zinc/02/31/61/561023161.db2.gz LCWSLNBTWKKFKM-OAHLLOKOSA-N 1 1 358.486 2.349 20 10 FECDMO COCC[N@H+]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C[C@H]1C ZINC000472286998 561023162 /nfs/dbraw/zinc/02/31/62/561023162.db2.gz LCWSLNBTWKKFKM-OAHLLOKOSA-N 1 1 358.486 2.349 20 10 FECDMO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)Cc1ccccc1O ZINC000735560209 598617580 /nfs/dbraw/zinc/61/75/80/598617580.db2.gz BPRYUQHIKWBPHL-GFCCVEGCSA-N 1 1 352.398 2.031 20 10 FECDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000825965723 608507543 /nfs/dbraw/zinc/50/75/43/608507543.db2.gz DYOXJFIFFLJVGI-UHFFFAOYSA-N 1 1 370.482 2.397 20 10 FECDMO Cc1cc(C)c(O)c(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1 ZINC000814231110 674827504 /nfs/dbraw/zinc/82/75/04/674827504.db2.gz MCZFZRLVNZFSJQ-UHFFFAOYSA-N 1 1 364.467 2.167 20 10 FECDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000092303749 670737298 /nfs/dbraw/zinc/73/72/98/670737298.db2.gz DMRCUZUBYIVUMN-OAHLLOKOSA-N 1 1 370.515 2.212 20 10 FECDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000121000797 671940213 /nfs/dbraw/zinc/94/02/13/671940213.db2.gz GXTMSWZGLSFZIX-OAHLLOKOSA-N 1 1 371.275 2.224 20 10 FECDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000121000797 671940217 /nfs/dbraw/zinc/94/02/17/671940217.db2.gz GXTMSWZGLSFZIX-OAHLLOKOSA-N 1 1 371.275 2.224 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1O ZINC000159534319 672283158 /nfs/dbraw/zinc/28/31/58/672283158.db2.gz PUTMESBZBLWACS-VHSXEESVSA-N 1 1 357.248 2.249 20 10 FECDMO CCN1CCN(c2ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc2F)CC1 ZINC000819033066 675254326 /nfs/dbraw/zinc/25/43/26/675254326.db2.gz LXEBQDNSEFGYHF-INIZCTEOSA-N 1 1 363.399 2.371 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1O ZINC000824502319 675607019 /nfs/dbraw/zinc/60/70/19/675607019.db2.gz ZYKQIDSWTUWYNG-ZFWWWQNUSA-N 1 1 371.275 2.068 20 10 FECDMO CCOc1ccc(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000824563762 675610784 /nfs/dbraw/zinc/61/07/84/675610784.db2.gz BZRRBWRXYZKLHG-CQSZACIVSA-N 1 1 354.447 2.108 20 10 FECDMO COc1cccc(O)c1C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824828178 675623841 /nfs/dbraw/zinc/62/38/41/675623841.db2.gz LUJXAVSJZPLHQJ-RYUDHWBXSA-N 1 1 358.360 2.243 20 10 FECDMO COc1cc(Br)cc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1O ZINC000824926375 675629241 /nfs/dbraw/zinc/62/92/41/675629241.db2.gz MXOTYNCKPKIXTC-TXEJJXNPSA-N 1 1 373.291 2.050 20 10 FECDMO Cc1cc(Br)cc(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1O ZINC000824925864 675629264 /nfs/dbraw/zinc/62/92/64/675629264.db2.gz GRFZTUIMXXJXAF-BETUJISGSA-N 1 1 357.292 2.350 20 10 FECDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(Br)cc1O ZINC000825885450 675672768 /nfs/dbraw/zinc/67/27/68/675672768.db2.gz GRCNAXRJIWDXOR-IUODEOHRSA-N 1 1 355.276 2.450 20 10 FECDMO Cc1cc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000827963445 675789382 /nfs/dbraw/zinc/78/93/82/675789382.db2.gz LMCNSDYOSMZMLO-GOSISDBHSA-N 1 1 365.543 2.486 20 10 FECDMO C[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC[N@H+]1C ZINC000761283179 680717941 /nfs/dbraw/zinc/71/79/41/680717941.db2.gz RGJMDKZXCJUYNG-RISCZKNCSA-N 1 1 351.834 2.293 20 10 FECDMO CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761979798 680736542 /nfs/dbraw/zinc/73/65/42/680736542.db2.gz IKZDWQYYUTWCIE-OAHLLOKOSA-N 1 1 367.877 2.041 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000835051708 680291596 /nfs/dbraw/zinc/29/15/96/680291596.db2.gz GWGXDDYVBLVWJZ-YEODSOHDSA-N 1 1 365.543 2.369 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000756366051 680474565 /nfs/dbraw/zinc/47/45/65/680474565.db2.gz DKSQPWFOPGTUSQ-KKUMJFAQSA-N 1 1 350.459 2.329 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000756739565 680495615 /nfs/dbraw/zinc/49/56/15/680495615.db2.gz OSIMYYKOWIFDNW-FPMFFAJLSA-N 1 1 355.456 2.185 20 10 FECDMO C[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(Cl)cc1O ZINC000841764738 680910930 /nfs/dbraw/zinc/91/09/30/680910930.db2.gz RLDFRODOPVTQML-GFCCVEGCSA-N 1 1 360.907 2.205 20 10 FECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cc[n+]([O-])cc1 ZINC000771060983 681039843 /nfs/dbraw/zinc/03/98/43/681039843.db2.gz ZRQHQJXDDXZSHQ-MRXNPFEDSA-N 1 1 361.829 2.073 20 10 FECDMO CC(C)[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)N1CC[NH+](C)CC1 ZINC000844869673 681089013 /nfs/dbraw/zinc/08/90/13/681089013.db2.gz ULYJHTNCBTXWNX-MRXNPFEDSA-N 1 1 368.909 2.117 20 10 FECDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)cc2)CC1 ZINC000775689793 681323956 /nfs/dbraw/zinc/32/39/56/681323956.db2.gz KLCAPQXWUMXZBZ-IRXDYDNUSA-N 1 1 357.420 2.326 20 10 FECDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)cc2)CC1 ZINC000775689793 681323958 /nfs/dbraw/zinc/32/39/58/681323958.db2.gz KLCAPQXWUMXZBZ-IRXDYDNUSA-N 1 1 357.420 2.326 20 10 FECDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000780893840 681884306 /nfs/dbraw/zinc/88/43/06/681884306.db2.gz UCKFNUJNPDKDLF-CQSZACIVSA-N 1 1 350.434 2.436 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+]CC(=O)NCc2ccco2)c1 ZINC000781627746 681954033 /nfs/dbraw/zinc/95/40/33/681954033.db2.gz VAQAMGSVUGNFMX-UHFFFAOYSA-N 1 1 353.216 2.462 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@@H+](CCO)C2CCN(C)CC2)c1 ZINC000781899152 681986576 /nfs/dbraw/zinc/98/65/76/681986576.db2.gz HTSQKHBIECGMJL-UHFFFAOYSA-N 1 1 357.292 2.352 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@H+](CCO)C2CCN(C)CC2)c1 ZINC000781899152 681986580 /nfs/dbraw/zinc/98/65/80/681986580.db2.gz HTSQKHBIECGMJL-UHFFFAOYSA-N 1 1 357.292 2.352 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000781902234 681986982 /nfs/dbraw/zinc/98/69/82/681986982.db2.gz OXSXSQNSTYCRJZ-ZDUSSCGKSA-N 1 1 368.275 2.453 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000781902234 681986986 /nfs/dbraw/zinc/98/69/86/681986986.db2.gz OXSXSQNSTYCRJZ-ZDUSSCGKSA-N 1 1 368.275 2.453 20 10 FECDMO CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788643754 682545981 /nfs/dbraw/zinc/54/59/81/682545981.db2.gz HDTRMZPQETUKDN-JTQLQIEISA-N 1 1 354.394 2.389 20 10 FECDMO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(F)cc(F)c1O ZINC000790758014 682699554 /nfs/dbraw/zinc/69/95/54/682699554.db2.gz NEAVSJDUFZKQBV-NSHDSACASA-N 1 1 371.405 2.287 20 10 FECDMO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792793170 682840656 /nfs/dbraw/zinc/84/06/56/682840656.db2.gz DURDQBSCWDDHBV-UHFFFAOYSA-N 1 1 361.408 2.308 20 10 FECDMO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792793170 682840658 /nfs/dbraw/zinc/84/06/58/682840658.db2.gz DURDQBSCWDDHBV-UHFFFAOYSA-N 1 1 361.408 2.308 20 10 FECDMO COc1cc(Br)cc(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1O ZINC000793590692 682897461 /nfs/dbraw/zinc/89/74/61/682897461.db2.gz ODFSARBCVRTRMR-NEPJUHHUSA-N 1 1 373.291 2.050 20 10 FECDMO [O-]c1cccc(Br)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000858132649 682936793 /nfs/dbraw/zinc/93/67/93/682936793.db2.gz APKGBAOAPWPQQA-ZDUSSCGKSA-N 1 1 357.292 2.481 20 10 FECDMO [O-]c1cccc(Br)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000858132649 682936794 /nfs/dbraw/zinc/93/67/94/682936794.db2.gz APKGBAOAPWPQQA-ZDUSSCGKSA-N 1 1 357.292 2.481 20 10 FECDMO C[C@H]1CN(Cc2c(O)cccc2Br)CC[N@H+]1CC(C)(C)O ZINC000862336944 683573764 /nfs/dbraw/zinc/57/37/64/683573764.db2.gz OAEIGWLTLAENHH-LBPRGKRZSA-N 1 1 357.292 2.432 20 10 FECDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCCN4CCSC[C@@H]34)cc2)CC1 ZINC000922522712 683740419 /nfs/dbraw/zinc/74/04/19/683740419.db2.gz GACRTJBVAHBOMG-PMACEKPBSA-N 1 1 360.571 2.108 20 10 FECDMO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000866439817 684104568 /nfs/dbraw/zinc/10/45/68/684104568.db2.gz IRIZMLMEPXWZLS-UTLUCORTSA-N 1 1 362.348 2.128 20 10 FECDMO Oc1ccc(Br)cc1C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877520891 686400330 /nfs/dbraw/zinc/40/03/30/686400330.db2.gz JXJFYEFWWHAUQA-CQSZACIVSA-N 1 1 367.247 2.215 20 10 FECDMO Cc1cccc(O)c1C[NH2+]Cc1nn(C)cc1I ZINC000877573950 686413079 /nfs/dbraw/zinc/41/30/79/686413079.db2.gz YSTBYAUCPYOQKW-UHFFFAOYSA-N 1 1 357.195 2.329 20 10 FECDMO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877694414 686438956 /nfs/dbraw/zinc/43/89/56/686438956.db2.gz BXYBSJHJJTVGGI-IBGZPJMESA-N 1 1 351.443 2.260 20 10 FECDMO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2ccc(C)cc2O)CCO1 ZINC000877694414 686438962 /nfs/dbraw/zinc/43/89/62/686438962.db2.gz BXYBSJHJJTVGGI-IBGZPJMESA-N 1 1 351.443 2.260 20 10 FECDMO Cn1ccnc1[C@@](O)(CC[NH2+]Cc1cc(F)cc(F)c1O)C(F)(F)F ZINC000882914324 687526699 /nfs/dbraw/zinc/52/66/99/687526699.db2.gz OUUSESVLXIANET-AWEZNQCLSA-N 1 1 365.302 2.334 20 10 FECDMO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882932935 687529277 /nfs/dbraw/zinc/52/92/77/687529277.db2.gz SAEOHSUWXGRMRU-UHFFFAOYSA-N 1 1 356.394 2.047 20 10 FECDMO COCC[NH+](CCOC)C1CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000894750354 689588529 /nfs/dbraw/zinc/58/85/29/689588529.db2.gz UPOXQIZHZBRGHX-UHFFFAOYSA-N 1 1 358.429 2.230 20 10 FECDMO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895836608 689777865 /nfs/dbraw/zinc/77/78/65/689777865.db2.gz NTRXOUVIJIZADP-MRXNPFEDSA-N 1 1 362.367 2.409 20 10 FECDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897421500 690021123 /nfs/dbraw/zinc/02/11/23/690021123.db2.gz GVEFWYYUZMWGPG-GFCCVEGCSA-N 1 1 363.483 2.068 20 10 FECDMO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092188234 542847822 /nfs/dbraw/zinc/84/78/22/542847822.db2.gz IFDFCKWFSOQTKT-ZDUSSCGKSA-N 1 1 354.248 2.144 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000108928293 543308554 /nfs/dbraw/zinc/30/85/54/543308554.db2.gz GYWNXQLHWNSMOF-UHFFFAOYSA-N 1 1 362.518 2.340 20 10 FECDMO CCC[N@H+](Cc1cc(C)cc(Br)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000802656217 674190430 /nfs/dbraw/zinc/19/04/30/674190430.db2.gz MACABHREEWUVSL-ZDUSSCGKSA-N 1 1 369.259 2.432 20 10 FECDMO CCC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000802656217 674190432 /nfs/dbraw/zinc/19/04/32/674190432.db2.gz MACABHREEWUVSL-ZDUSSCGKSA-N 1 1 369.259 2.432 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1c1ccncc1)cc2=O ZINC000125578540 543889845 /nfs/dbraw/zinc/88/98/45/543889845.db2.gz FIAKZGCJXNYAHJ-MRXNPFEDSA-N 1 1 367.409 2.344 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1c1ccncc1)cc2=O ZINC000125578540 543889847 /nfs/dbraw/zinc/88/98/47/543889847.db2.gz FIAKZGCJXNYAHJ-MRXNPFEDSA-N 1 1 367.409 2.344 20 10 FECDMO CCOc1cccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1O ZINC000159408964 545951165 /nfs/dbraw/zinc/95/11/65/545951165.db2.gz RBPSTGAJAQDGDT-HNNXBMFYSA-N 1 1 356.488 2.085 20 10 FECDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000175592235 546317275 /nfs/dbraw/zinc/31/72/75/546317275.db2.gz OWGLQMQMKIGVAK-UXHICEINSA-N 1 1 358.530 2.270 20 10 FECDMO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)c(C)n1-c1ccccn1 ZINC000181365811 547301461 /nfs/dbraw/zinc/30/14/61/547301461.db2.gz GHMBUIFNHPOYBF-GOSISDBHSA-N 1 1 364.453 2.009 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000183162080 547613674 /nfs/dbraw/zinc/61/36/74/547613674.db2.gz WXAZVMPFWIQJMH-AFMDSPMNSA-N 1 1 373.522 2.078 20 10 FECDMO C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cc(Br)ccc1O ZINC000185363747 547975218 /nfs/dbraw/zinc/97/52/18/547975218.db2.gz SWUMTGPEZXIUPE-QWHCGFSZSA-N 1 1 356.308 2.441 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185477060 547990208 /nfs/dbraw/zinc/99/02/08/547990208.db2.gz XQXWDWCHFJEJBG-UHFFFAOYSA-N 1 1 367.493 2.352 20 10 FECDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000267281996 550029382 /nfs/dbraw/zinc/02/93/82/550029382.db2.gz IAKQYQCWUBFPIY-SFHVURJKSA-N 1 1 360.502 2.006 20 10 FECDMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000268565435 550087758 /nfs/dbraw/zinc/08/77/58/550087758.db2.gz FPORJPYILZGTCZ-LJQANCHMSA-N 1 1 374.529 2.090 20 10 FECDMO C[N@H+]1CC[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000272594545 550460035 /nfs/dbraw/zinc/46/00/35/550460035.db2.gz IEZCHTQVWBJILJ-NKVQNLSVSA-N 1 1 355.482 2.089 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](CO)c2ccc(F)cc2)cc1 ZINC000273108597 550485338 /nfs/dbraw/zinc/48/53/38/550485338.db2.gz NMLHRPXPBQAJFN-IBGZPJMESA-N 1 1 359.445 2.173 20 10 FECDMO COCCOc1ncccc1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273402606 550497236 /nfs/dbraw/zinc/49/72/36/550497236.db2.gz NOOXCTDYRZEGRQ-ZDUSSCGKSA-N 1 1 360.410 2.450 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCCc2ccccc2)c1 ZINC000273477815 550500222 /nfs/dbraw/zinc/50/02/22/550500222.db2.gz LFBWVIXUNUUCOO-CQSZACIVSA-N 1 1 356.422 2.188 20 10 FECDMO CCN1CCN(c2ccc(C[NH2+]CC3(OC)CCOCC3)cc2F)CC1 ZINC000277010741 550621575 /nfs/dbraw/zinc/62/15/75/550621575.db2.gz LIWPBNJZAIMPTQ-UHFFFAOYSA-N 1 1 365.493 2.253 20 10 FECDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@]12CCCO2 ZINC000278106181 550749838 /nfs/dbraw/zinc/74/98/38/550749838.db2.gz ARWLRXZHPWQYDN-CKEIUWERSA-N 1 1 352.387 2.125 20 10 FECDMO Cn1c(Cl)cnc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000281628817 551122521 /nfs/dbraw/zinc/12/25/21/551122521.db2.gz IAKSIZICICXQKG-UHFFFAOYSA-N 1 1 352.841 2.464 20 10 FECDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000290127900 552431346 /nfs/dbraw/zinc/43/13/46/552431346.db2.gz ZXJUZBLIBVDTAB-HXUWFJFHSA-N 1 1 363.477 2.352 20 10 FECDMO CN(C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1)S(C)(=O)=O ZINC000294687411 552926870 /nfs/dbraw/zinc/92/68/70/552926870.db2.gz NHCYWPOSSOAOGX-LLVKDONJSA-N 1 1 364.870 2.288 20 10 FECDMO CN(C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1)S(C)(=O)=O ZINC000294687411 552926871 /nfs/dbraw/zinc/92/68/71/552926871.db2.gz NHCYWPOSSOAOGX-LLVKDONJSA-N 1 1 364.870 2.288 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+]3CCN(C[C@H](C)O)C[C@@H]3C)cc2)CC1 ZINC000295653040 553039337 /nfs/dbraw/zinc/03/93/37/553039337.db2.gz DEYQDVHEPVTABK-ROUUACIJSA-N 1 1 361.530 2.189 20 10 FECDMO COC1CCN(c2ccc(C[N@H+]3CCN(C[C@H](C)O)C[C@@H]3C)cc2)CC1 ZINC000295653040 553039338 /nfs/dbraw/zinc/03/93/38/553039338.db2.gz DEYQDVHEPVTABK-ROUUACIJSA-N 1 1 361.530 2.189 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+](C)[C@H](C)CN3CCOCC3)cc2)CC1 ZINC000296102323 553104674 /nfs/dbraw/zinc/10/46/74/553104674.db2.gz UQDDIWZVYWLNHZ-GOSISDBHSA-N 1 1 361.530 2.454 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCCN(Cc3ncc(Cl)n3C)CC2)c1 ZINC000367730084 556125112 /nfs/dbraw/zinc/12/51/12/556125112.db2.gz WEZXNQUCAXMOEF-UHFFFAOYSA-N 1 1 364.877 2.496 20 10 FECDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)nn1 ZINC000368106398 556220257 /nfs/dbraw/zinc/22/02/57/556220257.db2.gz FFAMWGWADOQSCR-CQSZACIVSA-N 1 1 352.394 2.371 20 10 FECDMO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000369025168 556479737 /nfs/dbraw/zinc/47/97/37/556479737.db2.gz KEJLXURLPQQCOI-HNNXBMFYSA-N 1 1 372.469 2.180 20 10 FECDMO CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000369423511 556597147 /nfs/dbraw/zinc/59/71/47/556597147.db2.gz GJIDAJFVKWTTPZ-DNVCBOLYSA-N 1 1 371.485 2.350 20 10 FECDMO CN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000369423510 556597392 /nfs/dbraw/zinc/59/73/92/556597392.db2.gz GJIDAJFVKWTTPZ-BEFAXECRSA-N 1 1 371.485 2.350 20 10 FECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000369966514 556743947 /nfs/dbraw/zinc/74/39/47/556743947.db2.gz AQRYLVXTAZWHSC-ICSRJNTNSA-N 1 1 357.498 2.356 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]2CCCN(c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000370092184 556778773 /nfs/dbraw/zinc/77/87/73/556778773.db2.gz MBVSQYRKLAHHAG-CQSZACIVSA-N 1 1 358.398 2.463 20 10 FECDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000372081581 557375706 /nfs/dbraw/zinc/37/57/06/557375706.db2.gz OHZOURMOFSYEAE-NHCUHLMSSA-N 1 1 357.498 2.499 20 10 FECDMO C[C@@]1([C@H]2CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)NC(=O)NC1=O ZINC000372410662 557463765 /nfs/dbraw/zinc/46/37/65/557463765.db2.gz VBAQUNLUSYOMIL-XOBRGWDASA-N 1 1 353.422 2.356 20 10 FECDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000373055214 557617887 /nfs/dbraw/zinc/61/78/87/557617887.db2.gz DWAQNQFWCSLULU-LLVKDONJSA-N 1 1 357.370 2.043 20 10 FECDMO Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000375247994 557998228 /nfs/dbraw/zinc/99/82/28/557998228.db2.gz IMQBFAXVYPADMF-BDJLRTHQSA-N 1 1 352.797 2.028 20 10 FECDMO COC(=O)c1ccnc(N2CCC[N@@H+](Cc3cc(F)ccc3O)CC2)c1 ZINC000376829780 558226702 /nfs/dbraw/zinc/22/67/02/558226702.db2.gz WKSPAVYZXNGBIW-UHFFFAOYSA-N 1 1 359.401 2.425 20 10 FECDMO COc1ccc(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)cc1F ZINC000377893343 558443053 /nfs/dbraw/zinc/44/30/53/558443053.db2.gz GAFRGGGAQMGUPY-MRXNPFEDSA-N 1 1 358.417 2.257 20 10 FECDMO Cn1cc([C@@H]2[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3)CCC[N@H+]2C)cn1 ZINC000378537491 558577831 /nfs/dbraw/zinc/57/78/31/558577831.db2.gz FAJKQWDKCWXNPJ-OFENVMMZSA-N 1 1 370.453 2.044 20 10 FECDMO CCNC(=O)[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435621183 559926396 /nfs/dbraw/zinc/92/63/96/559926396.db2.gz JOHLWISIWBDUEN-HNNXBMFYSA-N 1 1 370.497 2.049 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000527467020 562289080 /nfs/dbraw/zinc/28/90/80/562289080.db2.gz PYIWLYRHRRUVFL-INIZCTEOSA-N 1 1 371.529 2.169 20 10 FECDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000821611162 607386994 /nfs/dbraw/zinc/38/69/94/607386994.db2.gz SSGXBSLEQWRXPP-UHFFFAOYSA-N 1 1 362.441 2.212 20 10 FECDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093664796 670754971 /nfs/dbraw/zinc/75/49/71/670754971.db2.gz LHGFPZSRAZGRKU-ZDUSSCGKSA-N 1 1 355.276 2.309 20 10 FECDMO Oc1c(Br)cccc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093664796 670754974 /nfs/dbraw/zinc/75/49/74/670754974.db2.gz LHGFPZSRAZGRKU-ZDUSSCGKSA-N 1 1 355.276 2.309 20 10 FECDMO COc1ccc(O)c(CNC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000114543512 670891620 /nfs/dbraw/zinc/89/16/20/670891620.db2.gz ZESUPOYSUHHYDL-IYOUNJFTSA-N 1 1 350.459 2.151 20 10 FECDMO COc1ccc(O)c(CNC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000114543512 670891628 /nfs/dbraw/zinc/89/16/28/670891628.db2.gz ZESUPOYSUHHYDL-IYOUNJFTSA-N 1 1 350.459 2.151 20 10 FECDMO CCS(=O)(=O)NCCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000130425349 672075627 /nfs/dbraw/zinc/07/56/27/672075627.db2.gz IEHQAVLAKJALKC-UHFFFAOYSA-N 1 1 353.532 2.438 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)C[C@H](C)SC)CC2)cc1 ZINC000270216945 672948133 /nfs/dbraw/zinc/94/81/33/672948133.db2.gz MGOXKKIYKABASL-HNNXBMFYSA-N 1 1 351.516 2.075 20 10 FECDMO C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708124077 673064193 /nfs/dbraw/zinc/06/41/93/673064193.db2.gz BYCLOWORBWSHCJ-ZDUSSCGKSA-N 1 1 351.672 2.210 20 10 FECDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000733301627 673407695 /nfs/dbraw/zinc/40/76/95/673407695.db2.gz VNFMXCZZBOVVNM-OAHLLOKOSA-N 1 1 364.467 2.068 20 10 FECDMO O=C(CC1(O)CCC1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095920 675728824 /nfs/dbraw/zinc/72/88/24/675728824.db2.gz NTRARKHOYJJIOL-HNNXBMFYSA-N 1 1 352.862 2.431 20 10 FECDMO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000761076994 680710039 /nfs/dbraw/zinc/71/00/39/680710039.db2.gz OOSCFPHACOLUCE-LSDHHAIUSA-N 1 1 363.845 2.437 20 10 FECDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3c(O)cc(C)cc3Cl)C2)nn1 ZINC000840938813 680855112 /nfs/dbraw/zinc/85/51/12/680855112.db2.gz HJIKPTRAYSLTRO-LLVKDONJSA-N 1 1 350.806 2.179 20 10 FECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000840948348 680855927 /nfs/dbraw/zinc/85/59/27/680855927.db2.gz PNGVOGGQHIMXCI-INIZCTEOSA-N 1 1 353.532 2.164 20 10 FECDMO CNC(=O)NC1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000840974661 680858086 /nfs/dbraw/zinc/85/80/86/680858086.db2.gz MSCCPXRRXCFLLT-UHFFFAOYSA-N 1 1 356.264 2.357 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000835026194 680286795 /nfs/dbraw/zinc/28/67/95/680286795.db2.gz RWXDMHSGCVEFPI-MJRGOJFPSA-N 1 1 351.516 2.170 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058795 680985113 /nfs/dbraw/zinc/98/51/13/680985113.db2.gz YJUVUDDPEKTRSV-YOEHRIQHSA-N 1 1 365.905 2.434 20 10 FECDMO Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058795 680985114 /nfs/dbraw/zinc/98/51/14/680985114.db2.gz YJUVUDDPEKTRSV-YOEHRIQHSA-N 1 1 365.905 2.434 20 10 FECDMO Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058795 680985116 /nfs/dbraw/zinc/98/51/16/680985116.db2.gz YJUVUDDPEKTRSV-YOEHRIQHSA-N 1 1 365.905 2.434 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000775036135 681270215 /nfs/dbraw/zinc/27/02/15/681270215.db2.gz BVWGJSGRVUNMRA-ZDUSSCGKSA-N 1 1 352.387 2.127 20 10 FECDMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1)c1ccc(N(C)C)cc1 ZINC000775831774 681340238 /nfs/dbraw/zinc/34/02/38/681340238.db2.gz UNFCXBHFOQNIIJ-CYBMUJFWSA-N 1 1 351.472 2.447 20 10 FECDMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847591598 681400287 /nfs/dbraw/zinc/40/02/87/681400287.db2.gz XINZRLZJGZDXFZ-ZDUSSCGKSA-N 1 1 364.833 2.177 20 10 FECDMO [O-]c1c(Br)cccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848908203 681640599 /nfs/dbraw/zinc/64/05/99/681640599.db2.gz ZBUGUWXBBYBFKG-AWEZNQCLSA-N 1 1 355.276 2.498 20 10 FECDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCCSc1nccs1 ZINC000789092152 682578068 /nfs/dbraw/zinc/57/80/68/682578068.db2.gz VJZGLRFLAUYGEK-UHFFFAOYSA-N 1 1 372.560 2.378 20 10 FECDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCCSc1nccs1 ZINC000789092152 682578070 /nfs/dbraw/zinc/57/80/70/682578070.db2.gz VJZGLRFLAUYGEK-UHFFFAOYSA-N 1 1 372.560 2.378 20 10 FECDMO COC(=O)[C@]12C[N@@H+](Cc3cc(Br)ccc3O)C[C@H]1COCC2 ZINC000793346443 682883532 /nfs/dbraw/zinc/88/35/32/682883532.db2.gz QAWIHSWLKXJJEA-BLLLJJGKSA-N 1 1 370.243 2.166 20 10 FECDMO C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3c([O-])cccc3Br)C2)CC1 ZINC000858135305 682937142 /nfs/dbraw/zinc/93/71/42/682937142.db2.gz QYPIHRMJAKJMSC-CYBMUJFWSA-N 1 1 368.319 2.413 20 10 FECDMO O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927633589 683279983 /nfs/dbraw/zinc/27/99/83/683279983.db2.gz ODAJRYLYZFLHGT-HNNXBMFYSA-N 1 1 353.850 2.098 20 10 FECDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000862552308 683600903 /nfs/dbraw/zinc/60/09/03/683600903.db2.gz VVBALRLWGUWDRP-UKINESCASA-N 1 1 351.516 2.027 20 10 FECDMO OC1CCN(c2ccc(C[N@H+]3CCCN(CC(F)F)CC3)cc2)CC1 ZINC000877529006 686401947 /nfs/dbraw/zinc/40/19/47/686401947.db2.gz PSPWELFURXEHTB-UHFFFAOYSA-N 1 1 353.457 2.421 20 10 FECDMO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883082911 687559489 /nfs/dbraw/zinc/55/94/89/687559489.db2.gz VKGWWHWZCFGSKD-UHFFFAOYSA-N 1 1 372.393 2.211 20 10 FECDMO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883102758 687565275 /nfs/dbraw/zinc/56/52/75/687565275.db2.gz AFCKSUKAWCNIEA-UHFFFAOYSA-N 1 1 371.405 2.380 20 10 FECDMO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883120867 687571474 /nfs/dbraw/zinc/57/14/74/687571474.db2.gz PIMVLVUNTRUHEY-NSHDSACASA-N 1 1 365.268 2.251 20 10 FECDMO C[C@@H]([NH2+]CCN(C)CCOCCO)c1cc(Cl)c(Cl)cc1O ZINC000883351046 687612808 /nfs/dbraw/zinc/61/28/08/687612808.db2.gz WFAKDRMVPIBCDQ-LLVKDONJSA-N 1 1 351.274 2.290 20 10 FECDMO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1c(O)cccc1F ZINC000886538956 688272860 /nfs/dbraw/zinc/27/28/60/688272860.db2.gz QQKUGRCNTPWDAA-SECBINFHSA-N 1 1 370.368 2.496 20 10 FECDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)COCCOC)cc2F)CC1 ZINC000892905971 689262572 /nfs/dbraw/zinc/26/25/72/689262572.db2.gz QISSNUXSNIWODT-INIZCTEOSA-N 1 1 353.482 2.109 20 10 FECDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894401822 689525054 /nfs/dbraw/zinc/52/50/54/689525054.db2.gz HKIQXIAKMUDZPR-HNNXBMFYSA-N 1 1 363.332 2.337 20 10 FECDMO COc1c(O)c(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000896877731 689943248 /nfs/dbraw/zinc/94/32/48/689943248.db2.gz FJAVOHQQPPFSIQ-LLVKDONJSA-N 1 1 351.325 2.281 20 10 FECDMO C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[N@@H+]1CC(C)(C)O ZINC000897499472 690031355 /nfs/dbraw/zinc/03/13/55/690031355.db2.gz MNECKVITQXBABZ-LLVKDONJSA-N 1 1 364.467 2.230 20 10 FECDMO C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[N@H+]1CC(C)(C)O ZINC000897499472 690031358 /nfs/dbraw/zinc/03/13/58/690031358.db2.gz MNECKVITQXBABZ-LLVKDONJSA-N 1 1 364.467 2.230 20 10 FECDMO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000898400770 690176973 /nfs/dbraw/zinc/17/69/73/690176973.db2.gz GVKFZUVNEFRQBW-XMMPIXPASA-N 1 1 361.458 2.457 20 10 FECDMO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@@H+]2Cc2cc(OC)c(C)cc2O)O1 ZINC000902536644 690776022 /nfs/dbraw/zinc/77/60/22/690776022.db2.gz IRRIKAAIWNGERK-XYJFISCASA-N 1 1 351.443 2.104 20 10 FECDMO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@H+]2Cc2cc(OC)c(C)cc2O)O1 ZINC000902536644 690776027 /nfs/dbraw/zinc/77/60/27/690776027.db2.gz IRRIKAAIWNGERK-XYJFISCASA-N 1 1 351.443 2.104 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)C(C)(C)CSC)CC2)cc1 ZINC000800466653 674055579 /nfs/dbraw/zinc/05/55/79/674055579.db2.gz DKYDBCXSGQVZNA-UHFFFAOYSA-N 1 1 365.543 2.323 20 10 FECDMO Cc1cc(C(=O)NCCC[NH+]2CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000061523889 541131900 /nfs/dbraw/zinc/13/19/00/541131900.db2.gz FBOHXNCORJZKSG-UHFFFAOYSA-N 1 1 354.498 2.461 20 10 FECDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000085394458 542726475 /nfs/dbraw/zinc/72/64/75/542726475.db2.gz ANAVHUZUPLTVOQ-LPHOPBHVSA-N 1 1 360.502 2.005 20 10 FECDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093147328 542913345 /nfs/dbraw/zinc/91/33/45/542913345.db2.gz YSWWXSFIFAVUAH-QFIPXVFZSA-N 1 1 372.557 2.125 20 10 FECDMO CN(C)c1ccc(CNC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000107325679 543266434 /nfs/dbraw/zinc/26/64/34/543266434.db2.gz VWKGHVKWIJYIDK-FQEVSTJZSA-N 1 1 373.545 2.064 20 10 FECDMO CCOc1cccc(C[N@H+]2CCCN(CC(=O)N(CC)CC)CC2)c1O ZINC000129234266 544099418 /nfs/dbraw/zinc/09/94/18/544099418.db2.gz JBGHLJDJSRJOLY-UHFFFAOYSA-N 1 1 363.502 2.167 20 10 FECDMO Cc1cc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)[nH]n1 ZINC000134259564 544300629 /nfs/dbraw/zinc/30/06/29/544300629.db2.gz FFIZRYFZMPUHBM-HNNXBMFYSA-N 1 1 362.861 2.400 20 10 FECDMO Cc1cc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n[nH]1 ZINC000134259564 544300631 /nfs/dbraw/zinc/30/06/31/544300631.db2.gz FFIZRYFZMPUHBM-HNNXBMFYSA-N 1 1 362.861 2.400 20 10 FECDMO Cc1cc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n[nH]1 ZINC000134259564 544300633 /nfs/dbraw/zinc/30/06/33/544300633.db2.gz FFIZRYFZMPUHBM-HNNXBMFYSA-N 1 1 362.861 2.400 20 10 FECDMO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179554367 546976491 /nfs/dbraw/zinc/97/64/91/546976491.db2.gz QFILEDGLLUNRHO-UHFFFAOYSA-N 1 1 364.442 2.428 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247984845 549398307 /nfs/dbraw/zinc/39/83/07/549398307.db2.gz IRSRQMLIUBLMDV-AZUAARDMSA-N 1 1 358.530 2.127 20 10 FECDMO COc1cccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000266633315 550022409 /nfs/dbraw/zinc/02/24/09/550022409.db2.gz AGWUWWVDJFFFBF-KRWDZBQOSA-N 1 1 355.438 2.475 20 10 FECDMO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CSC[NH2+]1 ZINC000269273649 550175027 /nfs/dbraw/zinc/17/50/27/550175027.db2.gz VDGOKTPCSSOWKM-FZMZJTMJSA-N 1 1 357.426 2.036 20 10 FECDMO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000272476011 550451354 /nfs/dbraw/zinc/45/13/54/550451354.db2.gz QXYIAILZJPUYDG-LJQANCHMSA-N 1 1 350.482 2.101 20 10 FECDMO CC(C)[NH+]1CCN(C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000272710802 550466300 /nfs/dbraw/zinc/46/63/00/550466300.db2.gz XTQKXEPNGWPZHC-GQCTYLIASA-N 1 1 373.497 2.128 20 10 FECDMO C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000272974705 550479155 /nfs/dbraw/zinc/47/91/55/550479155.db2.gz OSDFFBPLYOKSGQ-KRWDZBQOSA-N 1 1 372.513 2.315 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000284899952 551662343 /nfs/dbraw/zinc/66/23/43/551662343.db2.gz CELCKVJMGMZETM-MRXNPFEDSA-N 1 1 373.497 2.121 20 10 FECDMO CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1O ZINC000285494520 551765377 /nfs/dbraw/zinc/76/53/77/551765377.db2.gz ANUYNXAHIISTDF-OCCSQVGLSA-N 1 1 373.471 2.468 20 10 FECDMO CC[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1O ZINC000285726369 551801948 /nfs/dbraw/zinc/80/19/48/551801948.db2.gz QKWAAMPPSZLZAA-MRXNPFEDSA-N 1 1 352.431 2.462 20 10 FECDMO C[NH+](C)CCCOc1cnccc1CNCc1cc2c(cc1O)OCO2 ZINC000288412375 552149330 /nfs/dbraw/zinc/14/93/30/552149330.db2.gz AQAHVZPVBPSAJI-UHFFFAOYSA-N 1 1 359.426 2.136 20 10 FECDMO COc1ccc(N2CC[NH+](CCNc3nnc(C(F)F)o3)CC2)cc1 ZINC000292432048 552726284 /nfs/dbraw/zinc/72/62/84/552726284.db2.gz GQXHNCOCGKDLEQ-UHFFFAOYSA-N 1 1 353.373 2.250 20 10 FECDMO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CS(C)(=O)=O)C2)c1O ZINC000292812756 552761033 /nfs/dbraw/zinc/76/10/33/552761033.db2.gz OXCYMCFAJCRRQH-NSHDSACASA-N 1 1 362.289 2.330 20 10 FECDMO Cc1cc(Br)cc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)c1O ZINC000292812756 552761034 /nfs/dbraw/zinc/76/10/34/552761034.db2.gz OXCYMCFAJCRRQH-NSHDSACASA-N 1 1 362.289 2.330 20 10 FECDMO CN(C)c1ccc(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1F ZINC000295123992 552961045 /nfs/dbraw/zinc/96/10/45/552961045.db2.gz NRUJYRIFSUKXMI-CQSZACIVSA-N 1 1 355.454 2.209 20 10 FECDMO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3c(F)ccc(O)c3O)nc2)C1 ZINC000295265684 552978258 /nfs/dbraw/zinc/97/82/58/552978258.db2.gz HVAGIPHVTTWWTB-GFCCVEGCSA-N 1 1 360.389 2.025 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1 ZINC000299362646 553553285 /nfs/dbraw/zinc/55/32/85/553553285.db2.gz RLLMKVXWBYURQI-FQEVSTJZSA-N 1 1 355.482 2.424 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)[C@@H](CCO)c2ccccc2)cc1 ZINC000299362646 553553288 /nfs/dbraw/zinc/55/32/88/553553288.db2.gz RLLMKVXWBYURQI-FQEVSTJZSA-N 1 1 355.482 2.424 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2ccnc(-n3cccn3)c2)ccc1[N+](=O)[O-] ZINC000365116004 555489189 /nfs/dbraw/zinc/48/91/89/555489189.db2.gz HYUCITUKFXVFEO-UHFFFAOYSA-N 1 1 355.354 2.180 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2ccc(-n3ccnc3)nc2)ccc1[N+](=O)[O-] ZINC000365798035 555669799 /nfs/dbraw/zinc/66/97/99/555669799.db2.gz SUUGVLSFFJFAHD-UHFFFAOYSA-N 1 1 355.354 2.180 20 10 FECDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000373587387 557724267 /nfs/dbraw/zinc/72/42/67/557724267.db2.gz WUECLYWNKRUJDK-MOPGFXCFSA-N 1 1 362.470 2.066 20 10 FECDMO CCCOc1ccc(C[N@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c(O)c1 ZINC000375200689 557991305 /nfs/dbraw/zinc/99/13/05/557991305.db2.gz IOWHBFWRDZTRKP-CQSZACIVSA-N 1 1 360.414 2.006 20 10 FECDMO O=C1CO[C@@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@H]2N1 ZINC000377228055 558294050 /nfs/dbraw/zinc/29/40/50/558294050.db2.gz YYVGLCLXIFGVLP-UYAOXDASSA-N 1 1 368.433 2.061 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000422386139 559583996 /nfs/dbraw/zinc/58/39/96/559583996.db2.gz SICDTPKNVGZSFZ-MRXNPFEDSA-N 1 1 370.497 2.044 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000444249520 560106868 /nfs/dbraw/zinc/10/68/68/560106868.db2.gz XBWOFBMDDLUEAY-OAHLLOKOSA-N 1 1 370.497 2.001 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1F ZINC000809783934 674509897 /nfs/dbraw/zinc/50/98/97/674509897.db2.gz GFUJOGZRZLAWKV-HNNXBMFYSA-N 1 1 369.506 2.186 20 10 FECDMO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000815570521 674959476 /nfs/dbraw/zinc/95/94/76/674959476.db2.gz DXPUHVVLHPRAGQ-GHMZBOCLSA-N 1 1 366.405 2.486 20 10 FECDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816488088 675059059 /nfs/dbraw/zinc/05/90/59/675059059.db2.gz IADNTTVGUXBUNS-LBPRGKRZSA-N 1 1 364.870 2.479 20 10 FECDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816488088 675059061 /nfs/dbraw/zinc/05/90/61/675059061.db2.gz IADNTTVGUXBUNS-LBPRGKRZSA-N 1 1 364.870 2.479 20 10 FECDMO CC[N@@H+](CC(=O)NC1CCOCC1)Cc1cc(Br)ccc1O ZINC000076118577 670542030 /nfs/dbraw/zinc/54/20/30/670542030.db2.gz OAZZDSZWHNBJGQ-UHFFFAOYSA-N 1 1 371.275 2.272 20 10 FECDMO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000093012706 670747605 /nfs/dbraw/zinc/74/76/05/670747605.db2.gz WJPDMRDTTIBCGN-UHFFFAOYSA-N 1 1 350.321 2.470 20 10 FECDMO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000093012706 670747609 /nfs/dbraw/zinc/74/76/09/670747609.db2.gz WJPDMRDTTIBCGN-UHFFFAOYSA-N 1 1 350.321 2.470 20 10 FECDMO CC[C@@H](C)C[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000111254179 670856262 /nfs/dbraw/zinc/85/62/62/670856262.db2.gz SKPIGTIZJBGCHS-OAHLLOKOSA-N 1 1 351.466 2.256 20 10 FECDMO CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)ccc1[O-] ZINC000817934703 675187252 /nfs/dbraw/zinc/18/72/52/675187252.db2.gz BEDUSZSSTJJRPH-OAHLLOKOSA-N 1 1 356.308 2.491 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]3CSC)CC2)cc1 ZINC000135425520 672133289 /nfs/dbraw/zinc/13/32/89/672133289.db2.gz LVCRIHXPTKVTPM-KRWDZBQOSA-N 1 1 363.527 2.171 20 10 FECDMO CCS(=O)(=O)NCCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000151676977 672167621 /nfs/dbraw/zinc/16/76/21/672167621.db2.gz CCJUNFFGBHREPB-UHFFFAOYSA-N 1 1 352.456 2.317 20 10 FECDMO COCCCNC(=O)C[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164208358 672312449 /nfs/dbraw/zinc/31/24/49/672312449.db2.gz ZDWPMRGTJGCYKF-UHFFFAOYSA-N 1 1 352.475 2.283 20 10 FECDMO COCCCNC(=O)C[N@@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164208358 672312452 /nfs/dbraw/zinc/31/24/52/672312452.db2.gz ZDWPMRGTJGCYKF-UHFFFAOYSA-N 1 1 352.475 2.283 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H](C)SC)CC2)cc1 ZINC000270216949 672948089 /nfs/dbraw/zinc/94/80/89/672948089.db2.gz MGOXKKIYKABASL-OAHLLOKOSA-N 1 1 351.516 2.075 20 10 FECDMO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708516752 673065872 /nfs/dbraw/zinc/06/58/72/673065872.db2.gz LBPMEEXVCUWBQH-ZDUSSCGKSA-N 1 1 358.385 2.396 20 10 FECDMO C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(Br)cc3[O-])C2)CC1 ZINC000825261150 675644134 /nfs/dbraw/zinc/64/41/34/675644134.db2.gz XONGMJUXNPWHSC-HNNXBMFYSA-N 1 1 368.319 2.413 20 10 FECDMO Cc1cc(Br)cc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1O ZINC000827700641 675773614 /nfs/dbraw/zinc/77/36/14/675773614.db2.gz WCQCYTRFEWFWOY-INIZCTEOSA-N 1 1 369.303 2.494 20 10 FECDMO Cc1cc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)ccc1N1CCCCC1 ZINC000828300758 675811706 /nfs/dbraw/zinc/81/17/06/675811706.db2.gz QQOPJVDGXOOBAK-KRWDZBQOSA-N 1 1 351.516 2.238 20 10 FECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000830544624 677046301 /nfs/dbraw/zinc/04/63/01/677046301.db2.gz SAABHVDTGMFKHZ-LJIGWXMPSA-N 1 1 350.846 2.019 20 10 FECDMO O=C(NCc1cccc(Br)c1O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000764783746 680821158 /nfs/dbraw/zinc/82/11/58/680821158.db2.gz LYCWJVCIDZXZAN-CYBMUJFWSA-N 1 1 368.275 2.438 20 10 FECDMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C1=CC(=O)CS1 ZINC000765223122 680836029 /nfs/dbraw/zinc/83/60/29/680836029.db2.gz UPFZUSKRCKUACI-ZDUSSCGKSA-N 1 1 354.472 2.333 20 10 FECDMO Cc1cc([O-])c(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c(Cl)c1 ZINC000840954932 680856817 /nfs/dbraw/zinc/85/68/17/680856817.db2.gz METQHOAKDOYLKJ-UHFFFAOYSA-N 1 1 367.921 2.240 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c1O ZINC000840957526 680856957 /nfs/dbraw/zinc/85/69/57/680856957.db2.gz IZUSYSDWPITOSR-JTQLQIEISA-N 1 1 357.248 2.073 20 10 FECDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c(Cl)c1 ZINC000840948060 680855935 /nfs/dbraw/zinc/85/59/35/680855935.db2.gz KSOPQMGNXWTTNS-ZDUSSCGKSA-N 1 1 360.907 2.457 20 10 FECDMO C[C@H](NC[C@H]1C[N@H+](C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918946 680859432 /nfs/dbraw/zinc/85/94/32/680859432.db2.gz YOZPGLHAQRXTBU-RDJZCZTQSA-N 1 1 366.937 2.073 20 10 FECDMO C[C@H](NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918946 680859434 /nfs/dbraw/zinc/85/94/34/680859434.db2.gz YOZPGLHAQRXTBU-RDJZCZTQSA-N 1 1 366.937 2.073 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000835025423 680286868 /nfs/dbraw/zinc/28/68/68/680286868.db2.gz UOQUFSVORIPAHE-YXMMZVCTSA-N 1 1 351.516 2.027 20 10 FECDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000754725829 680373562 /nfs/dbraw/zinc/37/35/62/680373562.db2.gz BBFREFOQOPOCSJ-HNNXBMFYSA-N 1 1 370.515 2.212 20 10 FECDMO C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756450953 680479845 /nfs/dbraw/zinc/47/98/45/680479845.db2.gz WPVKQDATQSNYRL-JQWIXIFHSA-N 1 1 361.255 2.401 20 10 FECDMO COCCNC(=O)C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000768236638 680941763 /nfs/dbraw/zinc/94/17/63/680941763.db2.gz ICOCMBRNDVCDIZ-UHFFFAOYSA-N 1 1 371.275 2.129 20 10 FECDMO Oc1c(Br)cccc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000769330397 680978389 /nfs/dbraw/zinc/97/83/89/680978389.db2.gz WLQJLWTZJILCJV-LSDHHAIUSA-N 1 1 355.276 2.186 20 10 FECDMO C[N@@H+]1CCC[C@H](N2CCN(Cc3cccc(Br)c3O)CC2)C1 ZINC000769380345 680979987 /nfs/dbraw/zinc/97/99/87/680979987.db2.gz HSEPFWRGPJBFMT-HNNXBMFYSA-N 1 1 368.319 2.367 20 10 FECDMO C[N@H+]1CCC[C@H](N2CCN(Cc3cccc(Br)c3O)CC2)C1 ZINC000769380345 680979988 /nfs/dbraw/zinc/97/99/88/680979988.db2.gz HSEPFWRGPJBFMT-HNNXBMFYSA-N 1 1 368.319 2.367 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058794 680985038 /nfs/dbraw/zinc/98/50/38/680985038.db2.gz YJUVUDDPEKTRSV-WMLDXEAASA-N 1 1 365.905 2.434 20 10 FECDMO Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058794 680985039 /nfs/dbraw/zinc/98/50/39/680985039.db2.gz YJUVUDDPEKTRSV-WMLDXEAASA-N 1 1 365.905 2.434 20 10 FECDMO Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058794 680985040 /nfs/dbraw/zinc/98/50/40/680985040.db2.gz YJUVUDDPEKTRSV-WMLDXEAASA-N 1 1 365.905 2.434 20 10 FECDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCC(=O)C1 ZINC000843831522 681021001 /nfs/dbraw/zinc/02/10/01/681021001.db2.gz QEVQJRFXTIDWHD-DOMZBBRYSA-N 1 1 350.846 2.495 20 10 FECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCC(=O)C1 ZINC000843831522 681021003 /nfs/dbraw/zinc/02/10/03/681021003.db2.gz QEVQJRFXTIDWHD-DOMZBBRYSA-N 1 1 350.846 2.495 20 10 FECDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844864473 681088663 /nfs/dbraw/zinc/08/86/63/681088663.db2.gz ZNKNQKXKTSSQTG-OAHLLOKOSA-N 1 1 355.866 2.202 20 10 FECDMO CCN(C)c1ccc(C[N@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000773775239 681154804 /nfs/dbraw/zinc/15/48/04/681154804.db2.gz XSOYMUIIKGXBBS-SFHVURJKSA-N 1 1 354.516 2.168 20 10 FECDMO CCN(C)c1ccc(C[N@@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000773775239 681154806 /nfs/dbraw/zinc/15/48/06/681154806.db2.gz XSOYMUIIKGXBBS-SFHVURJKSA-N 1 1 354.516 2.168 20 10 FECDMO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847408114 681375200 /nfs/dbraw/zinc/37/52/00/681375200.db2.gz RKPUPOVFNMIAJQ-RWMBFGLXSA-N 1 1 355.866 2.343 20 10 FECDMO C[C@@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847408114 681375204 /nfs/dbraw/zinc/37/52/04/681375204.db2.gz RKPUPOVFNMIAJQ-RWMBFGLXSA-N 1 1 355.866 2.343 20 10 FECDMO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000776812613 681438423 /nfs/dbraw/zinc/43/84/23/681438423.db2.gz LZHYTORMLJNIGL-KBPBESRZSA-N 1 1 360.248 2.065 20 10 FECDMO COc1cc(Br)cc([C@H](C)[NH2+]CCc2n[nH]c(C)n2)c1O ZINC000848543476 681574700 /nfs/dbraw/zinc/57/47/00/681574700.db2.gz FNOJIFXYELJZDL-QMMMGPOBSA-N 1 1 355.236 2.483 20 10 FECDMO COc1cc(Br)cc([C@H](C)[NH2+]CCc2nnc(C)[nH]2)c1O ZINC000848543476 681574706 /nfs/dbraw/zinc/57/47/06/681574706.db2.gz FNOJIFXYELJZDL-QMMMGPOBSA-N 1 1 355.236 2.483 20 10 FECDMO CCc1cnc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000850355490 681890550 /nfs/dbraw/zinc/89/05/50/681890550.db2.gz FUAZVKWZYOLRLB-UHFFFAOYSA-N 1 1 365.524 2.230 20 10 FECDMO COC(=O)c1cn(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)nn1 ZINC000788826459 682558975 /nfs/dbraw/zinc/55/89/75/682558975.db2.gz CQGSOYVGZSBDOA-VIFPVBQESA-N 1 1 358.320 2.140 20 10 FECDMO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc1F ZINC000858134501 682937115 /nfs/dbraw/zinc/93/71/15/682937115.db2.gz RXKUMCJFGQKQFS-GFCCVEGCSA-N 1 1 351.319 2.284 20 10 FECDMO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000796481341 683164663 /nfs/dbraw/zinc/16/46/63/683164663.db2.gz FBDXPSPCOOMQJL-GXFFZTMASA-N 1 1 364.870 2.382 20 10 FECDMO C[N@@H+](CC[S@@](=O)C(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000929184277 683559382 /nfs/dbraw/zinc/55/93/82/683559382.db2.gz DDSSNANCTZVNKS-HSZRJFAPSA-N 1 1 350.406 2.224 20 10 FECDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862349849 683575281 /nfs/dbraw/zinc/57/52/81/683575281.db2.gz UGZVQDXCUGGGMY-OLZOCXBDSA-N 1 1 374.275 2.001 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000862434943 683591845 /nfs/dbraw/zinc/59/18/45/683591845.db2.gz LANQAAKKEREFEO-LLVKDONJSA-N 1 1 360.292 2.399 20 10 FECDMO Cc1nc([C@H]2OCC[C@H]2C[NH2+]Cc2cc(F)c(N(C)C)cc2F)n[nH]1 ZINC000922408527 683716956 /nfs/dbraw/zinc/71/69/56/683716956.db2.gz VXWKDIWCAPHANQ-ZBEGNZNMSA-N 1 1 351.401 2.325 20 10 FECDMO NS(=O)(=O)c1cccc2c1CC[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000872742586 685011449 /nfs/dbraw/zinc/01/14/49/685011449.db2.gz DIVRDVQYQWFRAJ-UHFFFAOYSA-N 1 1 358.463 2.087 20 10 FECDMO NS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000872742586 685011451 /nfs/dbraw/zinc/01/14/51/685011451.db2.gz DIVRDVQYQWFRAJ-UHFFFAOYSA-N 1 1 358.463 2.087 20 10 FECDMO CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000876738156 686257713 /nfs/dbraw/zinc/25/77/13/686257713.db2.gz ZIXAZKVLPCWJBQ-MRXNPFEDSA-N 1 1 368.543 2.293 20 10 FECDMO CC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000876738156 686257715 /nfs/dbraw/zinc/25/77/15/686257715.db2.gz ZIXAZKVLPCWJBQ-MRXNPFEDSA-N 1 1 368.543 2.293 20 10 FECDMO OC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C(F)(F)F ZINC000877693477 686437806 /nfs/dbraw/zinc/43/78/06/686437806.db2.gz HRIFBSZXNHGNIS-WMLDXEAASA-N 1 1 358.404 2.250 20 10 FECDMO COc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(O)c1OC ZINC000892232732 689167712 /nfs/dbraw/zinc/16/77/12/689167712.db2.gz BNBWBCFXNGYLHP-ZMSDIMECSA-N 1 1 350.459 2.093 20 10 FECDMO CCc1nnc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC000893327367 689332659 /nfs/dbraw/zinc/33/26/59/689332659.db2.gz BBNUCWYLIAYDHP-CQSZACIVSA-N 1 1 359.499 2.092 20 10 FECDMO OCCCC[NH+]1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000894022440 689450816 /nfs/dbraw/zinc/45/08/16/689450816.db2.gz ZLUWIUAHHYVNMS-UHFFFAOYSA-N 1 1 361.255 2.184 20 10 FECDMO COc1c(O)c(C[NH2+]CC[C@H](N(C)C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000896877732 689943205 /nfs/dbraw/zinc/94/32/05/689943205.db2.gz FJAVOHQQPPFSIQ-NSHDSACASA-N 1 1 351.325 2.281 20 10 FECDMO COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)s1 ZINC000896969553 689956297 /nfs/dbraw/zinc/95/62/97/689956297.db2.gz ODGBAYURMMFCDY-SNVBAGLBSA-N 1 1 362.407 2.354 20 10 FECDMO CN(C)c1ccc([C@@H](CNc2ncccc2S(C)(=O)=O)[NH+](C)C)cc1 ZINC000897525763 690034135 /nfs/dbraw/zinc/03/41/35/690034135.db2.gz UKMTWUUVSPYZCX-MRXNPFEDSA-N 1 1 362.499 2.266 20 10 FECDMO CCC[C@H](C)[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051686466 540441304 /nfs/dbraw/zinc/44/13/04/540441304.db2.gz PDJWWXXYCIXYGS-HNNXBMFYSA-N 1 1 351.466 2.399 20 10 FECDMO C[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000072878900 541887718 /nfs/dbraw/zinc/88/77/18/541887718.db2.gz FKGCZQRANRVNJW-UHFFFAOYSA-N 1 1 371.456 2.411 20 10 FECDMO C[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000072878900 541887720 /nfs/dbraw/zinc/88/77/20/541887720.db2.gz FKGCZQRANRVNJW-UHFFFAOYSA-N 1 1 371.456 2.411 20 10 FECDMO CCOc1cccc(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)c1O ZINC000092937671 542897454 /nfs/dbraw/zinc/89/74/54/542897454.db2.gz BUUYOTILWVZLNY-UHFFFAOYSA-N 1 1 356.422 2.455 20 10 FECDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000113229712 543478334 /nfs/dbraw/zinc/47/83/34/543478334.db2.gz VADBEIADBONWNZ-JWLNDWNSSA-N 1 1 355.482 2.232 20 10 FECDMO CC(C)[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[NH+]1CCOCC1 ZINC000125233710 543869751 /nfs/dbraw/zinc/86/97/51/543869751.db2.gz JXHLAQQVIRFYRR-FQEVSTJZSA-N 1 1 372.513 2.219 20 10 FECDMO O=C(CCCC[NH+]1CCOCC1)NCc1cc(Br)ccc1O ZINC000804733464 674298989 /nfs/dbraw/zinc/29/89/89/674298989.db2.gz QEGYCXUOBMMUBK-UHFFFAOYSA-N 1 1 371.275 2.273 20 10 FECDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000157105061 545700520 /nfs/dbraw/zinc/70/05/20/545700520.db2.gz SYFRBVSCXOUCRD-HHGHRULOSA-N 1 1 369.509 2.479 20 10 FECDMO CN(C)CC[NH+]1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000173744269 546286268 /nfs/dbraw/zinc/28/62/68/546286268.db2.gz XHNWUQHPYPSEHL-UHFFFAOYSA-N 1 1 374.529 2.096 20 10 FECDMO C[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[N@H+]1C1CC1 ZINC000177071094 546539593 /nfs/dbraw/zinc/53/95/93/546539593.db2.gz XZFZZLIGSSMNID-MPAJKEDASA-N 1 1 355.482 2.278 20 10 FECDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)[C@H](C)C1 ZINC000179502154 546967373 /nfs/dbraw/zinc/96/73/73/546967373.db2.gz IAKXLEZDMKQBFD-ZBFHGGJFSA-N 1 1 350.459 2.273 20 10 FECDMO C[C@@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000181799618 547383936 /nfs/dbraw/zinc/38/39/36/547383936.db2.gz UDHYWQBSXUBCQP-OAHLLOKOSA-N 1 1 372.444 2.024 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c1 ZINC000182304729 547470937 /nfs/dbraw/zinc/47/09/37/547470937.db2.gz YERGCLSGRCSGPC-QGZVFWFLSA-N 1 1 368.499 2.227 20 10 FECDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185391606 547978549 /nfs/dbraw/zinc/97/85/49/547978549.db2.gz IPKQGWXNBDDRKF-CHWSQXEVSA-N 1 1 356.308 2.441 20 10 FECDMO CN(C)c1[nH+]cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1C ZINC000267653877 550033747 /nfs/dbraw/zinc/03/37/47/550033747.db2.gz WQTHVUAMMUJUAQ-UHFFFAOYSA-N 1 1 370.501 2.426 20 10 FECDMO CCN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000269285305 550176208 /nfs/dbraw/zinc/17/62/08/550176208.db2.gz HWNQTYIWYBHUTO-DLBZAZTESA-N 1 1 362.493 2.101 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000269440366 550196261 /nfs/dbraw/zinc/19/62/61/550196261.db2.gz FKTVONJEEBGIBL-KRWDZBQOSA-N 1 1 353.532 2.294 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccc(OC)cc2)c1 ZINC000273542059 550502078 /nfs/dbraw/zinc/50/20/78/550502078.db2.gz YKQJMRPMKRBGQT-ZDUSSCGKSA-N 1 1 372.421 2.268 20 10 FECDMO COc1cc(O)c(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1OC ZINC000274310170 550532159 /nfs/dbraw/zinc/53/21/59/550532159.db2.gz VBDFZQQWNJIWLG-OAHLLOKOSA-N 1 1 365.451 2.285 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000278529331 550795710 /nfs/dbraw/zinc/79/57/10/550795710.db2.gz URBJSAGSEKLSEF-LRDDRELGSA-N 1 1 354.428 2.453 20 10 FECDMO CN(C)c1ccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c(C(F)(F)F)c1 ZINC000279852204 550935974 /nfs/dbraw/zinc/93/59/74/550935974.db2.gz IJKDLMWHMVIFAW-UHFFFAOYSA-N 1 1 352.360 2.413 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)c(C(F)(F)F)c1 ZINC000279852204 550935975 /nfs/dbraw/zinc/93/59/75/550935975.db2.gz IJKDLMWHMVIFAW-UHFFFAOYSA-N 1 1 352.360 2.413 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1)cc2=O ZINC000289859962 552390195 /nfs/dbraw/zinc/39/01/95/552390195.db2.gz QRHGRLBDHHPQIG-GDBMZVCRSA-N 1 1 374.441 2.001 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1)cc2=O ZINC000289859962 552390196 /nfs/dbraw/zinc/39/01/96/552390196.db2.gz QRHGRLBDHHPQIG-GDBMZVCRSA-N 1 1 374.441 2.001 20 10 FECDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000290247061 552447722 /nfs/dbraw/zinc/44/77/22/552447722.db2.gz VGVJDSQPENCAGY-GFCCVEGCSA-N 1 1 353.375 2.020 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000290663137 552515448 /nfs/dbraw/zinc/51/54/48/552515448.db2.gz FWGZXTJFIXVLRJ-GOSISDBHSA-N 1 1 373.497 2.264 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1OC ZINC000293579987 552837239 /nfs/dbraw/zinc/83/72/39/552837239.db2.gz HQTDPNDXPATCFI-KRWDZBQOSA-N 1 1 370.449 2.343 20 10 FECDMO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCC(=O)N1C ZINC000294650846 552923647 /nfs/dbraw/zinc/92/36/47/552923647.db2.gz KVEXMFPANLXIOY-CXAGYDPISA-N 1 1 366.824 2.370 20 10 FECDMO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000294861484 552939618 /nfs/dbraw/zinc/93/96/18/552939618.db2.gz TWUYTXXODHUJMW-DEOSSOPVSA-N 1 1 352.500 2.029 20 10 FECDMO COC[C@@H](C)OC[C@@H](O)C[N@@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000365739420 555656337 /nfs/dbraw/zinc/65/63/37/555656337.db2.gz VFXHSXLOTAQZEW-APWZRJJASA-N 1 1 366.502 2.008 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCc3ccc(S(C)(=O)=O)cc3CC2)c1 ZINC000367174865 556003162 /nfs/dbraw/zinc/00/31/62/556003162.db2.gz SZZISMATRVTYIP-UHFFFAOYSA-N 1 1 361.463 2.405 20 10 FECDMO Cc1c([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(N(C)C)cc2)cnn1C ZINC000367330323 556019888 /nfs/dbraw/zinc/01/98/88/556019888.db2.gz HPAHOWPBONEOLV-LJQANCHMSA-N 1 1 355.486 2.248 20 10 FECDMO Cc1c([C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(N(C)C)cc2)cnn1C ZINC000367330323 556019890 /nfs/dbraw/zinc/01/98/90/556019890.db2.gz HPAHOWPBONEOLV-LJQANCHMSA-N 1 1 355.486 2.248 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)cc1F ZINC000371420100 557181798 /nfs/dbraw/zinc/18/17/98/557181798.db2.gz SVDFBCRCOCZXDV-UHFFFAOYSA-N 1 1 371.460 2.098 20 10 FECDMO CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC000372043103 557364937 /nfs/dbraw/zinc/36/49/37/557364937.db2.gz TWNULSLLHQQVQS-UHFFFAOYSA-N 1 1 367.449 2.367 20 10 FECDMO O=S1(=O)CC[C@@H](NC2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000377201872 558287373 /nfs/dbraw/zinc/28/73/73/558287373.db2.gz QCOOOAHUVOIODT-QGZVFWFLSA-N 1 1 374.506 2.287 20 10 FECDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000377617407 558378427 /nfs/dbraw/zinc/37/84/27/558378427.db2.gz VTZKFVQWOYCNDO-IEBWSBKVSA-N 1 1 362.470 2.009 20 10 FECDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000377617407 558378428 /nfs/dbraw/zinc/37/84/28/558378428.db2.gz VTZKFVQWOYCNDO-IEBWSBKVSA-N 1 1 362.470 2.009 20 10 FECDMO COC(=O)c1ccnc(N2CCC[N@@H+](Cc3cccc(OC)c3O)CC2)c1 ZINC000378352614 558536536 /nfs/dbraw/zinc/53/65/36/558536536.db2.gz YPMZDUJRIGJLRT-UHFFFAOYSA-N 1 1 371.437 2.295 20 10 FECDMO Cn1cc([C@H]2[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3)CCC[N@H+]2C)cn1 ZINC000378537492 558577928 /nfs/dbraw/zinc/57/79/28/558577928.db2.gz FAJKQWDKCWXNPJ-ZPJQXBLHSA-N 1 1 370.453 2.044 20 10 FECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC([NH+](C)C)C2)C1 ZINC000444312464 560109213 /nfs/dbraw/zinc/10/92/13/560109213.db2.gz KZUDQPDFJGSTPA-UHFFFAOYSA-N 1 1 354.498 2.180 20 10 FECDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NCc2ccccc2O)cc1 ZINC000528178769 562317766 /nfs/dbraw/zinc/31/77/66/562317766.db2.gz LGPXWTNYMSHBFK-KRWDZBQOSA-N 1 1 355.438 2.475 20 10 FECDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NCc2ccccc2O)cc1 ZINC000528178769 562317767 /nfs/dbraw/zinc/31/77/67/562317767.db2.gz LGPXWTNYMSHBFK-KRWDZBQOSA-N 1 1 355.438 2.475 20 10 FECDMO COc1cc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(O)cc1C ZINC000808227137 674447653 /nfs/dbraw/zinc/44/76/53/674447653.db2.gz UHOVGUKBOACHJJ-CQSZACIVSA-N 1 1 368.499 2.003 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1F ZINC000809783937 674509957 /nfs/dbraw/zinc/50/99/57/674509957.db2.gz GFUJOGZRZLAWKV-OAHLLOKOSA-N 1 1 369.506 2.186 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+]CCS(=O)(=O)C(C)C)c1 ZINC000809790544 674510234 /nfs/dbraw/zinc/51/02/34/674510234.db2.gz JKMRFVGABOMHCM-UHFFFAOYSA-N 1 1 350.278 2.376 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1-c1nn[nH]n1 ZINC000821610889 607113024 /nfs/dbraw/zinc/11/30/24/607113024.db2.gz JFLANGPAZSNCIM-UHFFFAOYSA-N 1 1 364.453 2.335 20 10 FECDMO Oc1ccccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)C[C@@H]1CCCO1 ZINC000826511535 608498626 /nfs/dbraw/zinc/49/86/26/608498626.db2.gz ULONHCLTPOFHHG-AWEZNQCLSA-N 1 1 355.398 2.347 20 10 FECDMO Oc1ccccc1C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)C[C@@H]1CCCO1 ZINC000826511535 608498627 /nfs/dbraw/zinc/49/86/27/608498627.db2.gz ULONHCLTPOFHHG-AWEZNQCLSA-N 1 1 355.398 2.347 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCS[C@@H](C)[C@H]3C)CC2)cc1 ZINC000112643884 670874721 /nfs/dbraw/zinc/87/47/21/670874721.db2.gz QSCQTUCPGOTZEF-CVEARBPZSA-N 1 1 363.527 2.170 20 10 FECDMO CCC[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)CC[N@H+]1CCOC ZINC000160526181 672291831 /nfs/dbraw/zinc/29/18/31/672291831.db2.gz SEUCIHUAONJMCA-MRXNPFEDSA-N 1 1 352.475 2.342 20 10 FECDMO CCC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)CCN1CCOC ZINC000160526181 672291833 /nfs/dbraw/zinc/29/18/33/672291833.db2.gz SEUCIHUAONJMCA-MRXNPFEDSA-N 1 1 352.475 2.342 20 10 FECDMO CCC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)CCN1CCOC ZINC000160526181 672291834 /nfs/dbraw/zinc/29/18/34/672291834.db2.gz SEUCIHUAONJMCA-MRXNPFEDSA-N 1 1 352.475 2.342 20 10 FECDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000181562711 672427846 /nfs/dbraw/zinc/42/78/46/672427846.db2.gz QFTAAMYVXJUSMI-OAHLLOKOSA-N 1 1 357.495 2.186 20 10 FECDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000181562711 672427848 /nfs/dbraw/zinc/42/78/48/672427848.db2.gz QFTAAMYVXJUSMI-OAHLLOKOSA-N 1 1 357.495 2.186 20 10 FECDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCSc1nccs1 ZINC000189319591 672613595 /nfs/dbraw/zinc/61/35/95/672613595.db2.gz QFUMGEPVKGJBND-ZDUSSCGKSA-N 1 1 372.560 2.112 20 10 FECDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742803986 673738465 /nfs/dbraw/zinc/73/84/65/673738465.db2.gz RUMLQPSLGYXNSJ-XJKSGUPXSA-N 1 1 353.413 2.467 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000825124682 675637687 /nfs/dbraw/zinc/63/76/87/675637687.db2.gz WAFBPIBWTWOIIQ-ZANVPECISA-N 1 1 350.293 2.054 20 10 FECDMO C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825536800 675658111 /nfs/dbraw/zinc/65/81/11/675658111.db2.gz NJDKJJUYFCQAME-CYBMUJFWSA-N 1 1 356.308 2.270 20 10 FECDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H](O)C1CCC1 ZINC000827311282 675747266 /nfs/dbraw/zinc/74/72/66/675747266.db2.gz XYJOOEGVKZQGKJ-DOTOQJQBSA-N 1 1 352.862 2.287 20 10 FECDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828357335 675814994 /nfs/dbraw/zinc/81/49/94/675814994.db2.gz DNDUPOSKCROWND-GOSISDBHSA-N 1 1 365.543 2.499 20 10 FECDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828461368 675821830 /nfs/dbraw/zinc/82/18/30/675821830.db2.gz UQZCPZUWFLNKDU-QGZVFWFLSA-N 1 1 351.516 2.109 20 10 FECDMO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000761076993 680709888 /nfs/dbraw/zinc/70/98/88/680709888.db2.gz OOSCFPHACOLUCE-HUUCEWRRSA-N 1 1 363.845 2.437 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(Cl)c1 ZINC000840909123 680851948 /nfs/dbraw/zinc/85/19/48/680851948.db2.gz AHZYZXQZRNLSNN-CQSZACIVSA-N 1 1 352.862 2.425 20 10 FECDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc3c(c2)sc(=O)n3C)cc1 ZINC000841042789 680860688 /nfs/dbraw/zinc/86/06/88/680860688.db2.gz ONEXMVMTXWOTAE-INIZCTEOSA-N 1 1 356.495 2.456 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000835053688 680291399 /nfs/dbraw/zinc/29/13/99/680291399.db2.gz ZBHZQZFXCVBQKL-LZCIBIBXSA-N 1 1 351.516 2.122 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000835053688 680291403 /nfs/dbraw/zinc/29/14/03/680291403.db2.gz ZBHZQZFXCVBQKL-LZCIBIBXSA-N 1 1 351.516 2.122 20 10 FECDMO CC[N@@H+](CCNC(=O)NCc1cc(OC)ccc1O)CCC(F)(F)F ZINC000755727194 680431513 /nfs/dbraw/zinc/43/15/13/680431513.db2.gz VWQJEFPKRFIXEQ-UHFFFAOYSA-N 1 1 363.380 2.474 20 10 FECDMO C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756450952 680479852 /nfs/dbraw/zinc/47/98/52/680479852.db2.gz WPVKQDATQSNYRL-CMPLNLGQSA-N 1 1 361.255 2.401 20 10 FECDMO COc1ccc(N2CCC[N@H+](CC3(CS(C)(=O)=O)CC3)CC2)cc1 ZINC000757648586 680529720 /nfs/dbraw/zinc/52/97/20/680529720.db2.gz BVXMYFMGOBMHBO-UHFFFAOYSA-N 1 1 352.500 2.032 20 10 FECDMO COc1ccc(N2CCC[N@@H+](CC3(CS(C)(=O)=O)CC3)CC2)cc1 ZINC000757648586 680529724 /nfs/dbraw/zinc/52/97/24/680529724.db2.gz BVXMYFMGOBMHBO-UHFFFAOYSA-N 1 1 352.500 2.032 20 10 FECDMO COC[C@@]1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC[NH2+]1 ZINC000841993974 680920518 /nfs/dbraw/zinc/92/05/18/680920518.db2.gz BUJGIPVSAFSNKX-HNNXBMFYSA-N 1 1 362.257 2.267 20 10 FECDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000769533371 680986175 /nfs/dbraw/zinc/98/61/75/680986175.db2.gz NOLSAZGXXAXDGU-GOSISDBHSA-N 1 1 351.516 2.191 20 10 FECDMO COc1ccc(N(C)CCN(C)C(=O)[C@H](C)[NH+]2CCSCC2)cc1 ZINC000844853876 681088306 /nfs/dbraw/zinc/08/83/06/681088306.db2.gz FPBGBWYAXWDUHQ-HNNXBMFYSA-N 1 1 351.516 2.027 20 10 FECDMO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000845060311 681100924 /nfs/dbraw/zinc/10/09/24/681100924.db2.gz GDMTYVBHAXFKGZ-CVEARBPZSA-N 1 1 367.877 2.488 20 10 FECDMO CCN(C)c1ccc(C[N@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000773775237 681154824 /nfs/dbraw/zinc/15/48/24/681154824.db2.gz XSOYMUIIKGXBBS-GOSISDBHSA-N 1 1 354.516 2.168 20 10 FECDMO CCN(C)c1ccc(C[N@@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000773775237 681154825 /nfs/dbraw/zinc/15/48/25/681154825.db2.gz XSOYMUIIKGXBBS-GOSISDBHSA-N 1 1 354.516 2.168 20 10 FECDMO COC(=O)[C@H](O)C1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781906673 681988076 /nfs/dbraw/zinc/98/80/76/681988076.db2.gz AHBZVZFCHVVWIX-OAHLLOKOSA-N 1 1 372.259 2.209 20 10 FECDMO C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000853248549 682398286 /nfs/dbraw/zinc/39/82/86/682398286.db2.gz VOIQCIHYLMCPLW-UHFFFAOYSA-N 1 1 353.894 2.434 20 10 FECDMO COc1cc(C[N@@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000853564507 682434919 /nfs/dbraw/zinc/43/49/19/682434919.db2.gz PZBBDQNAZKGURO-CYBMUJFWSA-N 1 1 370.515 2.164 20 10 FECDMO COc1cc(C[N@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000853564507 682434922 /nfs/dbraw/zinc/43/49/22/682434922.db2.gz PZBBDQNAZKGURO-CYBMUJFWSA-N 1 1 370.515 2.164 20 10 FECDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@]2(CCOC2)O1 ZINC000793360852 682884903 /nfs/dbraw/zinc/88/49/03/682884903.db2.gz AVSUGFYDRIIYRD-BEFAXECRSA-N 1 1 350.434 2.042 20 10 FECDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@]2(CCOC2)O1 ZINC000793360852 682884907 /nfs/dbraw/zinc/88/49/07/682884907.db2.gz AVSUGFYDRIIYRD-BEFAXECRSA-N 1 1 350.434 2.042 20 10 FECDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000795656285 683077813 /nfs/dbraw/zinc/07/78/13/683077813.db2.gz ILDFTAUQWAYQBP-QGZVFWFLSA-N 1 1 352.500 2.127 20 10 FECDMO O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927633590 683279818 /nfs/dbraw/zinc/27/98/18/683279818.db2.gz ODAJRYLYZFLHGT-OAHLLOKOSA-N 1 1 353.850 2.098 20 10 FECDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(F)cc1O ZINC000799725863 683487802 /nfs/dbraw/zinc/48/78/02/683487802.db2.gz KFEISADKWAFIIL-SNVBAGLBSA-N 1 1 374.384 2.439 20 10 FECDMO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3c(O)cccc3Br)C2)C1 ZINC000877712811 686442717 /nfs/dbraw/zinc/44/27/17/686442717.db2.gz UNVMCDLBAGTDPP-HNNXBMFYSA-N 1 1 369.215 2.049 20 10 FECDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3c(O)cccc3Br)C2)C1 ZINC000877712811 686442725 /nfs/dbraw/zinc/44/27/25/686442725.db2.gz UNVMCDLBAGTDPP-HNNXBMFYSA-N 1 1 369.215 2.049 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1 ZINC000883361324 687613896 /nfs/dbraw/zinc/61/38/96/687613896.db2.gz ZSLBZRJHBILSKN-CPCISQLKSA-N 1 1 357.275 2.388 20 10 FECDMO COc1ccc(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(O)c1OC ZINC000891589364 689080954 /nfs/dbraw/zinc/08/09/54/689080954.db2.gz NDUHUPKRETYYIG-INIZCTEOSA-N 1 1 350.459 2.096 20 10 FECDMO COc1ccc(C[N@@H+]2CCCN(C[C@@H]3CCCO3)CC2)c(O)c1OC ZINC000891589364 689080957 /nfs/dbraw/zinc/08/09/57/689080957.db2.gz NDUHUPKRETYYIG-INIZCTEOSA-N 1 1 350.459 2.096 20 10 FECDMO COc1ccc(C[N@H+]2CCCN(C[C@@H]3CCCO3)CC2)c(O)c1OC ZINC000891589364 689080961 /nfs/dbraw/zinc/08/09/61/689080961.db2.gz NDUHUPKRETYYIG-INIZCTEOSA-N 1 1 350.459 2.096 20 10 FECDMO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000896609420 689905531 /nfs/dbraw/zinc/90/55/31/689905531.db2.gz NTGYNBVUGXFYLR-KGLIPLIRSA-N 1 1 355.891 2.425 20 10 FECDMO O=C(NCc1cccc(Cl)c1O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000896609422 689905639 /nfs/dbraw/zinc/90/56/39/689905639.db2.gz NTGYNBVUGXFYLR-UONOGXRCSA-N 1 1 355.891 2.425 20 10 FECDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc2cc(O)c(O)cc2s1 ZINC000897234746 689992288 /nfs/dbraw/zinc/99/22/88/689992288.db2.gz IVMGKGYHDRHKPS-ZDUSSCGKSA-N 1 1 364.467 2.279 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(NC(=O)c3cccn3C)CC2)c1O ZINC000079409533 542516435 /nfs/dbraw/zinc/51/64/35/542516435.db2.gz WBMWNVZTVMWJNG-UHFFFAOYSA-N 1 1 373.428 2.467 20 10 FECDMO COc1cccc(CNC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000105649328 543178783 /nfs/dbraw/zinc/17/87/83/543178783.db2.gz DHAKRRIISNCMNT-VBQJREDUSA-N 1 1 350.459 2.151 20 10 FECDMO COc1cccc(CNC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000105649328 543178785 /nfs/dbraw/zinc/17/87/85/543178785.db2.gz DHAKRRIISNCMNT-VBQJREDUSA-N 1 1 350.459 2.151 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@@H](C)c1ccncc1)cc2=O ZINC000127650749 544005652 /nfs/dbraw/zinc/00/56/52/544005652.db2.gz KHWDVACHMODAKZ-LBPRGKRZSA-N 1 1 355.398 2.200 20 10 FECDMO COc1ccc(N2CC[NH+](CCNc3ncc(SC)cn3)CC2)cc1 ZINC000804387937 674284380 /nfs/dbraw/zinc/28/43/80/674284380.db2.gz LUVAXGPXRDISHF-UHFFFAOYSA-N 1 1 359.499 2.441 20 10 FECDMO CCOCC[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000171901764 546229510 /nfs/dbraw/zinc/22/95/10/546229510.db2.gz VHKFVHFDPCXHDG-UHFFFAOYSA-N 1 1 360.502 2.151 20 10 FECDMO COCC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@@H](C)C(N)=O ZINC000183051730 547592365 /nfs/dbraw/zinc/59/23/65/547592365.db2.gz RRJYNDPJCHQVBD-HNNXBMFYSA-N 1 1 358.438 2.293 20 10 FECDMO COCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@@H](C)C(N)=O ZINC000183051730 547592369 /nfs/dbraw/zinc/59/23/69/547592369.db2.gz RRJYNDPJCHQVBD-HNNXBMFYSA-N 1 1 358.438 2.293 20 10 FECDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2N2CCN(C)CC2)c1 ZINC000185165863 547944620 /nfs/dbraw/zinc/94/46/20/547944620.db2.gz ZYMMFYPCUPUWCF-OAHLLOKOSA-N 1 1 356.470 2.398 20 10 FECDMO COc1cccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1O ZINC000190310540 548322598 /nfs/dbraw/zinc/32/25/98/548322598.db2.gz UXAVMNWAEZUGMZ-OAQYLSRUSA-N 1 1 356.466 2.470 20 10 FECDMO COc1cccc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000190310540 548322602 /nfs/dbraw/zinc/32/26/02/548322602.db2.gz UXAVMNWAEZUGMZ-OAQYLSRUSA-N 1 1 356.466 2.470 20 10 FECDMO COc1cccc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000190310540 548322606 /nfs/dbraw/zinc/32/26/06/548322606.db2.gz UXAVMNWAEZUGMZ-OAQYLSRUSA-N 1 1 356.466 2.470 20 10 FECDMO C[N@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000248065944 549404980 /nfs/dbraw/zinc/40/49/80/549404980.db2.gz MFJOLVBXBISXKJ-HHGHRULOSA-N 1 1 369.509 2.479 20 10 FECDMO COCC[N@H+]1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000265734154 550013853 /nfs/dbraw/zinc/01/38/53/550013853.db2.gz LGFZSKTWHZEBRU-QGZVFWFLSA-N 1 1 360.502 2.147 20 10 FECDMO CC(C)OCC[NH+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000266859175 550025088 /nfs/dbraw/zinc/02/50/88/550025088.db2.gz OAPDXONRFUOXFA-UHFFFAOYSA-N 1 1 372.513 2.315 20 10 FECDMO CN1CC[NH+](CCOc2ccc(NC(=O)Cc3ccc(N)cc3)cc2)CC1 ZINC000269315100 550180382 /nfs/dbraw/zinc/18/03/82/550180382.db2.gz ZAGZHCDQJYGOBC-UHFFFAOYSA-N 1 1 368.481 2.076 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OC ZINC000271891964 550409105 /nfs/dbraw/zinc/40/91/05/550409105.db2.gz XHAOSQPQSQYRHN-GUYCJALGSA-N 1 1 357.472 2.197 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000273499780 550500644 /nfs/dbraw/zinc/50/06/44/550500644.db2.gz PYMYJFRXECVENS-ZWNOBZJWSA-N 1 1 374.359 2.383 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c1O ZINC000273761549 550510700 /nfs/dbraw/zinc/51/07/00/550510700.db2.gz OZRDSRZJMSMXIP-HNNXBMFYSA-N 1 1 361.866 2.289 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277743023 550709219 /nfs/dbraw/zinc/70/92/19/550709219.db2.gz KZPJHQSUBPYKCW-RHSMWYFYSA-N 1 1 373.419 2.004 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277743023 550709221 /nfs/dbraw/zinc/70/92/21/550709221.db2.gz KZPJHQSUBPYKCW-RHSMWYFYSA-N 1 1 373.419 2.004 20 10 FECDMO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000278544521 550797430 /nfs/dbraw/zinc/79/74/30/550797430.db2.gz YAMLLVFKSKZGJW-ZDUSSCGKSA-N 1 1 360.366 2.411 20 10 FECDMO COc1c(O)c(C[NH2+]CCNC(=O)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000278842584 550827971 /nfs/dbraw/zinc/82/79/71/550827971.db2.gz KDORNMICYLEBGC-UHFFFAOYSA-N 1 1 359.382 2.137 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)ccc1[N+](=O)[O-] ZINC000278889870 550833032 /nfs/dbraw/zinc/83/30/32/550833032.db2.gz PLZMGPPHFNWFNA-UHFFFAOYSA-N 1 1 371.393 2.491 20 10 FECDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000285203809 551720204 /nfs/dbraw/zinc/72/02/04/551720204.db2.gz WNCWFEJKQLMEMJ-OAHLLOKOSA-N 1 1 363.332 2.337 20 10 FECDMO COc1ccc(C(=O)N2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1 ZINC000289666827 552359014 /nfs/dbraw/zinc/35/90/14/552359014.db2.gz DFPUFMLBKHTJDB-UHFFFAOYSA-N 1 1 356.422 2.367 20 10 FECDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000290718551 552525327 /nfs/dbraw/zinc/52/53/27/552525327.db2.gz LSUAFFYXHPHMFG-YLJYHZDGSA-N 1 1 370.497 2.067 20 10 FECDMO Cc1cc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)ccc1N(C)C ZINC000294298808 552895107 /nfs/dbraw/zinc/89/51/07/552895107.db2.gz WVVPFMLPRCQBMW-KRWDZBQOSA-N 1 1 351.516 2.061 20 10 FECDMO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000294769643 552932945 /nfs/dbraw/zinc/93/29/45/552932945.db2.gz KCKYMAOYZRYINU-VWLOTQADSA-N 1 1 369.483 2.067 20 10 FECDMO O=C1COc2cc([N+](=O)[O-])c(N3CC[NH+](Cc4cccs4)CC3)cc2N1 ZINC000301612544 553665406 /nfs/dbraw/zinc/66/54/06/553665406.db2.gz SIQPABDQJOXNJW-UHFFFAOYSA-N 1 1 374.422 2.309 20 10 FECDMO COc1cc([N+](=O)[O-])c(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1OC ZINC000301923733 553692617 /nfs/dbraw/zinc/69/26/17/553692617.db2.gz LUWCHXGSSZHBFC-CYBMUJFWSA-N 1 1 365.430 2.302 20 10 FECDMO CCc1nc(CN2C[C@@H]3C[N@H+](Cc4ccc(N(C)C)cc4)C[C@@H]3C2)no1 ZINC000362086391 554948894 /nfs/dbraw/zinc/94/88/94/554948894.db2.gz LIDXMDXORUNJOQ-CALCHBBNSA-N 1 1 355.486 2.262 20 10 FECDMO Oc1cc2c(cc1C[NH2+]Cc1nnc(-c3ccncc3F)s1)OCO2 ZINC000373474544 557700517 /nfs/dbraw/zinc/70/05/17/557700517.db2.gz NDWHAMHDKZAVPP-UHFFFAOYSA-N 1 1 360.370 2.463 20 10 FECDMO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000373912490 557785695 /nfs/dbraw/zinc/78/56/95/557785695.db2.gz VKBGVVFTOUFJBV-YVEFUNNKSA-N 1 1 350.371 2.084 20 10 FECDMO COC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000373912490 557785697 /nfs/dbraw/zinc/78/56/97/557785697.db2.gz VKBGVVFTOUFJBV-YVEFUNNKSA-N 1 1 350.371 2.084 20 10 FECDMO CN(C)c1ccc(C2=CC[N@@H+](CCN3C(=O)NC4(CCCC4)C3=O)C2)cc1 ZINC000374327882 557866620 /nfs/dbraw/zinc/86/66/20/557866620.db2.gz XRPOWKULRUVSAL-UHFFFAOYSA-N 1 1 368.481 2.316 20 10 FECDMO COc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c(O)c1 ZINC000376567210 558191607 /nfs/dbraw/zinc/19/16/07/558191607.db2.gz STGJVWNRVDXTKT-UHFFFAOYSA-N 1 1 367.409 2.289 20 10 FECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000377886038 558441942 /nfs/dbraw/zinc/44/19/42/558441942.db2.gz XUEBCOXCISWZKS-SFHVURJKSA-N 1 1 354.454 2.256 20 10 FECDMO CNC(=O)NC[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000529645204 562379940 /nfs/dbraw/zinc/37/99/40/562379940.db2.gz XWKYARBWKHNYMW-GOSISDBHSA-N 1 1 355.438 2.189 20 10 FECDMO CNC(=O)NC[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000529645204 562379941 /nfs/dbraw/zinc/37/99/41/562379941.db2.gz XWKYARBWKHNYMW-GOSISDBHSA-N 1 1 355.438 2.189 20 10 FECDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000529833411 562387341 /nfs/dbraw/zinc/38/73/41/562387341.db2.gz RMLRGCVZFXZNIA-HNNXBMFYSA-N 1 1 356.422 2.419 20 10 FECDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000529833411 562387342 /nfs/dbraw/zinc/38/73/42/562387342.db2.gz RMLRGCVZFXZNIA-HNNXBMFYSA-N 1 1 356.422 2.419 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CN(C)C1CC1 ZINC000809950946 674521408 /nfs/dbraw/zinc/52/14/08/674521408.db2.gz SKEXSSAJSPYQIB-HNNXBMFYSA-N 1 1 357.292 2.432 20 10 FECDMO CCN(Cc1cc(Br)ccc1O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000809950946 674521410 /nfs/dbraw/zinc/52/14/10/674521410.db2.gz SKEXSSAJSPYQIB-HNNXBMFYSA-N 1 1 357.292 2.432 20 10 FECDMO CCN(Cc1cc(Br)ccc1O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000809950946 674521411 /nfs/dbraw/zinc/52/14/11/674521411.db2.gz SKEXSSAJSPYQIB-HNNXBMFYSA-N 1 1 357.292 2.432 20 10 FECDMO COc1ccc(N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)cc1 ZINC000826209605 608384512 /nfs/dbraw/zinc/38/45/12/608384512.db2.gz JDNSKVLGTCZCFZ-UHFFFAOYSA-N 1 1 368.416 2.337 20 10 FECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000815117591 674920837 /nfs/dbraw/zinc/92/08/37/674920837.db2.gz HSJJHLHXFMISMV-KRWDZBQOSA-N 1 1 365.543 2.437 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646785 670753923 /nfs/dbraw/zinc/75/39/23/670753923.db2.gz ZOWGFLZOVOBMSE-OALUTQOASA-N 1 1 366.527 2.311 20 10 FECDMO CCc1cc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000116869939 670909068 /nfs/dbraw/zinc/90/90/68/670909068.db2.gz MVNPIMQPGSBFHI-HNNXBMFYSA-N 1 1 354.516 2.376 20 10 FECDMO c1cc(N2CCSCC2)ccc1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817890021 675185342 /nfs/dbraw/zinc/18/53/42/675185342.db2.gz WCJFRRJHCSPRIM-SLFFLAALSA-N 1 1 361.555 2.487 20 10 FECDMO COc1ccc(N2CCC(NC(=O)[C@H](C)[NH+]3CCSCC3)CC2)cc1 ZINC000125103340 672006996 /nfs/dbraw/zinc/00/69/96/672006996.db2.gz VZXKLCVPFPYZBQ-HNNXBMFYSA-N 1 1 363.527 2.218 20 10 FECDMO C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726625589 673132765 /nfs/dbraw/zinc/13/27/65/673132765.db2.gz KCXQUQCQSHUEOJ-MRXNPFEDSA-N 1 1 353.413 2.467 20 10 FECDMO COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)[NH+]3CCSCC3)C2)cc1 ZINC000819586367 675302820 /nfs/dbraw/zinc/30/28/20/675302820.db2.gz OHAWGUGEKGPTMI-HOTGVXAUSA-N 1 1 363.527 2.075 20 10 FECDMO OCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3O)C2)nn1 ZINC000826016750 675678159 /nfs/dbraw/zinc/67/81/59/675678159.db2.gz LJNORNOWXAPRJF-CQSZACIVSA-N 1 1 367.247 2.076 20 10 FECDMO O=C(CC1(O)CCC1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827095921 675728906 /nfs/dbraw/zinc/72/89/06/675728906.db2.gz NTRARKHOYJJIOL-OAHLLOKOSA-N 1 1 352.862 2.431 20 10 FECDMO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCc2ccc(Br)cc21 ZINC000662457754 678623677 /nfs/dbraw/zinc/62/36/77/678623677.db2.gz MTBXWPOPDZBTMZ-NSHDSACASA-N 1 1 361.243 2.452 20 10 FECDMO Cc1cc(O)c(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)c(Cl)c1 ZINC000840939706 680855117 /nfs/dbraw/zinc/85/51/17/680855117.db2.gz PNBNRGKBHAEYHZ-UHFFFAOYSA-N 1 1 372.918 2.049 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC[C@H](SC)C1)cc2=O ZINC000749465614 680052479 /nfs/dbraw/zinc/05/24/79/680052479.db2.gz FVRZREVFLZIVQD-ZDUSSCGKSA-N 1 1 364.471 2.329 20 10 FECDMO O=S(=O)(CC1CC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000751374500 680170070 /nfs/dbraw/zinc/17/00/70/680170070.db2.gz YDRKQVNBTCKORC-OAHLLOKOSA-N 1 1 358.891 2.339 20 10 FECDMO O=S(=O)(CC1CC1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000751374500 680170072 /nfs/dbraw/zinc/17/00/72/680170072.db2.gz YDRKQVNBTCKORC-OAHLLOKOSA-N 1 1 358.891 2.339 20 10 FECDMO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(Br)cc1O ZINC000769989190 681002304 /nfs/dbraw/zinc/00/23/04/681002304.db2.gz QEASZOMVRGPQBK-SECBINFHSA-N 1 1 352.236 2.402 20 10 FECDMO CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771054682 681039481 /nfs/dbraw/zinc/03/94/81/681039481.db2.gz VKAYLDABBAMSPR-IUODEOHRSA-N 1 1 367.877 2.041 20 10 FECDMO Cc1nonc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771058363 681039850 /nfs/dbraw/zinc/03/98/50/681039850.db2.gz MWUBHZSUOJUYGW-ZDUSSCGKSA-N 1 1 350.806 2.131 20 10 FECDMO Cc1nonc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771058363 681039852 /nfs/dbraw/zinc/03/98/52/681039852.db2.gz MWUBHZSUOJUYGW-ZDUSSCGKSA-N 1 1 350.806 2.131 20 10 FECDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845012959 681098683 /nfs/dbraw/zinc/09/86/83/681098683.db2.gz RYUPMLYLQUVDQT-AWEZNQCLSA-N 1 1 368.909 2.118 20 10 FECDMO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000846186656 681197632 /nfs/dbraw/zinc/19/76/32/681197632.db2.gz HJGOHHJLYDHZHU-IUCAKERBSA-N 1 1 353.271 2.384 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2cnn(CC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000775036871 681270305 /nfs/dbraw/zinc/27/03/05/681270305.db2.gz HATKUXIXIWWZML-UHFFFAOYSA-N 1 1 360.292 2.358 20 10 FECDMO C[N@@H+]1CC=C(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000776038416 681357612 /nfs/dbraw/zinc/35/76/12/681357612.db2.gz XKFSAYZZMNPTLF-UHFFFAOYSA-N 1 1 360.527 2.301 20 10 FECDMO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000933697571 681453178 /nfs/dbraw/zinc/45/31/78/681453178.db2.gz WKLNFPHUDSCEPL-AEFFLSMTSA-N 1 1 365.543 2.342 20 10 FECDMO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000793231829 682874430 /nfs/dbraw/zinc/87/44/30/682874430.db2.gz RAEWCBSGDCDOQZ-KXBFYZLASA-N 1 1 350.434 2.042 20 10 FECDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000793231829 682874433 /nfs/dbraw/zinc/87/44/33/682874433.db2.gz RAEWCBSGDCDOQZ-KXBFYZLASA-N 1 1 350.434 2.042 20 10 FECDMO CNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858105924 682934608 /nfs/dbraw/zinc/93/46/08/682934608.db2.gz VTWHWXQCKRFEBF-UHFFFAOYSA-N 1 1 369.437 2.229 20 10 FECDMO C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cccc(C(F)(F)F)c1O ZINC000858468479 682970981 /nfs/dbraw/zinc/97/09/81/682970981.db2.gz HFRRQWCDKYAYCY-RISCZKNCSA-N 1 1 359.392 2.401 20 10 FECDMO CNC(=O)CN1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000798181023 683318292 /nfs/dbraw/zinc/31/82/92/683318292.db2.gz OTDYZKHUCLZLRP-LLVKDONJSA-N 1 1 359.392 2.272 20 10 FECDMO C[NH+](C)Cc1cc(NC(=O)C(=O)NCc2ccccc2O)ccc1Cl ZINC000799253791 683438913 /nfs/dbraw/zinc/43/89/13/683438913.db2.gz WCPIQSCXQYRPFB-UHFFFAOYSA-N 1 1 361.829 2.362 20 10 FECDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000863340266 683708645 /nfs/dbraw/zinc/70/86/45/683708645.db2.gz JLWDYSLUWDYGNT-ZDUSSCGKSA-N 1 1 370.515 2.157 20 10 FECDMO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc(Br)ccc2O)n[nH]1 ZINC000922409802 683716620 /nfs/dbraw/zinc/71/66/20/683716620.db2.gz SNWGGBCVLPQABY-QMTHXVAHSA-N 1 1 367.247 2.449 20 10 FECDMO C[N@H+]1CC[C@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@H]21 ZINC000870982229 684777645 /nfs/dbraw/zinc/77/76/45/684777645.db2.gz MABOKEGZLZYEIK-WMLDXEAASA-N 1 1 356.495 2.482 20 10 FECDMO O[C@@H]([C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877571648 686412245 /nfs/dbraw/zinc/41/22/45/686412245.db2.gz GVQRKFIJBIKUAV-YOEHRIQHSA-N 1 1 358.404 2.393 20 10 FECDMO O=[N+]([O-])c1cc(C[N@H+]2CCSC[C@@H]2CO)ccc1N1CCCCC1 ZINC000877779935 686455451 /nfs/dbraw/zinc/45/54/51/686455451.db2.gz ILWCPHVMBWAOGG-HNNXBMFYSA-N 1 1 351.472 2.495 20 10 FECDMO O=[N+]([O-])c1cc(C[N@@H+]2CCSC[C@@H]2CO)ccc1N1CCCCC1 ZINC000877779935 686455454 /nfs/dbraw/zinc/45/54/54/686455454.db2.gz ILWCPHVMBWAOGG-HNNXBMFYSA-N 1 1 351.472 2.495 20 10 FECDMO COC(=O)C[C@]1([NH2+]Cc2cc(Br)cc(F)c2O)CCOC1 ZINC000883089424 687561584 /nfs/dbraw/zinc/56/15/84/687561584.db2.gz JTRMXEWSFBUPQD-CQSZACIVSA-N 1 1 362.195 2.106 20 10 FECDMO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895837953 689778533 /nfs/dbraw/zinc/77/85/33/689778533.db2.gz RZTAGJDTCRZLQP-KRWDZBQOSA-N 1 1 358.404 2.394 20 10 FECDMO O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000896609424 689905648 /nfs/dbraw/zinc/90/56/48/689905648.db2.gz NTGYNBVUGXFYLR-ZIAGYGMSSA-N 1 1 355.891 2.425 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+]Cc2cnc3n2CCOC3)c1 ZINC000898271408 690152859 /nfs/dbraw/zinc/15/28/59/690152859.db2.gz ZBOSEHXLBNPPPU-UHFFFAOYSA-N 1 1 352.232 2.480 20 10 FECDMO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000902524576 690774388 /nfs/dbraw/zinc/77/43/88/690774388.db2.gz RUNHQHFZRRRQCQ-GFCCVEGCSA-N 1 1 360.435 2.402 20 10 FECDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000025229543 539752148 /nfs/dbraw/zinc/75/21/48/539752148.db2.gz AUTYLCGBUKTBKN-UHFFFAOYSA-N 1 1 368.481 2.034 20 10 FECDMO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000800851367 674083005 /nfs/dbraw/zinc/08/30/05/674083005.db2.gz LQACJBLTDOHCOS-KRWDZBQOSA-N 1 1 362.451 2.018 20 10 FECDMO Cc1noc(C2CC[NH+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000053640867 540547393 /nfs/dbraw/zinc/54/73/93/540547393.db2.gz JWVJUYCNGKVEMR-UHFFFAOYSA-N 1 1 371.485 2.282 20 10 FECDMO COC(=O)c1ccsc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000072517874 541825021 /nfs/dbraw/zinc/82/50/21/541825021.db2.gz KKCGVDSLYJJKGQ-CQSZACIVSA-N 1 1 360.435 2.478 20 10 FECDMO CCC[N@H+]1CC[C@H](CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000097174769 543007216 /nfs/dbraw/zinc/00/72/16/543007216.db2.gz WHBMWTYXSWPCNB-LJQANCHMSA-N 1 1 374.529 2.397 20 10 FECDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000132949307 544249531 /nfs/dbraw/zinc/24/95/31/544249531.db2.gz OOKPTFXVHGJZSG-KRWDZBQOSA-N 1 1 373.409 2.143 20 10 FECDMO C[C@H]1CCC[N@H+]1C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000134753132 544320813 /nfs/dbraw/zinc/32/08/13/544320813.db2.gz DFRHUIZLXZENOQ-KRWDZBQOSA-N 1 1 358.530 2.318 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)cc1 ZINC000135590023 544354774 /nfs/dbraw/zinc/35/47/74/544354774.db2.gz OBZHVYGTUAHHJV-IBGZPJMESA-N 1 1 369.513 2.454 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)cc1 ZINC000135590023 544354776 /nfs/dbraw/zinc/35/47/76/544354776.db2.gz OBZHVYGTUAHHJV-IBGZPJMESA-N 1 1 369.513 2.454 20 10 FECDMO Cc1cc(Cl)cc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c1O ZINC000179683680 546998330 /nfs/dbraw/zinc/99/83/30/546998330.db2.gz AFQVSELOJSZZBV-UHFFFAOYSA-N 1 1 360.845 2.170 20 10 FECDMO Nc1nc(CN2CC[NH+](Cc3cc(F)ccc3O)CC2)nc2ccccc12 ZINC000179895070 547026229 /nfs/dbraw/zinc/02/62/29/547026229.db2.gz ZVALHLDZGYJTKU-UHFFFAOYSA-N 1 1 367.428 2.375 20 10 FECDMO CC(C)c1[nH+]ccn1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000182835562 547559843 /nfs/dbraw/zinc/55/98/43/547559843.db2.gz FIIRCXTVNWYECV-UHFFFAOYSA-N 1 1 360.433 2.299 20 10 FECDMO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185391555 547978452 /nfs/dbraw/zinc/97/84/52/547978452.db2.gz IPKQGWXNBDDRKF-STQMWFEESA-N 1 1 356.308 2.441 20 10 FECDMO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(F)cc1O ZINC000185685468 548019354 /nfs/dbraw/zinc/01/93/54/548019354.db2.gz BBPGAJKZSGVOMP-VIFPVBQESA-N 1 1 370.368 2.496 20 10 FECDMO C[C@@H](CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C[NH+]1CCOCC1 ZINC000265811305 550014429 /nfs/dbraw/zinc/01/44/29/550014429.db2.gz PBLBTENAKVNYBC-KRWDZBQOSA-N 1 1 374.529 2.395 20 10 FECDMO COCCC[N@@H+](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000266798611 550023776 /nfs/dbraw/zinc/02/37/76/550023776.db2.gz NOJXPPOUYIRQQE-UHFFFAOYSA-N 1 1 362.518 2.395 20 10 FECDMO O=C1CCN(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000273113934 550485693 /nfs/dbraw/zinc/48/56/93/550485693.db2.gz ROBVECXAOYQQEW-UHFFFAOYSA-N 1 1 371.403 2.254 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000273407021 550497385 /nfs/dbraw/zinc/49/73/85/550497385.db2.gz OQMSJTNUWFQPKX-DZGCQCFKSA-N 1 1 356.426 2.288 20 10 FECDMO Cn1ncc(Br)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000278302679 550770821 /nfs/dbraw/zinc/77/08/21/550770821.db2.gz CGXADVKGCSJPJU-UHFFFAOYSA-N 1 1 365.275 2.309 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278928110 550837054 /nfs/dbraw/zinc/83/70/54/550837054.db2.gz VUKVWDKEHGOTSZ-CYBMUJFWSA-N 1 1 357.366 2.204 20 10 FECDMO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cccc(F)c2O)CCC(=O)N1C1CC1 ZINC000284943266 551673013 /nfs/dbraw/zinc/67/30/13/551673013.db2.gz VKEIFHCVAQEJSF-CRAIPNDOSA-N 1 1 358.417 2.249 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000291698227 552652627 /nfs/dbraw/zinc/65/26/27/552652627.db2.gz HWHAOJJCIBLXJO-JOCHJYFZSA-N 1 1 367.493 2.005 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000291698227 552652628 /nfs/dbraw/zinc/65/26/28/552652628.db2.gz HWHAOJJCIBLXJO-JOCHJYFZSA-N 1 1 367.493 2.005 20 10 FECDMO O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000292317357 552715531 /nfs/dbraw/zinc/71/55/31/552715531.db2.gz MDOVXIRUKLLHFK-UHFFFAOYSA-N 1 1 370.453 2.037 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)COCCOC ZINC000294947669 552946481 /nfs/dbraw/zinc/94/64/81/552946481.db2.gz KCPIMENXTLBLCO-CQSZACIVSA-N 1 1 362.264 2.001 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000295112498 552959975 /nfs/dbraw/zinc/95/99/75/552959975.db2.gz LVOXWRWFDOGSFW-CYBMUJFWSA-N 1 1 374.865 2.372 20 10 FECDMO CO[C@H]1C[C@@H](CN(C)C(=O)NCc2c(C)c3ccccc3n2C)[N@@H+](C)C1 ZINC000502640016 561622704 /nfs/dbraw/zinc/62/27/04/561622704.db2.gz UTSSVLRCDIKIPQ-HOTGVXAUSA-N 1 1 358.486 2.347 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)N(C)Cc3ccco3)CC2)cc1 ZINC000299521855 553574975 /nfs/dbraw/zinc/57/49/75/553574975.db2.gz ZGVNNPGJPPSCKT-UHFFFAOYSA-N 1 1 372.469 2.252 20 10 FECDMO C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000299538430 553578061 /nfs/dbraw/zinc/57/80/61/553578061.db2.gz OPHCESQCORLFRQ-INIZCTEOSA-N 1 1 371.403 2.252 20 10 FECDMO COc1ccc(N2CCC([N@H+](C)Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000363500941 555121656 /nfs/dbraw/zinc/12/16/56/555121656.db2.gz SWFBMFTTYKLCAW-UHFFFAOYSA-N 1 1 359.430 2.438 20 10 FECDMO COc1ccc(N2CCC([N@@H+](C)Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000363500941 555121658 /nfs/dbraw/zinc/12/16/58/555121658.db2.gz SWFBMFTTYKLCAW-UHFFFAOYSA-N 1 1 359.430 2.438 20 10 FECDMO COc1c([O-])c(C[N@H+]2CCC[C@H]2[C@@H]2CCCN2C(C)=O)ccc1[N+](=O)[O-] ZINC000365791647 555668462 /nfs/dbraw/zinc/66/84/62/555668462.db2.gz BAEAZWUSDBRXJI-GJZGRUSLSA-N 1 1 363.414 2.284 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCN2C(C)=O)ccc1[N+](=O)[O-] ZINC000365791647 555668465 /nfs/dbraw/zinc/66/84/65/555668465.db2.gz BAEAZWUSDBRXJI-GJZGRUSLSA-N 1 1 363.414 2.284 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCN2C(C)=O)ccc1[N+](=O)[O-] ZINC000365791647 555668468 /nfs/dbraw/zinc/66/84/68/555668468.db2.gz BAEAZWUSDBRXJI-GJZGRUSLSA-N 1 1 363.414 2.284 20 10 FECDMO COc1cc(O)c(CN2CCC[N@H+](C3CCOCC3)CC2)cc1OC ZINC000367225250 556003735 /nfs/dbraw/zinc/00/37/35/556003735.db2.gz AMWNHFNZTLVHID-UHFFFAOYSA-N 1 1 350.459 2.096 20 10 FECDMO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000369026885 556480503 /nfs/dbraw/zinc/48/05/03/556480503.db2.gz JRPIOGGJTGVAJB-MOPGFXCFSA-N 1 1 360.502 2.195 20 10 FECDMO COc1c(O)c(C[N@H+](C)C2CCN(c3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC000369494481 556610993 /nfs/dbraw/zinc/61/09/93/556610993.db2.gz QTKXHZIUDWSTSY-UHFFFAOYSA-N 1 1 373.413 2.200 20 10 FECDMO COc1c(O)c(C[N@@H+](C)C2CCN(c3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC000369494481 556610996 /nfs/dbraw/zinc/61/09/96/556610996.db2.gz QTKXHZIUDWSTSY-UHFFFAOYSA-N 1 1 373.413 2.200 20 10 FECDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(N2CCOCC2)cc1 ZINC000371471354 557192114 /nfs/dbraw/zinc/19/21/14/557192114.db2.gz TUXHMEAPHZAEPK-HKBOAZHASA-N 1 1 359.514 2.207 20 10 FECDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000374258711 557853579 /nfs/dbraw/zinc/85/35/79/557853579.db2.gz WQEFXPAJHWTKPV-NHCUHLMSSA-N 1 1 370.497 2.345 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)c1 ZINC000374353906 557870357 /nfs/dbraw/zinc/87/03/57/557870357.db2.gz WPHQTIJRIHTBDV-SFHVURJKSA-N 1 1 362.470 2.298 20 10 FECDMO COCC[N@@H+](C)CCCNC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000376892129 558235063 /nfs/dbraw/zinc/23/50/63/558235063.db2.gz HXFLCNAFRDJVRT-UHFFFAOYSA-N 1 1 360.502 2.130 20 10 FECDMO CCc1nc(CN2C[C@@H]3C[N@H+](Cc4ccc(N(C)C)c(F)c4)C[C@@H]3C2)no1 ZINC000378347096 558535059 /nfs/dbraw/zinc/53/50/59/558535059.db2.gz BZBXAZMOZKXVTE-IYBDPMFKSA-N 1 1 373.476 2.401 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(c2cccnn2)CC1 ZINC000378350864 558536286 /nfs/dbraw/zinc/53/62/86/558536286.db2.gz UVOSHZYMEZJGED-UHFFFAOYSA-N 1 1 367.497 2.414 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000422386138 559584003 /nfs/dbraw/zinc/58/40/03/559584003.db2.gz SICDTPKNVGZSFZ-INIZCTEOSA-N 1 1 370.497 2.044 20 10 FECDMO CNC(=O)C[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000456499127 560522524 /nfs/dbraw/zinc/52/25/24/560522524.db2.gz HAUPGFVRNFPKQY-OAHLLOKOSA-N 1 1 370.497 2.049 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000472283840 561023203 /nfs/dbraw/zinc/02/32/03/561023203.db2.gz GDVWZYJOFPCNII-YWZLYKJASA-N 1 1 370.497 2.349 20 10 FECDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000808226102 674447774 /nfs/dbraw/zinc/44/77/74/674447774.db2.gz GZNNQEXBSUJONV-AWEZNQCLSA-N 1 1 368.499 2.003 20 10 FECDMO Cn1ncc2c1ncnc2N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000124366290 671996017 /nfs/dbraw/zinc/99/60/17/671996017.db2.gz AHGRIYNGJLCBPB-UHFFFAOYSA-N 1 1 358.833 2.045 20 10 FECDMO COc1ccc(N2CCN(C(=O)NCC[N@@H+](C)C(C)C)CC2)cc1F ZINC000125016942 672005404 /nfs/dbraw/zinc/00/54/04/672005404.db2.gz JIRWSRXATAZZMP-UHFFFAOYSA-N 1 1 352.454 2.006 20 10 FECDMO COCCN(C)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000153745058 672203681 /nfs/dbraw/zinc/20/36/81/672203681.db2.gz BMBNIZLSRZJQRQ-MRXNPFEDSA-N 1 1 353.482 2.281 20 10 FECDMO COc1cc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000193737937 672734583 /nfs/dbraw/zinc/73/45/83/672734583.db2.gz SFXCSJBNRVLIOE-BETUJISGSA-N 1 1 353.419 2.157 20 10 FECDMO COc1cc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000193737937 672734586 /nfs/dbraw/zinc/73/45/86/672734586.db2.gz SFXCSJBNRVLIOE-BETUJISGSA-N 1 1 353.419 2.157 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCS[C@@H](C(C)C)C1)cc2=O ZINC000744423589 673795777 /nfs/dbraw/zinc/79/57/77/673795777.db2.gz KXBJLRWVSJASJO-CQSZACIVSA-N 1 1 364.471 2.185 20 10 FECDMO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(Br)cc1O)S(C)(=O)=O ZINC000824819844 675623216 /nfs/dbraw/zinc/62/32/16/675623216.db2.gz UXBJOMGPELTLIT-VHSXEESVSA-N 1 1 350.278 2.408 20 10 FECDMO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(Br)cc1O)S(C)(=O)=O ZINC000824819844 675623217 /nfs/dbraw/zinc/62/32/17/675623217.db2.gz UXBJOMGPELTLIT-VHSXEESVSA-N 1 1 350.278 2.408 20 10 FECDMO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826100233 675682098 /nfs/dbraw/zinc/68/20/98/675682098.db2.gz NXTDIDIGJZHKRK-ZDUSSCGKSA-N 1 1 356.264 2.390 20 10 FECDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000826100233 675682100 /nfs/dbraw/zinc/68/21/00/675682100.db2.gz NXTDIDIGJZHKRK-ZDUSSCGKSA-N 1 1 356.264 2.390 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1O ZINC000826994938 675722093 /nfs/dbraw/zinc/72/20/93/675722093.db2.gz PDRNPZGHVUJABB-GFCCVEGCSA-N 1 1 371.231 2.190 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c1O ZINC000826994938 675722094 /nfs/dbraw/zinc/72/20/94/675722094.db2.gz PDRNPZGHVUJABB-GFCCVEGCSA-N 1 1 371.231 2.190 20 10 FECDMO Cc1cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)ccc1N1CCCCC1 ZINC000827348686 675750051 /nfs/dbraw/zinc/75/00/51/675750051.db2.gz CWVZTKPIEVKEPM-UHFFFAOYSA-N 1 1 365.543 2.453 20 10 FECDMO CCN(C)c1ccc(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1 ZINC000830461674 677040994 /nfs/dbraw/zinc/04/09/94/677040994.db2.gz CTSHYFSSIIGTDQ-QGZVFWFLSA-N 1 1 351.491 2.460 20 10 FECDMO C[C@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000763996648 680797491 /nfs/dbraw/zinc/79/74/91/680797491.db2.gz FNVCRLIMAFCSFX-YJBOKZPZSA-N 1 1 363.527 2.138 20 10 FECDMO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)CC[N@H+]1C ZINC000764791054 680821398 /nfs/dbraw/zinc/82/13/98/680821398.db2.gz MBHWPGUTHXKIIR-PWSUYJOCSA-N 1 1 356.264 2.437 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(Cl)c1 ZINC000840946635 680855664 /nfs/dbraw/zinc/85/56/64/680855664.db2.gz DASVZFGMALVSSD-APPDUMDISA-N 1 1 351.834 2.307 20 10 FECDMO C[C@@H](NC[C@H]1C[N@H+](C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918949 680859346 /nfs/dbraw/zinc/85/93/46/680859346.db2.gz YOZPGLHAQRXTBU-WBVHZDCISA-N 1 1 366.937 2.073 20 10 FECDMO C[C@@H](NC[C@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918949 680859348 /nfs/dbraw/zinc/85/93/48/680859348.db2.gz YOZPGLHAQRXTBU-WBVHZDCISA-N 1 1 366.937 2.073 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000835030607 680287679 /nfs/dbraw/zinc/28/76/79/680287679.db2.gz ZTFTWHBEUNZCED-AATRIKPKSA-N 1 1 351.516 2.122 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000835053690 680291439 /nfs/dbraw/zinc/29/14/39/680291439.db2.gz ZBHZQZFXCVBQKL-YEODSOHDSA-N 1 1 351.516 2.122 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000835053690 680291443 /nfs/dbraw/zinc/29/14/43/680291443.db2.gz ZBHZQZFXCVBQKL-YEODSOHDSA-N 1 1 351.516 2.122 20 10 FECDMO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1O ZINC000756442174 680479141 /nfs/dbraw/zinc/47/91/41/680479141.db2.gz ATRKBGQUVHQBQH-ZDUSSCGKSA-N 1 1 352.431 2.302 20 10 FECDMO Cc1cc(Br)cc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c1O ZINC000841891828 680916466 /nfs/dbraw/zinc/91/64/66/680916466.db2.gz PSFPVVYRNONGTB-OLZOCXBDSA-N 1 1 357.292 2.350 20 10 FECDMO [NH3+]Cc1noc(CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 ZINC000842651233 680957153 /nfs/dbraw/zinc/95/71/53/680957153.db2.gz WESBUWDLVFSGDF-YFHOEESVSA-N 1 1 366.493 2.424 20 10 FECDMO c1nc(CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)cs1 ZINC000769019182 680968177 /nfs/dbraw/zinc/96/81/77/680968177.db2.gz CEGSTJFGMDHFRA-UHFFFAOYSA-N 1 1 358.511 2.298 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000843434925 681004044 /nfs/dbraw/zinc/00/40/44/681004044.db2.gz VKJLEHVCBGNRHB-MFKMUULPSA-N 1 1 355.232 2.393 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1 ZINC000843434925 681004045 /nfs/dbraw/zinc/00/40/45/681004045.db2.gz VKJLEHVCBGNRHB-MFKMUULPSA-N 1 1 355.232 2.393 20 10 FECDMO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[NH+](CCCCCO)CC1 ZINC000913695823 685482567 /nfs/dbraw/zinc/48/25/67/685482567.db2.gz SEWLCBSSQQNFNC-UHFFFAOYSA-N 1 1 364.467 2.233 20 10 FECDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000780893836 681884402 /nfs/dbraw/zinc/88/44/02/681884402.db2.gz UCKFNUJNPDKDLF-AWEZNQCLSA-N 1 1 350.434 2.436 20 10 FECDMO C[NH+](C)Cc1cnc(CNCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850406612 681898403 /nfs/dbraw/zinc/89/84/03/681898403.db2.gz NHPVZIMTZSVGIY-UHFFFAOYSA-N 1 1 360.527 2.456 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000781353488 681925818 /nfs/dbraw/zinc/92/58/18/681925818.db2.gz KTXHPPVIKXNXHY-INIZCTEOSA-N 1 1 355.429 2.415 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000781353488 681925822 /nfs/dbraw/zinc/92/58/22/681925822.db2.gz KTXHPPVIKXNXHY-INIZCTEOSA-N 1 1 355.429 2.415 20 10 FECDMO COc1cc(N(C)CC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000788564900 682539705 /nfs/dbraw/zinc/53/97/05/682539705.db2.gz HVHSYGGAQWOELX-UHFFFAOYSA-N 1 1 353.419 2.159 20 10 FECDMO COc1cc(N(C)CC[N@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000788564900 682539709 /nfs/dbraw/zinc/53/97/09/682539709.db2.gz HVHSYGGAQWOELX-UHFFFAOYSA-N 1 1 353.419 2.159 20 10 FECDMO C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N2CCOCC2)cc1Cl ZINC000795846174 683097177 /nfs/dbraw/zinc/09/71/77/683097177.db2.gz UEVCIEKRODIRTF-NSHDSACASA-N 1 1 361.820 2.209 20 10 FECDMO CCO[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C[NH+](C)C ZINC000926842663 683179264 /nfs/dbraw/zinc/17/92/64/683179264.db2.gz CGTMDQRWVFAOFV-GFCCVEGCSA-N 1 1 364.273 2.465 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)c3ccns3)CC2)cc1 ZINC000860051317 683195558 /nfs/dbraw/zinc/19/55/58/683195558.db2.gz HKMXVRAIHGMLNS-CQSZACIVSA-N 1 1 360.483 2.151 20 10 FECDMO CN(C)c1cc(F)c(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1F ZINC000862239331 683556696 /nfs/dbraw/zinc/55/66/96/683556696.db2.gz CACMSNPBDSCYBL-INIZCTEOSA-N 1 1 352.473 2.243 20 10 FECDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000863339692 683708400 /nfs/dbraw/zinc/70/84/00/683708400.db2.gz FPRGGTVKPGOMNP-AWEZNQCLSA-N 1 1 352.500 2.032 20 10 FECDMO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCC(=O)N1C ZINC000922407424 683716318 /nfs/dbraw/zinc/71/63/18/683716318.db2.gz ZFVRBQXYIKSNJX-SJCJKPOMSA-N 1 1 366.824 2.370 20 10 FECDMO OC1CCN(c2ccc(C[NH2+]Cc3nc4c(s3)COCC4)cc2)CC1 ZINC000922960569 683812313 /nfs/dbraw/zinc/81/23/13/683812313.db2.gz QHZHMHZZNOGJBK-UHFFFAOYSA-N 1 1 359.495 2.467 20 10 FECDMO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](OC)C1CCOCC1 ZINC000877598732 686419373 /nfs/dbraw/zinc/41/93/73/686419373.db2.gz KHGFLJKQXACFKK-GOSISDBHSA-N 1 1 351.443 2.199 20 10 FECDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](OC)C1CCOCC1 ZINC000877598732 686419377 /nfs/dbraw/zinc/41/93/77/686419377.db2.gz KHGFLJKQXACFKK-GOSISDBHSA-N 1 1 351.443 2.199 20 10 FECDMO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@@H](O)C1 ZINC000883196765 687585548 /nfs/dbraw/zinc/58/55/48/687585548.db2.gz VRYRUZSNEXGGSM-KGLIPLIRSA-N 1 1 358.385 2.130 20 10 FECDMO C[C@@H]1CC[N@@H+](CCNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000892030571 689142901 /nfs/dbraw/zinc/14/29/01/689142901.db2.gz AZKWCJLXLFMURJ-MRXNPFEDSA-N 1 1 362.543 2.381 20 10 FECDMO COc1ccc(C[NH+]2CCN(C3=NC[C@@H](C)S3)CC2)c(O)c1OC ZINC000892115280 689152547 /nfs/dbraw/zinc/15/25/47/689152547.db2.gz NNVKZXCQEXASKQ-GFCCVEGCSA-N 1 1 351.472 2.018 20 10 FECDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897421501 690021090 /nfs/dbraw/zinc/02/10/90/690021090.db2.gz GVEFWYYUZMWGPG-LBPRGKRZSA-N 1 1 363.483 2.068 20 10 FECDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C)N1CC(F)(F)F ZINC000902677517 690797667 /nfs/dbraw/zinc/79/76/67/690797667.db2.gz YTNIHQDLQOISNV-RWSFTLGLSA-N 1 1 360.376 2.275 20 10 FECDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C)N1CC(F)(F)F ZINC000902677517 690797671 /nfs/dbraw/zinc/79/76/71/690797671.db2.gz YTNIHQDLQOISNV-RWSFTLGLSA-N 1 1 360.376 2.275 20 10 FECDMO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000093011539 542901485 /nfs/dbraw/zinc/90/14/85/542901485.db2.gz MBLSPWOMIBNLFP-NRFANRHFSA-N 1 1 359.514 2.210 20 10 FECDMO Cc1cc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c(C)n1-c1ccccn1 ZINC000131641863 544199612 /nfs/dbraw/zinc/19/96/12/544199612.db2.gz TUIWJRILLJIUHV-GOSISDBHSA-N 1 1 370.497 2.456 20 10 FECDMO C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[NH+]1CCSCC1 ZINC000133427172 544269912 /nfs/dbraw/zinc/26/99/12/544269912.db2.gz NFPXQLKXWYVKKX-NVXWUHKLSA-N 1 1 364.511 2.337 20 10 FECDMO COc1ccc(N2CC[NH+](CCCN[C@@H](C)c3cnccn3)CC2)cc1 ZINC000162809898 546141833 /nfs/dbraw/zinc/14/18/33/546141833.db2.gz OFRWUBNPHOKJKR-KRWDZBQOSA-N 1 1 355.486 2.348 20 10 FECDMO CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000177037269 546528809 /nfs/dbraw/zinc/52/88/09/546528809.db2.gz WXRHSJBYHLEWOJ-UHFFFAOYSA-N 1 1 361.364 2.382 20 10 FECDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000179882571 547024097 /nfs/dbraw/zinc/02/40/97/547024097.db2.gz LRRVIRRGFXQANZ-LBPRGKRZSA-N 1 1 350.440 2.241 20 10 FECDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2N2CCN(C)CC2)c1 ZINC000185165842 547944975 /nfs/dbraw/zinc/94/49/75/547944975.db2.gz ZYMMFYPCUPUWCF-HNNXBMFYSA-N 1 1 356.470 2.398 20 10 FECDMO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000185881963 548050311 /nfs/dbraw/zinc/05/03/11/548050311.db2.gz TYKULPGLELKGHL-ZDUSSCGKSA-N 1 1 356.308 2.270 20 10 FECDMO Cc1cc(C(=O)CN2CC[NH+](C[C@@H](C)O)CC2)c(C)n1-c1cccc(F)c1 ZINC000189388353 548301989 /nfs/dbraw/zinc/30/19/89/548301989.db2.gz GGNNGXJXJOWNBJ-MRXNPFEDSA-N 1 1 373.472 2.414 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)CCCCSC)CC2)cc1 ZINC000265811536 550014448 /nfs/dbraw/zinc/01/44/48/550014448.db2.gz PNZCFWFGPNBBGK-UHFFFAOYSA-N 1 1 365.543 2.467 20 10 FECDMO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000268789592 550116274 /nfs/dbraw/zinc/11/62/74/550116274.db2.gz BLDSBADOHBEUDO-BBTUJRGHSA-N 1 1 360.546 2.136 20 10 FECDMO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)CC2)cc1 ZINC000268789592 550116276 /nfs/dbraw/zinc/11/62/76/550116276.db2.gz BLDSBADOHBEUDO-BBTUJRGHSA-N 1 1 360.546 2.136 20 10 FECDMO CCN1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC000269285307 550176423 /nfs/dbraw/zinc/17/64/23/550176423.db2.gz HWNQTYIWYBHUTO-IRXDYDNUSA-N 1 1 362.493 2.101 20 10 FECDMO C[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000273044364 550482235 /nfs/dbraw/zinc/48/22/35/550482235.db2.gz WQWXTUIPACLCLY-ZGRWHYIRSA-N 1 1 355.482 2.303 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278168008 550756745 /nfs/dbraw/zinc/75/67/45/550756745.db2.gz AVWNQOXZFVFRIJ-ZFWWWQNUSA-N 1 1 358.442 2.232 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278253182 550765678 /nfs/dbraw/zinc/76/56/78/550765678.db2.gz PIWKUYHVSZKVEL-ZDUSSCGKSA-N 1 1 365.430 2.293 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278253182 550765680 /nfs/dbraw/zinc/76/56/80/550765680.db2.gz PIWKUYHVSZKVEL-ZDUSSCGKSA-N 1 1 365.430 2.293 20 10 FECDMO COc1c(O)c(C[NH2+]C2CCN(C(=O)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278945994 550839040 /nfs/dbraw/zinc/83/90/40/550839040.db2.gz YPLGPEBMRZXDMH-UHFFFAOYSA-N 1 1 351.403 2.046 20 10 FECDMO C[N@H+]1CCN(CCNC(=O)NCc2c(O)ccc3c2CCCC3)CC1(C)C ZINC000282046678 551173839 /nfs/dbraw/zinc/17/38/39/551173839.db2.gz BKKRJQMOWGTLDC-UHFFFAOYSA-N 1 1 374.529 2.096 20 10 FECDMO CCCC[N@@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)Cc1ccccc1O ZINC000282547447 551245211 /nfs/dbraw/zinc/24/52/11/551245211.db2.gz WSDLUFXHFKSNEH-GOSISDBHSA-N 1 1 361.486 2.121 20 10 FECDMO CCNC(=O)C[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284753893 551624919 /nfs/dbraw/zinc/62/49/19/551624919.db2.gz LPEKFVRCGFHCBZ-LJQANCHMSA-N 1 1 374.529 2.092 20 10 FECDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284753892 551624955 /nfs/dbraw/zinc/62/49/55/551624955.db2.gz LPEKFVRCGFHCBZ-IBGZPJMESA-N 1 1 374.529 2.092 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCn2cc(Br)cn2)c1 ZINC000285758307 551806269 /nfs/dbraw/zinc/80/62/69/551806269.db2.gz SNDMYEPJYKHPKH-JTQLQIEISA-N 1 1 368.231 2.489 20 10 FECDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000289848730 552388439 /nfs/dbraw/zinc/38/84/39/552388439.db2.gz PKCCIMSERRJGKT-INIZCTEOSA-N 1 1 372.444 2.046 20 10 FECDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000295139980 552962557 /nfs/dbraw/zinc/96/25/57/552962557.db2.gz ZKTXXHYXQDUCLI-OAHLLOKOSA-N 1 1 358.232 2.166 20 10 FECDMO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000299286413 553542624 /nfs/dbraw/zinc/54/26/24/553542624.db2.gz NMWVSRYLSUULHB-HXUWFJFHSA-N 1 1 371.481 2.043 20 10 FECDMO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000299286413 553542628 /nfs/dbraw/zinc/54/26/28/553542628.db2.gz NMWVSRYLSUULHB-HXUWFJFHSA-N 1 1 371.481 2.043 20 10 FECDMO CN(C)c1ccc(CNC(=O)CN2CC[N@@H+](C)CC23CCCCC3)cc1 ZINC000299449923 553564918 /nfs/dbraw/zinc/56/49/18/553564918.db2.gz ZADSDLNBZJTZGZ-UHFFFAOYSA-N 1 1 358.530 2.319 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCN(C)CC23CCCCC3)cc1 ZINC000299449923 553564921 /nfs/dbraw/zinc/56/49/21/553564921.db2.gz ZADSDLNBZJTZGZ-UHFFFAOYSA-N 1 1 358.530 2.319 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCN(C)CC23CCCCC3)cc1 ZINC000299449923 553564923 /nfs/dbraw/zinc/56/49/23/553564923.db2.gz ZADSDLNBZJTZGZ-UHFFFAOYSA-N 1 1 358.530 2.319 20 10 FECDMO C[NH+]1CCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000363458502 555110846 /nfs/dbraw/zinc/11/08/46/555110846.db2.gz WMHWHKLULUJQOX-UHFFFAOYSA-N 1 1 368.428 2.214 20 10 FECDMO O=C1[C@H]([N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCN1C1CCOCC1 ZINC000363473060 555114235 /nfs/dbraw/zinc/11/42/35/555114235.db2.gz XTWLQQCXANBEQQ-RBUKOAKNSA-N 1 1 374.481 2.153 20 10 FECDMO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)cc1F ZINC000364112663 555251838 /nfs/dbraw/zinc/25/18/38/555251838.db2.gz VFEVULQNYZZPJC-CVEARBPZSA-N 1 1 361.461 2.357 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000365533970 555601327 /nfs/dbraw/zinc/60/13/27/555601327.db2.gz DIXYUGKGPOHGGC-GIVPXCGWSA-N 1 1 370.541 2.127 20 10 FECDMO COc1c([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)ccc1[N+](=O)[O-] ZINC000365791646 555668104 /nfs/dbraw/zinc/66/81/04/555668104.db2.gz BAEAZWUSDBRXJI-CABCVRRESA-N 1 1 363.414 2.284 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)ccc1[N+](=O)[O-] ZINC000365791646 555668107 /nfs/dbraw/zinc/66/81/07/555668107.db2.gz BAEAZWUSDBRXJI-CABCVRRESA-N 1 1 363.414 2.284 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)ccc1[N+](=O)[O-] ZINC000365791646 555668108 /nfs/dbraw/zinc/66/81/08/555668108.db2.gz BAEAZWUSDBRXJI-CABCVRRESA-N 1 1 363.414 2.284 20 10 FECDMO Nc1nccc([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000367656606 556106397 /nfs/dbraw/zinc/10/63/97/556106397.db2.gz DKZWLUKHRUJODC-KRWDZBQOSA-N 1 1 353.470 2.275 20 10 FECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369050586 556489096 /nfs/dbraw/zinc/48/90/96/556489096.db2.gz IVVISHZWPMGLJX-RTBURBONSA-N 1 1 360.502 2.147 20 10 FECDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000372283226 557429170 /nfs/dbraw/zinc/42/91/70/557429170.db2.gz RSAVAHKPCDZVPO-LSDHHAIUSA-N 1 1 353.390 2.276 20 10 FECDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000372283226 557429173 /nfs/dbraw/zinc/42/91/73/557429173.db2.gz RSAVAHKPCDZVPO-LSDHHAIUSA-N 1 1 353.390 2.276 20 10 FECDMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000374847872 557940189 /nfs/dbraw/zinc/94/01/89/557940189.db2.gz TVYLLRFOXWAACQ-LBPRGKRZSA-N 1 1 358.398 2.182 20 10 FECDMO COc1cc(Cl)cc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000375202377 557991119 /nfs/dbraw/zinc/99/11/19/557991119.db2.gz QIPNCYXENDBEMS-MRXNPFEDSA-N 1 1 353.894 2.266 20 10 FECDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCCN2CCC2)C1 ZINC000444267801 560107524 /nfs/dbraw/zinc/10/75/24/560107524.db2.gz QNRBJORUOXZWML-UHFFFAOYSA-N 1 1 354.498 2.230 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCN2CCC2)C1 ZINC000444267801 560107525 /nfs/dbraw/zinc/10/75/25/560107525.db2.gz QNRBJORUOXZWML-UHFFFAOYSA-N 1 1 354.498 2.230 20 10 FECDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471866630 561013296 /nfs/dbraw/zinc/01/32/96/561013296.db2.gz VXZYZMIBTRKYAN-INIZCTEOSA-N 1 1 358.486 2.397 20 10 FECDMO CC[C@@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CC[N@H+]1C[C@@H](C)O ZINC000472219561 561021373 /nfs/dbraw/zinc/02/13/73/561021373.db2.gz GWBPMLUOSREULB-NVXWUHKLSA-N 1 1 372.513 2.473 20 10 FECDMO Cn1cncc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108070 674405293 /nfs/dbraw/zinc/40/52/93/674405293.db2.gz QUIMGIAVVFFWIZ-OAHLLOKOSA-N 1 1 362.861 2.102 20 10 FECDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000808227193 674448020 /nfs/dbraw/zinc/44/80/20/674448020.db2.gz VGRNBYSZPGDCBW-OAHLLOKOSA-N 1 1 352.500 2.303 20 10 FECDMO Cc1cc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)ccc1N(C)C ZINC000815020871 674899192 /nfs/dbraw/zinc/89/91/92/674899192.db2.gz JNVCUERBOMWLOJ-KRWDZBQOSA-N 1 1 353.532 2.355 20 10 FECDMO OCc1cn([C@H]2CCC[N@H+](Cc3cccc(Br)c3O)C2)nn1 ZINC000816641716 675070090 /nfs/dbraw/zinc/07/00/90/675070090.db2.gz CVGWQCMWQQBAQJ-ZDUSSCGKSA-N 1 1 367.247 2.076 20 10 FECDMO OCc1cn([C@H]2CCC[N@@H+](Cc3cccc(Br)c3O)C2)nn1 ZINC000816641716 675070092 /nfs/dbraw/zinc/07/00/92/675070092.db2.gz CVGWQCMWQQBAQJ-ZDUSSCGKSA-N 1 1 367.247 2.076 20 10 FECDMO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(Br)cc(OC)c1O ZINC000092382140 670738554 /nfs/dbraw/zinc/73/85/54/670738554.db2.gz DWPAQCFPFCCJFC-UHFFFAOYSA-N 1 1 359.264 2.464 20 10 FECDMO CN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000111232970 670855746 /nfs/dbraw/zinc/85/57/46/670855746.db2.gz AACKHFDTCXAUTL-AWEZNQCLSA-N 1 1 360.376 2.394 20 10 FECDMO C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)[NH+]1CCSCC1 ZINC000133172206 672107140 /nfs/dbraw/zinc/10/71/40/672107140.db2.gz HVPHCOGBXQGQSB-HNNXBMFYSA-N 1 1 365.568 2.293 20 10 FECDMO C[N@@H+](CC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCSC1 ZINC000136585124 672139275 /nfs/dbraw/zinc/13/92/75/672139275.db2.gz OLYZFMZZUZLFDH-KRWDZBQOSA-N 1 1 365.568 2.293 20 10 FECDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCCSc1nccs1 ZINC000153439441 672198410 /nfs/dbraw/zinc/19/84/10/672198410.db2.gz IOPLKQUFPYTFFY-ZDUSSCGKSA-N 1 1 358.533 2.035 20 10 FECDMO CCOC(=O)CN(Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1O ZINC000822512050 675489498 /nfs/dbraw/zinc/48/94/98/675489498.db2.gz SWCFBXITUSMPOF-UHFFFAOYSA-N 1 1 363.483 2.476 20 10 FECDMO Cc1cc(Br)c(O)c(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000824926780 675629155 /nfs/dbraw/zinc/62/91/55/675629155.db2.gz TTZGFGHLDSSFEC-BETUJISGSA-N 1 1 357.292 2.350 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c1O ZINC000825130484 675638306 /nfs/dbraw/zinc/63/83/06/675638306.db2.gz YWBYGDXRJCEXIK-GWCFXTLKSA-N 1 1 360.248 2.135 20 10 FECDMO Cc1cc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000827842869 675782828 /nfs/dbraw/zinc/78/28/28/675782828.db2.gz COZQUDOZBKLBLL-QGZVFWFLSA-N 1 1 351.516 2.109 20 10 FECDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828610672 675833719 /nfs/dbraw/zinc/83/37/19/675833719.db2.gz STSLBPGGSAUCOB-SFHVURJKSA-N 1 1 365.543 2.499 20 10 FECDMO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000761123398 680711792 /nfs/dbraw/zinc/71/17/92/680711792.db2.gz ILEYGKQZBAEPMS-CABCVRRESA-N 1 1 363.845 2.437 20 10 FECDMO Cc1cc([O-])c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1 ZINC000841070314 680861826 /nfs/dbraw/zinc/86/18/26/680861826.db2.gz NEMPBUNMJJNBJT-CQSZACIVSA-N 1 1 351.800 2.280 20 10 FECDMO CC[N@@H+](CCSC)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000830993783 679906098 /nfs/dbraw/zinc/90/60/98/679906098.db2.gz DITJUVLKEZRGGC-UHFFFAOYSA-N 1 1 351.516 2.029 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000835051702 680291546 /nfs/dbraw/zinc/29/15/46/680291546.db2.gz GWGXDDYVBLVWJZ-FZMUQLTDSA-N 1 1 365.543 2.369 20 10 FECDMO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000756446458 680479384 /nfs/dbraw/zinc/47/93/84/680479384.db2.gz QGHGGISKCXSWOZ-LBPRGKRZSA-N 1 1 352.431 2.431 20 10 FECDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000837464473 680607167 /nfs/dbraw/zinc/60/71/67/680607167.db2.gz CQYUSTXLHNNJMO-AWEZNQCLSA-N 1 1 370.471 2.183 20 10 FECDMO CCOc1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c(O)c1 ZINC000768438256 680947067 /nfs/dbraw/zinc/94/70/67/680947067.db2.gz QQONLXGESODEMG-HNNXBMFYSA-N 1 1 356.488 2.085 20 10 FECDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769007509 680967782 /nfs/dbraw/zinc/96/77/82/680967782.db2.gz UOODLKVOOOFTTQ-GOEBONIOSA-N 1 1 351.466 2.255 20 10 FECDMO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cccc(Br)c3O)CC2)C1 ZINC000769380347 680980113 /nfs/dbraw/zinc/98/01/13/680980113.db2.gz HSEPFWRGPJBFMT-OAHLLOKOSA-N 1 1 368.319 2.367 20 10 FECDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3cccc(Br)c3O)CC2)C1 ZINC000769380347 680980114 /nfs/dbraw/zinc/98/01/14/680980114.db2.gz HSEPFWRGPJBFMT-OAHLLOKOSA-N 1 1 368.319 2.367 20 10 FECDMO CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC(F)(F)C[NH3+])cc1 ZINC000846676869 681274721 /nfs/dbraw/zinc/27/47/21/681274721.db2.gz JTJDTMBTLVFEMM-INIZCTEOSA-N 1 1 355.429 2.244 20 10 FECDMO C[C@H](CNC(=O)NCCCSc1nccs1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847335548 681364793 /nfs/dbraw/zinc/36/47/93/681364793.db2.gz FJLHVAIBCNINCG-MCIONIFRSA-N 1 1 372.560 2.422 20 10 FECDMO C[C@H](CNC(=O)NCCCSc1nccs1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847335548 681364798 /nfs/dbraw/zinc/36/47/98/681364798.db2.gz FJLHVAIBCNINCG-MCIONIFRSA-N 1 1 372.560 2.422 20 10 FECDMO C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1O ZINC000788828639 682558950 /nfs/dbraw/zinc/55/89/50/682558950.db2.gz VKCOEOCNUFGFDG-JTQLQIEISA-N 1 1 367.389 2.001 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)c1O ZINC000856789892 682811044 /nfs/dbraw/zinc/81/10/44/682811044.db2.gz RMVKLOXEZZYYJB-QGZVFWFLSA-N 1 1 363.410 2.493 20 10 FECDMO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000866440894 684105142 /nfs/dbraw/zinc/10/51/42/684105142.db2.gz VOFKTXJFQHIDFQ-CIUDSAMLSA-N 1 1 363.241 2.416 20 10 FECDMO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925167332 684534119 /nfs/dbraw/zinc/53/41/19/684534119.db2.gz PPAWBXOXVATQRR-UONOGXRCSA-N 1 1 355.891 2.425 20 10 FECDMO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925409378 684560338 /nfs/dbraw/zinc/56/03/38/684560338.db2.gz FMIGRPGYDPYUEO-ZDUSSCGKSA-N 1 1 356.264 2.390 20 10 FECDMO COc1ccc(N2CC[NH+](CCO[C@H]3CCCCO3)CC2)c(OC)c1 ZINC000879461424 686827253 /nfs/dbraw/zinc/82/72/53/686827253.db2.gz CDAXDCHIKBWLTN-IBGZPJMESA-N 1 1 350.459 2.369 20 10 FECDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H](C)N1CC(F)(F)F ZINC000902677516 690797365 /nfs/dbraw/zinc/79/73/65/690797365.db2.gz YTNIHQDLQOISNV-JRPNMDOOSA-N 1 1 360.376 2.275 20 10 FECDMO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H](C)N1CC(F)(F)F ZINC000902677516 690797371 /nfs/dbraw/zinc/79/73/71/690797371.db2.gz YTNIHQDLQOISNV-JRPNMDOOSA-N 1 1 360.376 2.275 20 10 FECDMO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081557856 542665198 /nfs/dbraw/zinc/66/51/98/542665198.db2.gz YATGWNDOJMLZEL-IRXDYDNUSA-N 1 1 361.461 2.153 20 10 FECDMO CCN(CC)c1ccc(CNC(=O)NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000083712211 542701193 /nfs/dbraw/zinc/70/11/93/542701193.db2.gz BSGXOZVCMAXTMM-UHFFFAOYSA-N 1 1 358.490 2.332 20 10 FECDMO CCOc1ccnc(N2CCC[N@@H+](Cc3cccc(OC)c3O)CC2)n1 ZINC000091959526 542834199 /nfs/dbraw/zinc/83/41/99/542834199.db2.gz RHGIWWDVOIZKTP-UHFFFAOYSA-N 1 1 358.442 2.302 20 10 FECDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)NCc1cccnc1 ZINC000111232991 543387213 /nfs/dbraw/zinc/38/72/13/543387213.db2.gz NHTDPSZVPCPAOY-GOSISDBHSA-N 1 1 355.438 2.085 20 10 FECDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)NCc1cccnc1 ZINC000111232991 543387216 /nfs/dbraw/zinc/38/72/16/543387216.db2.gz NHTDPSZVPCPAOY-GOSISDBHSA-N 1 1 355.438 2.085 20 10 FECDMO CCC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CC(=O)N(C)C1=O ZINC000802656589 674190318 /nfs/dbraw/zinc/19/03/18/674190318.db2.gz QUBAKGDRIFBXSJ-GFCCVEGCSA-N 1 1 355.232 2.124 20 10 FECDMO C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](C)O1 ZINC000125226024 543868483 /nfs/dbraw/zinc/86/84/83/543868483.db2.gz XQZBTQQMCZVZTL-HDICACEKSA-N 1 1 372.513 2.361 20 10 FECDMO Nc1ccc(CCNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000152518369 544663556 /nfs/dbraw/zinc/66/35/56/544663556.db2.gz HANMYNHFBLWAQX-HXUWFJFHSA-N 1 1 353.466 2.219 20 10 FECDMO Nc1ccc(CCNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000152518369 544663559 /nfs/dbraw/zinc/66/35/59/544663559.db2.gz HANMYNHFBLWAQX-HXUWFJFHSA-N 1 1 353.466 2.219 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1 ZINC000159448996 545953810 /nfs/dbraw/zinc/95/38/10/545953810.db2.gz SLDMYUKTOYVJQW-HNNXBMFYSA-N 1 1 356.488 2.085 20 10 FECDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)C[C@H](C)O1 ZINC000180741499 547170944 /nfs/dbraw/zinc/17/09/44/547170944.db2.gz ISBPJJFBDKOHOF-YHDUYMPDSA-N 1 1 374.481 2.459 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000183162096 547613820 /nfs/dbraw/zinc/61/38/20/547613820.db2.gz WXAZVMPFWIQJMH-NIYFSFCBSA-N 1 1 373.522 2.078 20 10 FECDMO COc1cc(N2CCN(CC[C@H]3CCC[N@H+]3C)CC2)cc(OC)c1OC ZINC000183706610 547704745 /nfs/dbraw/zinc/70/47/45/547704745.db2.gz XHBUDFMOWHXLJI-MRXNPFEDSA-N 1 1 363.502 2.319 20 10 FECDMO C[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1[O-])N1CC[NH+](C)CC1 ZINC000185365897 547975372 /nfs/dbraw/zinc/97/53/72/547975372.db2.gz AXCGPUFSFVHBEK-CHWSQXEVSA-N 1 1 356.308 2.441 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193996640 548419742 /nfs/dbraw/zinc/41/97/42/548419742.db2.gz HLBPQDJYRIJUAC-KRWDZBQOSA-N 1 1 355.486 2.314 20 10 FECDMO COc1cccc(CNC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000247033823 549270553 /nfs/dbraw/zinc/27/05/53/549270553.db2.gz DHAKRRIISNCMNT-JKIFEVAISA-N 1 1 350.459 2.151 20 10 FECDMO COc1cccc(CNC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000247033823 549270554 /nfs/dbraw/zinc/27/05/54/549270554.db2.gz DHAKRRIISNCMNT-JKIFEVAISA-N 1 1 350.459 2.151 20 10 FECDMO CCN1CC[NH+](CCC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000263685370 549919113 /nfs/dbraw/zinc/91/91/13/549919113.db2.gz OPBNYXYYHGWVOO-UHFFFAOYSA-N 1 1 358.530 2.271 20 10 FECDMO C[N@@H+](CCNC(=O)NCc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000264289026 549993725 /nfs/dbraw/zinc/99/37/25/549993725.db2.gz GIMCYBBLJLLGNM-UHFFFAOYSA-N 1 1 360.502 2.197 20 10 FECDMO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000268789594 550116376 /nfs/dbraw/zinc/11/63/76/550116376.db2.gz BLDSBADOHBEUDO-DBXWQHBBSA-N 1 1 360.546 2.136 20 10 FECDMO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)CC2)cc1 ZINC000268789594 550116379 /nfs/dbraw/zinc/11/63/79/550116379.db2.gz BLDSBADOHBEUDO-DBXWQHBBSA-N 1 1 360.546 2.136 20 10 FECDMO CCN1CC[NH+](Cc2ccc(CNC(=O)Cc3ccc(N)cc3)cc2)CC1 ZINC000269307735 550179440 /nfs/dbraw/zinc/17/94/40/550179440.db2.gz UTGCSGHBYQNIBI-UHFFFAOYSA-N 1 1 366.509 2.265 20 10 FECDMO O=C(CCCC[NH+]1CCOCC1)NCc1cccc(Br)c1O ZINC000277408513 550666849 /nfs/dbraw/zinc/66/68/49/550666849.db2.gz BVRDWUWQCUOBEI-UHFFFAOYSA-N 1 1 371.275 2.273 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)cc2=O ZINC000278723511 550815141 /nfs/dbraw/zinc/81/51/41/550815141.db2.gz KUQRLHIFYPSKHZ-JTQLQIEISA-N 1 1 372.347 2.386 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000282990742 551294298 /nfs/dbraw/zinc/29/42/98/551294298.db2.gz FNSMKFAFBXSUIB-YEWWUXTCSA-N 1 1 363.454 2.397 20 10 FECDMO CC[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(F)cc1O ZINC000286288438 551870300 /nfs/dbraw/zinc/87/03/00/551870300.db2.gz WCWCTYYEAHNWLB-HOCLYGCPSA-N 1 1 374.478 2.061 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289716422 552366923 /nfs/dbraw/zinc/36/69/23/552366923.db2.gz XACZCOQHVRGWGM-UYAOXDASSA-N 1 1 357.498 2.402 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289716422 552366926 /nfs/dbraw/zinc/36/69/26/552366926.db2.gz XACZCOQHVRGWGM-UYAOXDASSA-N 1 1 357.498 2.402 20 10 FECDMO CCOC(=O)CNC(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294274315 552893071 /nfs/dbraw/zinc/89/30/71/552893071.db2.gz ONSREXULCLMQLR-UHFFFAOYSA-N 1 1 372.824 2.076 20 10 FECDMO O=C(NCc1ccc(N2CCOCC2)cc1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294345761 552899053 /nfs/dbraw/zinc/89/90/53/552899053.db2.gz AVZGFDPZDAJCBD-UHFFFAOYSA-N 1 1 363.421 2.034 20 10 FECDMO COc1ccc(N2CC[NH+](Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1F ZINC000294391316 552902496 /nfs/dbraw/zinc/90/24/96/552902496.db2.gz VJIQGHHOOVGEHZ-UHFFFAOYSA-N 1 1 371.412 2.487 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)COCCOC ZINC000294947665 552946423 /nfs/dbraw/zinc/94/64/23/552946423.db2.gz KCPIMENXTLBLCO-AWEZNQCLSA-N 1 1 362.264 2.001 20 10 FECDMO C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@H+](C2CC2)C1 ZINC000297364106 553283377 /nfs/dbraw/zinc/28/33/77/553283377.db2.gz LUWKONOGALXPFS-KRWDZBQOSA-N 1 1 372.513 2.149 20 10 FECDMO COc1ccc(N2CCC([N@@H+](C)C[C@@H](C)CS(C)(=O)=O)CC2)cc1 ZINC000361334451 554917016 /nfs/dbraw/zinc/91/70/16/554917016.db2.gz FWHKBDQMWXRBSO-OAHLLOKOSA-N 1 1 354.516 2.277 20 10 FECDMO Cn1ccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000364689720 555375892 /nfs/dbraw/zinc/37/58/92/555375892.db2.gz YVQHBJLUWDSZQH-MRXNPFEDSA-N 1 1 362.861 2.102 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)C2CCN(c3cccnn3)CC2)cc1OC ZINC000364902865 555431942 /nfs/dbraw/zinc/43/19/42/555431942.db2.gz CGVXFOLQFXVVJO-UHFFFAOYSA-N 1 1 358.442 2.300 20 10 FECDMO Cc1nccc(CN2CCC[C@H]([NH2+][C@H](C)c3ccc(F)cc3O)C2=O)n1 ZINC000366683200 555907921 /nfs/dbraw/zinc/90/79/21/555907921.db2.gz KECZLZVLRXMDNL-PXAZEXFGSA-N 1 1 358.417 2.472 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000368874198 556435317 /nfs/dbraw/zinc/43/53/17/556435317.db2.gz DIMGVXUWHZMUEN-IBGZPJMESA-N 1 1 355.486 2.245 20 10 FECDMO CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000369026886 556480687 /nfs/dbraw/zinc/48/06/87/556480687.db2.gz JRPIOGGJTGVAJB-OALUTQOASA-N 1 1 360.502 2.195 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000373940494 557792060 /nfs/dbraw/zinc/79/20/60/557792060.db2.gz YNOVSVSWJPRBLH-GOSISDBHSA-N 1 1 367.497 2.381 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000373940494 557792064 /nfs/dbraw/zinc/79/20/64/557792064.db2.gz YNOVSVSWJPRBLH-GOSISDBHSA-N 1 1 367.497 2.381 20 10 FECDMO CC(C)(O)C[N@H+]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000376384980 558166558 /nfs/dbraw/zinc/16/65/58/558166558.db2.gz KZEWEGACGXYGBA-UHFFFAOYSA-N 1 1 372.513 2.051 20 10 FECDMO O=C1CO[C@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@@H]2N1 ZINC000377228053 558293986 /nfs/dbraw/zinc/29/39/86/558293986.db2.gz YYVGLCLXIFGVLP-ICSRJNTNSA-N 1 1 368.433 2.061 20 10 FECDMO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCc2[nH+]ccn21 ZINC000377764431 558415075 /nfs/dbraw/zinc/41/50/75/558415075.db2.gz RILHVYUQXYVQTF-SFHVURJKSA-N 1 1 372.444 2.177 20 10 FECDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N=c2ccn(C)[nH]2)C1 ZINC000435635990 559926907 /nfs/dbraw/zinc/92/69/07/559926907.db2.gz IHRYDIUKXCDDDH-UHFFFAOYSA-N 1 1 351.454 2.780 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N=c2ccn(C)[nH]2)C1 ZINC000435635990 559926908 /nfs/dbraw/zinc/92/69/08/559926908.db2.gz IHRYDIUKXCDDDH-UHFFFAOYSA-N 1 1 351.454 2.780 20 10 FECDMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826291515 608854131 /nfs/dbraw/zinc/85/41/31/608854131.db2.gz JQXRMYCAELYTDS-GOSISDBHSA-N 1 1 351.410 2.454 20 10 FECDMO C[N@@H+](Cc1ccccc1S(N)(=O)=O)Cc1c(O)ccc2ccncc21 ZINC000814232360 674827425 /nfs/dbraw/zinc/82/74/25/674827425.db2.gz SAYGYMYRJANHMU-UHFFFAOYSA-N 1 1 357.435 2.220 20 10 FECDMO COc1ccc(N2CCC(NC(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)cc1 ZINC000155399874 672232592 /nfs/dbraw/zinc/23/25/92/672232592.db2.gz DCGYEGWLZOSDMG-QGZVFWFLSA-N 1 1 363.527 2.218 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCSC[C@@H](C)C3)CC2)cc1 ZINC000190412202 672640480 /nfs/dbraw/zinc/64/04/80/672640480.db2.gz LGZDDCMXQNCGIH-INIZCTEOSA-N 1 1 363.527 2.029 20 10 FECDMO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000742804726 673738667 /nfs/dbraw/zinc/73/86/67/673738667.db2.gz AZUWBTKYEYFCAW-ZIAGYGMSSA-N 1 1 353.413 2.325 20 10 FECDMO COc1ccc(N2CC[C@@H](CNC(=O)C[N@@H+](C)[C@@H]3CCSC3)C2)cc1 ZINC000819586852 675302826 /nfs/dbraw/zinc/30/28/26/675302826.db2.gz VCCOGKHHTNKTPU-DOTOQJQBSA-N 1 1 363.527 2.075 20 10 FECDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(Br)cc1O ZINC000825621630 675661265 /nfs/dbraw/zinc/66/12/65/675661265.db2.gz NHOQDXNOUXEBAS-GFCCVEGCSA-N 1 1 357.292 2.432 20 10 FECDMO Cc1ccn(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000827096146 675728771 /nfs/dbraw/zinc/72/87/71/675728771.db2.gz RLTRMAMNDLHMGD-MRXNPFEDSA-N 1 1 362.861 2.331 20 10 FECDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000827545037 675763959 /nfs/dbraw/zinc/76/39/59/675763959.db2.gz RLAXYEJDOHQEJK-CYBMUJFWSA-N 1 1 356.264 2.342 20 10 FECDMO Cc1cc(Br)c(O)c(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1 ZINC000841891684 680916589 /nfs/dbraw/zinc/91/65/89/680916589.db2.gz OOUGJELJIHGASS-CHWSQXEVSA-N 1 1 357.292 2.350 20 10 FECDMO C[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C[N@H+]1C1CC1 ZINC000762097446 680740393 /nfs/dbraw/zinc/74/03/93/680740393.db2.gz TXYVAMWOZWKVLJ-ABAIWWIYSA-N 1 1 363.845 2.435 20 10 FECDMO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCc2cc(Br)ccc21 ZINC000662416886 678618514 /nfs/dbraw/zinc/61/85/14/678618514.db2.gz IVKUWLXMNJCEKM-NSHDSACASA-N 1 1 361.243 2.452 20 10 FECDMO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000834877417 680279285 /nfs/dbraw/zinc/27/92/85/680279285.db2.gz DDGZECNCORUHFR-VHSXEESVSA-N 1 1 354.394 2.389 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000835030610 680287673 /nfs/dbraw/zinc/28/76/73/680287673.db2.gz ZTFTWHBEUNZCED-WAYWQWQTSA-N 1 1 351.516 2.122 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1 ZINC000756366324 680474477 /nfs/dbraw/zinc/47/44/77/680474477.db2.gz GTPCNCFJLOBETA-YOEHRIQHSA-N 1 1 350.459 2.186 20 10 FECDMO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756533657 680483611 /nfs/dbraw/zinc/48/36/11/680483611.db2.gz GCNJPRKCNVMPMF-QMMMGPOBSA-N 1 1 354.241 2.379 20 10 FECDMO Cc1cc(Br)c(O)c(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1 ZINC000841891688 680916488 /nfs/dbraw/zinc/91/64/88/680916488.db2.gz OOUGJELJIHGASS-QWHCGFSZSA-N 1 1 357.292 2.350 20 10 FECDMO Oc1c(Br)cccc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000769330126 680978454 /nfs/dbraw/zinc/97/84/54/680978454.db2.gz WLQJLWTZJILCJV-CABCVRRESA-N 1 1 355.276 2.186 20 10 FECDMO [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC12CCOCC2 ZINC000843125194 680989298 /nfs/dbraw/zinc/98/92/98/680989298.db2.gz NTWUSPHUWXKLIN-LBPRGKRZSA-N 1 1 355.822 2.141 20 10 FECDMO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3cncc(F)c3)c2)CC1 ZINC000769848871 680997227 /nfs/dbraw/zinc/99/72/27/680997227.db2.gz QKFKXKDUKJXYAP-UHFFFAOYSA-N 1 1 364.446 2.163 20 10 FECDMO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1cc(Br)ccc1O ZINC000769989944 681002247 /nfs/dbraw/zinc/00/22/47/681002247.db2.gz SCSDAQDXOONBSQ-VIFPVBQESA-N 1 1 352.236 2.402 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CCSC[C@H]2CCO)c1O ZINC000770305723 681012525 /nfs/dbraw/zinc/01/25/25/681012525.db2.gz JOEYWCPMSPSWJM-GFCCVEGCSA-N 1 1 362.289 2.463 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCSC[C@H]2CCO)c1O ZINC000770305723 681012526 /nfs/dbraw/zinc/01/25/26/681012526.db2.gz JOEYWCPMSPSWJM-GFCCVEGCSA-N 1 1 362.289 2.463 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1[O-] ZINC000846221649 681203309 /nfs/dbraw/zinc/20/33/09/681203309.db2.gz AJIBPZWBZQIXSD-OWQGQXMQSA-N 1 1 350.434 2.452 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1[O-] ZINC000846221649 681203313 /nfs/dbraw/zinc/20/33/13/681203313.db2.gz AJIBPZWBZQIXSD-OWQGQXMQSA-N 1 1 350.434 2.452 20 10 FECDMO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000776812615 681438359 /nfs/dbraw/zinc/43/83/59/681438359.db2.gz LZHYTORMLJNIGL-UONOGXRCSA-N 1 1 360.248 2.065 20 10 FECDMO C[C@H](NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)c1ccc(N(C)C)cc1 ZINC000914392204 685506406 /nfs/dbraw/zinc/50/64/06/685506406.db2.gz VRIJVBGFFJJPOK-YJBOKZPZSA-N 1 1 351.516 2.219 20 10 FECDMO CC(C)[N@@H+](Cc1coc(S(N)(=O)=O)c1)Cc1ccc(N(C)C)cc1 ZINC000851732424 682115255 /nfs/dbraw/zinc/11/52/55/682115255.db2.gz PWPZWXDWGYHNOZ-UHFFFAOYSA-N 1 1 351.472 2.404 20 10 FECDMO COc1ccc(N2CCN(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1F ZINC000851808094 682142117 /nfs/dbraw/zinc/14/21/17/682142117.db2.gz KYZAFXIHVGFEEE-IYBDPMFKSA-N 1 1 351.466 2.066 20 10 FECDMO COc1ccc(N2CC[NH+](CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1F ZINC000851808094 682142126 /nfs/dbraw/zinc/14/21/26/682142126.db2.gz KYZAFXIHVGFEEE-IYBDPMFKSA-N 1 1 351.466 2.066 20 10 FECDMO Cc1cc(Br)cc([C@H](C)NCc2nc(C[NH3+])cc(=O)[nH]2)c1O ZINC000854231220 682526879 /nfs/dbraw/zinc/52/68/79/682526879.db2.gz CPMBRFZPZXQVNY-VIFPVBQESA-N 1 1 367.247 2.268 20 10 FECDMO O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000788389972 682527545 /nfs/dbraw/zinc/52/75/45/682527545.db2.gz XYLRIHDPQABUJY-GOSISDBHSA-N 1 1 364.511 2.271 20 10 FECDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c(C(F)(F)F)c1 ZINC000792823186 682842892 /nfs/dbraw/zinc/84/28/92/682842892.db2.gz QLMNNHADIZBWAU-CYBMUJFWSA-N 1 1 365.421 2.024 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)c(C(F)(F)F)c1 ZINC000792823186 682842896 /nfs/dbraw/zinc/84/28/96/682842896.db2.gz QLMNNHADIZBWAU-CYBMUJFWSA-N 1 1 365.421 2.024 20 10 FECDMO COc1cc(O)c(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1OC ZINC000857059006 682851196 /nfs/dbraw/zinc/85/11/96/682851196.db2.gz XVZVJVFBGINBAZ-HNNXBMFYSA-N 1 1 363.435 2.169 20 10 FECDMO CN(C)c1cc(F)c(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1F ZINC000862249331 683559180 /nfs/dbraw/zinc/55/91/80/683559180.db2.gz ZYZSBTVTOVQPFK-UHFFFAOYSA-N 1 1 352.429 2.411 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)cc1 ZINC000862551626 683600382 /nfs/dbraw/zinc/60/03/82/683600382.db2.gz OXYIRVIIMOZXOQ-QGZVFWFLSA-N 1 1 353.532 2.294 20 10 FECDMO CCO[C@@H](CNCc1cc(Br)cc(OC)c1O)C[NH+](C)C ZINC000922756845 683778159 /nfs/dbraw/zinc/77/81/59/683778159.db2.gz PKNVBICLFDMAQD-ZDUSSCGKSA-N 1 1 361.280 2.220 20 10 FECDMO CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315701 684261760 /nfs/dbraw/zinc/26/17/60/684261760.db2.gz YEMOATBOOSECJM-CQSZACIVSA-N 1 1 355.276 2.355 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315701 684261763 /nfs/dbraw/zinc/26/17/63/684261763.db2.gz YEMOATBOOSECJM-CQSZACIVSA-N 1 1 355.276 2.355 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000925143010 684528322 /nfs/dbraw/zinc/52/83/22/684528322.db2.gz PGTRJIFZWFOFEI-MSOLQXFVSA-N 1 1 362.543 2.474 20 10 FECDMO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1c(O)cccc1F ZINC000886510059 688270117 /nfs/dbraw/zinc/27/01/17/688270117.db2.gz RVRVVYCVRAVORD-ZDUSSCGKSA-N 1 1 352.431 2.302 20 10 FECDMO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1c(O)cccc1F ZINC000886510058 688270344 /nfs/dbraw/zinc/27/03/44/688270344.db2.gz RVRVVYCVRAVORD-CYBMUJFWSA-N 1 1 352.431 2.302 20 10 FECDMO COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3cc(F)cc(F)c3O)C2)CCC1 ZINC000897702129 690066574 /nfs/dbraw/zinc/06/65/74/690066574.db2.gz JCCUYAOBQDRRPU-GOSISDBHSA-N 1 1 355.381 2.341 20 10 FECDMO COC(=O)C1([C@@]2(O)CCC[N@@H+](Cc3cc(F)cc(F)c3O)C2)CCC1 ZINC000897702129 690066578 /nfs/dbraw/zinc/06/65/78/690066578.db2.gz JCCUYAOBQDRRPU-GOSISDBHSA-N 1 1 355.381 2.341 20 10 FECDMO CN(c1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1)S(C)(=O)=O ZINC000898281189 690153356 /nfs/dbraw/zinc/15/33/56/690153356.db2.gz LDPDBULIIHWTAQ-UHFFFAOYSA-N 1 1 356.394 2.356 20 10 FECDMO C[C@@H]1C[N@H+](CCCNC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000045633769 540218936 /nfs/dbraw/zinc/21/89/36/540218936.db2.gz WFLLTWJRENBJLK-CALCHBBNSA-N 1 1 362.518 2.393 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000801507222 674132259 /nfs/dbraw/zinc/13/22/59/674132259.db2.gz BBVOLMANWRJHAR-QGZVFWFLSA-N 1 1 353.532 2.246 20 10 FECDMO CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000093132860 542911438 /nfs/dbraw/zinc/91/14/38/542911438.db2.gz FYMIKBDOZVCVDD-OAHLLOKOSA-N 1 1 368.865 2.166 20 10 FECDMO CN(C)c1ccc(CNC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134934402 544328005 /nfs/dbraw/zinc/32/80/05/544328005.db2.gz HVGDNNVRYWKKCO-NQIIRXRSSA-N 1 1 370.541 2.318 20 10 FECDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000155771377 545567894 /nfs/dbraw/zinc/56/78/94/545567894.db2.gz UNGYCYURNAFWAC-ARGQNCHBSA-N 1 1 357.498 2.381 20 10 FECDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000158456284 545861734 /nfs/dbraw/zinc/86/17/34/545861734.db2.gz UAHSRAQSAIAIER-IBGZPJMESA-N 1 1 374.529 2.300 20 10 FECDMO C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1[O-] ZINC000184900243 547896214 /nfs/dbraw/zinc/89/62/14/547896214.db2.gz FGHQFNVTNODIIH-ZDUSSCGKSA-N 1 1 356.308 2.443 20 10 FECDMO C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])N1CC[NH+](C)CC1 ZINC000185365843 547975424 /nfs/dbraw/zinc/97/54/24/547975424.db2.gz AXCGPUFSFVHBEK-STQMWFEESA-N 1 1 356.308 2.441 20 10 FECDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1 ZINC000246681003 549187542 /nfs/dbraw/zinc/18/75/42/549187542.db2.gz VVHHGEYCBKSPJS-YLJYHZDGSA-N 1 1 369.513 2.491 20 10 FECDMO CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3cc(C)ccc3O)CC2)n1 ZINC000247228706 549302063 /nfs/dbraw/zinc/30/20/63/549302063.db2.gz WFIMMLQEUAEVNA-HNNXBMFYSA-N 1 1 360.458 2.499 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000264679146 549999572 /nfs/dbraw/zinc/99/95/72/549999572.db2.gz YZUNWYPIGCOAIW-XCBOUCJHSA-N 1 1 355.482 2.279 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000265525045 550011022 /nfs/dbraw/zinc/01/10/22/550011022.db2.gz JWRDEDRPYPCSNE-WBVHZDCISA-N 1 1 373.419 2.099 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000265525045 550011025 /nfs/dbraw/zinc/01/10/25/550011025.db2.gz JWRDEDRPYPCSNE-WBVHZDCISA-N 1 1 373.419 2.099 20 10 FECDMO CN(C)c1ccc(CNC(=O)CN2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000265671517 550013241 /nfs/dbraw/zinc/01/32/41/550013241.db2.gz XNRZWROFZFZHIU-UHFFFAOYSA-N 1 1 358.530 2.319 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)c3cccnc3)CC2)cc1 ZINC000266834464 550024579 /nfs/dbraw/zinc/02/45/79/550024579.db2.gz KWGJVFYJBMQKOJ-KRWDZBQOSA-N 1 1 368.481 2.132 20 10 FECDMO CN(C)c1ccc(C[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C2CC2)cc1 ZINC000267928584 550036165 /nfs/dbraw/zinc/03/61/65/550036165.db2.gz KWSXMYPTEVQTAP-QGZVFWFLSA-N 1 1 365.543 2.389 20 10 FECDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268197465 550037848 /nfs/dbraw/zinc/03/78/48/550037848.db2.gz NZHXABINNPQSBF-AHEMIPHESA-N 1 1 355.482 2.135 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275140616 550570557 /nfs/dbraw/zinc/57/05/57/550570557.db2.gz VFNMZUUODIYUAJ-SNVBAGLBSA-N 1 1 362.323 2.234 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277743032 550709005 /nfs/dbraw/zinc/70/90/05/550709005.db2.gz KZPJHQSUBPYKCW-YOEHRIQHSA-N 1 1 373.419 2.004 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277743032 550709007 /nfs/dbraw/zinc/70/90/07/550709007.db2.gz KZPJHQSUBPYKCW-YOEHRIQHSA-N 1 1 373.419 2.004 20 10 FECDMO COc1cc(O)c(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1OC ZINC000278241133 550764421 /nfs/dbraw/zinc/76/44/21/550764421.db2.gz KXZOEORUYSBLAC-AWEZNQCLSA-N 1 1 350.459 2.095 20 10 FECDMO COc1c(O)c(C[NH2+]CCCN(C)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000278846782 550828434 /nfs/dbraw/zinc/82/84/34/550828434.db2.gz KQPOILVYFDRGQW-UHFFFAOYSA-N 1 1 351.325 2.283 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000284899951 551662404 /nfs/dbraw/zinc/66/24/04/551662404.db2.gz CELCKVJMGMZETM-INIZCTEOSA-N 1 1 373.497 2.121 20 10 FECDMO CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1O ZINC000285494522 551765371 /nfs/dbraw/zinc/76/53/71/551765371.db2.gz ANUYNXAHIISTDF-TZMCWYRMSA-N 1 1 373.471 2.468 20 10 FECDMO COc1cc(N2CC[NH+](CCC(=O)C(C)C)CC2)cc(OC)c1OC ZINC000289854540 552389344 /nfs/dbraw/zinc/38/93/44/552389344.db2.gz KWZNAVBCXQRYRQ-UHFFFAOYSA-N 1 1 350.459 2.450 20 10 FECDMO COc1cc(N2CC[NH+](Cc3c(C)cnn3C)CC2)cc(OC)c1OC ZINC000290359365 552466772 /nfs/dbraw/zinc/46/67/72/552466772.db2.gz MRFPATREUONRIQ-UHFFFAOYSA-N 1 1 360.458 2.077 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](CSC)C1)cc2=O ZINC000292513018 552733904 /nfs/dbraw/zinc/73/39/04/552733904.db2.gz VRWBLBULKMTZGL-GFCCVEGCSA-N 1 1 364.471 2.187 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](c4n[nH]c(=O)o4)C3)cc2)CC1 ZINC000295407719 553001504 /nfs/dbraw/zinc/00/15/04/553001504.db2.gz SJTKYKBCNMDUDT-MRXNPFEDSA-N 1 1 372.469 2.358 20 10 FECDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4n[nH]c(=O)o4)C3)cc2)CC1 ZINC000295407719 553001505 /nfs/dbraw/zinc/00/15/05/553001505.db2.gz SJTKYKBCNMDUDT-MRXNPFEDSA-N 1 1 372.469 2.358 20 10 FECDMO CCOc1ccc(O)c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000295866629 553069506 /nfs/dbraw/zinc/06/95/06/553069506.db2.gz ABCWFXYKFUKCRF-UHFFFAOYSA-N 1 1 358.398 2.416 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)[C@H](CCO)c2ccccc2)cc1 ZINC000299362654 553553263 /nfs/dbraw/zinc/55/32/63/553553263.db2.gz RLLMKVXWBYURQI-HXUWFJFHSA-N 1 1 355.482 2.424 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)[C@H](CCO)c2ccccc2)cc1 ZINC000299362654 553553265 /nfs/dbraw/zinc/55/32/65/553553265.db2.gz RLLMKVXWBYURQI-HXUWFJFHSA-N 1 1 355.482 2.424 20 10 FECDMO COc1ccc(N2CCC([N@@H+](C)CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000363367649 555087098 /nfs/dbraw/zinc/08/70/98/555087098.db2.gz SSXRKRHCLFIJJE-UHFFFAOYSA-N 1 1 359.430 2.401 20 10 FECDMO COc1cc(Cl)cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c1O ZINC000363909057 555211291 /nfs/dbraw/zinc/21/12/91/555211291.db2.gz MUAKMGDJNWQKID-CVEARBPZSA-N 1 1 354.878 2.475 20 10 FECDMO Cn1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000364689719 555375862 /nfs/dbraw/zinc/37/58/62/555375862.db2.gz YVQHBJLUWDSZQH-INIZCTEOSA-N 1 1 362.861 2.102 20 10 FECDMO COCCC[N@H+]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000369654296 556659640 /nfs/dbraw/zinc/65/96/40/556659640.db2.gz CNTYUZQDKJJKBP-UHFFFAOYSA-N 1 1 366.481 2.146 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2nc[nH]n2)C1 ZINC000518680399 562116378 /nfs/dbraw/zinc/11/63/78/562116378.db2.gz WLZKZAWYRCURLO-CQSZACIVSA-N 1 1 366.469 2.403 20 10 FECDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2nnc[nH]2)C1 ZINC000518680399 562116379 /nfs/dbraw/zinc/11/63/79/562116379.db2.gz WLZKZAWYRCURLO-CQSZACIVSA-N 1 1 366.469 2.403 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2nnc[nH]2)C1 ZINC000518680399 562116380 /nfs/dbraw/zinc/11/63/80/562116380.db2.gz WLZKZAWYRCURLO-CQSZACIVSA-N 1 1 366.469 2.403 20 10 FECDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCOC[C@H]1C1CC1 ZINC000372319379 557438700 /nfs/dbraw/zinc/43/87/00/557438700.db2.gz SMBZIYMGVVPVLV-MOPGFXCFSA-N 1 1 374.481 2.011 20 10 FECDMO CN(C)c1ccc(C2=CC[N@@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)cc1 ZINC000372800943 557565044 /nfs/dbraw/zinc/56/50/44/557565044.db2.gz KBVHRUMECPKKJC-HXUWFJFHSA-N 1 1 365.481 2.381 20 10 FECDMO CN(C)c1ccc(C2=CC[N@H+]([C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)cc1 ZINC000372800943 557565047 /nfs/dbraw/zinc/56/50/47/557565047.db2.gz KBVHRUMECPKKJC-HXUWFJFHSA-N 1 1 365.481 2.381 20 10 FECDMO CCn1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000815835070 674976411 /nfs/dbraw/zinc/97/64/11/674976411.db2.gz JIWBNEZMJCKRGA-AWEZNQCLSA-N 1 1 363.849 2.051 20 10 FECDMO CCn1ncc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000815835070 674976413 /nfs/dbraw/zinc/97/64/13/674976413.db2.gz JIWBNEZMJCKRGA-AWEZNQCLSA-N 1 1 363.849 2.051 20 10 FECDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000817155388 675106714 /nfs/dbraw/zinc/10/67/14/675106714.db2.gz XNLIWHXLURGAMD-SFHVURJKSA-N 1 1 362.543 2.475 20 10 FECDMO CCN(CC)C(=O)CN1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000129234779 672059233 /nfs/dbraw/zinc/05/92/33/672059233.db2.gz FMRSWTQHWCEIKQ-UHFFFAOYSA-N 1 1 353.894 2.422 20 10 FECDMO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708480142 673066055 /nfs/dbraw/zinc/06/60/55/673066055.db2.gz FMPXWHCOACNGIN-ZDUSSCGKSA-N 1 1 358.385 2.396 20 10 FECDMO Cc1cc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)ccc1N1CCCCC1 ZINC000828300759 675811674 /nfs/dbraw/zinc/81/16/74/675811674.db2.gz QQOPJVDGXOOBAK-QGZVFWFLSA-N 1 1 351.516 2.238 20 10 FECDMO Nc1ccc(Cc2nc(C(=O)NCC[NH+]3CCSCC3)cs2)cc1 ZINC000829479427 675880584 /nfs/dbraw/zinc/88/05/84/675880584.db2.gz ZMKHYFUNPINRRR-UHFFFAOYSA-N 1 1 362.524 2.095 20 10 FECDMO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000830545506 677046632 /nfs/dbraw/zinc/04/66/32/677046632.db2.gz XQPJAQWSWPRTKI-RUZDIDTESA-N 1 1 366.527 2.419 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000761229965 680715736 /nfs/dbraw/zinc/71/57/36/680715736.db2.gz WKYWUDVHEFJNPF-CYBMUJFWSA-N 1 1 368.275 2.499 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1 ZINC000761229965 680715737 /nfs/dbraw/zinc/71/57/37/680715737.db2.gz WKYWUDVHEFJNPF-CYBMUJFWSA-N 1 1 368.275 2.499 20 10 FECDMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[NH+]1CCSCC1 ZINC000840296081 680812911 /nfs/dbraw/zinc/81/29/11/680812911.db2.gz XKUNEMLNJTYSOC-INIZCTEOSA-N 1 1 364.559 2.340 20 10 FECDMO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840950896 680856236 /nfs/dbraw/zinc/85/62/36/680856236.db2.gz QDKNHLIMUOTOEP-RUZDIDTESA-N 1 1 366.527 2.337 20 10 FECDMO C[C@H](NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918932 680859408 /nfs/dbraw/zinc/85/94/08/680859408.db2.gz YOZPGLHAQRXTBU-DOTOQJQBSA-N 1 1 366.937 2.073 20 10 FECDMO C[C@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCOCC2)cc1Cl ZINC000765918932 680859410 /nfs/dbraw/zinc/85/94/10/680859410.db2.gz YOZPGLHAQRXTBU-DOTOQJQBSA-N 1 1 366.937 2.073 20 10 FECDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000754738375 680374204 /nfs/dbraw/zinc/37/42/04/680374204.db2.gz AEBNHTYBEIRZJE-AWEZNQCLSA-N 1 1 370.515 2.212 20 10 FECDMO COCC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCOC1 ZINC000787336144 682451360 /nfs/dbraw/zinc/45/13/60/682451360.db2.gz ZJWYCVSYGBIXFI-ZDUSSCGKSA-N 1 1 360.248 2.401 20 10 FECDMO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(=O)OC ZINC000790788475 682701791 /nfs/dbraw/zinc/70/17/91/682701791.db2.gz YUJAZIBLUZOXTB-CABCVRRESA-N 1 1 368.861 2.325 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CCN(C(=O)OC)CC2)c1 ZINC000797096523 683222287 /nfs/dbraw/zinc/22/22/87/683222287.db2.gz KGGFHRRVJXJGOS-GFCCVEGCSA-N 1 1 350.415 2.308 20 10 FECDMO C[C@@H](C[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)NC(=O)OC(C)(C)C ZINC000863333011 683707086 /nfs/dbraw/zinc/70/70/86/683707086.db2.gz NEUXBPYBGGSOMI-NHYWBVRUSA-N 1 1 352.431 2.163 20 10 FECDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H]4CS(=O)(=O)C[C@H]4C3)c2c1 ZINC000872797200 685016976 /nfs/dbraw/zinc/01/69/76/685016976.db2.gz XLUIBCFARKGKMP-LSDHHAIUSA-N 1 1 361.463 2.421 20 10 FECDMO CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877499291 686391661 /nfs/dbraw/zinc/39/16/61/686391661.db2.gz FAFWCPSLGDXPFB-LJQANCHMSA-N 1 1 366.527 2.047 20 10 FECDMO CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877499291 686391668 /nfs/dbraw/zinc/39/16/68/686391668.db2.gz FAFWCPSLGDXPFB-LJQANCHMSA-N 1 1 366.527 2.047 20 10 FECDMO COC(=O)[C@@H]1[C@@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1(F)F ZINC000893879795 689422561 /nfs/dbraw/zinc/42/25/61/689422561.db2.gz JKGFMNOHPDZXPP-LZWOXQAQSA-N 1 1 355.381 2.428 20 10 FECDMO CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895332500 689697845 /nfs/dbraw/zinc/69/78/45/689697845.db2.gz KOSBMXWRDYWADH-GFCCVEGCSA-N 1 1 374.254 2.482 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN3CCSC[C@H]23)c1 ZINC000903271775 690877398 /nfs/dbraw/zinc/87/73/98/690877398.db2.gz NTAQHLUBRNJNOL-APHBMKBZSA-N 1 1 350.484 2.409 20 10 FECDMO CCOCCCNC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466736 540467268 /nfs/dbraw/zinc/46/72/68/540467268.db2.gz VGBXSIPTZWUVIC-KRWDZBQOSA-N 1 1 363.502 2.139 20 10 FECDMO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000054786639 540609952 /nfs/dbraw/zinc/60/99/52/540609952.db2.gz LLMYQQDTXNJCTK-SFHVURJKSA-N 1 1 372.469 2.218 20 10 FECDMO CN(CCC[N@H+](C)Cc1ccc(Br)cc1[O-])CC[NH+](C)C ZINC000825943430 675675165 /nfs/dbraw/zinc/67/51/65/675675165.db2.gz DZMKTWNSZSUXQB-UHFFFAOYSA-N 1 1 358.324 2.470 20 10 FECDMO CN(CCC[N@@H+](C)Cc1ccc(Br)cc1[O-])CC[NH+](C)C ZINC000825943430 675675166 /nfs/dbraw/zinc/67/51/66/675675166.db2.gz DZMKTWNSZSUXQB-UHFFFAOYSA-N 1 1 358.324 2.470 20 10 FECDMO COCCc1noc(C[N@H+](C)C2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000072801495 541868132 /nfs/dbraw/zinc/86/81/32/541868132.db2.gz ILPQIKIZBWMVFJ-UHFFFAOYSA-N 1 1 360.458 2.368 20 10 FECDMO COCCc1noc(C[N@@H+](C)C2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000072801495 541868137 /nfs/dbraw/zinc/86/81/37/541868137.db2.gz ILPQIKIZBWMVFJ-UHFFFAOYSA-N 1 1 360.458 2.368 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1c1cccn1C)cc2=O ZINC000076612849 542300564 /nfs/dbraw/zinc/30/05/64/542300564.db2.gz JZYRQQWAQJQBLA-INIZCTEOSA-N 1 1 369.425 2.287 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1c1cccn1C)cc2=O ZINC000076612849 542300569 /nfs/dbraw/zinc/30/05/69/542300569.db2.gz JZYRQQWAQJQBLA-INIZCTEOSA-N 1 1 369.425 2.287 20 10 FECDMO CC(C)C[N@H+]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000077362036 542372982 /nfs/dbraw/zinc/37/29/82/542372982.db2.gz PLTTZSQKXQPZMQ-UHFFFAOYSA-N 1 1 360.546 2.375 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000079400561 542516658 /nfs/dbraw/zinc/51/66/58/542516658.db2.gz DNMVJCVJGSSLNZ-OAHLLOKOSA-N 1 1 372.462 2.028 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000079400561 542516662 /nfs/dbraw/zinc/51/66/62/542516662.db2.gz DNMVJCVJGSSLNZ-OAHLLOKOSA-N 1 1 372.462 2.028 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1O ZINC000079434358 542518522 /nfs/dbraw/zinc/51/85/22/542518522.db2.gz CRPXZJXRONWIPP-OAHLLOKOSA-N 1 1 350.434 2.278 20 10 FECDMO COc1ccc(N2CCCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000079618374 542532160 /nfs/dbraw/zinc/53/21/60/542532160.db2.gz DWCGJDLYJWTOML-KRWDZBQOSA-N 1 1 372.513 2.401 20 10 FECDMO CN(Cc1ccccc1O)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000104853140 543147199 /nfs/dbraw/zinc/14/71/99/543147199.db2.gz GPMFFMFDNVDGKF-HXUWFJFHSA-N 1 1 353.466 2.339 20 10 FECDMO C[C@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[N@@H+](C)C1CC1 ZINC000105162974 543162437 /nfs/dbraw/zinc/16/24/37/543162437.db2.gz GGMNXVXOVVRHSB-MRXNPFEDSA-N 1 1 374.529 2.177 20 10 FECDMO COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2O)cc1 ZINC000112583495 543453049 /nfs/dbraw/zinc/45/30/49/543453049.db2.gz DIEKSMIDLYXMIO-CQSZACIVSA-N 1 1 356.422 2.316 20 10 FECDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000115808137 543587543 /nfs/dbraw/zinc/58/75/43/543587543.db2.gz JWWOOXDATRJLAX-SFHVURJKSA-N 1 1 360.502 2.006 20 10 FECDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000121152716 543690379 /nfs/dbraw/zinc/69/03/79/543690379.db2.gz PAIFARKDSXDWPD-NSSMGOSVSA-N 1 1 357.498 2.335 20 10 FECDMO Oc1cc2c(cc1C[NH+]1CCN(Cc3cn4ccccc4n3)CC1)OCO2 ZINC000121905000 543700943 /nfs/dbraw/zinc/70/09/43/543700943.db2.gz BLIVGRIWQDHVSR-UHFFFAOYSA-N 1 1 366.421 2.086 20 10 FECDMO C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[NH+]1CCSCC1 ZINC000133426955 544269316 /nfs/dbraw/zinc/26/93/16/544269316.db2.gz NFPXQLKXWYVKKX-DOTOQJQBSA-N 1 1 364.511 2.337 20 10 FECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1=COCCO1 ZINC000134265846 544300882 /nfs/dbraw/zinc/30/08/82/544300882.db2.gz IMAYDQSZUROHBH-AWEZNQCLSA-N 1 1 352.818 2.014 20 10 FECDMO O=C(CCn1cccn1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000153996649 544849730 /nfs/dbraw/zinc/84/97/30/544849730.db2.gz GZNHMVMYMBCDNX-INIZCTEOSA-N 1 1 362.861 2.413 20 10 FECDMO C[C@@H](C(=O)NCc1cc(Br)ccc1O)[NH+]1CCSCC1 ZINC000804738297 674299660 /nfs/dbraw/zinc/29/96/60/674299660.db2.gz KTYGICZYYCMREQ-JTQLQIEISA-N 1 1 359.289 2.208 20 10 FECDMO COCC[N@@H+](C)CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805182061 674324484 /nfs/dbraw/zinc/32/44/84/674324484.db2.gz UBVYVCOAANLHNT-UHFFFAOYSA-N 1 1 364.273 2.467 20 10 FECDMO COCC[N@H+](C)CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805182061 674324481 /nfs/dbraw/zinc/32/44/81/674324481.db2.gz UBVYVCOAANLHNT-UHFFFAOYSA-N 1 1 364.273 2.467 20 10 FECDMO CC(C)[N@@H+]1C[C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@@H](C)C1 ZINC000155771492 545567993 /nfs/dbraw/zinc/56/79/93/545567993.db2.gz UNGYCYURNAFWAC-NSSMGOSVSA-N 1 1 357.498 2.381 20 10 FECDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000156844016 545669408 /nfs/dbraw/zinc/66/94/08/545669408.db2.gz VVJBEAMKLUQYAG-UHFFFAOYSA-N 1 1 368.529 2.317 20 10 FECDMO Cc1nc(C2CC[NH+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000156878717 545672349 /nfs/dbraw/zinc/67/23/49/545672349.db2.gz CGXXAGUZHNQIQV-UHFFFAOYSA-N 1 1 371.485 2.282 20 10 FECDMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1ccc(O)c(O)c1 ZINC000158958770 545909166 /nfs/dbraw/zinc/90/91/66/545909166.db2.gz PAVTWUKLAMXATN-QGZVFWFLSA-N 1 1 356.422 2.005 20 10 FECDMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1ccc(O)c(O)c1 ZINC000158958770 545909172 /nfs/dbraw/zinc/90/91/72/545909172.db2.gz PAVTWUKLAMXATN-QGZVFWFLSA-N 1 1 356.422 2.005 20 10 FECDMO COc1cc(O)c(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1OC ZINC000159954525 545995275 /nfs/dbraw/zinc/99/52/75/545995275.db2.gz AKSAZGYUSOYLJT-MRXNPFEDSA-N 1 1 356.422 2.473 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1OC ZINC000159954525 545995278 /nfs/dbraw/zinc/99/52/78/545995278.db2.gz AKSAZGYUSOYLJT-MRXNPFEDSA-N 1 1 356.422 2.473 20 10 FECDMO COc1ccc(O)c(CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000173580044 546283598 /nfs/dbraw/zinc/28/35/98/546283598.db2.gz XOZFXAPKELBGEZ-IBGZPJMESA-N 1 1 370.449 2.308 20 10 FECDMO COc1ccc(O)c(CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000173580044 546283599 /nfs/dbraw/zinc/28/35/99/546283599.db2.gz XOZFXAPKELBGEZ-IBGZPJMESA-N 1 1 370.449 2.308 20 10 FECDMO CCC[N@@H+](CC)CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000175781049 546349746 /nfs/dbraw/zinc/34/97/46/546349746.db2.gz TWVVKCHNPUIHAH-UHFFFAOYSA-N 1 1 362.518 2.397 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1OC ZINC000180727831 547168261 /nfs/dbraw/zinc/16/82/61/547168261.db2.gz VSFXBVPPKJFIKL-FZKQIMNGSA-N 1 1 361.442 2.089 20 10 FECDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cccc(O)c3O)CC2)C[C@H](C)O1 ZINC000187170033 548252151 /nfs/dbraw/zinc/25/21/51/548252151.db2.gz NTHCZTMJSNLLTP-GASCZTMLSA-N 1 1 362.470 2.449 20 10 FECDMO CC(C)[N@H+]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000264547070 549997863 /nfs/dbraw/zinc/99/78/63/549997863.db2.gz KCSWQLPQAYMSSS-RMKNXTFCSA-N 1 1 357.498 2.479 20 10 FECDMO COc1ccc(-n2c(C)cc(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)c2C)cc1 ZINC000264704612 550000353 /nfs/dbraw/zinc/00/03/53/550000353.db2.gz DOFSSIZQEUMDSD-SFHVURJKSA-N 1 1 370.497 2.078 20 10 FECDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000266431667 550020297 /nfs/dbraw/zinc/02/02/97/550020297.db2.gz SKGUJCZPZOJELX-AIADIJKESA-N 1 1 357.498 2.337 20 10 FECDMO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278104143 550749441 /nfs/dbraw/zinc/74/94/41/550749441.db2.gz AIXQVCOHESUNQN-ORPWPGRKSA-N 1 1 356.444 2.478 20 10 FECDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278166059 550756360 /nfs/dbraw/zinc/75/63/60/550756360.db2.gz FFBXJALPOKXCNA-MRXNPFEDSA-N 1 1 362.382 2.483 20 10 FECDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000278272236 550767454 /nfs/dbraw/zinc/76/74/54/550767454.db2.gz RUHSQYVFPPWIOA-GJZGRUSLSA-N 1 1 366.414 2.061 20 10 FECDMO COc1c(O)c(C[NH2+]C2CCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278558025 550798948 /nfs/dbraw/zinc/79/89/48/550798948.db2.gz AVIQYNLDZWYZGU-UHFFFAOYSA-N 1 1 363.336 2.425 20 10 FECDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H](C(N)=O)O1 ZINC000294998158 552950124 /nfs/dbraw/zinc/95/01/24/552950124.db2.gz YOHSFUJPPPDYPG-RDTXWAMCSA-N 1 1 359.495 2.459 20 10 FECDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@H](C(N)=O)O1 ZINC000294998158 552950125 /nfs/dbraw/zinc/95/01/25/552950125.db2.gz YOHSFUJPPPDYPG-RDTXWAMCSA-N 1 1 359.495 2.459 20 10 FECDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000295139978 552962803 /nfs/dbraw/zinc/96/28/03/552962803.db2.gz ZKTXXHYXQDUCLI-HNNXBMFYSA-N 1 1 358.232 2.166 20 10 FECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC[N@@H+](C)CCOC ZINC000298682819 553458388 /nfs/dbraw/zinc/45/83/88/553458388.db2.gz LPFZFYHFKCUFMU-UHFFFAOYSA-N 1 1 350.507 2.252 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccccn3)CC2)cc1 ZINC000299518853 553574683 /nfs/dbraw/zinc/57/46/83/553574683.db2.gz XLTQPJBEKRFMDR-UHFFFAOYSA-N 1 1 355.442 2.034 20 10 FECDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)NCc1ccccc1O ZINC000299561667 553581411 /nfs/dbraw/zinc/58/14/11/553581411.db2.gz ZVBITGLVTIIDEB-UHFFFAOYSA-N 1 1 355.438 2.224 20 10 FECDMO O=C1COc2cc([N+](=O)[O-])c(N3CCC[N@H+](C4CCCC4)CC3)cc2N1 ZINC000361814959 554936246 /nfs/dbraw/zinc/93/62/46/554936246.db2.gz PFCZMNHREPQKBS-UHFFFAOYSA-N 1 1 360.414 2.380 20 10 FECDMO O=C1[C@@H]([N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CCN1C1CCOCC1 ZINC000363473059 555114101 /nfs/dbraw/zinc/11/41/01/555114101.db2.gz XTWLQQCXANBEQQ-OALUTQOASA-N 1 1 374.481 2.153 20 10 FECDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1([NH+](C)C)CCOc2ccccc21 ZINC000364679615 555372615 /nfs/dbraw/zinc/37/26/15/555372615.db2.gz UPZKONGYJIHIED-QKKBWIMNSA-N 1 1 370.449 2.385 20 10 FECDMO O=C1[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCN2C(=O)N1c1ccccc1 ZINC000367818399 556146886 /nfs/dbraw/zinc/14/68/86/556146886.db2.gz HOZGFVAHKWGTIJ-INIZCTEOSA-N 1 1 355.369 2.184 20 10 FECDMO O=C(N[C@@H]1CCc2nc[nH]c2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000367861142 556157692 /nfs/dbraw/zinc/15/76/92/556157692.db2.gz YBIHYYIUFMWPTB-HZPDHXFCSA-N 1 1 370.453 2.363 20 10 FECDMO CCOc1cccc(C[N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c1O ZINC000372037131 557363162 /nfs/dbraw/zinc/36/31/62/557363162.db2.gz KMEPXGJOHOYEKW-AWEZNQCLSA-N 1 1 360.414 2.006 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2nc[nH]n2)C1 ZINC000518680398 562116278 /nfs/dbraw/zinc/11/62/78/562116278.db2.gz WLZKZAWYRCURLO-AWEZNQCLSA-N 1 1 366.469 2.403 20 10 FECDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2nnc[nH]2)C1 ZINC000518680398 562116279 /nfs/dbraw/zinc/11/62/79/562116279.db2.gz WLZKZAWYRCURLO-AWEZNQCLSA-N 1 1 366.469 2.403 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2nnc[nH]2)C1 ZINC000518680398 562116280 /nfs/dbraw/zinc/11/62/80/562116280.db2.gz WLZKZAWYRCURLO-AWEZNQCLSA-N 1 1 366.469 2.403 20 10 FECDMO O=C(c1cnccn1)N1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000375451523 558029708 /nfs/dbraw/zinc/02/97/08/558029708.db2.gz VFKYKKBQMOXVES-UHFFFAOYSA-N 1 1 364.808 2.369 20 10 FECDMO CC[C@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CC[N@H+]1C[C@@H](C)O ZINC000472219563 561021292 /nfs/dbraw/zinc/02/12/92/561021292.db2.gz GWBPMLUOSREULB-WBVHZDCISA-N 1 1 372.513 2.473 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000472283833 561022942 /nfs/dbraw/zinc/02/29/42/561022942.db2.gz GDVWZYJOFPCNII-QRWLVFNGSA-N 1 1 370.497 2.349 20 10 FECDMO C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccccc1O ZINC000735558850 598617514 /nfs/dbraw/zinc/61/75/14/598617514.db2.gz GNEQWMYQBUNJQF-GFCCVEGCSA-N 1 1 352.398 2.031 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000809777653 674509279 /nfs/dbraw/zinc/50/92/79/674509279.db2.gz DDQXAFIYMLMQHP-CYBMUJFWSA-N 1 1 351.403 2.047 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@H](CCNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000809777653 674509280 /nfs/dbraw/zinc/50/92/80/674509280.db2.gz DDQXAFIYMLMQHP-CYBMUJFWSA-N 1 1 351.403 2.047 20 10 FECDMO CCOc1cccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809783858 674509943 /nfs/dbraw/zinc/50/99/43/674509943.db2.gz FUFYXBYAZVLHBP-AWEZNQCLSA-N 1 1 368.499 2.085 20 10 FECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000815116258 674920804 /nfs/dbraw/zinc/92/08/04/674920804.db2.gz GQVFHDDJMBWLIS-KRWDZBQOSA-N 1 1 353.532 2.246 20 10 FECDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(Cl)ccc2O)C1 ZINC000092964615 670746865 /nfs/dbraw/zinc/74/68/65/670746865.db2.gz GYAYXPTZQKWUQN-CYBMUJFWSA-N 1 1 368.861 2.279 20 10 FECDMO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc(Cl)ccc2O)C1 ZINC000092964615 670746867 /nfs/dbraw/zinc/74/68/67/670746867.db2.gz GYAYXPTZQKWUQN-CYBMUJFWSA-N 1 1 368.861 2.279 20 10 FECDMO CN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000111232971 670855976 /nfs/dbraw/zinc/85/59/76/670855976.db2.gz AACKHFDTCXAUTL-CQSZACIVSA-N 1 1 360.376 2.394 20 10 FECDMO C[N@@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1ccccc1O ZINC000111235552 670856323 /nfs/dbraw/zinc/85/63/23/670856323.db2.gz MXPMUMHYPMLAQD-UHFFFAOYSA-N 1 1 359.495 2.230 20 10 FECDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCSc1nccs1 ZINC000189319563 672613439 /nfs/dbraw/zinc/61/34/39/672613439.db2.gz QFUMGEPVKGJBND-CYBMUJFWSA-N 1 1 372.560 2.112 20 10 FECDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000824451147 675603798 /nfs/dbraw/zinc/60/37/98/675603798.db2.gz JZKWMRRPOFPVCU-LLVKDONJSA-N 1 1 355.232 2.429 20 10 FECDMO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(Br)cc1O ZINC000824876585 675626423 /nfs/dbraw/zinc/62/64/23/675626423.db2.gz BHXZFDHSNSOCKO-UHFFFAOYSA-N 1 1 350.278 2.410 20 10 FECDMO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(Br)cc1O ZINC000824876585 675626425 /nfs/dbraw/zinc/62/64/25/675626425.db2.gz BHXZFDHSNSOCKO-UHFFFAOYSA-N 1 1 350.278 2.410 20 10 FECDMO OCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCSCC1 ZINC000825129816 675637968 /nfs/dbraw/zinc/63/79/68/675637968.db2.gz FXLDMMXZFBOAJC-UHFFFAOYSA-N 1 1 354.491 2.352 20 10 FECDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000826130031 675682974 /nfs/dbraw/zinc/68/29/74/675682974.db2.gz CVXUAHVAUNYYHU-NSHDSACASA-N 1 1 360.273 2.493 20 10 FECDMO COc1cc(Br)cc(CN2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC000827119214 675730911 /nfs/dbraw/zinc/73/09/11/675730911.db2.gz JAVGJBCOGPXUDP-AWEZNQCLSA-N 1 1 371.275 2.070 20 10 FECDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000827545281 675764058 /nfs/dbraw/zinc/76/40/58/675764058.db2.gz YUYKGTSGPUIEGG-ZDUSSCGKSA-N 1 1 356.264 2.342 20 10 FECDMO Oc1ccc(Br)cc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000827699586 675773627 /nfs/dbraw/zinc/77/36/27/675773627.db2.gz JIYVMUCXGYKIPN-HNNXBMFYSA-N 1 1 355.276 2.186 20 10 FECDMO Cc1[nH+]ccn1CCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761019987 680707862 /nfs/dbraw/zinc/70/78/62/680707862.db2.gz DCMMJTBMGHYSGB-UHFFFAOYSA-N 1 1 362.817 2.405 20 10 FECDMO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000761123402 680711805 /nfs/dbraw/zinc/71/18/05/680711805.db2.gz ILEYGKQZBAEPMS-HUUCEWRRSA-N 1 1 363.845 2.437 20 10 FECDMO COc1cc(N2CC[NH+](Cc3cnc(N)s3)CC2)cc(OC)c1OC ZINC000761218344 680715455 /nfs/dbraw/zinc/71/54/55/680715455.db2.gz BKECNFOPYDMOIJ-UHFFFAOYSA-N 1 1 364.471 2.073 20 10 FECDMO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)nn1 ZINC000762793068 680761710 /nfs/dbraw/zinc/76/17/10/680761710.db2.gz CJGYWIIFJUETRR-NSHDSACASA-N 1 1 350.806 2.261 20 10 FECDMO CC[C@@H](C)NC(=S)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000749769133 680073675 /nfs/dbraw/zinc/07/36/75/680073675.db2.gz PFMCBBSLIVHWRE-OAHLLOKOSA-N 1 1 350.532 2.080 20 10 FECDMO C[C@]1(F)C[NH2+]CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000841706193 680908200 /nfs/dbraw/zinc/90/82/00/680908200.db2.gz CVPDBDPDHBUOHA-SFHVURJKSA-N 1 1 366.506 2.083 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)cc1F ZINC000769534536 680986166 /nfs/dbraw/zinc/98/61/66/680986166.db2.gz VQPDRPPRGWVCCY-HNNXBMFYSA-N 1 1 357.495 2.186 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2CS(=O)(=O)NC)cc1F ZINC000769534536 680986167 /nfs/dbraw/zinc/98/61/67/680986167.db2.gz VQPDRPPRGWVCCY-HNNXBMFYSA-N 1 1 357.495 2.186 20 10 FECDMO CNC(=O)CCOC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000770287696 681011892 /nfs/dbraw/zinc/01/18/92/681011892.db2.gz ZNULEXCONOMJSU-UHFFFAOYSA-N 1 1 371.275 2.272 20 10 FECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cc[n+]([O-])cc1 ZINC000771060979 681039872 /nfs/dbraw/zinc/03/98/72/681039872.db2.gz ZRQHQJXDDXZSHQ-INIZCTEOSA-N 1 1 361.829 2.073 20 10 FECDMO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000845060314 681100804 /nfs/dbraw/zinc/10/08/04/681100804.db2.gz GDMTYVBHAXFKGZ-JKSUJKDBSA-N 1 1 367.877 2.488 20 10 FECDMO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2cc(Cl)ccc2O)CCCO1 ZINC000845154431 681107635 /nfs/dbraw/zinc/10/76/35/681107635.db2.gz XSCPBCRUZXPGFE-CYBMUJFWSA-N 1 1 355.866 2.346 20 10 FECDMO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849271485 681674673 /nfs/dbraw/zinc/67/46/73/681674673.db2.gz LEWTWCSZWDNSPB-RDJZCZTQSA-N 1 1 362.543 2.222 20 10 FECDMO CC(=O)c1cc(Cl)cc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1O ZINC000852708443 682323821 /nfs/dbraw/zinc/32/38/21/682323821.db2.gz BLNMRCWWKLSZFV-INIZCTEOSA-N 1 1 352.862 2.279 20 10 FECDMO CC[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(F)cc1O ZINC000858466421 682970936 /nfs/dbraw/zinc/97/09/36/682970936.db2.gz BCCYOMJVUBFKGR-APWZRJJASA-N 1 1 352.450 2.188 20 10 FECDMO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cc2)CC1 ZINC000862278283 683563929 /nfs/dbraw/zinc/56/39/29/683563929.db2.gz BIKRGIOTNXUWPA-UHFFFAOYSA-N 1 1 361.467 2.077 20 10 FECDMO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862391933 683582905 /nfs/dbraw/zinc/58/29/05/683582905.db2.gz XICNULGCTCHNHK-NSHDSACASA-N 1 1 356.264 2.390 20 10 FECDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862391933 683582909 /nfs/dbraw/zinc/58/29/09/683582909.db2.gz XICNULGCTCHNHK-NSHDSACASA-N 1 1 356.264 2.390 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2C[C@@H](O)C23CCOCC3)c1 ZINC000923017574 683820056 /nfs/dbraw/zinc/82/00/56/683820056.db2.gz BWOSFGUJYBOLEP-UONOGXRCSA-N 1 1 356.260 2.483 20 10 FECDMO Oc1ccc(Br)cc1C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877520890 686400212 /nfs/dbraw/zinc/40/02/12/686400212.db2.gz JXJFYEFWWHAUQA-AWEZNQCLSA-N 1 1 367.247 2.215 20 10 FECDMO COc1ccc(N2CC[NH+](CCOC3CCOCC3)CC2)c(OC)c1 ZINC000879462724 686827678 /nfs/dbraw/zinc/82/76/78/686827678.db2.gz VKCJXHNNNGXJBZ-UHFFFAOYSA-N 1 1 350.459 2.021 20 10 FECDMO COC(=O)[C@@H]1[C@H](C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000893910908 689427341 /nfs/dbraw/zinc/42/73/41/689427341.db2.gz QDAGRRJTPATOMD-HOTGVXAUSA-N 1 1 354.397 2.009 20 10 FECDMO COc1cc(C)cc(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000894873991 689612325 /nfs/dbraw/zinc/61/23/25/689612325.db2.gz LCXXRXZCQKAREM-AWEZNQCLSA-N 1 1 354.447 2.027 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1O ZINC000897624083 690051737 /nfs/dbraw/zinc/05/17/37/690051737.db2.gz SHNGSDOIPHEYMR-ZBEGNZNMSA-N 1 1 369.259 2.251 20 10 FECDMO C[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C(=O)NCCF ZINC000800498325 674057505 /nfs/dbraw/zinc/05/75/05/674057505.db2.gz HITHUPMZILYOIM-YUMQZZPRSA-N 1 1 351.191 2.419 20 10 FECDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801508334 674132493 /nfs/dbraw/zinc/13/24/93/674132493.db2.gz OHZAEXDQUZOSJB-GOSISDBHSA-N 1 1 365.543 2.390 20 10 FECDMO CN(Cc1ccccc1O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000080493427 542592030 /nfs/dbraw/zinc/59/20/30/542592030.db2.gz LDNZYDFVHBDAPC-UHFFFAOYSA-N 1 1 374.529 2.484 20 10 FECDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081765554 542676421 /nfs/dbraw/zinc/67/64/21/542676421.db2.gz SCJILXMLBMUXOX-PZJWPPBQSA-N 1 1 371.525 2.386 20 10 FECDMO Cc1cc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1ccccn1 ZINC000105321063 543170907 /nfs/dbraw/zinc/17/09/07/543170907.db2.gz WLZRSCNDFFCWTL-MRXNPFEDSA-N 1 1 369.513 2.102 20 10 FECDMO C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000124585771 543831272 /nfs/dbraw/zinc/83/12/72/543831272.db2.gz LOZMJZCDJZSVCA-JWLNDWNSSA-N 1 1 357.498 2.478 20 10 FECDMO Cc1nn(C)cc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158089884 545820490 /nfs/dbraw/zinc/82/04/90/545820490.db2.gz UVXRICHFEUXYCN-HNNXBMFYSA-N 1 1 362.861 2.482 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1OC ZINC000180070758 547047827 /nfs/dbraw/zinc/04/78/27/547047827.db2.gz VBMNGOPJGSURRH-ZDUSSCGKSA-N 1 1 358.442 2.327 20 10 FECDMO CCC(CC)[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[NH+]1CCOCC1 ZINC000183431356 547658306 /nfs/dbraw/zinc/65/83/06/547658306.db2.gz JRYZSODLUJOAKW-LIRRHRJNSA-N 1 1 364.486 2.282 20 10 FECDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190313640 548322768 /nfs/dbraw/zinc/32/27/68/548322768.db2.gz MKZRMQJMNSBUBJ-OAQYLSRUSA-N 1 1 370.449 2.190 20 10 FECDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271177825 550348695 /nfs/dbraw/zinc/34/86/95/550348695.db2.gz LAXWLEJRBHRWCU-QGZVFWFLSA-N 1 1 351.516 2.177 20 10 FECDMO CCOC(=O)N1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273420070 550497955 /nfs/dbraw/zinc/49/79/55/550497955.db2.gz RWQSZKOMMVAGKQ-LBPRGKRZSA-N 1 1 350.415 2.450 20 10 FECDMO Cc1[nH+]ccn1CCNC(=O)NCc1cccc(Br)c1O ZINC000277640239 550695554 /nfs/dbraw/zinc/69/55/54/550695554.db2.gz XSRQVEJQJHEKOP-UHFFFAOYSA-N 1 1 353.220 2.159 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H](OCCOC)C[C@H](CO)C2)cc1 ZINC000278748129 550818027 /nfs/dbraw/zinc/81/80/27/550818027.db2.gz RWCBKLOZIXHUGZ-AZUAARDMSA-N 1 1 350.503 2.379 20 10 FECDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000278766319 550819915 /nfs/dbraw/zinc/81/99/15/550819915.db2.gz UFSQSWCRMVYCLC-WFASDCNBSA-N 1 1 374.275 2.001 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(N)ccc3C)CC2)cc1 ZINC000279894400 550940507 /nfs/dbraw/zinc/94/05/07/550940507.db2.gz INCMNEFPWOIIQZ-UHFFFAOYSA-N 1 1 368.481 2.138 20 10 FECDMO CCCC[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccccc1O ZINC000282550887 551245433 /nfs/dbraw/zinc/24/54/33/551245433.db2.gz XFLPTFDVPCIPSO-UHFFFAOYSA-N 1 1 362.470 2.360 20 10 FECDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000285203807 551720012 /nfs/dbraw/zinc/72/00/12/551720012.db2.gz WNCWFEJKQLMEMJ-HNNXBMFYSA-N 1 1 363.332 2.337 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000287677094 552033035 /nfs/dbraw/zinc/03/30/35/552033035.db2.gz HXWVGQPATCQSBX-HXUWFJFHSA-N 1 1 368.481 2.055 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000287677094 552033036 /nfs/dbraw/zinc/03/30/36/552033036.db2.gz HXWVGQPATCQSBX-HXUWFJFHSA-N 1 1 368.481 2.055 20 10 FECDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000289383460 552312101 /nfs/dbraw/zinc/31/21/01/552312101.db2.gz MRXHUGQENLPCAU-ZDUSSCGKSA-N 1 1 367.402 2.410 20 10 FECDMO COc1ccc(N2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CC2)cc1 ZINC000289710548 552365860 /nfs/dbraw/zinc/36/58/60/552365860.db2.gz GEUFWJUJLFUSGQ-MRXNPFEDSA-N 1 1 354.454 2.111 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1)cc2=O ZINC000289859967 552390151 /nfs/dbraw/zinc/39/01/51/552390151.db2.gz QRHGRLBDHHPQIG-GOEBONIOSA-N 1 1 374.441 2.001 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1)cc2=O ZINC000289859967 552390153 /nfs/dbraw/zinc/39/01/53/552390153.db2.gz QRHGRLBDHHPQIG-GOEBONIOSA-N 1 1 374.441 2.001 20 10 FECDMO Oc1ccccc1C[N@@H+](C[C@@H](O)COCC(F)(F)F)C[C@@H]1CCCO1 ZINC000293013105 552780410 /nfs/dbraw/zinc/78/04/10/552780410.db2.gz UPMXMQBXOURLDM-CABCVRRESA-N 1 1 363.376 2.313 20 10 FECDMO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000293584916 552837911 /nfs/dbraw/zinc/83/79/11/552837911.db2.gz KAHFGLMVYNDHRJ-XHDPSFHLSA-N 1 1 363.838 2.011 20 10 FECDMO Cn1ccc(N2CCC[C@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2=O)n1 ZINC000293686511 552847192 /nfs/dbraw/zinc/84/71/92/552847192.db2.gz RWLIKLHSPZLLSY-ZDUSSCGKSA-N 1 1 352.797 2.203 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000295058091 552954885 /nfs/dbraw/zinc/95/48/85/552954885.db2.gz GGLCWORJDMMEGJ-AWEZNQCLSA-N 1 1 350.346 2.141 20 10 FECDMO CC(=O)c1cc(Cl)cc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000364231775 555274906 /nfs/dbraw/zinc/27/49/06/555274906.db2.gz QPZQYPQSCSQJPZ-QGZVFWFLSA-N 1 1 365.905 2.460 20 10 FECDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1([NH+](C)C)CCOc2ccccc21 ZINC000364679617 555372720 /nfs/dbraw/zinc/37/27/20/555372720.db2.gz UPZKONGYJIHIED-SZNDQCEHSA-N 1 1 370.449 2.385 20 10 FECDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1([NH+](C)C)CCOc2ccccc21 ZINC000364679616 555372787 /nfs/dbraw/zinc/37/27/87/555372787.db2.gz UPZKONGYJIHIED-SPLOXXLWSA-N 1 1 370.449 2.385 20 10 FECDMO Cc1nnc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)o1 ZINC000365990891 555719846 /nfs/dbraw/zinc/71/98/46/555719846.db2.gz BRMFAIUDMRRNKA-CQSZACIVSA-N 1 1 364.833 2.060 20 10 FECDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1F ZINC000367078847 556001243 /nfs/dbraw/zinc/00/12/43/556001243.db2.gz SFNGCSRDYRWKMR-LJQANCHMSA-N 1 1 363.477 2.399 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1F ZINC000367078847 556001247 /nfs/dbraw/zinc/00/12/47/556001247.db2.gz SFNGCSRDYRWKMR-LJQANCHMSA-N 1 1 363.477 2.399 20 10 FECDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)c1 ZINC000368052287 556204929 /nfs/dbraw/zinc/20/49/29/556204929.db2.gz VCGVSSDOEYVKOF-KBXCAEBGSA-N 1 1 362.470 2.469 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000368972680 556464163 /nfs/dbraw/zinc/46/41/63/556464163.db2.gz HHFNGFVFLXDFEA-WFBYXXMGSA-N 1 1 369.259 2.249 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000368972680 556464166 /nfs/dbraw/zinc/46/41/66/556464166.db2.gz HHFNGFVFLXDFEA-WFBYXXMGSA-N 1 1 369.259 2.249 20 10 FECDMO O=C(c1ccco1)N1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000371420925 557181252 /nfs/dbraw/zinc/18/12/52/557181252.db2.gz JANAOOPESVBSBG-UHFFFAOYSA-N 1 1 369.465 2.464 20 10 FECDMO COC(=O)C1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000372088766 557377333 /nfs/dbraw/zinc/37/73/33/557377333.db2.gz PHLFOULYDQGDMT-AWEZNQCLSA-N 1 1 366.845 2.079 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1OC ZINC000375407038 558022184 /nfs/dbraw/zinc/02/21/84/558022184.db2.gz VUVZHCALPPMZOJ-KHYOSLBOSA-N 1 1 351.443 2.161 20 10 FECDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000377617408 558378257 /nfs/dbraw/zinc/37/82/57/558378257.db2.gz VTZKFVQWOYCNDO-MJGOQNOKSA-N 1 1 362.470 2.009 20 10 FECDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000377617408 558378260 /nfs/dbraw/zinc/37/82/60/558378260.db2.gz VTZKFVQWOYCNDO-MJGOQNOKSA-N 1 1 362.470 2.009 20 10 FECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000377886037 558441997 /nfs/dbraw/zinc/44/19/97/558441997.db2.gz XUEBCOXCISWZKS-GOSISDBHSA-N 1 1 354.454 2.256 20 10 FECDMO COCCCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378446846 558559552 /nfs/dbraw/zinc/55/95/52/558559552.db2.gz DBOZORMGVSMHEK-MRXNPFEDSA-N 1 1 370.877 2.179 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1C ZINC000808225891 674447807 /nfs/dbraw/zinc/44/78/07/674447807.db2.gz AVKDNCDIRVTUNL-OAHLLOKOSA-N 1 1 352.500 2.303 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000809688898 674505313 /nfs/dbraw/zinc/50/53/13/674505313.db2.gz REOVWVFXXQPEJZ-GOSISDBHSA-N 1 1 353.532 2.389 20 10 FECDMO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826217351 608850599 /nfs/dbraw/zinc/85/05/99/608850599.db2.gz ISXYSXYDEAPGCB-GOSISDBHSA-N 1 1 367.409 2.154 20 10 FECDMO COc1cccc(O)c1C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826217351 608850600 /nfs/dbraw/zinc/85/06/00/608850600.db2.gz ISXYSXYDEAPGCB-GOSISDBHSA-N 1 1 367.409 2.154 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)c1O ZINC000131050135 672083816 /nfs/dbraw/zinc/08/38/16/672083816.db2.gz RJTDKETZMLPVER-UGZDLDLSSA-N 1 1 350.278 2.362 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](OCCO)C2)c1O ZINC000179571412 672403378 /nfs/dbraw/zinc/40/33/78/672403378.db2.gz ANHKZMQJRXCGAQ-ZDUSSCGKSA-N 1 1 360.248 2.137 20 10 FECDMO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(Br)c(F)cc1O ZINC000795845479 683097461 /nfs/dbraw/zinc/09/74/61/683097461.db2.gz QCQSDIUNBLWWOQ-ZCFIWIBFSA-N 1 1 355.154 2.326 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)C(F)(F)F)CC2)cc1 ZINC000742591226 673731600 /nfs/dbraw/zinc/73/16/00/673731600.db2.gz XBVWQWGSWRTWCZ-ZDUSSCGKSA-N 1 1 359.392 2.132 20 10 FECDMO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066098 675410989 /nfs/dbraw/zinc/41/09/89/675410989.db2.gz VHNMEVPZJMPWNO-WMLDXEAASA-N 1 1 365.905 2.468 20 10 FECDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066098 675410992 /nfs/dbraw/zinc/41/09/92/675410992.db2.gz VHNMEVPZJMPWNO-WMLDXEAASA-N 1 1 365.905 2.468 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c1O ZINC000825130487 675638318 /nfs/dbraw/zinc/63/83/18/675638318.db2.gz YWBYGDXRJCEXIK-MFKMUULPSA-N 1 1 360.248 2.135 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1O ZINC000826994939 675722003 /nfs/dbraw/zinc/72/20/03/675722003.db2.gz PDRNPZGHVUJABB-LBPRGKRZSA-N 1 1 371.231 2.190 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c1O ZINC000826994939 675722006 /nfs/dbraw/zinc/72/20/06/675722006.db2.gz PDRNPZGHVUJABB-LBPRGKRZSA-N 1 1 371.231 2.190 20 10 FECDMO CC1(O)CC(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000827096591 675728718 /nfs/dbraw/zinc/72/87/18/675728718.db2.gz XTDNJHUMVWHOJX-NSWWBONSSA-N 1 1 352.862 2.287 20 10 FECDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000827545280 675763978 /nfs/dbraw/zinc/76/39/78/675763978.db2.gz YUYKGTSGPUIEGG-CYBMUJFWSA-N 1 1 356.264 2.342 20 10 FECDMO Cc1cc(Br)c(O)c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000827700216 675773576 /nfs/dbraw/zinc/77/35/76/675773576.db2.gz QBTGMSJZDNZVRG-OAHLLOKOSA-N 1 1 369.303 2.494 20 10 FECDMO Cc1cn(C)nc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000839708150 680773534 /nfs/dbraw/zinc/77/35/34/680773534.db2.gz KLGFUXUZWFCFAO-HNNXBMFYSA-N 1 1 362.861 2.482 20 10 FECDMO O=C(NCc1cccc(Br)c1O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000764788708 680821069 /nfs/dbraw/zinc/82/10/69/680821069.db2.gz BOFPAGCNJKSYIC-NSHDSACASA-N 1 1 354.248 2.191 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c(Cl)c1 ZINC000840946638 680855758 /nfs/dbraw/zinc/85/57/58/680855758.db2.gz DASVZFGMALVSSD-PIGZYNQJSA-N 1 1 351.834 2.307 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000840964733 680857655 /nfs/dbraw/zinc/85/76/55/680857655.db2.gz ZVUKVMOPQRUHKR-ZDUSSCGKSA-N 1 1 350.346 2.314 20 10 FECDMO [O-]c1c(Br)cccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841086954 680862689 /nfs/dbraw/zinc/86/26/89/680862689.db2.gz FWPNLRKGDWIXGP-UHFFFAOYSA-N 1 1 368.319 2.461 20 10 FECDMO C[NH+]1CCN([C@@H](CNC(=O)Nc2ccc(N)cc2)c2cccs2)CC1 ZINC000841302541 680872894 /nfs/dbraw/zinc/87/28/94/680872894.db2.gz ZFLKQCPUVWNPDS-INIZCTEOSA-N 1 1 359.499 2.441 20 10 FECDMO O=C(NCCCSc1nccs1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000841858087 680915046 /nfs/dbraw/zinc/91/50/46/680915046.db2.gz SVBISOGASDBAEB-CQSZACIVSA-N 1 1 363.512 2.376 20 10 FECDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768441350 680947102 /nfs/dbraw/zinc/94/71/02/680947102.db2.gz YOEYSUBLAIFAKV-LSDHHAIUSA-N 1 1 350.459 2.072 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1[O-] ZINC000842477879 680949134 /nfs/dbraw/zinc/94/91/34/680949134.db2.gz BYISGEFYNITDQT-FUHWJXTLSA-N 1 1 350.434 2.452 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1O ZINC000842477879 680949137 /nfs/dbraw/zinc/94/91/37/680949137.db2.gz BYISGEFYNITDQT-FUHWJXTLSA-N 1 1 350.434 2.452 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1[O-] ZINC000842477887 680949314 /nfs/dbraw/zinc/94/93/14/680949314.db2.gz BYISGEFYNITDQT-WMZOPIPTSA-N 1 1 350.434 2.452 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1O ZINC000842477887 680949315 /nfs/dbraw/zinc/94/93/15/680949315.db2.gz BYISGEFYNITDQT-WMZOPIPTSA-N 1 1 350.434 2.452 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1F ZINC000769384810 680980365 /nfs/dbraw/zinc/98/03/65/680980365.db2.gz PGFMCJQLUAGTRT-HNNXBMFYSA-N 1 1 357.495 2.172 20 10 FECDMO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(C)cc(Br)c1O ZINC000776812543 681438218 /nfs/dbraw/zinc/43/82/18/681438218.db2.gz KAQXQSMHCNWGKK-LSDHHAIUSA-N 1 1 374.275 2.373 20 10 FECDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSc2ncc(Cl)s2)C1 ZINC000849998207 681837290 /nfs/dbraw/zinc/83/72/90/681837290.db2.gz LEYAHJBHIANBBG-NSHDSACASA-N 1 1 363.936 2.362 20 10 FECDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1C ZINC000853530167 682428552 /nfs/dbraw/zinc/42/85/52/682428552.db2.gz BZWFMIJGZXJESJ-JSGCOSHPSA-N 1 1 351.390 2.416 20 10 FECDMO Cc1cc(O)c(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1C ZINC000853530167 682428555 /nfs/dbraw/zinc/42/85/55/682428555.db2.gz BZWFMIJGZXJESJ-JSGCOSHPSA-N 1 1 351.390 2.416 20 10 FECDMO COc1ccc2ccc(O)c(C[N@H+]3CCN(S(C)(=O)=O)[C@H](C)C3)c2c1 ZINC000853564280 682434931 /nfs/dbraw/zinc/43/49/31/682434931.db2.gz MANSHXAPGSXULJ-CYBMUJFWSA-N 1 1 364.467 2.020 20 10 FECDMO CN(C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1)S(C)(=O)=O ZINC000795657901 683078068 /nfs/dbraw/zinc/07/80/68/683078068.db2.gz ZGURMSBLNSLJLK-HNNXBMFYSA-N 1 1 366.527 2.374 20 10 FECDMO CCO[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C[NH+](C)C ZINC000926842664 683179393 /nfs/dbraw/zinc/17/93/93/683179393.db2.gz CGTMDQRWVFAOFV-LBPRGKRZSA-N 1 1 364.273 2.465 20 10 FECDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c(O)cccc1Br ZINC000862364645 683577225 /nfs/dbraw/zinc/57/72/25/683577225.db2.gz FSNFHMAKJASFQC-QWHCGFSZSA-N 1 1 355.276 2.450 20 10 FECDMO Oc1cccc(Br)c1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000862418308 683588348 /nfs/dbraw/zinc/58/83/48/683588348.db2.gz MQKZULLGCBSWLP-ZDUSSCGKSA-N 1 1 355.276 2.186 20 10 FECDMO CN(C)Cc1csc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000922486330 683733237 /nfs/dbraw/zinc/73/32/37/683733237.db2.gz BBESDSUXRNZXBP-UHFFFAOYSA-N 1 1 360.527 2.456 20 10 FECDMO CCC[N@@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1ccccc1O ZINC000068973640 541646124 /nfs/dbraw/zinc/64/61/24/541646124.db2.gz NRNSKTQCWPFYLG-INIZCTEOSA-N 1 1 361.486 2.121 20 10 FECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)COc1ccccc1 ZINC000073021413 541909646 /nfs/dbraw/zinc/90/96/46/541909646.db2.gz BOQWRDMJHLYTGE-HXUWFJFHSA-N 1 1 356.466 2.395 20 10 FECDMO CCOC(=O)C1(C)CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000092824142 542888682 /nfs/dbraw/zinc/88/86/82/542888682.db2.gz ZTFPNUMKWHIYSR-UHFFFAOYSA-N 1 1 361.486 2.034 20 10 FECDMO C[N@@H+](CCCO)C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093394586 542930466 /nfs/dbraw/zinc/93/04/66/542930466.db2.gz VNSKSKSKBUNMTL-UHFFFAOYSA-N 1 1 357.292 2.433 20 10 FECDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000105179545 543163803 /nfs/dbraw/zinc/16/38/03/543163803.db2.gz XUTCHJBOFJPONF-LJQANCHMSA-N 1 1 374.529 2.443 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1c1ccncc1)cc2=O ZINC000125578767 543889870 /nfs/dbraw/zinc/88/98/70/543889870.db2.gz FIAKZGCJXNYAHJ-INIZCTEOSA-N 1 1 367.409 2.344 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1c1ccncc1)cc2=O ZINC000125578767 543889872 /nfs/dbraw/zinc/88/98/72/543889872.db2.gz FIAKZGCJXNYAHJ-INIZCTEOSA-N 1 1 367.409 2.344 20 10 FECDMO O=C(C[C@H]1COC(=O)C1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134269653 544301065 /nfs/dbraw/zinc/30/10/65/544301065.db2.gz AEPZZRWNKALUGG-IUODEOHRSA-N 1 1 366.845 2.079 20 10 FECDMO CCN1CCN([C@@H](C)C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000155647134 545554007 /nfs/dbraw/zinc/55/40/07/545554007.db2.gz JSITZHJWSVLFJC-SFHVURJKSA-N 1 1 360.546 2.280 20 10 FECDMO COc1cccc(CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1O ZINC000175929419 546373505 /nfs/dbraw/zinc/37/35/05/546373505.db2.gz QRAZOKANDQBRQQ-SFHVURJKSA-N 1 1 370.449 2.308 20 10 FECDMO COc1cccc(CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1O ZINC000175929419 546373513 /nfs/dbraw/zinc/37/35/13/546373513.db2.gz QRAZOKANDQBRQQ-SFHVURJKSA-N 1 1 370.449 2.308 20 10 FECDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000183452143 547662963 /nfs/dbraw/zinc/66/29/63/547662963.db2.gz GWBGGPNTKKTZEP-YWZLYKJASA-N 1 1 370.449 2.046 20 10 FECDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000183452143 547662970 /nfs/dbraw/zinc/66/29/70/547662970.db2.gz GWBGGPNTKKTZEP-YWZLYKJASA-N 1 1 370.449 2.046 20 10 FECDMO C[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])N1CC[NH+](C)CC1 ZINC000185365862 547975801 /nfs/dbraw/zinc/97/58/01/547975801.db2.gz AXCGPUFSFVHBEK-OLZOCXBDSA-N 1 1 356.308 2.441 20 10 FECDMO CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000266836897 550024594 /nfs/dbraw/zinc/02/45/94/550024594.db2.gz OAGLONGKKLSRNW-LJQANCHMSA-N 1 1 357.454 2.205 20 10 FECDMO CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000266836897 550024595 /nfs/dbraw/zinc/02/45/95/550024595.db2.gz OAGLONGKKLSRNW-LJQANCHMSA-N 1 1 357.454 2.205 20 10 FECDMO CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3cc(F)ccc3O)CC2)n1 ZINC000272442198 550448308 /nfs/dbraw/zinc/44/83/08/550448308.db2.gz ORXCCIAWBXZDHY-ZDUSSCGKSA-N 1 1 364.421 2.330 20 10 FECDMO Cc1cc(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000272985748 550479729 /nfs/dbraw/zinc/47/97/29/550479729.db2.gz RCDUDGKOKONMNM-UHFFFAOYSA-N 1 1 355.486 2.280 20 10 FECDMO Cc1cc(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)[nH]n1 ZINC000272985748 550479733 /nfs/dbraw/zinc/47/97/33/550479733.db2.gz RCDUDGKOKONMNM-UHFFFAOYSA-N 1 1 355.486 2.280 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278143720 550754178 /nfs/dbraw/zinc/75/41/78/550754178.db2.gz BJEYLRAKHNKVCF-MFKMUULPSA-N 1 1 350.293 2.197 20 10 FECDMO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000278216737 550762042 /nfs/dbraw/zinc/76/20/42/550762042.db2.gz KVIUKNGRWSIJHO-GFCCVEGCSA-N 1 1 350.371 2.084 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC000278570114 550800176 /nfs/dbraw/zinc/80/01/76/550800176.db2.gz CSLYVXGQLYSSJU-UHFFFAOYSA-N 1 1 359.382 2.301 20 10 FECDMO CCCOc1ccc(C[N@H+]2C[C@H](CO)C[C@@H](OCCOC)C2)c(O)c1 ZINC000278748023 550817457 /nfs/dbraw/zinc/81/74/57/550817457.db2.gz RTKHSRJYAMFCKF-CRAIPNDOSA-N 1 1 353.459 2.027 20 10 FECDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286569076 551901043 /nfs/dbraw/zinc/90/10/43/551901043.db2.gz PNWSAZCRQZQITH-CVVMMBEDSA-N 1 1 357.498 2.066 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c(O)c1 ZINC000289947855 552403992 /nfs/dbraw/zinc/40/39/92/552403992.db2.gz YPAUSVZNYCPWLC-LIRRHRJNSA-N 1 1 361.442 2.134 20 10 FECDMO COc1cc(O)c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1OC ZINC000294696926 552927667 /nfs/dbraw/zinc/92/76/67/552927667.db2.gz CQMJAMOKNBRAGS-UONOGXRCSA-N 1 1 356.422 2.190 20 10 FECDMO COCCC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000294951379 552946714 /nfs/dbraw/zinc/94/67/14/552946714.db2.gz QEERCAWBBAFJEP-GFCCVEGCSA-N 1 1 365.854 2.210 20 10 FECDMO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+](C2CC2)C1 ZINC000296706370 553200695 /nfs/dbraw/zinc/20/06/95/553200695.db2.gz LKXLLHIRJXQQPI-QGZVFWFLSA-N 1 1 358.530 2.127 20 10 FECDMO COc1cc([N+](=O)[O-])c(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1OC ZINC000301923734 553692659 /nfs/dbraw/zinc/69/26/59/553692659.db2.gz LUWCHXGSSZHBFC-ZDUSSCGKSA-N 1 1 365.430 2.302 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000365533973 555601498 /nfs/dbraw/zinc/60/14/98/555601498.db2.gz DIXYUGKGPOHGGC-NRSPTQNISA-N 1 1 370.541 2.127 20 10 FECDMO COc1ccc(O)c(C[NH2+]Cc2nnc3n2C[C@H](C(F)(F)F)CC3)c1 ZINC000371664797 557256478 /nfs/dbraw/zinc/25/64/78/557256478.db2.gz JGSPFCZRCUGRGZ-LLVKDONJSA-N 1 1 356.348 2.407 20 10 FECDMO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000372443233 557472185 /nfs/dbraw/zinc/47/21/85/557472185.db2.gz JMPNVEBXHFGSLD-NRFANRHFSA-N 1 1 365.477 2.196 20 10 FECDMO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000372443233 557472186 /nfs/dbraw/zinc/47/21/86/557472186.db2.gz JMPNVEBXHFGSLD-NRFANRHFSA-N 1 1 365.477 2.196 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1O ZINC000375363433 558015701 /nfs/dbraw/zinc/01/57/01/558015701.db2.gz SZQGKKCJJWOUKR-NXEZZACHSA-N 1 1 352.740 2.150 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1OC ZINC000375407039 558022166 /nfs/dbraw/zinc/02/21/66/558022166.db2.gz VUVZHCALPPMZOJ-QMTMVMCOSA-N 1 1 351.443 2.161 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)ccc1[N+](=O)[O-] ZINC000375420479 558024014 /nfs/dbraw/zinc/02/40/14/558024014.db2.gz VJYBLRFRILCKIL-IYOUNJFTSA-N 1 1 366.414 2.061 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)ccc1[N+](=O)[O-] ZINC000375420479 558024016 /nfs/dbraw/zinc/02/40/16/558024016.db2.gz VJYBLRFRILCKIL-IYOUNJFTSA-N 1 1 366.414 2.061 20 10 FECDMO CC[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1ccc(F)cc1O ZINC000375789325 558079779 /nfs/dbraw/zinc/07/97/79/558079779.db2.gz TZHYBRYOKSMDDM-MJGOQNOKSA-N 1 1 352.450 2.453 20 10 FECDMO CC[N@H+](C)CCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000444237432 560106579 /nfs/dbraw/zinc/10/65/79/560106579.db2.gz JXDGONNZSSNUAS-UHFFFAOYSA-N 1 1 356.514 2.476 20 10 FECDMO CC[N@@H+](C)CCNC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000444237432 560106580 /nfs/dbraw/zinc/10/65/80/560106580.db2.gz JXDGONNZSSNUAS-UHFFFAOYSA-N 1 1 356.514 2.476 20 10 FECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)CC[NH+](C)C)C1 ZINC000444263561 560107168 /nfs/dbraw/zinc/10/71/68/560107168.db2.gz GWJOJYUNKNNANX-UHFFFAOYSA-N 1 1 356.514 2.428 20 10 FECDMO COCC(COC)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000456222943 560512197 /nfs/dbraw/zinc/51/21/97/560512197.db2.gz JAXPDPYFGGUURB-UHFFFAOYSA-N 1 1 373.497 2.185 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000809688901 674505204 /nfs/dbraw/zinc/50/52/04/674505204.db2.gz REOVWVFXXQPEJZ-SFHVURJKSA-N 1 1 353.532 2.389 20 10 FECDMO O=C([C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1)N1CCOCC1 ZINC000816483272 675058735 /nfs/dbraw/zinc/05/87/35/675058735.db2.gz MLQPGMLXVIOPDF-GFCCVEGCSA-N 1 1 356.825 2.256 20 10 FECDMO O=C([C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1)N1CCOCC1 ZINC000816483272 675058737 /nfs/dbraw/zinc/05/87/37/675058737.db2.gz MLQPGMLXVIOPDF-GFCCVEGCSA-N 1 1 356.825 2.256 20 10 FECDMO CCN(CC)C(=O)CN1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000129243708 672059638 /nfs/dbraw/zinc/05/96/38/672059638.db2.gz QTSNMVMQXSXLNV-UHFFFAOYSA-N 1 1 353.894 2.422 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1F ZINC000154081215 672210235 /nfs/dbraw/zinc/21/02/35/672210235.db2.gz MDXNTVPCLWPQQA-OAHLLOKOSA-N 1 1 357.495 2.186 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1F ZINC000154081215 672210239 /nfs/dbraw/zinc/21/02/39/672210239.db2.gz MDXNTVPCLWPQQA-OAHLLOKOSA-N 1 1 357.495 2.186 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1O ZINC000159533873 672283087 /nfs/dbraw/zinc/28/30/87/672283087.db2.gz PUTMESBZBLWACS-ZJUUUORDSA-N 1 1 357.248 2.249 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1O ZINC000177283481 672381750 /nfs/dbraw/zinc/38/17/50/672381750.db2.gz DEEBXJUBORKQRS-QGZVFWFLSA-N 1 1 350.434 2.421 20 10 FECDMO Cc1cccc(C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1O ZINC000179588632 672403625 /nfs/dbraw/zinc/40/36/25/672403625.db2.gz PTPFRCXUCCLQLF-UHFFFAOYSA-N 1 1 360.479 2.348 20 10 FECDMO O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000734269579 673458364 /nfs/dbraw/zinc/45/83/64/673458364.db2.gz GPVNSFULUYUBJH-MRXNPFEDSA-N 1 1 360.527 2.276 20 10 FECDMO COc1ccc(N2CC[C@H](CNC(=O)C[N@@H+](C)[C@H]3CCSC3)C2)cc1 ZINC000819586855 675302831 /nfs/dbraw/zinc/30/28/31/675302831.db2.gz VCCOGKHHTNKTPU-WBVHZDCISA-N 1 1 363.527 2.075 20 10 FECDMO COCC[N@H+](CC(=O)N(C)C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000824586616 675612419 /nfs/dbraw/zinc/61/24/19/675612419.db2.gz DFVFFQRKZFBZIR-UHFFFAOYSA-N 1 1 352.475 2.235 20 10 FECDMO COCC[N@@H+](CC(=O)N(C)C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000824586616 675612421 /nfs/dbraw/zinc/61/24/21/675612421.db2.gz DFVFFQRKZFBZIR-UHFFFAOYSA-N 1 1 352.475 2.235 20 10 FECDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824819841 675623167 /nfs/dbraw/zinc/62/31/67/675623167.db2.gz UXBJOMGPELTLIT-NXEZZACHSA-N 1 1 350.278 2.408 20 10 FECDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824819841 675623170 /nfs/dbraw/zinc/62/31/70/675623170.db2.gz UXBJOMGPELTLIT-NXEZZACHSA-N 1 1 350.278 2.408 20 10 FECDMO Cc1cccc(C[NH2+]Cc2nn(C)cc2I)c1O ZINC000825079289 675635828 /nfs/dbraw/zinc/63/58/28/675635828.db2.gz QWCZJYNYGIVKMD-UHFFFAOYSA-N 1 1 357.195 2.329 20 10 FECDMO [O-]c1cc(Br)ccc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000825284345 675645090 /nfs/dbraw/zinc/64/50/90/675645090.db2.gz YPFKELNNGLWKFO-OAHLLOKOSA-N 1 1 357.292 2.481 20 10 FECDMO [O-]c1cc(Br)ccc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000825284345 675645093 /nfs/dbraw/zinc/64/50/93/675645093.db2.gz YPFKELNNGLWKFO-OAHLLOKOSA-N 1 1 357.292 2.481 20 10 FECDMO Cc1cc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000829993849 677020630 /nfs/dbraw/zinc/02/06/30/677020630.db2.gz NCSWCVNIAKVDGZ-SFHVURJKSA-N 1 1 365.543 2.451 20 10 FECDMO C[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC[N@H+]1C ZINC000761283177 680717965 /nfs/dbraw/zinc/71/79/65/680717965.db2.gz RGJMDKZXCJUYNG-FZMZJTMJSA-N 1 1 351.834 2.293 20 10 FECDMO Cc1cnn(C)c1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000839708768 680773425 /nfs/dbraw/zinc/77/34/25/680773425.db2.gz NCEJXFFLAGYOEX-OAHLLOKOSA-N 1 1 362.861 2.482 20 10 FECDMO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1[O-] ZINC000841087629 680862696 /nfs/dbraw/zinc/86/26/96/680862696.db2.gz OILOPMJVNANCOJ-UHFFFAOYSA-N 1 1 368.865 2.260 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000835053687 680291470 /nfs/dbraw/zinc/29/14/70/680291470.db2.gz ZBHZQZFXCVBQKL-FZMUQLTDSA-N 1 1 351.516 2.122 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000835053687 680291476 /nfs/dbraw/zinc/29/14/76/680291476.db2.gz ZBHZQZFXCVBQKL-FZMUQLTDSA-N 1 1 351.516 2.122 20 10 FECDMO O=C(NCCCSc1nccs1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000759586897 680657531 /nfs/dbraw/zinc/65/75/31/680657531.db2.gz WXVQBBWLXYSATJ-CQSZACIVSA-N 1 1 370.544 2.132 20 10 FECDMO CC[N@H+]1CCC[C@H]1CNC(=S)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844582411 681066964 /nfs/dbraw/zinc/06/69/64/681066964.db2.gz JKJYOZAEDGLUTF-KRWDZBQOSA-N 1 1 364.559 2.422 20 10 FECDMO C[NH+](C)CCn1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000848078709 681470665 /nfs/dbraw/zinc/47/06/65/681470665.db2.gz BZJRBZWAVNOWCJ-UHFFFAOYSA-N 1 1 357.241 2.387 20 10 FECDMO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000779177120 681686268 /nfs/dbraw/zinc/68/62/68/681686268.db2.gz FIVFPKHGTFBOFQ-ZDUSSCGKSA-N 1 1 351.878 2.353 20 10 FECDMO CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000853434710 682413024 /nfs/dbraw/zinc/41/30/24/682413024.db2.gz CQLZPAFFGISJFN-GOSISDBHSA-N 1 1 362.543 2.475 20 10 FECDMO Cc1cc(Br)cc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1O ZINC000793591836 682897823 /nfs/dbraw/zinc/89/78/23/682897823.db2.gz RJIZVHHNHOCNBZ-QWHCGFSZSA-N 1 1 357.292 2.350 20 10 FECDMO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000865818955 684033288 /nfs/dbraw/zinc/03/32/88/684033288.db2.gz ZPHKSSAXUDYZSQ-UHFFFAOYSA-N 1 1 372.849 2.425 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c1 ZINC000866436673 684104043 /nfs/dbraw/zinc/10/40/43/684104043.db2.gz QDPYCSBNVXRIDA-TVQRCGJNSA-N 1 1 358.320 2.225 20 10 FECDMO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000866439816 684104614 /nfs/dbraw/zinc/10/46/14/684104614.db2.gz IRIZMLMEPXWZLS-GUBZILKMSA-N 1 1 362.348 2.128 20 10 FECDMO C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cccc(C(F)(F)F)c1O ZINC000866521788 684115025 /nfs/dbraw/zinc/11/50/25/684115025.db2.gz PBSYJEGKGUWIGR-BONVTDFDSA-N 1 1 360.332 2.283 20 10 FECDMO C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000866572480 684120975 /nfs/dbraw/zinc/12/09/75/684120975.db2.gz ORHHIXSNEWWXEA-VIFPVBQESA-N 1 1 354.394 2.376 20 10 FECDMO CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866765551 684147903 /nfs/dbraw/zinc/14/79/03/684147903.db2.gz YSKRBJWMQRNILB-HZPDHXFCSA-N 1 1 367.877 2.041 20 10 FECDMO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1c(O)cccc1F ZINC000886554730 688274061 /nfs/dbraw/zinc/27/40/61/688274061.db2.gz BBLHDQGBOBIATP-WDEREUQCSA-N 1 1 359.444 2.078 20 10 FECDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896210901 689838298 /nfs/dbraw/zinc/83/82/98/689838298.db2.gz OYAXMVAUGGFWRB-GFCCVEGCSA-N 1 1 350.440 2.153 20 10 FECDMO C[C@H]1CC[N@@H+](CCNC(=O)NCc2cccc(Br)c2O)C1 ZINC000897454681 690025634 /nfs/dbraw/zinc/02/56/34/690025634.db2.gz IODZNBRRTCTUNN-NSHDSACASA-N 1 1 356.264 2.296 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN3CCSC[C@@H]23)c1 ZINC000903271777 690877365 /nfs/dbraw/zinc/87/73/65/690877365.db2.gz NTAQHLUBRNJNOL-RCBQFDQVSA-N 1 1 350.484 2.409 20 10 FECDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000073821928 542004659 /nfs/dbraw/zinc/00/46/59/542004659.db2.gz ZCXPGYQSOFSZPU-LJQANCHMSA-N 1 1 374.529 2.397 20 10 FECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000083738767 542704599 /nfs/dbraw/zinc/70/45/99/542704599.db2.gz FYKNDQOSXGFCIQ-UHFFFAOYSA-N 1 1 358.490 2.284 20 10 FECDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(Br)ccc1O ZINC000093420070 542931546 /nfs/dbraw/zinc/93/15/46/542931546.db2.gz CXRYMYKROWGJSR-NXEZZACHSA-N 1 1 350.278 2.408 20 10 FECDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000093420070 542931548 /nfs/dbraw/zinc/93/15/48/542931548.db2.gz CXRYMYKROWGJSR-NXEZZACHSA-N 1 1 350.278 2.408 20 10 FECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000122522618 543707915 /nfs/dbraw/zinc/70/79/15/543707915.db2.gz RMAQPIXNLQISPC-LJQANCHMSA-N 1 1 357.429 2.321 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000122522618 543707917 /nfs/dbraw/zinc/70/79/17/543707917.db2.gz RMAQPIXNLQISPC-LJQANCHMSA-N 1 1 357.429 2.321 20 10 FECDMO Cc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000123552757 543768333 /nfs/dbraw/zinc/76/83/33/543768333.db2.gz ZJPQHHDTQVFDKY-ZDUSSCGKSA-N 1 1 350.806 2.131 20 10 FECDMO Cc1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000123552757 543768335 /nfs/dbraw/zinc/76/83/35/543768335.db2.gz ZJPQHHDTQVFDKY-ZDUSSCGKSA-N 1 1 350.806 2.131 20 10 FECDMO C[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[NH+]1CCSCC1 ZINC000133426567 544268944 /nfs/dbraw/zinc/26/89/44/544268944.db2.gz NFPXQLKXWYVKKX-RDJZCZTQSA-N 1 1 364.511 2.337 20 10 FECDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805199446 674325606 /nfs/dbraw/zinc/32/56/06/674325606.db2.gz SZRISMLUZWWGPX-HZMBPMFUSA-N 1 1 368.275 2.437 20 10 FECDMO CC[N@@H+](CCN1C(=O)CCC1=O)Cc1cc(Br)ccc1O ZINC000174422645 546295493 /nfs/dbraw/zinc/29/54/93/546295493.db2.gz KBVJERCGWKAEII-UHFFFAOYSA-N 1 1 355.232 2.126 20 10 FECDMO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[N@H+]1C1CC1 ZINC000177071053 546539211 /nfs/dbraw/zinc/53/92/11/546539211.db2.gz XZFZZLIGSSMNID-HNXULLEBSA-N 1 1 355.482 2.278 20 10 FECDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000190849942 548335283 /nfs/dbraw/zinc/33/52/83/548335283.db2.gz CZCFYPLYOIXUFT-MRXNPFEDSA-N 1 1 360.882 2.482 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)c3cccnc3)CC2)cc1 ZINC000266834466 550024582 /nfs/dbraw/zinc/02/45/82/550024582.db2.gz KWGJVFYJBMQKOJ-QGZVFWFLSA-N 1 1 368.481 2.132 20 10 FECDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271177824 550348765 /nfs/dbraw/zinc/34/87/65/550348765.db2.gz LAXWLEJRBHRWCU-KRWDZBQOSA-N 1 1 351.516 2.177 20 10 FECDMO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000273595143 550504684 /nfs/dbraw/zinc/50/46/84/550504684.db2.gz QJCNTTLUMFTZNO-OAHLLOKOSA-N 1 1 363.502 2.103 20 10 FECDMO C[C@H](CNC(=O)NCc1cccc(Br)c1O)[N@@H+](C)C1CC1 ZINC000277654030 550696913 /nfs/dbraw/zinc/69/69/13/550696913.db2.gz YOQMTQOYHADDLL-SNVBAGLBSA-N 1 1 356.264 2.437 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278928111 550836897 /nfs/dbraw/zinc/83/68/97/550836897.db2.gz VUKVWDKEHGOTSZ-ZDUSSCGKSA-N 1 1 357.366 2.204 20 10 FECDMO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)N1CCN(C)CC1 ZINC000281005061 551053718 /nfs/dbraw/zinc/05/37/18/551053718.db2.gz WFTUMUGAVYGSBZ-CQSZACIVSA-N 1 1 358.452 2.497 20 10 FECDMO O=S1(=O)CCC[C@@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000283949844 551455833 /nfs/dbraw/zinc/45/58/33/551455833.db2.gz DKVRQZDUVINOMM-DOTOQJQBSA-N 1 1 353.484 2.198 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCn2cc(Br)cn2)c1 ZINC000285758315 551806099 /nfs/dbraw/zinc/80/60/99/551806099.db2.gz SNDMYEPJYKHPKH-SNVBAGLBSA-N 1 1 368.231 2.489 20 10 FECDMO NC(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000289690531 552362436 /nfs/dbraw/zinc/36/24/36/552362436.db2.gz FLXXPFOLOWNIOB-QGZVFWFLSA-N 1 1 359.857 2.390 20 10 FECDMO COc1ccc(N2CCN(CCC[NH2+]Cc3cn(C(C)C)nn3)CC2)cc1 ZINC000289881307 552393871 /nfs/dbraw/zinc/39/38/71/552393871.db2.gz XDXHDGQIAIZUPT-UHFFFAOYSA-N 1 1 372.517 2.170 20 10 FECDMO C[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CC[NH+](C)CC1 ZINC000299688496 553601627 /nfs/dbraw/zinc/60/16/27/553601627.db2.gz TWGWEPNRILREFK-SFHVURJKSA-N 1 1 358.530 2.271 20 10 FECDMO CN1CC[NH+](C2(C(=O)NCc3c(O)ccc4c3CCCC4)CCCC2)CC1 ZINC000361974820 554941347 /nfs/dbraw/zinc/94/13/47/554941347.db2.gz QULDZERHODJMTG-UHFFFAOYSA-N 1 1 371.525 2.447 20 10 FECDMO O=C(C[C@@H]1COC(=O)C1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363706155 555168162 /nfs/dbraw/zinc/16/81/62/555168162.db2.gz AEPZZRWNKALUGG-WFASDCNBSA-N 1 1 366.845 2.079 20 10 FECDMO CC(=O)c1cc(Cl)cc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000364231774 555274957 /nfs/dbraw/zinc/27/49/57/555274957.db2.gz QPZQYPQSCSQJPZ-KRWDZBQOSA-N 1 1 365.905 2.460 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1O ZINC000365835976 555679077 /nfs/dbraw/zinc/67/90/77/555679077.db2.gz HNLDTMXOVLYFEW-CYBMUJFWSA-N 1 1 350.434 2.419 20 10 FECDMO COc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1OC ZINC000367749194 556129658 /nfs/dbraw/zinc/12/96/58/556129658.db2.gz LRWUZKVJNCHUSJ-QGZVFWFLSA-N 1 1 363.502 2.010 20 10 FECDMO COc1cc(O)c(C[N@H+]2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1OC ZINC000367749194 556129662 /nfs/dbraw/zinc/12/96/62/556129662.db2.gz LRWUZKVJNCHUSJ-QGZVFWFLSA-N 1 1 363.502 2.010 20 10 FECDMO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000373206316 557649832 /nfs/dbraw/zinc/64/98/32/557649832.db2.gz ARNKWSFDWFSTNH-ZDUSSCGKSA-N 1 1 360.366 2.411 20 10 FECDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000373464134 557698685 /nfs/dbraw/zinc/69/86/85/557698685.db2.gz CNGJJBBTPPPKGS-YOEHRIQHSA-N 1 1 355.438 2.205 20 10 FECDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000373464134 557698687 /nfs/dbraw/zinc/69/86/87/557698687.db2.gz CNGJJBBTPPPKGS-YOEHRIQHSA-N 1 1 355.438 2.205 20 10 FECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1=CCOCC1 ZINC000373534862 557712787 /nfs/dbraw/zinc/71/27/87/557712787.db2.gz DXVDCHIEUATLFY-INIZCTEOSA-N 1 1 350.846 2.473 20 10 FECDMO NC(=O)[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000374312180 557863514 /nfs/dbraw/zinc/86/35/14/557863514.db2.gz UUHFLYOMSFSIHL-FQEVSTJZSA-N 1 1 351.450 2.108 20 10 FECDMO NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000374312180 557863516 /nfs/dbraw/zinc/86/35/16/557863516.db2.gz UUHFLYOMSFSIHL-FQEVSTJZSA-N 1 1 351.450 2.108 20 10 FECDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000377617406 558378362 /nfs/dbraw/zinc/37/83/62/558378362.db2.gz VTZKFVQWOYCNDO-HKUYNNGSSA-N 1 1 362.470 2.009 20 10 FECDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000377617406 558378364 /nfs/dbraw/zinc/37/83/64/558378364.db2.gz VTZKFVQWOYCNDO-HKUYNNGSSA-N 1 1 362.470 2.009 20 10 FECDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000736818675 599108514 /nfs/dbraw/zinc/10/85/14/599108514.db2.gz UJLWMQLYGMUGAR-UHFFFAOYSA-N 1 1 364.453 2.335 20 10 FECDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821109246 607454095 /nfs/dbraw/zinc/45/40/95/607454095.db2.gz DNDQOPXXBNGQLN-QGZVFWFLSA-N 1 1 366.425 2.011 20 10 FECDMO Cc1cccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1O ZINC000826298403 608590071 /nfs/dbraw/zinc/59/00/71/608590071.db2.gz RARAYXUBGYATHW-KRWDZBQOSA-N 1 1 351.410 2.454 20 10 FECDMO CC(C)[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H](O)CO ZINC000817417640 675131284 /nfs/dbraw/zinc/13/12/84/675131284.db2.gz MKQQRBCVYPSOBD-MRXNPFEDSA-N 1 1 351.447 2.149 20 10 FECDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000092303751 670737363 /nfs/dbraw/zinc/73/73/63/670737363.db2.gz DMRCUZUBYIVUMN-HNNXBMFYSA-N 1 1 370.515 2.212 20 10 FECDMO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000093413954 670753176 /nfs/dbraw/zinc/75/31/76/670753176.db2.gz XOLZHRYYEBMRHH-MRXNPFEDSA-N 1 1 354.516 2.168 20 10 FECDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000093413954 670753178 /nfs/dbraw/zinc/75/31/78/670753178.db2.gz XOLZHRYYEBMRHH-MRXNPFEDSA-N 1 1 354.516 2.168 20 10 FECDMO CC(C)[NH+]1CCN(c2cccc(NS(=O)(=O)c3cccnc3)c2)CC1 ZINC000126963688 672030576 /nfs/dbraw/zinc/03/05/76/672030576.db2.gz QWEMMAIMGAIZOK-UHFFFAOYSA-N 1 1 360.483 2.413 20 10 FECDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000742804725 673738698 /nfs/dbraw/zinc/73/86/98/673738698.db2.gz AZUWBTKYEYFCAW-UONOGXRCSA-N 1 1 353.413 2.325 20 10 FECDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000819824452 675316532 /nfs/dbraw/zinc/31/65/32/675316532.db2.gz KSYJYXXHPLTZCG-HOTGVXAUSA-N 1 1 359.495 2.437 20 10 FECDMO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccc(OCC)cc2O)CC1 ZINC000824608652 675613384 /nfs/dbraw/zinc/61/33/84/675613384.db2.gz LMDYOUABRFUTKC-VWLOTQADSA-N 1 1 369.483 2.067 20 10 FECDMO C[C@H]1CN(Cc2ccc(Br)cc2O)CC[N@H+]1CC(C)(C)O ZINC000825628730 675661649 /nfs/dbraw/zinc/66/16/49/675661649.db2.gz GWVAPXLSMGGEDR-LBPRGKRZSA-N 1 1 357.292 2.432 20 10 FECDMO Cc1cc(O)c(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1Cl ZINC000825803940 675669735 /nfs/dbraw/zinc/66/97/35/675669735.db2.gz NLVIHQKYKBUJLB-UHFFFAOYSA-N 1 1 358.891 2.354 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1Cl ZINC000825803940 675669738 /nfs/dbraw/zinc/66/97/38/675669738.db2.gz NLVIHQKYKBUJLB-UHFFFAOYSA-N 1 1 358.891 2.354 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1Cl ZINC000825886458 675672708 /nfs/dbraw/zinc/67/27/08/675672708.db2.gz PFBRHHLVZMJVCD-PXAZEXFGSA-N 1 1 351.834 2.307 20 10 FECDMO Cc1cc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000827641032 675770109 /nfs/dbraw/zinc/77/01/09/675770109.db2.gz GFIHCJBEKAXUCS-GOSISDBHSA-N 1 1 365.543 2.499 20 10 FECDMO Cc1cc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000827963446 675789399 /nfs/dbraw/zinc/78/93/99/675789399.db2.gz LMCNSDYOSMZMLO-SFHVURJKSA-N 1 1 365.543 2.486 20 10 FECDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828357336 675815222 /nfs/dbraw/zinc/81/52/22/675815222.db2.gz DNDUPOSKCROWND-SFHVURJKSA-N 1 1 365.543 2.499 20 10 FECDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000749971507 680092319 /nfs/dbraw/zinc/09/23/19/680092319.db2.gz JVZVWTHSUXQPTI-CQSZACIVSA-N 1 1 364.467 2.068 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000834883946 680280136 /nfs/dbraw/zinc/28/01/36/680280136.db2.gz SPBFLEMYIMIXBS-LBPRGKRZSA-N 1 1 363.435 2.433 20 10 FECDMO Cn1nccc1CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768083680 680937499 /nfs/dbraw/zinc/93/74/99/680937499.db2.gz YQWZWYDWWXGXEV-HNNXBMFYSA-N 1 1 362.861 2.102 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC1(O)CCS(=O)(=O)CC1 ZINC000769173454 680973384 /nfs/dbraw/zinc/97/33/84/680973384.db2.gz PTZAWZQPOVKDGR-UHFFFAOYSA-N 1 1 366.527 2.048 20 10 FECDMO Oc1c(Br)cccc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000769330127 680978418 /nfs/dbraw/zinc/97/84/18/680978418.db2.gz WLQJLWTZJILCJV-GJZGRUSLSA-N 1 1 355.276 2.186 20 10 FECDMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1C ZINC000771059387 681039797 /nfs/dbraw/zinc/03/97/97/681039797.db2.gz PXFTXHQXODLJFR-OAHLLOKOSA-N 1 1 362.861 2.482 20 10 FECDMO COc1c(O)c(C[NH+]2CCC(N(C)CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000774904071 681248502 /nfs/dbraw/zinc/24/85/02/681248502.db2.gz NTQISMRUEQZCHV-UHFFFAOYSA-N 1 1 359.373 2.470 20 10 FECDMO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)c1O ZINC000848524850 681571142 /nfs/dbraw/zinc/57/11/42/681571142.db2.gz XWMXCMJKXQDCES-AAEUAGOBSA-N 1 1 373.291 2.271 20 10 FECDMO CC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H](O)C(F)(F)F ZINC000779193735 681687770 /nfs/dbraw/zinc/68/77/70/681687770.db2.gz SEHQEZKMROMZNU-HNNXBMFYSA-N 1 1 350.356 2.407 20 10 FECDMO CCCN(CCC)c1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2OC)cc1 ZINC000850359262 681891021 /nfs/dbraw/zinc/89/10/21/681891021.db2.gz BTXMZGZIEMMIKI-ZWKOTPCHSA-N 1 1 354.516 2.215 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(N3CCNC3=O)CC2)c1 ZINC000781900660 681986520 /nfs/dbraw/zinc/98/65/20/681986520.db2.gz NPBOWYCUJLYEIA-UHFFFAOYSA-N 1 1 368.275 2.453 20 10 FECDMO CC[N@H+](CC(=O)Nc1cnccn1)Cc1cc(Br)ccc1O ZINC000851792156 682137010 /nfs/dbraw/zinc/13/70/10/682137010.db2.gz IKNPECCSQQRXHB-UHFFFAOYSA-N 1 1 365.231 2.405 20 10 FECDMO CC[N@@H+](CC(=O)Nc1cnccn1)Cc1cc(Br)ccc1O ZINC000851792156 682137015 /nfs/dbraw/zinc/13/70/15/682137015.db2.gz IKNPECCSQQRXHB-UHFFFAOYSA-N 1 1 365.231 2.405 20 10 FECDMO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1cc(C)cc(C)c1O)C2 ZINC000789492058 682609995 /nfs/dbraw/zinc/60/99/95/682609995.db2.gz UTCRHKKITFYOMK-UHFFFAOYSA-N 1 1 360.479 2.475 20 10 FECDMO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cc(C)cc(C)c1O)C2 ZINC000789492058 682609996 /nfs/dbraw/zinc/60/99/96/682609996.db2.gz UTCRHKKITFYOMK-UHFFFAOYSA-N 1 1 360.479 2.475 20 10 FECDMO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@]2(CCOC2)O1 ZINC000793360856 682884986 /nfs/dbraw/zinc/88/49/86/682884986.db2.gz AVSUGFYDRIIYRD-KXBFYZLASA-N 1 1 350.434 2.042 20 10 FECDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@]2(CCOC2)O1 ZINC000793360856 682884988 /nfs/dbraw/zinc/88/49/88/682884988.db2.gz AVSUGFYDRIIYRD-KXBFYZLASA-N 1 1 350.434 2.042 20 10 FECDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(F)cc1O ZINC000799725861 683487827 /nfs/dbraw/zinc/48/78/27/683487827.db2.gz KFEISADKWAFIIL-JTQLQIEISA-N 1 1 374.384 2.439 20 10 FECDMO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2c(O)cccc2Br)n[nH]1 ZINC000922408210 683716748 /nfs/dbraw/zinc/71/67/48/683716748.db2.gz ISUMWHOEHQILOX-QMTHXVAHSA-N 1 1 367.247 2.449 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2C[C@H](O)C23CCOCC3)c1 ZINC000923017568 683820065 /nfs/dbraw/zinc/82/00/65/683820065.db2.gz BWOSFGUJYBOLEP-KBPBESRZSA-N 1 1 356.260 2.483 20 10 FECDMO CC[C@@H](NC(C)=O)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866765552 684147732 /nfs/dbraw/zinc/14/77/32/684147732.db2.gz YSKRBJWMQRNILB-JKSUJKDBSA-N 1 1 367.877 2.041 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)cc1OC ZINC000877774333 686451642 /nfs/dbraw/zinc/45/16/42/686451642.db2.gz JYIPTXRLAQJUSD-UHFFFAOYSA-N 1 1 350.459 2.490 20 10 FECDMO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1c(O)cccc1F ZINC000886538957 688272923 /nfs/dbraw/zinc/27/29/23/688272923.db2.gz QQKUGRCNTPWDAA-VIFPVBQESA-N 1 1 370.368 2.496 20 10 FECDMO C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1c(O)cccc1F ZINC000886547798 688273289 /nfs/dbraw/zinc/27/32/89/688273289.db2.gz RQZYTTDDMGGVBB-SNVBAGLBSA-N 1 1 366.405 2.446 20 10 FECDMO COc1ccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c(O)c1OC ZINC000891918180 689126335 /nfs/dbraw/zinc/12/63/35/689126335.db2.gz VZMLCNBDVNGYOX-INIZCTEOSA-N 1 1 350.459 2.096 20 10 FECDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(Br)cc(C)c3O)C[C@@H]2C1 ZINC000895576872 689738607 /nfs/dbraw/zinc/73/86/07/689738607.db2.gz VKEGPGSSAVKIKL-OKILXGFUSA-N 1 1 353.260 2.373 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](C3OCCO3)C2)c1O ZINC000896385735 689866818 /nfs/dbraw/zinc/86/68/18/689866818.db2.gz WJNNYKDIMSOGCS-JTQLQIEISA-N 1 1 358.232 2.358 20 10 FECDMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c(O)c1OC ZINC000896398602 689868674 /nfs/dbraw/zinc/86/86/74/689868674.db2.gz WIPQFIXRKFGMJC-FZKQIMNGSA-N 1 1 350.415 2.120 20 10 FECDMO COC(=O)c1cc(C2C[NH+](Cc3ccc(Br)cc3O)C2)[nH]n1 ZINC000898002173 690113958 /nfs/dbraw/zinc/11/39/58/690113958.db2.gz OPWZVKUFIYQAGT-UHFFFAOYSA-N 1 1 366.215 2.264 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(OCCO)CCOCC2)c1 ZINC000800311357 674041054 /nfs/dbraw/zinc/04/10/54/674041054.db2.gz RWUOZJRSAFRDAY-UHFFFAOYSA-N 1 1 374.275 2.111 20 10 FECDMO CC(C)[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+]1CCOCC1 ZINC000045634563 540219114 /nfs/dbraw/zinc/21/91/14/540219114.db2.gz MSMCSPNLWZSROO-LJQANCHMSA-N 1 1 362.518 2.251 20 10 FECDMO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000824451301 675603803 /nfs/dbraw/zinc/60/38/03/675603803.db2.gz RPCIVUFWJRBAJY-NSHDSACASA-N 1 1 355.232 2.429 20 10 FECDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000824451301 675603804 /nfs/dbraw/zinc/60/38/04/675603804.db2.gz RPCIVUFWJRBAJY-NSHDSACASA-N 1 1 355.232 2.429 20 10 FECDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000826130018 675682855 /nfs/dbraw/zinc/68/28/55/675682855.db2.gz CVXUAHVAUNYYHU-LLVKDONJSA-N 1 1 360.273 2.493 20 10 FECDMO COc1ccc(N2CCC([N@@H+](C)Cc3cc(=O)n4nccc4[nH]3)CC2)cc1 ZINC000072801399 541868036 /nfs/dbraw/zinc/86/80/36/541868036.db2.gz HAEBTJSPGQHJCC-UHFFFAOYSA-N 1 1 367.453 2.132 20 10 FECDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801511146 674132862 /nfs/dbraw/zinc/13/28/62/674132862.db2.gz PRNGQIJUOKZSGA-KRWDZBQOSA-N 1 1 353.532 2.245 20 10 FECDMO CS(=O)(=O)N1CC[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)C1 ZINC000801522977 674133622 /nfs/dbraw/zinc/13/36/22/674133622.db2.gz HXWCDPYNNJSBKZ-OAHLLOKOSA-N 1 1 364.467 2.269 20 10 FECDMO COc1ccc(N2CCCN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000079618379 542532199 /nfs/dbraw/zinc/53/21/99/542532199.db2.gz DWCGJDLYJWTOML-QGZVFWFLSA-N 1 1 372.513 2.401 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1 ZINC000090657767 542787778 /nfs/dbraw/zinc/78/77/78/542787778.db2.gz CBKPJVLOQUFEAE-MOPGFXCFSA-N 1 1 360.502 2.147 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1 ZINC000090657767 542787781 /nfs/dbraw/zinc/78/77/81/542787781.db2.gz CBKPJVLOQUFEAE-MOPGFXCFSA-N 1 1 360.502 2.147 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)c1 ZINC000092673193 542880317 /nfs/dbraw/zinc/88/03/17/542880317.db2.gz UCQFFMXZQKRITF-INIZCTEOSA-N 1 1 350.484 2.331 20 10 FECDMO CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109770508 543338576 /nfs/dbraw/zinc/33/85/76/543338576.db2.gz SAWSJQARRAFMSP-UHFFFAOYSA-N 1 1 364.467 2.153 20 10 FECDMO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000124586201 543830998 /nfs/dbraw/zinc/83/09/98/543830998.db2.gz LOZMJZCDJZSVCA-ARGQNCHBSA-N 1 1 357.498 2.478 20 10 FECDMO Cc1c(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cnn1C ZINC000134264343 544301297 /nfs/dbraw/zinc/30/12/97/544301297.db2.gz IKEABNDOEKTZSZ-HNNXBMFYSA-N 1 1 362.861 2.482 20 10 FECDMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1ccc(O)c(O)c1 ZINC000158958909 545909698 /nfs/dbraw/zinc/90/96/98/545909698.db2.gz PAVTWUKLAMXATN-KRWDZBQOSA-N 1 1 356.422 2.005 20 10 FECDMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1ccc(O)c(O)c1 ZINC000158958909 545909700 /nfs/dbraw/zinc/90/97/00/545909700.db2.gz PAVTWUKLAMXATN-KRWDZBQOSA-N 1 1 356.422 2.005 20 10 FECDMO O=C1NC[C@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)CCN12 ZINC000183121315 547605439 /nfs/dbraw/zinc/60/54/39/547605439.db2.gz OLIPKARJWQXEAO-KRWDZBQOSA-N 1 1 353.422 2.181 20 10 FECDMO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(F)cc1O ZINC000185685482 548018964 /nfs/dbraw/zinc/01/89/64/548018964.db2.gz BBPGAJKZSGVOMP-SECBINFHSA-N 1 1 370.368 2.496 20 10 FECDMO CCOC(=O)c1nn(C)cc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000186157979 548092511 /nfs/dbraw/zinc/09/25/11/548092511.db2.gz GTRNJJHIJKFHMI-QGZVFWFLSA-N 1 1 373.453 2.484 20 10 FECDMO CCOC(=O)c1nn(C)cc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000186157979 548092516 /nfs/dbraw/zinc/09/25/16/548092516.db2.gz GTRNJJHIJKFHMI-QGZVFWFLSA-N 1 1 373.453 2.484 20 10 FECDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190313659 548322974 /nfs/dbraw/zinc/32/29/74/548322974.db2.gz MKZRMQJMNSBUBJ-NRFANRHFSA-N 1 1 370.449 2.190 20 10 FECDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000194933050 548553416 /nfs/dbraw/zinc/55/34/16/548553416.db2.gz UMQXEOTULUFNLZ-GASCZTMLSA-N 1 1 366.481 2.142 20 10 FECDMO C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000194933050 548553420 /nfs/dbraw/zinc/55/34/20/548553420.db2.gz UMQXEOTULUFNLZ-GASCZTMLSA-N 1 1 366.481 2.142 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000245608175 548956913 /nfs/dbraw/zinc/95/69/13/548956913.db2.gz ACYXHKRKNQRQQJ-BFYDXBDKSA-N 1 1 364.486 2.483 20 10 FECDMO Cc1cc(C(=O)NCc2c[nH+]c(N(C)C)n2C)c(C)n1-c1ccccn1 ZINC000265154001 550006524 /nfs/dbraw/zinc/00/65/24/550006524.db2.gz ZJAQICHNJHVURY-UHFFFAOYSA-N 1 1 352.442 2.219 20 10 FECDMO CCCOc1ccc(C[N@@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000271040487 550334210 /nfs/dbraw/zinc/33/42/10/550334210.db2.gz NTSSZQGUTSEISN-MRXNPFEDSA-N 1 1 371.499 2.207 20 10 FECDMO C[N@H+]1CC[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000272594539 550459876 /nfs/dbraw/zinc/45/98/76/550459876.db2.gz IEZCHTQVWBJILJ-JQVKTCLLSA-N 1 1 355.482 2.089 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)CCCOC(C)C)CC2)cc1 ZINC000273046366 550482057 /nfs/dbraw/zinc/48/20/57/550482057.db2.gz JPPYOHPGJZMJJT-UHFFFAOYSA-N 1 1 363.502 2.139 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278143710 550754152 /nfs/dbraw/zinc/75/41/52/550754152.db2.gz BJEYLRAKHNKVCF-GWCFXTLKSA-N 1 1 350.293 2.197 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000278520240 550794997 /nfs/dbraw/zinc/79/49/97/550794997.db2.gz RWLWPOKKQLMKGB-AAEUAGOBSA-N 1 1 351.403 2.046 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@](C)(OC)CC1)cc2=O ZINC000280572750 551009075 /nfs/dbraw/zinc/00/90/75/551009075.db2.gz SDJATWKKKYBQJI-GOSISDBHSA-N 1 1 362.430 2.003 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282072908 551176940 /nfs/dbraw/zinc/17/69/40/551176940.db2.gz WXOOUSFYWYHUHI-UHFFFAOYSA-N 1 1 362.518 2.340 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000289273723 552293376 /nfs/dbraw/zinc/29/33/76/552293376.db2.gz GNKWEHWKYXXUKY-QWRGUYRKSA-N 1 1 364.320 2.302 20 10 FECDMO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](C)c2cc(F)ccc2O)CC1 ZINC000296249376 553129253 /nfs/dbraw/zinc/12/92/53/553129253.db2.gz CWFKIZRYWZPQGB-MCFWBGNESA-N 1 1 357.447 2.369 20 10 FECDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](N4CCCC4=O)C3)cc2)CC1 ZINC000296331699 553142668 /nfs/dbraw/zinc/14/26/68/553142668.db2.gz PITORTPBOLHVPI-IBGZPJMESA-N 1 1 357.498 2.499 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000297426811 553291053 /nfs/dbraw/zinc/29/10/53/553291053.db2.gz UYZGLOFPXSDFHA-DNOWBOINSA-N 1 1 369.483 2.433 20 10 FECDMO CCCC(=O)N1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000363615326 555147958 /nfs/dbraw/zinc/14/79/58/555147958.db2.gz HGQOHCRCPCNHOU-UHFFFAOYSA-N 1 1 374.529 2.045 20 10 FECDMO CCCC(=O)N1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000363615326 555147961 /nfs/dbraw/zinc/14/79/61/555147961.db2.gz HGQOHCRCPCNHOU-UHFFFAOYSA-N 1 1 374.529 2.045 20 10 FECDMO COc1cccc(C[NH2+]Cc2nnc3n2C[C@H](C(F)(F)F)CC3)c1O ZINC000364355166 555297692 /nfs/dbraw/zinc/29/76/92/555297692.db2.gz BXHXILAHVDUWIK-LLVKDONJSA-N 1 1 356.348 2.407 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2cccnc2-n2ccnc2)ccc1[N+](=O)[O-] ZINC000364617606 555353869 /nfs/dbraw/zinc/35/38/69/555353869.db2.gz LQMIVIXNVPHASB-UHFFFAOYSA-N 1 1 355.354 2.180 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000368972678 556464146 /nfs/dbraw/zinc/46/41/46/556464146.db2.gz HHFNGFVFLXDFEA-DUFXMDAXSA-N 1 1 369.259 2.249 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000368972678 556464148 /nfs/dbraw/zinc/46/41/48/556464148.db2.gz HHFNGFVFLXDFEA-DUFXMDAXSA-N 1 1 369.259 2.249 20 10 FECDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CCN2C1=O ZINC000369438827 556600871 /nfs/dbraw/zinc/60/08/71/556600871.db2.gz NDDKVBOGCJXTOW-SFHVURJKSA-N 1 1 356.470 2.145 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)c1 ZINC000369517454 556617606 /nfs/dbraw/zinc/61/76/06/556617606.db2.gz GUUZLBUCOFTISG-CYBMUJFWSA-N 1 1 358.442 2.205 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c1O ZINC000370355188 556849390 /nfs/dbraw/zinc/84/93/90/556849390.db2.gz LLOAGWAXABKMCE-SJORKVTESA-N 1 1 350.434 2.155 20 10 FECDMO COC(=O)CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372058989 557368672 /nfs/dbraw/zinc/36/86/72/557368672.db2.gz XLTGJIYJQCMMIC-OAHLLOKOSA-N 1 1 368.861 2.470 20 10 FECDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000373464060 557698799 /nfs/dbraw/zinc/69/87/99/557698799.db2.gz CNGJJBBTPPPKGS-PBHICJAKSA-N 1 1 355.438 2.205 20 10 FECDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000373464060 557698801 /nfs/dbraw/zinc/69/88/01/557698801.db2.gz CNGJJBBTPPPKGS-PBHICJAKSA-N 1 1 355.438 2.205 20 10 FECDMO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000373912488 557785504 /nfs/dbraw/zinc/78/55/04/557785504.db2.gz VKBGVVFTOUFJBV-SJCJKPOMSA-N 1 1 350.371 2.084 20 10 FECDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000373912488 557785508 /nfs/dbraw/zinc/78/55/08/557785508.db2.gz VKBGVVFTOUFJBV-SJCJKPOMSA-N 1 1 350.371 2.084 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)cc1OC ZINC000374786069 557931115 /nfs/dbraw/zinc/93/11/15/557931115.db2.gz YBYXJMGSUCXXHK-ZDUSSCGKSA-N 1 1 374.441 2.471 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccn(C)n2)C1 ZINC000521755627 562183109 /nfs/dbraw/zinc/18/31/09/562183109.db2.gz VLELIERTGQWYDZ-UHFFFAOYSA-N 1 1 365.481 2.458 20 10 FECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000443989958 560098550 /nfs/dbraw/zinc/09/85/50/560098550.db2.gz NIFVCQSNRVBKHM-KRWDZBQOSA-N 1 1 368.525 2.476 20 10 FECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000443989958 560098551 /nfs/dbraw/zinc/09/85/51/560098551.db2.gz NIFVCQSNRVBKHM-KRWDZBQOSA-N 1 1 368.525 2.476 20 10 FECDMO Cn1cncc1CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108069 674405094 /nfs/dbraw/zinc/40/50/94/674405094.db2.gz QUIMGIAVVFFWIZ-HNNXBMFYSA-N 1 1 362.861 2.102 20 10 FECDMO CCC[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1O ZINC000736471778 598524156 /nfs/dbraw/zinc/52/41/56/598524156.db2.gz WIJCIPPDJFZGND-UHFFFAOYSA-N 1 1 366.425 2.423 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000808427491 674458624 /nfs/dbraw/zinc/45/86/24/674458624.db2.gz UERSWWGLDOBSAC-NSHDSACASA-N 1 1 362.289 2.378 20 10 FECDMO C[N@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1ccccc1O ZINC000821618051 599638573 /nfs/dbraw/zinc/63/85/73/599638573.db2.gz OGZCXIYCNZPBLQ-UHFFFAOYSA-N 1 1 363.381 2.254 20 10 FECDMO C[N@@H+](Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)Cc1ccccc1O ZINC000821618051 599638574 /nfs/dbraw/zinc/63/85/74/599638574.db2.gz OGZCXIYCNZPBLQ-UHFFFAOYSA-N 1 1 363.381 2.254 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821611013 607114613 /nfs/dbraw/zinc/11/46/13/607114613.db2.gz NQMITTMBMZSSNS-UHFFFAOYSA-N 1 1 364.453 2.335 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1F ZINC000814171319 674824151 /nfs/dbraw/zinc/82/41/51/674824151.db2.gz KEPNGZRKTWOICA-OAHLLOKOSA-N 1 1 357.495 2.138 20 10 FECDMO Cc1cc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)ccc1N(C)C ZINC000815116467 674920868 /nfs/dbraw/zinc/92/08/68/674920868.db2.gz ORNCTJISBYCALD-QGZVFWFLSA-N 1 1 353.532 2.164 20 10 FECDMO CNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816537661 675063628 /nfs/dbraw/zinc/06/36/28/675063628.db2.gz MWMKQIAISKNLET-UHFFFAOYSA-N 1 1 358.822 2.383 20 10 FECDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C(=O)N1c1cnn(C)c1 ZINC000816554660 675064836 /nfs/dbraw/zinc/06/48/36/675064836.db2.gz FLMNALKEVJYSFJ-LKFCYVNXSA-N 1 1 352.797 2.202 20 10 FECDMO Cn1ccnc1CN1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1=O ZINC000816566869 675065532 /nfs/dbraw/zinc/06/55/32/675065532.db2.gz JPAKFFRYVNCFRR-CQSZACIVSA-N 1 1 366.824 2.199 20 10 FECDMO CC(C)[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H](O)CO ZINC000817417639 675131326 /nfs/dbraw/zinc/13/13/26/675131326.db2.gz MKQQRBCVYPSOBD-INIZCTEOSA-N 1 1 351.447 2.149 20 10 FECDMO CC(C)[C@H](CNC(=O)NCCCSc1nccs1)[NH+]1CCOCC1 ZINC000151956935 672172446 /nfs/dbraw/zinc/17/24/46/672172446.db2.gz HSQSPLNVLLTLDU-AWEZNQCLSA-N 1 1 372.560 2.281 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1O ZINC000159533987 672282949 /nfs/dbraw/zinc/28/29/49/672282949.db2.gz PUTMESBZBLWACS-UWVGGRQHSA-N 1 1 357.248 2.249 20 10 FECDMO COc1cc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164012371 672311733 /nfs/dbraw/zinc/31/17/33/672311733.db2.gz UFHVYOLMFVGPQK-AWEZNQCLSA-N 1 1 370.515 2.212 20 10 FECDMO COCCCS(=O)(=O)NCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000747530432 673932019 /nfs/dbraw/zinc/93/20/19/673932019.db2.gz VRBKUOBGMOPBPF-UHFFFAOYSA-N 1 1 370.515 2.093 20 10 FECDMO CC[N@H+](Cc1ccc(Br)cc1O)[C@@H](C)CS(C)(=O)=O ZINC000824808536 675622720 /nfs/dbraw/zinc/62/27/20/675622720.db2.gz KWKZQJIATMWXHV-JTQLQIEISA-N 1 1 350.278 2.410 20 10 FECDMO CC[N@@H+](Cc1ccc(Br)cc1O)[C@@H](C)CS(C)(=O)=O ZINC000824808536 675622722 /nfs/dbraw/zinc/62/27/22/675622722.db2.gz KWKZQJIATMWXHV-JTQLQIEISA-N 1 1 350.278 2.410 20 10 FECDMO COc1cccc(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1O ZINC000824832336 675624374 /nfs/dbraw/zinc/62/43/74/675624374.db2.gz XTQWDZMLISSEME-WCQYABFASA-N 1 1 358.360 2.243 20 10 FECDMO CCN(C)c1ccc(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1 ZINC000830461673 677041092 /nfs/dbraw/zinc/04/10/92/677041092.db2.gz CTSHYFSSIIGTDQ-KRWDZBQOSA-N 1 1 351.491 2.460 20 10 FECDMO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000761123400 680711870 /nfs/dbraw/zinc/71/18/70/680711870.db2.gz ILEYGKQZBAEPMS-GJZGRUSLSA-N 1 1 363.845 2.437 20 10 FECDMO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCc2cc(Br)ccc21 ZINC000662416884 678618521 /nfs/dbraw/zinc/61/85/21/678618521.db2.gz IVKUWLXMNJCEKM-LLVKDONJSA-N 1 1 361.243 2.452 20 10 FECDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000765514467 680844674 /nfs/dbraw/zinc/84/46/74/680844674.db2.gz LUKJVXSAPLFUML-LBPRGKRZSA-N 1 1 356.264 2.438 20 10 FECDMO C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000840832641 680845674 /nfs/dbraw/zinc/84/56/74/680845674.db2.gz YTCLILZUHIURMV-HNNXBMFYSA-N 1 1 367.921 2.493 20 10 FECDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3c(O)cc(C)cc3Cl)C2)nn1 ZINC000840938814 680855130 /nfs/dbraw/zinc/85/51/30/680855130.db2.gz HJIKPTRAYSLTRO-NSHDSACASA-N 1 1 350.806 2.179 20 10 FECDMO COC(=O)CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C[C@@H]1CCCO1 ZINC000750819368 680134552 /nfs/dbraw/zinc/13/45/52/680134552.db2.gz ADYQPKVOLOAHPE-HNNXBMFYSA-N 1 1 353.390 2.278 20 10 FECDMO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(F)cc(F)c1O ZINC000756731021 680495079 /nfs/dbraw/zinc/49/50/79/680495079.db2.gz CBZSMABFUHGMRW-QMTHXVAHSA-N 1 1 350.369 2.250 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000756739566 680495689 /nfs/dbraw/zinc/49/56/89/680495689.db2.gz OSIMYYKOWIFDNW-IACUBPJLSA-N 1 1 355.456 2.185 20 10 FECDMO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(F)cc(F)c1O ZINC000756840211 680500952 /nfs/dbraw/zinc/50/09/52/680500952.db2.gz URYNHYBFDIUHIA-AMJWSMQMSA-N 1 1 350.369 2.249 20 10 FECDMO COc1cc(Br)cc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1O ZINC000841892037 680916852 /nfs/dbraw/zinc/91/68/52/680916852.db2.gz SAFFZOWGEXJDAH-RYUDHWBXSA-N 1 1 373.291 2.050 20 10 FECDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000842643794 680956691 /nfs/dbraw/zinc/95/66/91/680956691.db2.gz OXWFNCYRCBSSDO-INIZCTEOSA-N 1 1 353.344 2.441 20 10 FECDMO Oc1c(Br)cc(Br)cc1CN1CC[NH2+]CC1 ZINC000843045332 680984668 /nfs/dbraw/zinc/98/46/68/680984668.db2.gz NNABFEFMMXLBQP-UHFFFAOYSA-N 1 1 350.054 2.322 20 10 FECDMO CN(C)c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC000843123585 680989034 /nfs/dbraw/zinc/98/90/34/680989034.db2.gz SDHPHSXIVXLNCB-MRXNPFEDSA-N 1 1 356.436 2.251 20 10 FECDMO CCC(=O)N[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771054679 681039440 /nfs/dbraw/zinc/03/94/40/681039440.db2.gz VKAYLDABBAMSPR-DOMZBBRYSA-N 1 1 367.877 2.041 20 10 FECDMO CCC(C)(C)NC(=S)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000774166416 681171213 /nfs/dbraw/zinc/17/12/13/681171213.db2.gz MZAQVYHZBWZDNZ-UHFFFAOYSA-N 1 1 364.559 2.470 20 10 FECDMO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2n[nH]c(C)n2)c1O ZINC000848543475 681574938 /nfs/dbraw/zinc/57/49/38/681574938.db2.gz FNOJIFXYELJZDL-MRVPVSSYSA-N 1 1 355.236 2.483 20 10 FECDMO COc1cc(Br)cc([C@@H](C)[NH2+]CCc2nnc(C)[nH]2)c1O ZINC000848543475 681574945 /nfs/dbraw/zinc/57/49/45/681574945.db2.gz FNOJIFXYELJZDL-MRVPVSSYSA-N 1 1 355.236 2.483 20 10 FECDMO COCC(=O)NC1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781897065 681986258 /nfs/dbraw/zinc/98/62/58/681986258.db2.gz CERYSNWTWHLWJE-UHFFFAOYSA-N 1 1 371.275 2.190 20 10 FECDMO Cc1cc(Br)cc(CN2CC[N@@H+](CCO)C(C)(C)C2)c1O ZINC000783713360 682168622 /nfs/dbraw/zinc/16/86/22/682168622.db2.gz ANTVKKHRXWTEKQ-UHFFFAOYSA-N 1 1 357.292 2.352 20 10 FECDMO Cc1cc(C[N@@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000853564643 682434849 /nfs/dbraw/zinc/43/48/49/682434849.db2.gz QZJXGVFDEXYRLO-CQSZACIVSA-N 1 1 354.516 2.464 20 10 FECDMO Cc1cc(C[N@H+]2CCN(S(C)(=O)=O)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000853564643 682434853 /nfs/dbraw/zinc/43/48/53/682434853.db2.gz QZJXGVFDEXYRLO-CQSZACIVSA-N 1 1 354.516 2.464 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000793222789 682873805 /nfs/dbraw/zinc/87/38/05/682873805.db2.gz DSTDKWFMCWDSNG-SNVBAGLBSA-N 1 1 355.391 2.312 20 10 FECDMO COc1ccc(O)c(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000793267667 682876582 /nfs/dbraw/zinc/87/65/82/682876582.db2.gz URUMKFOJUGQFQW-OAHLLOKOSA-N 1 1 365.227 2.480 20 10 FECDMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@@H]3CCN(S(C)(=O)=O)C3)c2c1 ZINC000793565820 682896012 /nfs/dbraw/zinc/89/60/12/682896012.db2.gz FPOIXTJIHLSQLT-CQSZACIVSA-N 1 1 364.467 2.020 20 10 FECDMO C[NH+](C)Cc1cnc(CNCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000796265804 683147278 /nfs/dbraw/zinc/14/72/78/683147278.db2.gz MBGCHGBXAUZIGS-UHFFFAOYSA-N 1 1 364.490 2.470 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC([N@H+]3CCCOCC3)CC2)c1O ZINC000931288834 684255958 /nfs/dbraw/zinc/25/59/58/684255958.db2.gz VKSGYNSCWVFLME-UHFFFAOYSA-N 1 1 350.434 2.421 20 10 FECDMO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000872255107 684932443 /nfs/dbraw/zinc/93/24/43/684932443.db2.gz PKVMKARPQMVWIH-YUTCNCBUSA-N 1 1 372.252 2.066 20 10 FECDMO COCC[NH+]1CCC([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882923982 687528641 /nfs/dbraw/zinc/52/86/41/687528641.db2.gz RZCHEZUZWGTKPE-UHFFFAOYSA-N 1 1 361.255 2.494 20 10 FECDMO C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000883371606 687616054 /nfs/dbraw/zinc/61/60/54/687616054.db2.gz QVGYYNAQUISUPU-NVXWUHKLSA-N 1 1 367.921 2.493 20 10 FECDMO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886648330 688286598 /nfs/dbraw/zinc/28/65/98/688286598.db2.gz QHTHFXBUXULJOF-LBPRGKRZSA-N 1 1 352.431 2.333 20 10 FECDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCc2cccc(Cl)c2O)cn1 ZINC000890761406 688962919 /nfs/dbraw/zinc/96/29/19/688962919.db2.gz QMFWOYONBXTQHE-LSDHHAIUSA-N 1 1 362.861 2.131 20 10 FECDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894401825 689525015 /nfs/dbraw/zinc/52/50/15/689525015.db2.gz HKIQXIAKMUDZPR-OAHLLOKOSA-N 1 1 363.332 2.337 20 10 FECDMO COc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)c(O)c1OC ZINC000894426683 689529868 /nfs/dbraw/zinc/52/98/68/689529868.db2.gz BIFSJCCTYBJSAH-CQSZACIVSA-N 1 1 352.431 2.462 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1 ZINC000903153353 690857067 /nfs/dbraw/zinc/85/70/67/690857067.db2.gz FPWHEAVRWLITDS-DNOWBOINSA-N 1 1 369.483 2.433 20 10 FECDMO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092071195 542842606 /nfs/dbraw/zinc/84/26/06/542842606.db2.gz YVLPQLLTAJOYNS-LJQANCHMSA-N 1 1 363.527 2.333 20 10 FECDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092011059 542837950 /nfs/dbraw/zinc/83/79/50/542837950.db2.gz XJGKEKJYLPDZAY-QUCCMNQESA-N 1 1 370.497 2.202 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)CS(C)(=O)=O ZINC000093389944 542930528 /nfs/dbraw/zinc/93/05/28/542930528.db2.gz FFPMGRSCZFWAAN-SNVBAGLBSA-N 1 1 350.278 2.410 20 10 FECDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)CS(C)(=O)=O ZINC000093389944 542930532 /nfs/dbraw/zinc/93/05/32/542930532.db2.gz FFPMGRSCZFWAAN-SNVBAGLBSA-N 1 1 350.278 2.410 20 10 FECDMO C[N@@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)Cc1ccccc1O ZINC000111235027 543388652 /nfs/dbraw/zinc/38/86/52/543388652.db2.gz RIGMWBNCNFJJHK-UHFFFAOYSA-N 1 1 367.449 2.267 20 10 FECDMO CCC[N@@H+](Cc1cc(Br)cc(C)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000802657106 674190307 /nfs/dbraw/zinc/19/03/07/674190307.db2.gz ZVDDZIOFCUNQGK-ZDUSSCGKSA-N 1 1 369.259 2.432 20 10 FECDMO O=C(C[N@H+]1CCC2(CCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000122930686 543732137 /nfs/dbraw/zinc/73/21/37/543732137.db2.gz OZNMYWVSNJCOHR-UHFFFAOYSA-N 1 1 361.461 2.155 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](Cc1ccncc1)C1CC1)cc2=O ZINC000124917399 543851154 /nfs/dbraw/zinc/85/11/54/543851154.db2.gz KUQAOWNIWHOORF-UHFFFAOYSA-N 1 1 367.409 2.171 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](Cc1ccncc1)C1CC1)cc2=O ZINC000124917399 543851157 /nfs/dbraw/zinc/85/11/57/543851157.db2.gz KUQAOWNIWHOORF-UHFFFAOYSA-N 1 1 367.409 2.171 20 10 FECDMO C[NH+]1CCC(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000154018168 544852895 /nfs/dbraw/zinc/85/28/95/544852895.db2.gz GYDAXWIOBFAVMI-KRWDZBQOSA-N 1 1 365.905 2.468 20 10 FECDMO C[C@@](O)(C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000804461350 674288133 /nfs/dbraw/zinc/28/81/33/674288133.db2.gz XNBPKCPMTLPCJQ-QAPCUYQASA-N 1 1 352.862 2.287 20 10 FECDMO O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000805180778 674324318 /nfs/dbraw/zinc/32/43/18/674324318.db2.gz CQRFHLQDLCMRJY-NSHDSACASA-N 1 1 368.275 2.438 20 10 FECDMO COc1cc(O)c(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1OC ZINC000159954699 545994873 /nfs/dbraw/zinc/99/48/73/545994873.db2.gz AKSAZGYUSOYLJT-INIZCTEOSA-N 1 1 356.422 2.473 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1OC ZINC000159954699 545994879 /nfs/dbraw/zinc/99/48/79/545994879.db2.gz AKSAZGYUSOYLJT-INIZCTEOSA-N 1 1 356.422 2.473 20 10 FECDMO COc1ccc(N2CC[NH+](CCCNCc3ccc(CO)o3)CC2)cc1 ZINC000174248919 546294007 /nfs/dbraw/zinc/29/40/07/546294007.db2.gz BCLDBRNWIXAWGP-UHFFFAOYSA-N 1 1 359.470 2.082 20 10 FECDMO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)c(C)n1-c1ccccn1 ZINC000181365828 547300865 /nfs/dbraw/zinc/30/08/65/547300865.db2.gz GHMBUIFNHPOYBF-SFHVURJKSA-N 1 1 364.453 2.009 20 10 FECDMO C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1[O-] ZINC000184900263 547896104 /nfs/dbraw/zinc/89/61/04/547896104.db2.gz FGHQFNVTNODIIH-CYBMUJFWSA-N 1 1 356.308 2.443 20 10 FECDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000184968548 547909035 /nfs/dbraw/zinc/90/90/35/547909035.db2.gz CWQSZRSOBALOIB-HNNXBMFYSA-N 1 1 356.470 2.398 20 10 FECDMO C[C@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(F)cc1O ZINC000185339729 547973196 /nfs/dbraw/zinc/97/31/96/547973196.db2.gz YNTNVILJAGVJAP-ZDUSSCGKSA-N 1 1 372.444 2.479 20 10 FECDMO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185391572 547978909 /nfs/dbraw/zinc/97/89/09/547978909.db2.gz IPKQGWXNBDDRKF-OLZOCXBDSA-N 1 1 356.308 2.441 20 10 FECDMO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@@H+](C)CCOC)ccc21 ZINC000490222387 561428909 /nfs/dbraw/zinc/42/89/09/561428909.db2.gz DRHGSIXXEFRMFS-UHFFFAOYSA-N 1 1 361.486 2.213 20 10 FECDMO CC[N@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1ccncc1 ZINC000267919933 550035329 /nfs/dbraw/zinc/03/53/29/550035329.db2.gz QGKNFPYIVGTSBC-UHFFFAOYSA-N 1 1 368.481 2.261 20 10 FECDMO CC[N@@H+](CC(=O)N1CCN(c2ccc(OC)cc2)CC1)Cc1ccncc1 ZINC000267919933 550035332 /nfs/dbraw/zinc/03/53/32/550035332.db2.gz QGKNFPYIVGTSBC-UHFFFAOYSA-N 1 1 368.481 2.261 20 10 FECDMO Oc1cc2c(cc1C[NH+]1CCN(c3nc(F)c(F)cc3F)CC1)OCO2 ZINC000277698326 550703282 /nfs/dbraw/zinc/70/32/82/550703282.db2.gz QGYAGDYWVQFUJF-UHFFFAOYSA-N 1 1 367.327 2.255 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc1[N+](=O)[O-] ZINC000278327991 550773432 /nfs/dbraw/zinc/77/34/32/550773432.db2.gz YWSBDLASVAKHLR-ZDUSSCGKSA-N 1 1 373.413 2.226 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc1[N+](=O)[O-] ZINC000278327991 550773434 /nfs/dbraw/zinc/77/34/34/550773434.db2.gz YWSBDLASVAKHLR-ZDUSSCGKSA-N 1 1 373.413 2.226 20 10 FECDMO COc1c(O)c(C[NH2+]CCOc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000278614473 550804609 /nfs/dbraw/zinc/80/46/09/550804609.db2.gz FFUUMWVBOYKFDU-UHFFFAOYSA-N 1 1 362.338 2.206 20 10 FECDMO OCc1cn([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)nn1 ZINC000293581911 552837248 /nfs/dbraw/zinc/83/72/48/552837248.db2.gz HTWHEYALKMMEIR-CQSZACIVSA-N 1 1 367.247 2.076 20 10 FECDMO COC1CCN(c2ccc(C[N@H+](C)CCCN3CCN(C)CC3)cc2)CC1 ZINC000294879395 552941101 /nfs/dbraw/zinc/94/11/01/552941101.db2.gz FBMQCFKQVOJMBO-UHFFFAOYSA-N 1 1 374.573 2.371 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+](C)CCCN3CCN(C)CC3)cc2)CC1 ZINC000294879395 552941102 /nfs/dbraw/zinc/94/11/02/552941102.db2.gz FBMQCFKQVOJMBO-UHFFFAOYSA-N 1 1 374.573 2.371 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000297590273 553312845 /nfs/dbraw/zinc/31/28/45/553312845.db2.gz CERUPRJXFNFUST-OAQYLSRUSA-N 1 1 373.497 2.075 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@]3(C)[C@H](C1)C3(F)F)cc2=O ZINC000298234611 553401360 /nfs/dbraw/zinc/40/13/60/553401360.db2.gz HZXNJGZTRZSWOC-BLLLJJGKSA-N 1 1 366.368 2.089 20 10 FECDMO O=C1[C@H]([N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCN1C1CCOCC1 ZINC000363473061 555113817 /nfs/dbraw/zinc/11/38/17/555113817.db2.gz XTWLQQCXANBEQQ-RTBURBONSA-N 1 1 374.481 2.153 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000373893814 557781635 /nfs/dbraw/zinc/78/16/35/557781635.db2.gz ZGRBATWWLMJMEY-OCCSQVGLSA-N 1 1 363.414 2.190 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1OC ZINC000375407037 558021940 /nfs/dbraw/zinc/02/19/40/558021940.db2.gz VUVZHCALPPMZOJ-CLCXKQKWSA-N 1 1 351.443 2.161 20 10 FECDMO Cn1cc([C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@@H]2C(N)=O)cn1 ZINC000375517906 558041933 /nfs/dbraw/zinc/04/19/33/558041933.db2.gz BUNQFTUZKLTUGN-UXHICEINSA-N 1 1 367.497 2.111 20 10 FECDMO Cc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)c1O ZINC000377678688 558394895 /nfs/dbraw/zinc/39/48/95/558394895.db2.gz SNIWPODGLWBBPM-INIZCTEOSA-N 1 1 351.406 2.385 20 10 FECDMO Cc1cccc(C[N@H+]2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)c1O ZINC000377678688 558394897 /nfs/dbraw/zinc/39/48/97/558394897.db2.gz SNIWPODGLWBBPM-INIZCTEOSA-N 1 1 351.406 2.385 20 10 FECDMO Cc1cccc(C[N@@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)c1O ZINC000377678695 558394902 /nfs/dbraw/zinc/39/49/02/558394902.db2.gz SNIWPODGLWBBPM-MRXNPFEDSA-N 1 1 351.406 2.385 20 10 FECDMO Cc1cccc(C[N@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)c1O ZINC000377678695 558394903 /nfs/dbraw/zinc/39/49/03/558394903.db2.gz SNIWPODGLWBBPM-MRXNPFEDSA-N 1 1 351.406 2.385 20 10 FECDMO CC(=O)NCCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000443950233 560097137 /nfs/dbraw/zinc/09/71/37/560097137.db2.gz QOXYIXYWFGTARJ-UHFFFAOYSA-N 1 1 370.497 2.050 20 10 FECDMO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1)C1CC1 ZINC000808227173 674448023 /nfs/dbraw/zinc/44/80/23/674448023.db2.gz UZNGEETZUXBLNE-CQSZACIVSA-N 1 1 364.511 2.175 20 10 FECDMO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2c(O)ccc(Cl)c2F)NC(=O)NC1=O ZINC000809704732 674506323 /nfs/dbraw/zinc/50/63/23/674506323.db2.gz IUUWVINAOZFYLO-FVMDXXJSSA-N 1 1 355.797 2.137 20 10 FECDMO C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2c(O)ccc(Cl)c2F)NC(=O)NC1=O ZINC000809704732 674506325 /nfs/dbraw/zinc/50/63/25/674506325.db2.gz IUUWVINAOZFYLO-FVMDXXJSSA-N 1 1 355.797 2.137 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000809777655 674509478 /nfs/dbraw/zinc/50/94/78/674509478.db2.gz DDQXAFIYMLMQHP-ZDUSSCGKSA-N 1 1 351.403 2.047 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H](CCNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000809777655 674509479 /nfs/dbraw/zinc/50/94/79/674509479.db2.gz DDQXAFIYMLMQHP-ZDUSSCGKSA-N 1 1 351.403 2.047 20 10 FECDMO Cc1cccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1O ZINC000826298404 608590731 /nfs/dbraw/zinc/59/07/31/608590731.db2.gz RARAYXUBGYATHW-QGZVFWFLSA-N 1 1 351.410 2.454 20 10 FECDMO Oc1ccccc1C[N@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826511498 608872678 /nfs/dbraw/zinc/87/26/78/608872678.db2.gz SJDYTNDTDJKJMV-UHFFFAOYSA-N 1 1 364.453 2.280 20 10 FECDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000092217800 670736608 /nfs/dbraw/zinc/73/66/08/670736608.db2.gz SLYKMIGBMHGYSA-OAHLLOKOSA-N 1 1 355.276 2.451 20 10 FECDMO COC(=O)C[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267459 672121523 /nfs/dbraw/zinc/12/15/23/672121523.db2.gz FERGQRHNZXLYAT-DOMZBBRYSA-N 1 1 368.861 2.325 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1F ZINC000154081080 672210354 /nfs/dbraw/zinc/21/03/54/672210354.db2.gz MDXNTVPCLWPQQA-HNNXBMFYSA-N 1 1 357.495 2.186 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1F ZINC000154081080 672210356 /nfs/dbraw/zinc/21/03/56/672210356.db2.gz MDXNTVPCLWPQQA-HNNXBMFYSA-N 1 1 357.495 2.186 20 10 FECDMO C[N@@H+](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000154126820 672211194 /nfs/dbraw/zinc/21/11/94/672211194.db2.gz QJOYPVRGSIROAS-SJORKVTESA-N 1 1 364.511 2.337 20 10 FECDMO CC[N@H+]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000159678296 672284455 /nfs/dbraw/zinc/28/44/55/672284455.db2.gz GSMDZDMPMMGBTM-UHFFFAOYSA-N 1 1 362.543 2.477 20 10 FECDMO C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708124074 673064179 /nfs/dbraw/zinc/06/41/79/673064179.db2.gz BYCLOWORBWSHCJ-CYBMUJFWSA-N 1 1 351.672 2.210 20 10 FECDMO C[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726625588 673132864 /nfs/dbraw/zinc/13/28/64/673132864.db2.gz KCXQUQCQSHUEOJ-INIZCTEOSA-N 1 1 353.413 2.467 20 10 FECDMO C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000729683803 673243806 /nfs/dbraw/zinc/24/38/06/673243806.db2.gz BLIKACMPYBXPEA-UHFFFAOYSA-N 1 1 356.308 2.272 20 10 FECDMO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000819688899 675309301 /nfs/dbraw/zinc/30/93/01/675309301.db2.gz OZEUAEPIXIDGOA-INIZCTEOSA-N 1 1 358.511 2.275 20 10 FECDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000824242627 675591443 /nfs/dbraw/zinc/59/14/43/675591443.db2.gz RPZHBUNJRCECOX-QGZVFWFLSA-N 1 1 365.524 2.247 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000824583003 675611841 /nfs/dbraw/zinc/61/18/41/675611841.db2.gz HAKAFRIYXHGRBH-AWEZNQCLSA-N 1 1 357.292 2.400 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000824582621 675611995 /nfs/dbraw/zinc/61/19/95/675611995.db2.gz BKUFYIRQVDWSDE-AWEZNQCLSA-N 1 1 357.292 2.400 20 10 FECDMO Cc1cc([O-])c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1Cl ZINC000824638820 675614551 /nfs/dbraw/zinc/61/45/51/675614551.db2.gz DAUAJITXYLATED-UHFFFAOYSA-N 1 1 353.894 2.244 20 10 FECDMO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825519796 675657427 /nfs/dbraw/zinc/65/74/27/675657427.db2.gz MMVXHGCUWLDLPR-CYBMUJFWSA-N 1 1 354.248 2.191 20 10 FECDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000825519796 675657428 /nfs/dbraw/zinc/65/74/28/675657428.db2.gz MMVXHGCUWLDLPR-CYBMUJFWSA-N 1 1 354.248 2.191 20 10 FECDMO Oc1c(Br)cccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827699263 675773487 /nfs/dbraw/zinc/77/34/87/675773487.db2.gz FWGSBFBYTPSYFP-CQSZACIVSA-N 1 1 355.276 2.186 20 10 FECDMO Oc1c(Br)cccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000827699263 675773491 /nfs/dbraw/zinc/77/34/91/675773491.db2.gz FWGSBFBYTPSYFP-CQSZACIVSA-N 1 1 355.276 2.186 20 10 FECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC000830544623 677046459 /nfs/dbraw/zinc/04/64/59/677046459.db2.gz SAABHVDTGMFKHZ-AIANPOQGSA-N 1 1 350.846 2.019 20 10 FECDMO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000830544385 677046472 /nfs/dbraw/zinc/04/64/72/677046472.db2.gz KDCYIMGEDVIELZ-VWLOTQADSA-N 1 1 366.527 2.337 20 10 FECDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1O ZINC000761228891 680715819 /nfs/dbraw/zinc/71/58/19/680715819.db2.gz NVKMTURDKAYOGK-CQSZACIVSA-N 1 1 368.275 2.499 20 10 FECDMO C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cc(F)cc(F)c1O ZINC000840781465 680842367 /nfs/dbraw/zinc/84/23/67/680842367.db2.gz UNVVOTKDWMHGGJ-CYBMUJFWSA-N 1 1 356.413 2.202 20 10 FECDMO CCS(=O)(=O)CCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000840973822 680858052 /nfs/dbraw/zinc/85/80/52/680858052.db2.gz VZYVVFBTXRKWLN-UHFFFAOYSA-N 1 1 350.278 2.378 20 10 FECDMO COC(=O)[C@H]1CSCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000840977871 680858455 /nfs/dbraw/zinc/85/84/55/680858455.db2.gz NUEJRWUDGGFNRG-LLVKDONJSA-N 1 1 360.273 2.493 20 10 FECDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000840977871 680858457 /nfs/dbraw/zinc/85/84/57/680858457.db2.gz NUEJRWUDGGFNRG-LLVKDONJSA-N 1 1 360.273 2.493 20 10 FECDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000749792476 680075149 /nfs/dbraw/zinc/07/51/49/680075149.db2.gz LXSNKJUXGFEIGX-CYBMUJFWSA-N 1 1 360.435 2.415 20 10 FECDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754723367 680373191 /nfs/dbraw/zinc/37/31/91/680373191.db2.gz QZHVVRXSBFZMLQ-GJZGRUSLSA-N 1 1 350.459 2.072 20 10 FECDMO [NH3+]Cc1noc(CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 ZINC000842651232 680957089 /nfs/dbraw/zinc/95/70/89/680957089.db2.gz WESBUWDLVFSGDF-JXMROGBWSA-N 1 1 366.493 2.424 20 10 FECDMO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058170 681039743 /nfs/dbraw/zinc/03/97/43/681039743.db2.gz LWLMVXMDFDIMIJ-CJNGLKHVSA-N 1 1 351.878 2.078 20 10 FECDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058170 681039746 /nfs/dbraw/zinc/03/97/46/681039746.db2.gz LWLMVXMDFDIMIJ-CJNGLKHVSA-N 1 1 351.878 2.078 20 10 FECDMO Cc1nonc1CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000845833695 681155859 /nfs/dbraw/zinc/15/58/59/681155859.db2.gz MOKUWOKWIQBIBP-AWEZNQCLSA-N 1 1 364.833 2.060 20 10 FECDMO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000776812614 681438314 /nfs/dbraw/zinc/43/83/14/681438314.db2.gz LZHYTORMLJNIGL-KGLIPLIRSA-N 1 1 360.248 2.065 20 10 FECDMO CN(C)c1ccc(CN(C)S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)cc1 ZINC000913860268 685486815 /nfs/dbraw/zinc/48/68/15/685486815.db2.gz IRBMXCCQHFBMKY-SFHVURJKSA-N 1 1 351.516 2.000 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1 ZINC000850563692 681917370 /nfs/dbraw/zinc/91/73/70/681917370.db2.gz ZXEHJAYHWMMESE-ORAYPTAESA-N 1 1 351.443 2.397 20 10 FECDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000781921250 681989414 /nfs/dbraw/zinc/98/94/14/681989414.db2.gz RKNUCDWOQZHSKF-HNNXBMFYSA-N 1 1 368.499 2.227 20 10 FECDMO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790954144 682715643 /nfs/dbraw/zinc/71/56/43/682715643.db2.gz MLDRMQMNZCJYBD-UHFFFAOYSA-N 1 1 372.849 2.394 20 10 FECDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000790956980 682716015 /nfs/dbraw/zinc/71/60/15/682716015.db2.gz ZPQUVELQMYIHQP-SNVBAGLBSA-N 1 1 369.776 2.443 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1O ZINC000792186712 682795234 /nfs/dbraw/zinc/79/52/34/682795234.db2.gz PVULNNQXPOXAQP-ZDUSSCGKSA-N 1 1 369.259 2.360 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCSCC[C@H]3C)CC2)cc1 ZINC000794570061 682980313 /nfs/dbraw/zinc/98/03/13/682980313.db2.gz FIPDODWSVIECAB-MRXNPFEDSA-N 1 1 363.527 2.171 20 10 FECDMO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000798180815 683318336 /nfs/dbraw/zinc/31/83/36/683318336.db2.gz MLHSCGBQOALRPG-LBPRGKRZSA-N 1 1 359.392 2.226 20 10 FECDMO Oc1cccc(Br)c1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000862248527 683558520 /nfs/dbraw/zinc/55/85/20/683558520.db2.gz MAIAQJZICWQEKS-ZDUSSCGKSA-N 1 1 355.276 2.309 20 10 FECDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862349850 683575265 /nfs/dbraw/zinc/57/52/65/683575265.db2.gz UGZVQDXCUGGGMY-QWHCGFSZSA-N 1 1 374.275 2.001 20 10 FECDMO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000866440895 684105027 /nfs/dbraw/zinc/10/50/27/684105027.db2.gz VOFKTXJFQHIDFQ-VGMNWLOBSA-N 1 1 363.241 2.416 20 10 FECDMO CC[N@H+]1CCC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925289993 684547114 /nfs/dbraw/zinc/54/71/14/684547114.db2.gz AFRPUHABDJAXOT-CQSZACIVSA-N 1 1 351.834 2.294 20 10 FECDMO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000872255106 684932530 /nfs/dbraw/zinc/93/25/30/684932530.db2.gz PKVMKARPQMVWIH-BNOWGMLFSA-N 1 1 372.252 2.066 20 10 FECDMO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](OC)C1CCOCC1 ZINC000877598734 686419663 /nfs/dbraw/zinc/41/96/63/686419663.db2.gz KHGFLJKQXACFKK-SFHVURJKSA-N 1 1 351.443 2.199 20 10 FECDMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](OC)C1CCOCC1 ZINC000877598734 686419667 /nfs/dbraw/zinc/41/96/67/686419667.db2.gz KHGFLJKQXACFKK-SFHVURJKSA-N 1 1 351.443 2.199 20 10 FECDMO Cn1ncc(Cl)c1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324654 688232139 /nfs/dbraw/zinc/23/21/39/688232139.db2.gz BBAOBUHAOZZORI-UHFFFAOYSA-N 1 1 361.877 2.065 20 10 FECDMO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1c(O)cccc1F ZINC000886547797 688273537 /nfs/dbraw/zinc/27/35/37/688273537.db2.gz RQZYTTDDMGGVBB-JTQLQIEISA-N 1 1 366.405 2.446 20 10 FECDMO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1c(O)cccc1F ZINC000886629651 688284542 /nfs/dbraw/zinc/28/45/42/688284542.db2.gz KQYWRTVERAXJAU-VXGBXAGGSA-N 1 1 351.399 2.417 20 10 FECDMO COc1ccc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)c(O)c1OC ZINC000893614101 689375722 /nfs/dbraw/zinc/37/57/22/689375722.db2.gz PPHTVBMLAISXTA-HNNXBMFYSA-N 1 1 365.451 2.285 20 10 FECDMO COC(=O)c1c(C[N@@H+]2CCSC[C@H]2CCO)c2cc(F)ccc2n1C ZINC000894087613 689463580 /nfs/dbraw/zinc/46/35/80/689463580.db2.gz FBIXEAJTIJPSQM-CYBMUJFWSA-N 1 1 366.458 2.404 20 10 FECDMO COC(=O)c1c(C[N@H+]2CCSC[C@H]2CCO)c2cc(F)ccc2n1C ZINC000894087613 689463584 /nfs/dbraw/zinc/46/35/84/689463584.db2.gz FBIXEAJTIJPSQM-CYBMUJFWSA-N 1 1 366.458 2.404 20 10 FECDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896136950 689825484 /nfs/dbraw/zinc/82/54/84/689825484.db2.gz ADZUJBHLMDMTPL-GFCCVEGCSA-N 1 1 350.440 2.153 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)Cn1cccn1 ZINC000076118477 542234646 /nfs/dbraw/zinc/23/46/46/542234646.db2.gz BPRYGOLVXGNFHW-AWEZNQCLSA-N 1 1 354.248 2.234 20 10 FECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079550756 542526788 /nfs/dbraw/zinc/52/67/88/542526788.db2.gz FISHYYJQBJCORY-VQTJNVASSA-N 1 1 372.513 2.291 20 10 FECDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000247435530 549334048 /nfs/dbraw/zinc/33/40/48/549334048.db2.gz PAIFARKDSXDWPD-JWLNDWNSSA-N 1 1 357.498 2.335 20 10 FECDMO C[N@@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)Cc1ccccc1O ZINC000109773753 543338392 /nfs/dbraw/zinc/33/83/92/543338392.db2.gz BTGMYGFGGMTMPQ-KRWDZBQOSA-N 1 1 353.466 2.467 20 10 FECDMO COc1ccc(N2CCCN(C(=O)[C@@H](C)[NH+]3CCSCC3)CC2)cc1 ZINC000131329706 544186232 /nfs/dbraw/zinc/18/62/32/544186232.db2.gz JVURRGULVVMNNY-MRXNPFEDSA-N 1 1 363.527 2.171 20 10 FECDMO C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000137256541 544387745 /nfs/dbraw/zinc/38/77/45/544387745.db2.gz SXPFKGZIQOCROP-ICSRJNTNSA-N 1 1 372.513 2.149 20 10 FECDMO CCc1nc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc(C)[nH+]1 ZINC000804419198 674285595 /nfs/dbraw/zinc/28/55/95/674285595.db2.gz GMNWAEHXDFZANX-UHFFFAOYSA-N 1 1 360.483 2.194 20 10 FECDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(O)c2O)[C@H](C)C1 ZINC000179502234 546966808 /nfs/dbraw/zinc/96/68/08/546966808.db2.gz IAKXLEZDMKQBFD-GDBMZVCRSA-N 1 1 350.459 2.273 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000179859679 547021745 /nfs/dbraw/zinc/02/17/45/547021745.db2.gz ACYXHKRKNQRQQJ-ZOBUZTSGSA-N 1 1 364.486 2.483 20 10 FECDMO CS(=O)(=O)N1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000179903741 547026897 /nfs/dbraw/zinc/02/68/97/547026897.db2.gz JDXMSQMDEVTNKQ-UHFFFAOYSA-N 1 1 353.271 2.166 20 10 FECDMO CS(=O)(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000179903741 547026900 /nfs/dbraw/zinc/02/69/00/547026900.db2.gz JDXMSQMDEVTNKQ-UHFFFAOYSA-N 1 1 353.271 2.166 20 10 FECDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000183452208 547662504 /nfs/dbraw/zinc/66/25/04/547662504.db2.gz GWBGGPNTKKTZEP-FOIQADDNSA-N 1 1 370.449 2.046 20 10 FECDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000183452208 547662507 /nfs/dbraw/zinc/66/25/07/547662507.db2.gz GWBGGPNTKKTZEP-FOIQADDNSA-N 1 1 370.449 2.046 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+](CCO)CCOCC(F)(F)F)c1O ZINC000184691712 547866114 /nfs/dbraw/zinc/86/61/14/547866114.db2.gz UOOUBXBPTFASLR-UHFFFAOYSA-N 1 1 357.756 2.427 20 10 FECDMO COc1ccc(N2CC[NH+](Cc3cc(-c4cnn(C)c4)no3)CC2)cc1 ZINC000184973252 547910454 /nfs/dbraw/zinc/91/04/54/547910454.db2.gz XAQGSDIDZYXMNH-UHFFFAOYSA-N 1 1 353.426 2.406 20 10 FECDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000186147438 548091361 /nfs/dbraw/zinc/09/13/61/548091361.db2.gz LYIZAIWOFGFIDK-INIZCTEOSA-N 1 1 374.529 2.096 20 10 FECDMO Cc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c(C)n1-c1ccccn1 ZINC000188689944 548285295 /nfs/dbraw/zinc/28/52/95/548285295.db2.gz MTVJVMPNSJERMP-MRXNPFEDSA-N 1 1 370.497 2.406 20 10 FECDMO C[N@@H+](CCN1CCN(C(=O)Cc2ccc(N)cc2)CC1)Cc1ccccc1 ZINC000237137014 548802803 /nfs/dbraw/zinc/80/28/03/548802803.db2.gz RYFDLOLHMNZURK-UHFFFAOYSA-N 1 1 366.509 2.088 20 10 FECDMO CN1CC[N@@H+](CCCNC(=O)Cc2ccc(N)cc2)[C@H](c2ccccc2)C1 ZINC000269244899 550171942 /nfs/dbraw/zinc/17/19/42/550171942.db2.gz DBJVSZBLAMIXOS-NRFANRHFSA-N 1 1 366.509 2.306 20 10 FECDMO C[N@@H+]1CCN(CCCNC(=O)Cc2ccc(N)cc2)[C@H](c2ccccc2)C1 ZINC000269244899 550171944 /nfs/dbraw/zinc/17/19/44/550171944.db2.gz DBJVSZBLAMIXOS-NRFANRHFSA-N 1 1 366.509 2.306 20 10 FECDMO C[N@H+]1CCN(CCCNC(=O)Cc2ccc(N)cc2)[C@H](c2ccccc2)C1 ZINC000269244899 550171945 /nfs/dbraw/zinc/17/19/45/550171945.db2.gz DBJVSZBLAMIXOS-NRFANRHFSA-N 1 1 366.509 2.306 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccncc3C)CC2)cc1 ZINC000271168996 550347745 /nfs/dbraw/zinc/34/77/45/550347745.db2.gz XPGPUNPLLPGNSL-UHFFFAOYSA-N 1 1 369.469 2.342 20 10 FECDMO Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c(O)c1O ZINC000271320347 550364470 /nfs/dbraw/zinc/36/44/70/550364470.db2.gz XBAZNTLLGWVIGM-INIZCTEOSA-N 1 1 369.421 2.108 20 10 FECDMO Cc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c(O)c1O ZINC000271320347 550364472 /nfs/dbraw/zinc/36/44/72/550364472.db2.gz XBAZNTLLGWVIGM-INIZCTEOSA-N 1 1 369.421 2.108 20 10 FECDMO COc1cc(N2CC[NH+](Cc3c(C)n[nH]c3C)CC2)cc(OC)c1OC ZINC000273724549 550509223 /nfs/dbraw/zinc/50/92/23/550509223.db2.gz IWBMNNZLGHRQRI-UHFFFAOYSA-N 1 1 360.458 2.375 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1O ZINC000275140612 550570608 /nfs/dbraw/zinc/57/06/08/550570608.db2.gz VFNMZUUODIYUAJ-JTQLQIEISA-N 1 1 362.323 2.234 20 10 FECDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000277403460 550666278 /nfs/dbraw/zinc/66/62/78/550666278.db2.gz JZRMWFXIQDCPGP-QMTHXVAHSA-N 1 1 368.275 2.437 20 10 FECDMO CCc1[nH]ccc1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000284998657 551686412 /nfs/dbraw/zinc/68/64/12/551686412.db2.gz CYPATXFYZWHJFO-UHFFFAOYSA-N 1 1 356.470 2.138 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000288960814 552244047 /nfs/dbraw/zinc/24/40/47/552244047.db2.gz HEXNYJWKZFYQIG-QAPCUYQASA-N 1 1 373.497 2.120 20 10 FECDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)ccc1O ZINC000289271974 552293219 /nfs/dbraw/zinc/29/32/19/552293219.db2.gz GKXMTTJKMGAEBU-SWLSCSKDSA-N 1 1 355.276 2.450 20 10 FECDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1O ZINC000289369399 552308857 /nfs/dbraw/zinc/30/88/57/552308857.db2.gz LGUBVKHOJSTGLY-ZDUSSCGKSA-N 1 1 360.907 2.457 20 10 FECDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000290127894 552431320 /nfs/dbraw/zinc/43/13/20/552431320.db2.gz ZXJUZBLIBVDTAB-FQEVSTJZSA-N 1 1 363.477 2.352 20 10 FECDMO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000294666601 552925092 /nfs/dbraw/zinc/92/50/92/552925092.db2.gz ANIAYZAEKPXUAX-RUZDIDTESA-N 1 1 369.483 2.067 20 10 FECDMO Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1O ZINC000294675421 552925731 /nfs/dbraw/zinc/92/57/31/552925731.db2.gz AVQBZGUTVTXTLG-CABCVRRESA-N 1 1 355.276 2.368 20 10 FECDMO O=C(N[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccccc2O)CC1)C(F)(F)F ZINC000295080143 552956830 /nfs/dbraw/zinc/95/68/30/552956830.db2.gz RVSHZIKQFWEAFF-ZBFHGGJFSA-N 1 1 372.387 2.440 20 10 FECDMO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](C)c2cc(F)ccc2O)CC1 ZINC000296249369 553129389 /nfs/dbraw/zinc/12/93/89/553129389.db2.gz CWFKIZRYWZPQGB-FNODVLLQSA-N 1 1 357.447 2.369 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000298753592 553468581 /nfs/dbraw/zinc/46/85/81/553468581.db2.gz PXUOBURIVNYRHB-WMZOPIPTSA-N 1 1 373.497 2.074 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000298817888 553476701 /nfs/dbraw/zinc/47/67/01/553476701.db2.gz UFBHKLNADIQMLL-UHFFFAOYSA-N 1 1 372.469 2.184 20 10 FECDMO O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368619621 556365291 /nfs/dbraw/zinc/36/52/91/556365291.db2.gz QPYNJMGCDNCRRS-QWHCGFSZSA-N 1 1 374.268 2.361 20 10 FECDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368619621 556365293 /nfs/dbraw/zinc/36/52/93/556365293.db2.gz QPYNJMGCDNCRRS-QWHCGFSZSA-N 1 1 374.268 2.361 20 10 FECDMO COc1ccc(N2CCC(N(C)C(=O)NCC[N@@H+](C)C3CC3)CC2)cc1 ZINC000369245362 556547637 /nfs/dbraw/zinc/54/76/37/556547637.db2.gz XSJILROWNLATNH-UHFFFAOYSA-N 1 1 360.502 2.400 20 10 FECDMO COc1ccc(O)c(CNC(=O)[C@]2([NH+](C)C)CCOc3ccccc32)c1 ZINC000370191653 556806728 /nfs/dbraw/zinc/80/67/28/556806728.db2.gz DQZNNKUASTTYAV-FQEVSTJZSA-N 1 1 356.422 2.257 20 10 FECDMO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CSC[NH2+]1 ZINC000370781920 556966670 /nfs/dbraw/zinc/96/66/70/556966670.db2.gz RAYJDZSXYNWILZ-AWEZNQCLSA-N 1 1 357.426 2.036 20 10 FECDMO COC(=O)CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372058988 557368693 /nfs/dbraw/zinc/36/86/93/557368693.db2.gz XLTGJIYJQCMMIC-HNNXBMFYSA-N 1 1 368.861 2.470 20 10 FECDMO Cc1cc(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c(C)n1-c1ccccn1 ZINC000372712529 557544988 /nfs/dbraw/zinc/54/49/88/557544988.db2.gz HPJXKNMXDKPCOM-MRXNPFEDSA-N 1 1 356.470 2.018 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1O ZINC000372734332 557549949 /nfs/dbraw/zinc/54/99/49/557549949.db2.gz BKBUWYIAFAWRLD-OAHLLOKOSA-N 1 1 371.231 2.238 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1O ZINC000372734332 557549951 /nfs/dbraw/zinc/54/99/51/557549951.db2.gz BKBUWYIAFAWRLD-OAHLLOKOSA-N 1 1 371.231 2.238 20 10 FECDMO Cn1cc[nH+]c1[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000373055219 557618140 /nfs/dbraw/zinc/61/81/40/557618140.db2.gz DWAQNQFWCSLULU-NSHDSACASA-N 1 1 357.370 2.043 20 10 FECDMO COc1c(O)c(C[N@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000373604824 557728031 /nfs/dbraw/zinc/72/80/31/557728031.db2.gz SSFAMCXSTYLGMQ-GOSISDBHSA-N 1 1 366.414 2.469 20 10 FECDMO C[C@@H]1CN(S(=O)(=O)c2cccc3nsnc32)c2ccccc2C[NH2+]1 ZINC000392373939 558617364 /nfs/dbraw/zinc/61/73/64/558617364.db2.gz IZJBOZIXTBQSNM-LLVKDONJSA-N 1 1 360.464 2.378 20 10 FECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCC[NH+](C)C)C1 ZINC000436457314 559942002 /nfs/dbraw/zinc/94/20/02/559942002.db2.gz MIJJUFQKNTWRJR-UHFFFAOYSA-N 1 1 356.514 2.476 20 10 FECDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000806855669 674392953 /nfs/dbraw/zinc/39/29/53/674392953.db2.gz UZYAQVHQDFIAQO-CYBMUJFWSA-N 1 1 356.264 2.438 20 10 FECDMO C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1O ZINC000736792149 598617816 /nfs/dbraw/zinc/61/78/16/598617816.db2.gz KFNXBCIRPILSIB-UHFFFAOYSA-N 1 1 352.398 2.033 20 10 FECDMO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000815570522 674959443 /nfs/dbraw/zinc/95/94/43/674959443.db2.gz DXPUHVVLHPRAGQ-MNOVXSKESA-N 1 1 366.405 2.486 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCS[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000112643887 670874632 /nfs/dbraw/zinc/87/46/32/670874632.db2.gz QSCQTUCPGOTZEF-HOTGVXAUSA-N 1 1 363.527 2.170 20 10 FECDMO CCN(CC)c1ccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1F ZINC000123465826 671980004 /nfs/dbraw/zinc/98/00/04/671980004.db2.gz FGZVIWUVLZNCAR-UHFFFAOYSA-N 1 1 357.495 2.186 20 10 FECDMO CC(C)COC(=O)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000725774330 673090668 /nfs/dbraw/zinc/09/06/68/673090668.db2.gz AHPQJPZPYWUBEO-UHFFFAOYSA-N 1 1 350.415 2.421 20 10 FECDMO C[N@H+]1CC[C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000729532386 673238486 /nfs/dbraw/zinc/23/84/86/673238486.db2.gz YPUWGRLCOKKINN-CYBMUJFWSA-N 1 1 353.413 2.325 20 10 FECDMO COc1ccc(N2CC[C@@H](CNC(=O)C[N@@H+](C)[C@H]3CCSC3)C2)cc1 ZINC000819586854 675302791 /nfs/dbraw/zinc/30/27/91/675302791.db2.gz VCCOGKHHTNKTPU-RDJZCZTQSA-N 1 1 363.527 2.075 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC000824501565 675607089 /nfs/dbraw/zinc/60/70/89/675607089.db2.gz OPYDHNNNNSKRQI-GJZGRUSLSA-N 1 1 355.276 2.368 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1 ZINC000824501565 675607091 /nfs/dbraw/zinc/60/70/91/675607091.db2.gz OPYDHNNNNSKRQI-GJZGRUSLSA-N 1 1 355.276 2.368 20 10 FECDMO CSc1cccc(-n2c(C)cc(C(=O)Cn3nnnc3C[NH3+])c2C)c1 ZINC000830456759 677040751 /nfs/dbraw/zinc/04/07/51/677040751.db2.gz WDLGYKMKSSSFEM-UHFFFAOYSA-N 1 1 356.455 2.144 20 10 FECDMO C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)CC[N@H+]1C ZINC000764791056 680821369 /nfs/dbraw/zinc/82/13/69/680821369.db2.gz MBHWPGUTHXKIIR-ZYHUDNBSSA-N 1 1 356.264 2.437 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)c1 ZINC000840891301 680849869 /nfs/dbraw/zinc/84/98/69/680849869.db2.gz WSCPFOQQEUYSEK-GFCCVEGCSA-N 1 1 355.456 2.044 20 10 FECDMO C[N@@H+](CC(=O)NCc1cccc(Br)c1O)[C@H]1CCSC1 ZINC000765728367 680852834 /nfs/dbraw/zinc/85/28/34/680852834.db2.gz IWFVUTMNSWTVIY-NSHDSACASA-N 1 1 359.289 2.208 20 10 FECDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000841043263 680860726 /nfs/dbraw/zinc/86/07/26/680860726.db2.gz QAHLKVDBFFZJSE-AWEZNQCLSA-N 1 1 352.280 2.038 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1O ZINC000750819623 680134639 /nfs/dbraw/zinc/13/46/39/680134639.db2.gz DCQIBOAAHDBLEF-QGZVFWFLSA-N 1 1 350.434 2.421 20 10 FECDMO COc1ccc(N2CCCN(C(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)cc1 ZINC000758002317 680549506 /nfs/dbraw/zinc/54/95/06/680549506.db2.gz GESOMFNVHJMVLM-KRWDZBQOSA-N 1 1 363.527 2.171 20 10 FECDMO COc1cc(Br)cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1O ZINC000841892039 680916826 /nfs/dbraw/zinc/91/68/26/680916826.db2.gz SAFFZOWGEXJDAH-VXGBXAGGSA-N 1 1 373.291 2.050 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1[O-] ZINC000842478546 680949492 /nfs/dbraw/zinc/94/94/92/680949492.db2.gz HTZBVJAYDMWFPV-PKOBYXMFSA-N 1 1 350.434 2.452 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1O ZINC000842478546 680949493 /nfs/dbraw/zinc/94/94/93/680949493.db2.gz HTZBVJAYDMWFPV-PKOBYXMFSA-N 1 1 350.434 2.452 20 10 FECDMO COc1cc(O)c(C[NH+]2CCN(C3=NCC(C)(C)S3)CC2)cc1OC ZINC000775655471 681322141 /nfs/dbraw/zinc/32/21/41/681322141.db2.gz FPBQCNAOXMDJMI-UHFFFAOYSA-N 1 1 365.499 2.408 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c1O ZINC000775996432 681355353 /nfs/dbraw/zinc/35/53/53/681355353.db2.gz QTMDBPNRBMBIRL-UHFFFAOYSA-N 1 1 366.215 2.217 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)c1O ZINC000775996432 681355355 /nfs/dbraw/zinc/35/53/55/681355355.db2.gz QTMDBPNRBMBIRL-UHFFFAOYSA-N 1 1 366.215 2.217 20 10 FECDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSc2ncc(Cl)s2)C1 ZINC000849998204 681837217 /nfs/dbraw/zinc/83/72/17/681837217.db2.gz LEYAHJBHIANBBG-LLVKDONJSA-N 1 1 363.936 2.362 20 10 FECDMO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000788670888 682548879 /nfs/dbraw/zinc/54/88/79/682548879.db2.gz KTQZOFICQGPQNK-QWRGUYRKSA-N 1 1 366.405 2.343 20 10 FECDMO Cn1c(Cl)cnc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000799335229 683446386 /nfs/dbraw/zinc/44/63/86/683446386.db2.gz UEBQFSLRINKDMS-AWEZNQCLSA-N 1 1 361.877 2.065 20 10 FECDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c(O)cccc1Br ZINC000862364641 683577287 /nfs/dbraw/zinc/57/72/87/683577287.db2.gz FSNFHMAKJASFQC-CHWSQXEVSA-N 1 1 355.276 2.450 20 10 FECDMO OCc1cn([C@H]2CCC[N@@H+](Cc3c(O)cccc3Br)C2)nn1 ZINC000862377658 683580311 /nfs/dbraw/zinc/58/03/11/683580311.db2.gz KBJLGLRHCMFUIB-LBPRGKRZSA-N 1 1 367.247 2.076 20 10 FECDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000862475236 683594852 /nfs/dbraw/zinc/59/48/52/683594852.db2.gz DIQJDUJAKMOMRQ-LJQANCHMSA-N 1 1 351.443 2.462 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)cc1 ZINC000862551624 683600257 /nfs/dbraw/zinc/60/02/57/683600257.db2.gz OXYIRVIIMOZXOQ-KRWDZBQOSA-N 1 1 353.532 2.294 20 10 FECDMO CN(C)[C@@H](CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(F)(F)F ZINC000922752107 683777639 /nfs/dbraw/zinc/77/76/39/683777639.db2.gz LTJASWQJRLRVLY-KRWDZBQOSA-N 1 1 358.452 2.411 20 10 FECDMO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925167326 684534235 /nfs/dbraw/zinc/53/42/35/684534235.db2.gz PPAWBXOXVATQRR-KBPBESRZSA-N 1 1 355.891 2.425 20 10 FECDMO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925409376 684560267 /nfs/dbraw/zinc/56/02/67/684560267.db2.gz FMIGRPGYDPYUEO-CYBMUJFWSA-N 1 1 356.264 2.390 20 10 FECDMO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883103287 687565682 /nfs/dbraw/zinc/56/56/82/687565682.db2.gz QIVFTZGJEZMCFW-UHFFFAOYSA-N 1 1 362.442 2.353 20 10 FECDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000883372418 687617410 /nfs/dbraw/zinc/61/74/10/687617410.db2.gz ZREFHCRJQJXLCK-CQSZACIVSA-N 1 1 371.884 2.071 20 10 FECDMO Cn1cc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)c(Cl)n1 ZINC000886325244 688232487 /nfs/dbraw/zinc/23/24/87/688232487.db2.gz ZPWKNMREOYVKNX-UHFFFAOYSA-N 1 1 361.877 2.065 20 10 FECDMO COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c(O)c1OC ZINC000892113082 689152141 /nfs/dbraw/zinc/15/21/41/689152141.db2.gz VSMYQKITFHZZBG-DZGCQCFKSA-N 1 1 357.472 2.197 20 10 FECDMO CCc1nnc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000893327366 689332739 /nfs/dbraw/zinc/33/27/39/689332739.db2.gz BBNUCWYLIAYDHP-AWEZNQCLSA-N 1 1 359.499 2.092 20 10 FECDMO COc1cc(C)cc(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000894873992 689612207 /nfs/dbraw/zinc/61/22/07/689612207.db2.gz LCXXRXZCQKAREM-CQSZACIVSA-N 1 1 354.447 2.027 20 10 FECDMO COc1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c(O)c1OC ZINC000895231138 689680904 /nfs/dbraw/zinc/68/09/04/689680904.db2.gz WHOCHXPSGGQROW-INIZCTEOSA-N 1 1 350.459 2.096 20 10 FECDMO Oc1c(F)cc(Br)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000895345493 689700032 /nfs/dbraw/zinc/70/00/32/689700032.db2.gz UXQGFFTWFQIYMX-CQSZACIVSA-N 1 1 373.266 2.325 20 10 FECDMO Oc1c(F)cc(Br)cc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000895345493 689700035 /nfs/dbraw/zinc/70/00/35/689700035.db2.gz UXQGFFTWFQIYMX-CQSZACIVSA-N 1 1 373.266 2.325 20 10 FECDMO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000895552381 689734229 /nfs/dbraw/zinc/73/42/29/689734229.db2.gz VQQBKANDCVLKSK-UHFFFAOYSA-N 1 1 369.868 2.491 20 10 FECDMO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000896684138 689916276 /nfs/dbraw/zinc/91/62/76/689916276.db2.gz PEYHOIWPKSUCLC-LBPRGKRZSA-N 1 1 362.451 2.107 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCOC[C@@H]2CC2CCOCC2)cc1OC ZINC000902668557 690795731 /nfs/dbraw/zinc/79/57/31/690795731.db2.gz CFWRGXCZGFVMPD-INIZCTEOSA-N 1 1 351.443 2.427 20 10 FECDMO CO[C@@]1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CCS(=O)(=O)C1 ZINC000903363680 690885634 /nfs/dbraw/zinc/88/56/34/690885634.db2.gz QSGJVCIISRNVHB-QMTHXVAHSA-N 1 1 367.389 2.265 20 10 FECDMO CN1CCN(c2ccc(CN3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)cc2)CC1 ZINC000903983060 690992096 /nfs/dbraw/zinc/99/20/96/690992096.db2.gz BFBHRRDJRGFNFY-IRXDYDNUSA-N 1 1 356.436 2.150 20 10 FECDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000824451148 675603673 /nfs/dbraw/zinc/60/36/73/675603673.db2.gz JZKWMRRPOFPVCU-NSHDSACASA-N 1 1 355.232 2.429 20 10 FECDMO C[N@H+](CC(=O)NCc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758113 541741585 /nfs/dbraw/zinc/74/15/85/541741585.db2.gz HSWJJGVNXSQPCG-UHFFFAOYSA-N 1 1 353.466 2.271 20 10 FECDMO C[N@@H+](CC(=O)NCc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758113 541741590 /nfs/dbraw/zinc/74/15/90/541741590.db2.gz HSWJJGVNXSQPCG-UHFFFAOYSA-N 1 1 353.466 2.271 20 10 FECDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(Br)ccc1O ZINC000093420071 542931502 /nfs/dbraw/zinc/93/15/02/542931502.db2.gz CXRYMYKROWGJSR-UWVGGRQHSA-N 1 1 350.278 2.408 20 10 FECDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000093420071 542931504 /nfs/dbraw/zinc/93/15/04/542931504.db2.gz CXRYMYKROWGJSR-UWVGGRQHSA-N 1 1 350.278 2.408 20 10 FECDMO CC(C)[N@H+](CCS(C)(=O)=O)Cc1cc(Br)ccc1O ZINC000093707572 542939475 /nfs/dbraw/zinc/93/94/75/542939475.db2.gz OGQMZBVZJPHZCG-UHFFFAOYSA-N 1 1 350.278 2.410 20 10 FECDMO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cc(Br)ccc1O ZINC000093707572 542939477 /nfs/dbraw/zinc/93/94/77/542939477.db2.gz OGQMZBVZJPHZCG-UHFFFAOYSA-N 1 1 350.278 2.410 20 10 FECDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000802653330 674190301 /nfs/dbraw/zinc/19/03/01/674190301.db2.gz RLAOLQBBAWZYMV-QGZVFWFLSA-N 1 1 352.450 2.290 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000118532545 543653050 /nfs/dbraw/zinc/65/30/50/543653050.db2.gz AOEXGVWNXKVUFH-INIZCTEOSA-N 1 1 371.403 2.118 20 10 FECDMO Cc1nc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000123552561 543768249 /nfs/dbraw/zinc/76/82/49/543768249.db2.gz ZJPQHHDTQVFDKY-CYBMUJFWSA-N 1 1 350.806 2.131 20 10 FECDMO Cc1nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000123552561 543768251 /nfs/dbraw/zinc/76/82/51/543768251.db2.gz ZJPQHHDTQVFDKY-CYBMUJFWSA-N 1 1 350.806 2.131 20 10 FECDMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n(C)n1 ZINC000134261754 544300685 /nfs/dbraw/zinc/30/06/85/544300685.db2.gz RJTAOMHZLXCBKF-HNNXBMFYSA-N 1 1 362.861 2.482 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cc1 ZINC000135590005 544354737 /nfs/dbraw/zinc/35/47/37/544354737.db2.gz OBZHVYGTUAHHJV-LJQANCHMSA-N 1 1 369.513 2.454 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cc1 ZINC000135590005 544354739 /nfs/dbraw/zinc/35/47/39/544354739.db2.gz OBZHVYGTUAHHJV-LJQANCHMSA-N 1 1 369.513 2.454 20 10 FECDMO COc1cc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)ccc1O ZINC000156890008 545673346 /nfs/dbraw/zinc/67/33/46/545673346.db2.gz JBNVCRAGOOBGRH-UHFFFAOYSA-N 1 1 357.454 2.215 20 10 FECDMO COc1cc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)ccc1O ZINC000156890008 545673350 /nfs/dbraw/zinc/67/33/50/545673350.db2.gz JBNVCRAGOOBGRH-UHFFFAOYSA-N 1 1 357.454 2.215 20 10 FECDMO CCc1nsc(N2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000173557280 546282953 /nfs/dbraw/zinc/28/29/53/546282953.db2.gz IXYGMXDADRJROD-UHFFFAOYSA-N 1 1 362.455 2.247 20 10 FECDMO COc1ccc(O)c(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000173580034 546283443 /nfs/dbraw/zinc/28/34/43/546283443.db2.gz XOZFXAPKELBGEZ-LJQANCHMSA-N 1 1 370.449 2.308 20 10 FECDMO COc1ccc(O)c(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000173580034 546283449 /nfs/dbraw/zinc/28/34/49/546283449.db2.gz XOZFXAPKELBGEZ-LJQANCHMSA-N 1 1 370.449 2.308 20 10 FECDMO CCC(CC)[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[NH+]1CCOCC1 ZINC000183431378 547658039 /nfs/dbraw/zinc/65/80/39/547658039.db2.gz JRYZSODLUJOAKW-IFXJQAMLSA-N 1 1 364.486 2.282 20 10 FECDMO Cc1cc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000186935785 548223921 /nfs/dbraw/zinc/22/39/21/548223921.db2.gz XSRJSTXFQDTSMB-INIZCTEOSA-N 1 1 370.497 2.406 20 10 FECDMO Cc1cc(C(=O)CN2CC[NH+](C[C@H](C)O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000189287682 548299062 /nfs/dbraw/zinc/29/90/62/548299062.db2.gz FTPLJNJOOOBGFI-INIZCTEOSA-N 1 1 373.472 2.414 20 10 FECDMO COc1cc(N2CC[NH+](CCOCC(F)F)CC2)cc(OC)c1OC ZINC000189974301 548315136 /nfs/dbraw/zinc/31/51/36/548315136.db2.gz UTAYFOOPXRCZGR-UHFFFAOYSA-N 1 1 360.401 2.116 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)CCc3cscn3)CC2)cc1 ZINC000263759330 549932567 /nfs/dbraw/zinc/93/25/67/549932567.db2.gz KBCIIRQNOULHMZ-UHFFFAOYSA-N 1 1 374.510 2.023 20 10 FECDMO CN(C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1nccs1 ZINC000264632470 549999092 /nfs/dbraw/zinc/99/90/92/549999092.db2.gz VMRLNCUBBXDYAD-HNNXBMFYSA-N 1 1 361.467 2.493 20 10 FECDMO CN(C(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1nccs1 ZINC000264632470 549999094 /nfs/dbraw/zinc/99/90/94/549999094.db2.gz VMRLNCUBBXDYAD-HNNXBMFYSA-N 1 1 361.467 2.493 20 10 FECDMO CN(C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1nccs1 ZINC000264632473 549999103 /nfs/dbraw/zinc/99/91/03/549999103.db2.gz VMRLNCUBBXDYAD-OAHLLOKOSA-N 1 1 361.467 2.493 20 10 FECDMO CN(C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1nccs1 ZINC000264632473 549999105 /nfs/dbraw/zinc/99/91/05/549999105.db2.gz VMRLNCUBBXDYAD-OAHLLOKOSA-N 1 1 361.467 2.493 20 10 FECDMO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000268789597 550116459 /nfs/dbraw/zinc/11/64/59/550116459.db2.gz BLDSBADOHBEUDO-LVCYWYKZSA-N 1 1 360.546 2.136 20 10 FECDMO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)CC2)cc1 ZINC000268789597 550116462 /nfs/dbraw/zinc/11/64/62/550116462.db2.gz BLDSBADOHBEUDO-LVCYWYKZSA-N 1 1 360.546 2.136 20 10 FECDMO C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000272974713 550479191 /nfs/dbraw/zinc/47/91/91/550479191.db2.gz OSDFFBPLYOKSGQ-QGZVFWFLSA-N 1 1 372.513 2.315 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000273476817 550499751 /nfs/dbraw/zinc/49/97/51/550499751.db2.gz LAKDOEDIHJJPDH-URKNILKWSA-N 1 1 359.422 2.314 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000273499779 550500667 /nfs/dbraw/zinc/50/06/67/550500667.db2.gz PYMYJFRXECVENS-MFKMUULPSA-N 1 1 374.359 2.383 20 10 FECDMO COc1cc(N2CC[NH+](Cc3cnn(C)c3C)CC2)cc(OC)c1OC ZINC000273574059 550503714 /nfs/dbraw/zinc/50/37/14/550503714.db2.gz GISNWVLJLPOPKB-UHFFFAOYSA-N 1 1 360.458 2.077 20 10 FECDMO O=C(NCc1cccc(Br)c1O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000277276960 550650950 /nfs/dbraw/zinc/65/09/50/550650950.db2.gz AOFWFYPSRROVDR-LLVKDONJSA-N 1 1 368.275 2.438 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)ccc1[N+](=O)[O-] ZINC000278295380 550769886 /nfs/dbraw/zinc/76/98/86/550769886.db2.gz CEEKPGVMOZLDOF-ZDUSSCGKSA-N 1 1 352.387 2.284 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)ccc1[N+](=O)[O-] ZINC000278295380 550769888 /nfs/dbraw/zinc/76/98/88/550769888.db2.gz CEEKPGVMOZLDOF-ZDUSSCGKSA-N 1 1 352.387 2.284 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@@H]2COC3(CCCCC3)O2)ccc1[N+](=O)[O-] ZINC000278464795 550789072 /nfs/dbraw/zinc/78/90/72/550789072.db2.gz FWCTUNBJPCSPDH-CYBMUJFWSA-N 1 1 352.387 2.474 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000278520242 550795080 /nfs/dbraw/zinc/79/50/80/550795080.db2.gz RWLWPOKKQLMKGB-WCQYABFASA-N 1 1 351.403 2.046 20 10 FECDMO Cn1cc([C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)C[C@H]2CO)cn1 ZINC000278721474 550814962 /nfs/dbraw/zinc/81/49/62/550814962.db2.gz PTJTXNVVWGJWHF-ZFWWWQNUSA-N 1 1 366.259 2.096 20 10 FECDMO C[N@H+]1CCN(CCNC(=O)NCc2ccc(N3CCCC3)cc2)CC1(C)C ZINC000281961749 551162920 /nfs/dbraw/zinc/16/29/20/551162920.db2.gz VDSXKMDSRUKVGM-UHFFFAOYSA-N 1 1 373.545 2.112 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cc[nH]c3C3CC3)CC2)cc1 ZINC000284070942 551478602 /nfs/dbraw/zinc/47/86/02/551478602.db2.gz VVLRBZIJPXWDLQ-UHFFFAOYSA-N 1 1 368.481 2.453 20 10 FECDMO COC(=O)c1cn(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)nn1 ZINC000284529044 551570307 /nfs/dbraw/zinc/57/03/07/551570307.db2.gz ZTBPTEWLZWHGJD-MRVPVSSYSA-N 1 1 359.213 2.428 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC3(CC(OCC)C3)C1)cc2=O ZINC000285367880 551744628 /nfs/dbraw/zinc/74/46/28/551744628.db2.gz BVFCAHPRXXBPTO-UHFFFAOYSA-N 1 1 374.441 2.003 20 10 FECDMO CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(F)cc1O ZINC000286288429 551870402 /nfs/dbraw/zinc/87/04/02/551870402.db2.gz WCWCTYYEAHNWLB-GDBMZVCRSA-N 1 1 374.478 2.061 20 10 FECDMO C[N@H+]1CC[C@@]2(CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C2)C1 ZINC000292327371 552716191 /nfs/dbraw/zinc/71/61/91/552716191.db2.gz UAIPLXDREGGKFC-HXRGIAOBSA-N 1 1 355.482 2.091 20 10 FECDMO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000362441558 554972295 /nfs/dbraw/zinc/97/22/95/554972295.db2.gz JVRBDJXZUADCMK-QGZVFWFLSA-N 1 1 355.486 2.280 20 10 FECDMO Cc1cc([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000362441558 554972296 /nfs/dbraw/zinc/97/22/96/554972296.db2.gz JVRBDJXZUADCMK-QGZVFWFLSA-N 1 1 355.486 2.280 20 10 FECDMO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)[nH]n1 ZINC000362441558 554972297 /nfs/dbraw/zinc/97/22/97/554972297.db2.gz JVRBDJXZUADCMK-QGZVFWFLSA-N 1 1 355.486 2.280 20 10 FECDMO Cc1cc([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)[nH]n1 ZINC000362441558 554972299 /nfs/dbraw/zinc/97/22/99/554972299.db2.gz JVRBDJXZUADCMK-QGZVFWFLSA-N 1 1 355.486 2.280 20 10 FECDMO Cc1cc([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000362441557 554972488 /nfs/dbraw/zinc/97/24/88/554972488.db2.gz JVRBDJXZUADCMK-KRWDZBQOSA-N 1 1 355.486 2.280 20 10 FECDMO Cc1cc([C@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)n[nH]1 ZINC000362441557 554972490 /nfs/dbraw/zinc/97/24/90/554972490.db2.gz JVRBDJXZUADCMK-KRWDZBQOSA-N 1 1 355.486 2.280 20 10 FECDMO Cc1cc([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)[nH]n1 ZINC000362441557 554972491 /nfs/dbraw/zinc/97/24/91/554972491.db2.gz JVRBDJXZUADCMK-KRWDZBQOSA-N 1 1 355.486 2.280 20 10 FECDMO Cc1cc([C@H]2CCC[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)[nH]n1 ZINC000362441557 554972493 /nfs/dbraw/zinc/97/24/93/554972493.db2.gz JVRBDJXZUADCMK-KRWDZBQOSA-N 1 1 355.486 2.280 20 10 FECDMO COc1cc(O)c(C[N@@H+]2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1OC ZINC000367749193 556129692 /nfs/dbraw/zinc/12/96/92/556129692.db2.gz LRWUZKVJNCHUSJ-KRWDZBQOSA-N 1 1 363.502 2.010 20 10 FECDMO COc1cc(O)c(C[N@H+]2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1OC ZINC000367749193 556129694 /nfs/dbraw/zinc/12/96/94/556129694.db2.gz LRWUZKVJNCHUSJ-KRWDZBQOSA-N 1 1 363.502 2.010 20 10 FECDMO O=C1[C@H]2C[N@@H+](Cc3cc(F)ccc3O)CCN2C(=O)N1c1ccccc1 ZINC000367818400 556146970 /nfs/dbraw/zinc/14/69/70/556146970.db2.gz HOZGFVAHKWGTIJ-MRXNPFEDSA-N 1 1 355.369 2.184 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000369720536 556677815 /nfs/dbraw/zinc/67/78/15/556677815.db2.gz IZHFPHSHJZUYFA-SKDRFNHKSA-N 1 1 371.231 2.094 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H]3COC(=O)N[C@H]3C2)c1O ZINC000369720536 556677816 /nfs/dbraw/zinc/67/78/16/556677816.db2.gz IZHFPHSHJZUYFA-SKDRFNHKSA-N 1 1 371.231 2.094 20 10 FECDMO CC(C)N1CCN([C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000371335587 557151094 /nfs/dbraw/zinc/15/10/94/557151094.db2.gz KWUHOICOUKARSO-QFIPXVFZSA-N 1 1 372.557 2.124 20 10 FECDMO CC(C)N1CCN([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000371335587 557151100 /nfs/dbraw/zinc/15/11/00/557151100.db2.gz KWUHOICOUKARSO-QFIPXVFZSA-N 1 1 372.557 2.124 20 10 FECDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000372283225 557429232 /nfs/dbraw/zinc/42/92/32/557429232.db2.gz RSAVAHKPCDZVPO-HUUCEWRRSA-N 1 1 353.390 2.276 20 10 FECDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000372283225 557429233 /nfs/dbraw/zinc/42/92/33/557429233.db2.gz RSAVAHKPCDZVPO-HUUCEWRRSA-N 1 1 353.390 2.276 20 10 FECDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000372404351 557462171 /nfs/dbraw/zinc/46/21/71/557462171.db2.gz LHNFPYWZTRCPSW-GOSISDBHSA-N 1 1 351.516 2.191 20 10 FECDMO COc1ccc(CNC(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)c(O)c1 ZINC000373660494 557732985 /nfs/dbraw/zinc/73/29/85/557732985.db2.gz OHLVGLGNFCUXCR-HXUWFJFHSA-N 1 1 356.422 2.257 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1 ZINC000377708713 558402437 /nfs/dbraw/zinc/40/24/37/558402437.db2.gz XQMYSFWIUKITSW-CVEARBPZSA-N 1 1 364.442 2.270 20 10 FECDMO Cc1noc(C2(C)CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)n1 ZINC000378571714 558585929 /nfs/dbraw/zinc/58/59/29/558585929.db2.gz ANTPLUZVOOQFGU-UHFFFAOYSA-N 1 1 371.485 2.114 20 10 FECDMO CCOCC[NH+]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472239747 561021565 /nfs/dbraw/zinc/02/15/65/561021565.db2.gz ITVWYERGQTZNHO-UHFFFAOYSA-N 1 1 358.486 2.350 20 10 FECDMO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+](C)Cc1ccccc1O ZINC000735560210 598617835 /nfs/dbraw/zinc/61/78/35/598617835.db2.gz BPRYUQHIKWBPHL-LBPRGKRZSA-N 1 1 352.398 2.031 20 10 FECDMO Oc1ccccc1C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)C[C@@H]1CCCO1 ZINC000826511382 607520488 /nfs/dbraw/zinc/52/04/88/607520488.db2.gz NDEOCGHJUOVAAU-INIZCTEOSA-N 1 1 366.425 2.149 20 10 FECDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1)C(F)(F)F ZINC000811515020 674610465 /nfs/dbraw/zinc/61/04/65/674610465.db2.gz LCYXHKADEXYOFH-JTQLQIEISA-N 1 1 360.332 2.011 20 10 FECDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1)C(F)(F)F ZINC000811515020 674610466 /nfs/dbraw/zinc/61/04/66/674610466.db2.gz LCYXHKADEXYOFH-JTQLQIEISA-N 1 1 360.332 2.011 20 10 FECDMO Oc1c(Br)cccc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000093817768 670755696 /nfs/dbraw/zinc/75/56/96/670755696.db2.gz KKJVIIZPVZLHNQ-CYBMUJFWSA-N 1 1 355.276 2.309 20 10 FECDMO COC(=O)C[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267396 672121543 /nfs/dbraw/zinc/12/15/43/672121543.db2.gz FERGQRHNZXLYAT-SWLSCSKDSA-N 1 1 368.861 2.325 20 10 FECDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCCSc2nccs2)C[C@H](C)O1 ZINC000195028983 672774277 /nfs/dbraw/zinc/77/42/77/672774277.db2.gz PEBOJQHTRGYYJF-OKILXGFUSA-N 1 1 372.560 2.376 20 10 FECDMO C[C@@H]1C[N@H+](CCN(C)C(=O)NCCCSc2nccs2)C[C@H](C)O1 ZINC000195028983 672774281 /nfs/dbraw/zinc/77/42/81/672774281.db2.gz PEBOJQHTRGYYJF-OKILXGFUSA-N 1 1 372.560 2.376 20 10 FECDMO CCN1CCN(c2ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc2F)CC1 ZINC000819034263 675254435 /nfs/dbraw/zinc/25/44/35/675254435.db2.gz YRUILNGTWXZDSZ-AWEZNQCLSA-N 1 1 363.399 2.371 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c1O ZINC000825130488 675638277 /nfs/dbraw/zinc/63/82/77/675638277.db2.gz YWBYGDXRJCEXIK-ZWNOBZJWSA-N 1 1 360.248 2.135 20 10 FECDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H](O)C1CCC1 ZINC000827311296 675747230 /nfs/dbraw/zinc/74/72/30/675747230.db2.gz XYJOOEGVKZQGKJ-WBVHZDCISA-N 1 1 352.862 2.287 20 10 FECDMO Cc1cc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000828619356 675834052 /nfs/dbraw/zinc/83/40/52/675834052.db2.gz GEEDWBCWWGHWHD-QGZVFWFLSA-N 1 1 351.516 2.238 20 10 FECDMO CCn1nnc(C)c1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839144280 680741485 /nfs/dbraw/zinc/74/14/85/680741485.db2.gz HCFCHLYTGLXPPJ-UHFFFAOYSA-N 1 1 351.401 2.011 20 10 FECDMO Cc1cn(C)nc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000839708155 680773544 /nfs/dbraw/zinc/77/35/44/680773544.db2.gz KLGFUXUZWFCFAO-OAHLLOKOSA-N 1 1 362.861 2.482 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c(Cl)c1 ZINC000840946637 680855698 /nfs/dbraw/zinc/85/56/98/680855698.db2.gz DASVZFGMALVSSD-GTNSWQLSSA-N 1 1 351.834 2.307 20 10 FECDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c(Cl)c1 ZINC000840948058 680855923 /nfs/dbraw/zinc/85/59/23/680855923.db2.gz KSOPQMGNXWTTNS-CYBMUJFWSA-N 1 1 360.907 2.457 20 10 FECDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840976434 680858309 /nfs/dbraw/zinc/85/83/09/680858309.db2.gz FMZNSCDZPAVAID-OAHLLOKOSA-N 1 1 368.474 2.000 20 10 FECDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000840975817 680858346 /nfs/dbraw/zinc/85/83/46/680858346.db2.gz AMNZBIGMIZEWPM-NSHDSACASA-N 1 1 360.273 2.493 20 10 FECDMO CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000832544086 680147114 /nfs/dbraw/zinc/14/71/14/680147114.db2.gz LGUVKEQAZQIXIF-UHFFFAOYSA-N 1 1 351.466 2.240 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000835049886 680290847 /nfs/dbraw/zinc/29/08/47/680290847.db2.gz NCTOUHRHNIHFRM-HWKANZROSA-N 1 1 363.527 2.266 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000835049886 680290852 /nfs/dbraw/zinc/29/08/52/680290852.db2.gz NCTOUHRHNIHFRM-HWKANZROSA-N 1 1 363.527 2.266 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000835054150 680291371 /nfs/dbraw/zinc/29/13/71/680291371.db2.gz NRKZFOATXVEOJH-NAASZUNDSA-N 1 1 363.527 2.266 20 10 FECDMO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756447754 680479485 /nfs/dbraw/zinc/47/94/85/680479485.db2.gz YGVYXFFWWWNVGD-SNVBAGLBSA-N 1 1 356.394 2.429 20 10 FECDMO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Br)c(F)cc1O ZINC000756613035 680488785 /nfs/dbraw/zinc/48/87/85/680488785.db2.gz NHLXGUPMRLAWIJ-CLAHSXSESA-N 1 1 358.211 2.412 20 10 FECDMO C[NH+]1CCN([C@H](CNC(=O)Nc2ccc(N)cc2)c2cccs2)CC1 ZINC000841302542 680872833 /nfs/dbraw/zinc/87/28/33/680872833.db2.gz ZFLKQCPUVWNPDS-MRXNPFEDSA-N 1 1 359.499 2.441 20 10 FECDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843434055 681003890 /nfs/dbraw/zinc/00/38/90/681003890.db2.gz QLHBLQVNOBFMMP-OCCSQVGLSA-N 1 1 360.376 2.127 20 10 FECDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843434055 681003891 /nfs/dbraw/zinc/00/38/91/681003891.db2.gz QLHBLQVNOBFMMP-OCCSQVGLSA-N 1 1 360.376 2.127 20 10 FECDMO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)o1)c1ccc(N(C)C)cc1 ZINC000775831776 681340230 /nfs/dbraw/zinc/34/02/30/681340230.db2.gz UNFCXBHFOQNIIJ-ZDUSSCGKSA-N 1 1 351.472 2.447 20 10 FECDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000777564830 681504288 /nfs/dbraw/zinc/50/42/88/681504288.db2.gz PTQAHBRGSQBKJC-LBPRGKRZSA-N 1 1 353.344 2.441 20 10 FECDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000853530024 682428433 /nfs/dbraw/zinc/42/84/33/682428433.db2.gz WKMWLQHDCLYOBU-MNOVXSKESA-N 1 1 361.316 2.294 20 10 FECDMO COC(=O)c1cn(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)nn1 ZINC000788826458 682559052 /nfs/dbraw/zinc/55/90/52/682559052.db2.gz CQGSOYVGZSBDOA-SECBINFHSA-N 1 1 358.320 2.140 20 10 FECDMO C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(Br)ccc1O ZINC000790740670 682698390 /nfs/dbraw/zinc/69/83/90/682698390.db2.gz ZOWMTHZZCXAIEM-VIFPVBQESA-N 1 1 353.220 2.127 20 10 FECDMO C[N@@H+]1CCN(CC[NH2+]Cc2c([O-])cccc2Br)CC1(C)C ZINC000858161985 682939370 /nfs/dbraw/zinc/93/93/70/682939370.db2.gz KAPKCZDERSHWCH-UHFFFAOYSA-N 1 1 356.308 2.270 20 10 FECDMO C[N@H+]1CCN(CC[NH2+]Cc2c([O-])cccc2Br)CC1(C)C ZINC000858161985 682939373 /nfs/dbraw/zinc/93/93/73/682939373.db2.gz KAPKCZDERSHWCH-UHFFFAOYSA-N 1 1 356.308 2.270 20 10 FECDMO CCO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)CN(C)C ZINC000926966628 683190317 /nfs/dbraw/zinc/19/03/17/683190317.db2.gz XOWAREJOVVUUPC-WBVHZDCISA-N 1 1 353.482 2.280 20 10 FECDMO Oc1c(Br)cccc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922625314 683757055 /nfs/dbraw/zinc/75/70/55/683757055.db2.gz XMESCLJYNWANIO-UHFFFAOYSA-N 1 1 372.259 2.293 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)c1 ZINC000866436672 684103881 /nfs/dbraw/zinc/10/38/81/684103881.db2.gz QDPYCSBNVXRIDA-RNCFNFMXSA-N 1 1 358.320 2.225 20 10 FECDMO CC[C@H](NC(C)=O)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000866765550 684147855 /nfs/dbraw/zinc/14/78/55/684147855.db2.gz YSKRBJWMQRNILB-HOTGVXAUSA-N 1 1 367.877 2.041 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000932024184 684392843 /nfs/dbraw/zinc/39/28/43/684392843.db2.gz GIUBAKFZCDFPAH-SCLBCKFNSA-N 1 1 350.390 2.444 20 10 FECDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876758971 686262263 /nfs/dbraw/zinc/26/22/63/686262263.db2.gz MASNUPQQXDVMMI-KRWDZBQOSA-N 1 1 364.511 2.128 20 10 FECDMO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3c(O)cccc3Br)C2)C1 ZINC000877712812 686442849 /nfs/dbraw/zinc/44/28/49/686442849.db2.gz UNVMCDLBAGTDPP-OAHLLOKOSA-N 1 1 369.215 2.049 20 10 FECDMO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3c(O)cccc3Br)C2)C1 ZINC000877712812 686442852 /nfs/dbraw/zinc/44/28/52/686442852.db2.gz UNVMCDLBAGTDPP-OAHLLOKOSA-N 1 1 369.215 2.049 20 10 FECDMO C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882985226 687540535 /nfs/dbraw/zinc/54/05/35/687540535.db2.gz NPTKFVDSNPSOES-UHFFFAOYSA-N 1 1 374.298 2.411 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1 ZINC000883361327 687613554 /nfs/dbraw/zinc/61/35/54/687613554.db2.gz ZSLBZRJHBILSKN-WRWORJQWSA-N 1 1 357.275 2.388 20 10 FECDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC000885891649 688180066 /nfs/dbraw/zinc/18/00/66/688180066.db2.gz WKPJHRDRDOMXTC-ZDUSSCGKSA-N 1 1 362.451 2.296 20 10 FECDMO Oc1c(F)cc(Br)cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000894076503 689461830 /nfs/dbraw/zinc/46/18/30/689461830.db2.gz OQPPMNSVINIYGG-GFCCVEGCSA-N 1 1 373.266 2.448 20 10 FECDMO CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000896979499 689957766 /nfs/dbraw/zinc/95/77/66/689957766.db2.gz YGIBLHMFQJPHBH-SFHVURJKSA-N 1 1 354.422 2.383 20 10 FECDMO COc1cc(C[N@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000897607917 690048108 /nfs/dbraw/zinc/04/81/08/690048108.db2.gz RABZAKNZPDYXIX-OCCSQVGLSA-N 1 1 370.515 2.055 20 10 FECDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc4cc(O)c(O)cc4s3)[C@H]2C1 ZINC000897850487 690090111 /nfs/dbraw/zinc/09/01/11/690090111.db2.gz SHJJJXPCQGNAPN-SWLSCSKDSA-N 1 1 362.451 2.248 20 10 FECDMO CC(C)N1CC[NH+](CCC(=O)NCCCSc2nccs2)CC1 ZINC000900683727 690547976 /nfs/dbraw/zinc/54/79/76/690547976.db2.gz PVLYPAKEGSXEGG-UHFFFAOYSA-N 1 1 356.561 2.158 20 10 FECDMO CO[C@]1(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CCS(=O)(=O)C1 ZINC000903363681 690885861 /nfs/dbraw/zinc/88/58/61/690885861.db2.gz QSGJVCIISRNVHB-YGRLFVJLSA-N 1 1 367.389 2.265 20 10 FECDMO C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cccc(C(F)(F)F)c1O ZINC000903429146 690892781 /nfs/dbraw/zinc/89/27/81/690892781.db2.gz OCUNFDHYHXEGSM-SNVBAGLBSA-N 1 1 357.332 2.414 20 10 FECDMO CC[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccc(C)nc3)c2)CC1 ZINC000800931176 674090966 /nfs/dbraw/zinc/09/09/66/674090966.db2.gz UTWZZXYETQXVLW-UHFFFAOYSA-N 1 1 360.483 2.333 20 10 FECDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CC12COC2 ZINC000824489247 675605902 /nfs/dbraw/zinc/60/59/02/675605902.db2.gz IAEMKOBTLBXMSK-GFCCVEGCSA-N 1 1 370.243 2.166 20 10 FECDMO C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054787082 540610050 /nfs/dbraw/zinc/61/00/50/540610050.db2.gz DWTJLPSBAKWSTB-KRWDZBQOSA-N 1 1 360.502 2.197 20 10 FECDMO CCC[N@@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)Cc1ccccc1O ZINC000068973609 541646179 /nfs/dbraw/zinc/64/61/79/541646179.db2.gz PJXDTOLICWTWMD-FQEVSTJZSA-N 1 1 369.465 2.208 20 10 FECDMO CCc1nc(CN2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cs1 ZINC000092504969 542867616 /nfs/dbraw/zinc/86/76/16/542867616.db2.gz ZEUCDUJRPKPSKV-UHFFFAOYSA-N 1 1 361.467 2.458 20 10 FECDMO COc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000092585676 542872737 /nfs/dbraw/zinc/87/27/37/542872737.db2.gz YGGGYTSXFNYXDF-LBPRGKRZSA-N 1 1 350.440 2.241 20 10 FECDMO Cc1cc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1ccccn1 ZINC000105321067 543171132 /nfs/dbraw/zinc/17/11/32/543171132.db2.gz WLZRSCNDFFCWTL-INIZCTEOSA-N 1 1 369.513 2.102 20 10 FECDMO C[N@@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)Cc1ccccc1O ZINC000109770414 543338773 /nfs/dbraw/zinc/33/87/73/543338773.db2.gz HFAVQGIGJCUSAU-UHFFFAOYSA-N 1 1 367.449 2.033 20 10 FECDMO COc1ccc(O)c(CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000114544423 543523475 /nfs/dbraw/zinc/52/34/75/543523475.db2.gz CYQKDVRSXJZATJ-FQEVSTJZSA-N 1 1 370.449 2.215 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000125584789 543889933 /nfs/dbraw/zinc/88/99/33/543889933.db2.gz OOQBBTNCZHMPCQ-RLLQIKCJSA-N 1 1 359.514 2.456 20 10 FECDMO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C[N@H+]1C1CC1 ZINC000127840926 544016831 /nfs/dbraw/zinc/01/68/31/544016831.db2.gz KWZWSWBXNJCHNH-SJLPKXTDSA-N 1 1 372.513 2.290 20 10 FECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cc[nH]c(=O)c1 ZINC000134260638 544300541 /nfs/dbraw/zinc/30/05/41/544300541.db2.gz LTGWEHJYXBAZPH-OAHLLOKOSA-N 1 1 361.829 2.128 20 10 FECDMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n(C)n1 ZINC000134261732 544300662 /nfs/dbraw/zinc/30/06/62/544300662.db2.gz RJTAOMHZLXCBKF-OAHLLOKOSA-N 1 1 362.861 2.482 20 10 FECDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805199447 674325516 /nfs/dbraw/zinc/32/55/16/674325516.db2.gz SZRISMLUZWWGPX-IINYFYTJSA-N 1 1 368.275 2.437 20 10 FECDMO CN(Cc1ccccc1O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000182899357 547569034 /nfs/dbraw/zinc/56/90/34/547569034.db2.gz IFRLWLVTLYUWBZ-LJQANCHMSA-N 1 1 369.465 2.300 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)C3CCSCC3)CC2)cc1 ZINC000264838209 550002070 /nfs/dbraw/zinc/00/20/70/550002070.db2.gz CMWFLMIBNFUIBU-UHFFFAOYSA-N 1 1 363.527 2.077 20 10 FECDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266633097 550022101 /nfs/dbraw/zinc/02/21/01/550022101.db2.gz VQZHITVHNRKVIZ-GOSISDBHSA-N 1 1 361.446 2.129 20 10 FECDMO COc1ccc(COC[C@@H](O)C[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000269669459 550215682 /nfs/dbraw/zinc/21/56/82/550215682.db2.gz WQQYFBDFTWYRHE-KRWDZBQOSA-N 1 1 361.438 2.419 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c1 ZINC000271115792 550342037 /nfs/dbraw/zinc/34/20/37/550342037.db2.gz BOVLQJNXONOCGB-GJZGRUSLSA-N 1 1 350.459 2.154 20 10 FECDMO Cc1cc(Cl)cc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c1O ZINC000271715994 550397131 /nfs/dbraw/zinc/39/71/31/550397131.db2.gz IJWXALPCKBCQHU-UHFFFAOYSA-N 1 1 360.845 2.170 20 10 FECDMO COc1ccc(O)c(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1 ZINC000271780235 550401646 /nfs/dbraw/zinc/40/16/46/550401646.db2.gz HOBCCGJUTNUQLR-UHFFFAOYSA-N 1 1 360.458 2.399 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1 ZINC000273442962 550498860 /nfs/dbraw/zinc/49/88/60/550498860.db2.gz ZEAVKCRVILHNCU-ZDUSSCGKSA-N 1 1 363.435 2.303 20 10 FECDMO C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273551145 550502689 /nfs/dbraw/zinc/50/26/89/550502689.db2.gz FYJDCGLDZMDUCG-AWEZNQCLSA-N 1 1 350.463 2.225 20 10 FECDMO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000273795753 550511610 /nfs/dbraw/zinc/51/16/10/550511610.db2.gz WAVVYMAOBIZNOM-CYBMUJFWSA-N 1 1 354.248 2.191 20 10 FECDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000273795753 550511611 /nfs/dbraw/zinc/51/16/11/550511611.db2.gz WAVVYMAOBIZNOM-CYBMUJFWSA-N 1 1 354.248 2.191 20 10 FECDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(O)c1O ZINC000277412813 550667442 /nfs/dbraw/zinc/66/74/42/550667442.db2.gz UCJGOVFRFOYTNK-MRXNPFEDSA-N 1 1 356.422 2.119 20 10 FECDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278184008 550758576 /nfs/dbraw/zinc/75/85/76/550758576.db2.gz HIHMZYMJYZAGDK-CYBMUJFWSA-N 1 1 365.430 2.437 20 10 FECDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278184008 550758578 /nfs/dbraw/zinc/75/85/78/550758578.db2.gz HIHMZYMJYZAGDK-CYBMUJFWSA-N 1 1 365.430 2.437 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](CO)C[C@H](OCCOC)C2)cc1 ZINC000278748133 550817723 /nfs/dbraw/zinc/81/77/23/550817723.db2.gz RWCBKLOZIXHUGZ-QUCCMNQESA-N 1 1 350.503 2.379 20 10 FECDMO CC1=C(C)C[N@@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000280667615 551019418 /nfs/dbraw/zinc/01/94/18/551019418.db2.gz FRGJQDXSBAUKOI-UHFFFAOYSA-N 1 1 361.461 2.321 20 10 FECDMO COc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1O ZINC000281695831 551132058 /nfs/dbraw/zinc/13/20/58/551132058.db2.gz CBAULZONRAEWQD-QUCCMNQESA-N 1 1 354.450 2.486 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000288070043 552085204 /nfs/dbraw/zinc/08/52/04/552085204.db2.gz VHBNPZSUZQGICM-HNNXBMFYSA-N 1 1 361.486 2.120 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289716418 552366714 /nfs/dbraw/zinc/36/67/14/552366714.db2.gz XACZCOQHVRGWGM-ICSRJNTNSA-N 1 1 357.498 2.402 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289716418 552366716 /nfs/dbraw/zinc/36/67/16/552366716.db2.gz XACZCOQHVRGWGM-ICSRJNTNSA-N 1 1 357.498 2.402 20 10 FECDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1cc(Br)ccc1O ZINC000291528297 552634176 /nfs/dbraw/zinc/63/41/76/552634176.db2.gz JUKLQPBKPQNAKX-IUODEOHRSA-N 1 1 355.276 2.450 20 10 FECDMO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)NC(=O)NC1=O ZINC000294500800 552911235 /nfs/dbraw/zinc/91/12/35/552911235.db2.gz BNGSIWHBLNFSOD-QFYYESIMSA-N 1 1 355.797 2.137 20 10 FECDMO C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)NC(=O)NC1=O ZINC000294500800 552911236 /nfs/dbraw/zinc/91/12/36/552911236.db2.gz BNGSIWHBLNFSOD-QFYYESIMSA-N 1 1 355.797 2.137 20 10 FECDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000299534611 553577303 /nfs/dbraw/zinc/57/73/03/553577303.db2.gz HKOQCTWOJXOHHA-KRWDZBQOSA-N 1 1 368.437 2.164 20 10 FECDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000299534611 553577305 /nfs/dbraw/zinc/57/73/05/553577305.db2.gz HKOQCTWOJXOHHA-KRWDZBQOSA-N 1 1 368.437 2.164 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000369369125 556582317 /nfs/dbraw/zinc/58/23/17/556582317.db2.gz FIIVECZZMLODAY-GOSISDBHSA-N 1 1 373.545 2.063 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369369125 556582319 /nfs/dbraw/zinc/58/23/19/556582319.db2.gz FIIVECZZMLODAY-GOSISDBHSA-N 1 1 373.545 2.063 20 10 FECDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CCN2C1=O ZINC000369438826 556600980 /nfs/dbraw/zinc/60/09/80/556600980.db2.gz NDDKVBOGCJXTOW-GOSISDBHSA-N 1 1 356.470 2.145 20 10 FECDMO COc1cc(O)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000371362201 557161207 /nfs/dbraw/zinc/16/12/07/557161207.db2.gz YBGXVTLYARSPQR-YQQAZPJKSA-N 1 1 350.459 2.093 20 10 FECDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000371419240 557180583 /nfs/dbraw/zinc/18/05/83/557180583.db2.gz SZZFRCCWWUPVPN-FQEVSTJZSA-N 1 1 355.486 2.396 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000373910488 557785231 /nfs/dbraw/zinc/78/52/31/557785231.db2.gz ZQWQVKDPGMCCPA-AWEZNQCLSA-N 1 1 363.414 2.286 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000373910488 557785233 /nfs/dbraw/zinc/78/52/33/557785233.db2.gz ZQWQVKDPGMCCPA-AWEZNQCLSA-N 1 1 363.414 2.286 20 10 FECDMO CC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)NC ZINC000457043333 560545348 /nfs/dbraw/zinc/54/53/48/560545348.db2.gz IEAHOLVRITVQSC-QGZVFWFLSA-N 1 1 370.497 2.049 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000472074440 561017403 /nfs/dbraw/zinc/01/74/03/561017403.db2.gz NYDSQEDJTMXAKW-UHFFFAOYSA-N 1 1 354.458 2.286 20 10 FECDMO CNC(=O)NC[C@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000529645205 562379971 /nfs/dbraw/zinc/37/99/71/562379971.db2.gz XWKYARBWKHNYMW-SFHVURJKSA-N 1 1 355.438 2.189 20 10 FECDMO CNC(=O)NC[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000529645205 562379972 /nfs/dbraw/zinc/37/99/72/562379972.db2.gz XWKYARBWKHNYMW-SFHVURJKSA-N 1 1 355.438 2.189 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1C ZINC000808225890 674447719 /nfs/dbraw/zinc/44/77/19/674447719.db2.gz AVKDNCDIRVTUNL-HNNXBMFYSA-N 1 1 352.500 2.303 20 10 FECDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cccc(Br)c1O ZINC000809701122 674506060 /nfs/dbraw/zinc/50/60/60/674506060.db2.gz UNIBMZUNBJFPQW-TZMCWYRMSA-N 1 1 355.276 2.450 20 10 FECDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cccc(Br)c1O ZINC000809701122 674506061 /nfs/dbraw/zinc/50/60/61/674506061.db2.gz UNIBMZUNBJFPQW-TZMCWYRMSA-N 1 1 355.276 2.450 20 10 FECDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000809785959 674509841 /nfs/dbraw/zinc/50/98/41/674509841.db2.gz IZVFTGZFPCHLFP-CYBMUJFWSA-N 1 1 358.479 2.413 20 10 FECDMO CCOc1cccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809783861 674509907 /nfs/dbraw/zinc/50/99/07/674509907.db2.gz FUFYXBYAZVLHBP-CQSZACIVSA-N 1 1 368.499 2.085 20 10 FECDMO C[C@@H]1CN=C(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)S1 ZINC000093663014 670755013 /nfs/dbraw/zinc/75/50/13/670755013.db2.gz LTCAONOBBLXIKG-MRXNPFEDSA-N 1 1 360.527 2.132 20 10 FECDMO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000182307246 672443145 /nfs/dbraw/zinc/44/31/45/672443145.db2.gz MHEDCRZUOOYGME-INIZCTEOSA-N 1 1 356.463 2.358 20 10 FECDMO O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000182307246 672443148 /nfs/dbraw/zinc/44/31/48/672443148.db2.gz MHEDCRZUOOYGME-INIZCTEOSA-N 1 1 356.463 2.358 20 10 FECDMO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(Br)c2O)CC12COC2 ZINC000824489247 675605900 /nfs/dbraw/zinc/60/59/00/675605900.db2.gz IAEMKOBTLBXMSK-GFCCVEGCSA-N 1 1 370.243 2.166 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000825124680 675637823 /nfs/dbraw/zinc/63/78/23/675637823.db2.gz WAFBPIBWTWOIIQ-RNCFNFMXSA-N 1 1 350.293 2.054 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000830610312 677050596 /nfs/dbraw/zinc/05/05/96/677050596.db2.gz ZMXKPTHSFJPLIF-OKILXGFUSA-N 1 1 355.276 2.416 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000761229969 680715851 /nfs/dbraw/zinc/71/58/51/680715851.db2.gz WKYWUDVHEFJNPF-ZDUSSCGKSA-N 1 1 368.275 2.499 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)c1 ZINC000761229969 680715852 /nfs/dbraw/zinc/71/58/52/680715852.db2.gz WKYWUDVHEFJNPF-ZDUSSCGKSA-N 1 1 368.275 2.499 20 10 FECDMO COCCC[N@@H+](Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000840910945 680852185 /nfs/dbraw/zinc/85/21/85/680852185.db2.gz YBKTYJJHZIKECW-SFHVURJKSA-N 1 1 354.516 2.087 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000756739569 680495451 /nfs/dbraw/zinc/49/54/51/680495451.db2.gz OSIMYYKOWIFDNW-UBHSHLNASA-N 1 1 355.456 2.185 20 10 FECDMO O=C(NCCCSc1nccs1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000759586896 680657606 /nfs/dbraw/zinc/65/76/06/680657606.db2.gz WXVQBBWLXYSATJ-AWEZNQCLSA-N 1 1 370.544 2.132 20 10 FECDMO Cc1cc(Br)cc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1O ZINC000841891827 680916450 /nfs/dbraw/zinc/91/64/50/680916450.db2.gz PSFPVVYRNONGTB-CHWSQXEVSA-N 1 1 357.292 2.350 20 10 FECDMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c(O)c1 ZINC000768438257 680947034 /nfs/dbraw/zinc/94/70/34/680947034.db2.gz QQONLXGESODEMG-OAHLLOKOSA-N 1 1 356.488 2.085 20 10 FECDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768441346 680947107 /nfs/dbraw/zinc/94/71/07/680947107.db2.gz YOEYSUBLAIFAKV-HUUCEWRRSA-N 1 1 350.459 2.072 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1[O-] ZINC000842477875 680949328 /nfs/dbraw/zinc/94/93/28/680949328.db2.gz BYISGEFYNITDQT-AEFFLSMTSA-N 1 1 350.434 2.452 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1O ZINC000842477875 680949329 /nfs/dbraw/zinc/94/93/29/680949329.db2.gz BYISGEFYNITDQT-AEFFLSMTSA-N 1 1 350.434 2.452 20 10 FECDMO CN(C)c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC000843123584 680989082 /nfs/dbraw/zinc/98/90/82/680989082.db2.gz SDHPHSXIVXLNCB-INIZCTEOSA-N 1 1 356.436 2.251 20 10 FECDMO Fc1cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)ccc1N1CCOCC1 ZINC000770278688 681011512 /nfs/dbraw/zinc/01/15/12/681011512.db2.gz CMDVUZSLVVGQTF-MSOLQXFVSA-N 1 1 352.475 2.369 20 10 FECDMO CN1CCN(c2ccc(C[NH2+]Cc3ccc([S@@](C)=O)cc3)cc2)CC1 ZINC000771843388 681072030 /nfs/dbraw/zinc/07/20/30/681072030.db2.gz PMBOQKBPYIBUEX-RUZDIDTESA-N 1 1 357.523 2.466 20 10 FECDMO COc1c(O)c(C[NH2+]CCCOCC2CCOCC2)ccc1[N+](=O)[O-] ZINC000775026221 681269116 /nfs/dbraw/zinc/26/91/16/681269116.db2.gz ZPZMNBRCWQZOEK-UHFFFAOYSA-N 1 1 354.403 2.232 20 10 FECDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000775689791 681324305 /nfs/dbraw/zinc/32/43/05/681324305.db2.gz KLCAPQXWUMXZBZ-IAGOWNOFSA-N 1 1 357.420 2.326 20 10 FECDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000775689791 681324307 /nfs/dbraw/zinc/32/43/07/681324307.db2.gz KLCAPQXWUMXZBZ-IAGOWNOFSA-N 1 1 357.420 2.326 20 10 FECDMO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)c1O ZINC000848524851 681571415 /nfs/dbraw/zinc/57/14/15/681571415.db2.gz XWMXCMJKXQDCES-DGCLKSJQSA-N 1 1 373.291 2.271 20 10 FECDMO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000779177119 681686093 /nfs/dbraw/zinc/68/60/93/681686093.db2.gz FIVFPKHGTFBOFQ-CYBMUJFWSA-N 1 1 351.878 2.353 20 10 FECDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000790956979 682715970 /nfs/dbraw/zinc/71/59/70/682715970.db2.gz ZPQUVELQMYIHQP-JTQLQIEISA-N 1 1 369.776 2.443 20 10 FECDMO CN(C)c1ccc(C[N@H+](C)CC(=O)N2CCOCC2)c(C(F)(F)F)c1 ZINC000792776639 682839694 /nfs/dbraw/zinc/83/96/94/682839694.db2.gz JTTJVCQPTTVTDM-UHFFFAOYSA-N 1 1 359.392 2.062 20 10 FECDMO CN(C)c1ccc(C[N@@H+](C)CC(=O)N2CCOCC2)c(C(F)(F)F)c1 ZINC000792776639 682839700 /nfs/dbraw/zinc/83/97/00/682839700.db2.gz JTTJVCQPTTVTDM-UHFFFAOYSA-N 1 1 359.392 2.062 20 10 FECDMO COc1cccc(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000793265159 682876425 /nfs/dbraw/zinc/87/64/25/682876425.db2.gz GOQVJFOOBGYCOR-CQSZACIVSA-N 1 1 365.227 2.480 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000932024185 684393131 /nfs/dbraw/zinc/39/31/31/684393131.db2.gz GIUBAKFZCDFPAH-UGSOOPFHSA-N 1 1 350.390 2.444 20 10 FECDMO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C)[S@]1=O ZINC000877517809 686399023 /nfs/dbraw/zinc/39/90/23/686399023.db2.gz QMGAFSASIZAJCJ-ZCLJVBCSSA-N 1 1 350.528 2.379 20 10 FECDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C)[S@]1=O ZINC000877517809 686399027 /nfs/dbraw/zinc/39/90/27/686399027.db2.gz QMGAFSASIZAJCJ-ZCLJVBCSSA-N 1 1 350.528 2.379 20 10 FECDMO CN(CC[NH2+]Cc1cc(F)cc(F)c1O)S(=O)(=O)c1cccs1 ZINC000883071022 687556463 /nfs/dbraw/zinc/55/64/63/687556463.db2.gz MRMWPJMXTBREIO-UHFFFAOYSA-N 1 1 362.423 2.142 20 10 FECDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896458406 689878037 /nfs/dbraw/zinc/87/80/37/689878037.db2.gz BFBSCXXBOOVQJT-UHFFFAOYSA-N 1 1 358.423 2.008 20 10 FECDMO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000800851368 674082854 /nfs/dbraw/zinc/08/28/54/674082854.db2.gz LQACJBLTDOHCOS-QGZVFWFLSA-N 1 1 362.451 2.018 20 10 FECDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801508336 674132518 /nfs/dbraw/zinc/13/25/18/674132518.db2.gz OHZAEXDQUZOSJB-SFHVURJKSA-N 1 1 365.543 2.390 20 10 FECDMO C[C@H]([C@H](C)[N@H+](C)Cc1cc(Br)ccc1O)S(C)(=O)=O ZINC000093420069 542930906 /nfs/dbraw/zinc/93/09/06/542930906.db2.gz CXRYMYKROWGJSR-VHSXEESVSA-N 1 1 350.278 2.408 20 10 FECDMO C[C@H]([C@H](C)[N@@H+](C)Cc1cc(Br)ccc1O)S(C)(=O)=O ZINC000093420069 542930908 /nfs/dbraw/zinc/93/09/08/542930908.db2.gz CXRYMYKROWGJSR-VHSXEESVSA-N 1 1 350.278 2.408 20 10 FECDMO O=C(CN1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1)N1CCCC1 ZINC000129296164 544103749 /nfs/dbraw/zinc/10/37/49/544103749.db2.gz OTEHUHYKTKZDJY-UHFFFAOYSA-N 1 1 351.878 2.176 20 10 FECDMO C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[NH+]1CCSCC1 ZINC000133426773 544269230 /nfs/dbraw/zinc/26/92/30/544269230.db2.gz NFPXQLKXWYVKKX-WBVHZDCISA-N 1 1 364.511 2.337 20 10 FECDMO Cn1cc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000134269265 544301202 /nfs/dbraw/zinc/30/12/02/544301202.db2.gz SPMVFYOQWFYXRA-INIZCTEOSA-N 1 1 362.861 2.102 20 10 FECDMO C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CC[N@H+]1C ZINC000805187852 674325016 /nfs/dbraw/zinc/32/50/16/674325016.db2.gz YFNVQBWWTVXBHF-ZWNOBZJWSA-N 1 1 356.264 2.437 20 10 FECDMO C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C[NH+]1CCOCC1 ZINC000172549163 546258033 /nfs/dbraw/zinc/25/80/33/546258033.db2.gz JUVZOWSUIHJJJP-KRWDZBQOSA-N 1 1 360.502 2.054 20 10 FECDMO COc1cc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cc(OC)c1OC ZINC000183697328 547703755 /nfs/dbraw/zinc/70/37/55/547703755.db2.gz CZBSHDMPFWVSFR-UHFFFAOYSA-N 1 1 374.485 2.385 20 10 FECDMO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(F)cc1O ZINC000189165815 548297736 /nfs/dbraw/zinc/29/77/36/548297736.db2.gz PEEWEGQWJDCCAS-LBPRGKRZSA-N 1 1 353.415 2.148 20 10 FECDMO C[N@H+]1CCC[C@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000248065946 549405032 /nfs/dbraw/zinc/40/50/32/549405032.db2.gz MFJOLVBXBISXKJ-NTPJFSOPSA-N 1 1 369.509 2.479 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1 ZINC000271115789 550341855 /nfs/dbraw/zinc/34/18/55/550341855.db2.gz BOVLQJNXONOCGB-CABCVRRESA-N 1 1 350.459 2.154 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCNC(=O)c2cccc(O)c2)c1 ZINC000273600594 550504921 /nfs/dbraw/zinc/50/49/21/550504921.db2.gz RUDNEBKHVCBGIE-CYBMUJFWSA-N 1 1 372.421 2.355 20 10 FECDMO CCOC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278159847 550755643 /nfs/dbraw/zinc/75/56/43/550755643.db2.gz DMVYCSSCNAAGDS-UHFFFAOYSA-N 1 1 352.387 2.474 20 10 FECDMO C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1(C)C ZINC000282197889 551193726 /nfs/dbraw/zinc/19/37/26/551193726.db2.gz CLMCGYINYYCAKO-UHFFFAOYSA-N 1 1 356.854 2.069 20 10 FECDMO CCCC[N@@H+](CC(=O)NC1CCN(C(C)=O)CC1)Cc1ccccc1O ZINC000282348855 551215044 /nfs/dbraw/zinc/21/50/44/551215044.db2.gz CMKAGJZCXHVWRW-UHFFFAOYSA-N 1 1 361.486 2.121 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000284350603 551530368 /nfs/dbraw/zinc/53/03/68/551530368.db2.gz QBWDIEHJGRLYBN-ROUUACIJSA-N 1 1 373.497 2.264 20 10 FECDMO C[N@H+]1CCC[C@]2(CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C2)C1 ZINC000293844988 552861655 /nfs/dbraw/zinc/86/16/55/552861655.db2.gz CUMSLAWTOXVFSO-PABBZOGXSA-N 1 1 369.509 2.481 20 10 FECDMO O=S(=O)(CCO)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000294780416 552933623 /nfs/dbraw/zinc/93/36/23/552933623.db2.gz UJIGOIIVRIFDBH-UHFFFAOYSA-N 1 1 373.833 2.241 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(Cn1c[nH+]c3c1C[C@@H](C)[C@H](C)C3)cc2=O ZINC000295225333 552972016 /nfs/dbraw/zinc/97/20/16/552972016.db2.gz WFPGNERPUPGTMP-VXGBXAGGSA-N 1 1 369.425 2.227 20 10 FECDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000298725895 553464288 /nfs/dbraw/zinc/46/42/88/553464288.db2.gz OGHSCBBWZKOJCM-GOSISDBHSA-N 1 1 374.529 2.397 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)cc2=O ZINC000298784945 553472809 /nfs/dbraw/zinc/47/28/09/553472809.db2.gz VSDJBGOXLNMNRT-HNNXBMFYSA-N 1 1 355.398 2.277 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1c1ccc[nH]1)cc2=O ZINC000298784945 553472811 /nfs/dbraw/zinc/47/28/11/553472811.db2.gz VSDJBGOXLNMNRT-HNNXBMFYSA-N 1 1 355.398 2.277 20 10 FECDMO CC(C)n1nc2c(cc1=O)C[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000360075057 554861860 /nfs/dbraw/zinc/86/18/60/554861860.db2.gz KVBHROYIUQJRCJ-UHFFFAOYSA-N 1 1 368.481 2.219 20 10 FECDMO C[C@H](NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890340 554893717 /nfs/dbraw/zinc/89/37/17/554893717.db2.gz XXOKMCOSGLIHBW-SZMVWBNQSA-N 1 1 363.477 2.176 20 10 FECDMO C[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890340 554893720 /nfs/dbraw/zinc/89/37/20/554893720.db2.gz XXOKMCOSGLIHBW-SZMVWBNQSA-N 1 1 363.477 2.176 20 10 FECDMO CCC[N@H+]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000361567313 554925096 /nfs/dbraw/zinc/92/50/96/554925096.db2.gz VIECJBVQVJUNKI-RMKNXTFCSA-N 1 1 357.498 2.481 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363637028 555152012 /nfs/dbraw/zinc/15/20/12/555152012.db2.gz IRBJNSPJADJOMU-AQDCRGGLSA-N 1 1 355.482 2.233 20 10 FECDMO COc1ccc(N2CCC([NH2+][C@H](C)CCN3CCN(C)CC3)CC2)cc1 ZINC000364189315 555266249 /nfs/dbraw/zinc/26/62/49/555266249.db2.gz JDPWHJRUVXGTIP-GOSISDBHSA-N 1 1 360.546 2.280 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000364446322 555315690 /nfs/dbraw/zinc/31/56/90/555315690.db2.gz JVNFICQAXQLWPY-OAHLLOKOSA-N 1 1 371.393 2.200 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000365533972 555601432 /nfs/dbraw/zinc/60/14/32/555601432.db2.gz DIXYUGKGPOHGGC-HMXCVIKNSA-N 1 1 370.541 2.127 20 10 FECDMO COC[C@H](C)OC[C@@H](O)C[N@@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000365739421 555655991 /nfs/dbraw/zinc/65/59/91/555655991.db2.gz VFXHSXLOTAQZEW-LPHOPBHVSA-N 1 1 366.502 2.008 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@H]2Cn2nc(C)nc2C)ccc1[N+](=O)[O-] ZINC000365807891 555671889 /nfs/dbraw/zinc/67/18/89/555671889.db2.gz XOIAZFZBECDZGL-AWEZNQCLSA-N 1 1 361.402 2.182 20 10 FECDMO COc1cccc(CNC(=O)[C@]2([NH+](C)C)CCOc3ccccc32)c1O ZINC000366341000 555816166 /nfs/dbraw/zinc/81/61/66/555816166.db2.gz YGCSLXQBNMSCNC-FQEVSTJZSA-N 1 1 356.422 2.257 20 10 FECDMO Cc1cccc(C[N@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1O ZINC000367817670 556146883 /nfs/dbraw/zinc/14/68/83/556146883.db2.gz FEFBCCJPKSVCMR-KRWDZBQOSA-N 1 1 351.406 2.354 20 10 FECDMO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000369286741 556565177 /nfs/dbraw/zinc/56/51/77/556565177.db2.gz CKNFPNRUDVTNFS-UHFFFAOYSA-N 1 1 370.545 2.226 20 10 FECDMO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNCc1ccc(N(C)C)cc1 ZINC000369286741 556565181 /nfs/dbraw/zinc/56/51/81/556565181.db2.gz CKNFPNRUDVTNFS-UHFFFAOYSA-N 1 1 370.545 2.226 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369373455 556583354 /nfs/dbraw/zinc/58/33/54/556583354.db2.gz PFLKEGBEWNPLEE-SFHVURJKSA-N 1 1 374.529 2.482 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369373455 556583356 /nfs/dbraw/zinc/58/33/56/556583356.db2.gz PFLKEGBEWNPLEE-SFHVURJKSA-N 1 1 374.529 2.482 20 10 FECDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC12CCC2 ZINC000370085795 556776810 /nfs/dbraw/zinc/77/68/10/556776810.db2.gz XWVOEYIKXZFSBQ-LBPRGKRZSA-N 1 1 350.371 2.084 20 10 FECDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC12CCC2 ZINC000370085795 556776812 /nfs/dbraw/zinc/77/68/12/556776812.db2.gz XWVOEYIKXZFSBQ-LBPRGKRZSA-N 1 1 350.371 2.084 20 10 FECDMO C[C@H]1C[N@H+](C2CCN(C(=O)NCc3ccc4c(c3)CCN4C)CC2)CCO1 ZINC000372463142 557477290 /nfs/dbraw/zinc/47/72/90/557477290.db2.gz GFBQUGKYJIWVCL-INIZCTEOSA-N 1 1 372.513 2.074 20 10 FECDMO CC(C)(O)C[N@H+]1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC000372634726 557526480 /nfs/dbraw/zinc/52/64/80/557526480.db2.gz AKQBKWILTLNXSG-UHFFFAOYSA-N 1 1 357.292 2.433 20 10 FECDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000374258712 557853073 /nfs/dbraw/zinc/85/30/73/557853073.db2.gz WQEFXPAJHWTKPV-RTWAWAEBSA-N 1 1 370.497 2.345 20 10 FECDMO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)nn1 ZINC000375174373 557987392 /nfs/dbraw/zinc/98/73/92/557987392.db2.gz GJAHPNWAUPEIKJ-AWEZNQCLSA-N 1 1 361.421 2.107 20 10 FECDMO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCc2[nH+]ccn21 ZINC000377764430 558415228 /nfs/dbraw/zinc/41/52/28/558415228.db2.gz RILHVYUQXYVQTF-GOSISDBHSA-N 1 1 372.444 2.177 20 10 FECDMO CCc1nc(CN2CCC[C@@H]([N@@H+](C)Cc3cccc(OC)c3O)C2)no1 ZINC000378343340 558534439 /nfs/dbraw/zinc/53/44/39/558534439.db2.gz SZJPFIRVFGFNRF-OAHLLOKOSA-N 1 1 360.458 2.443 20 10 FECDMO CC(C)[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(N)=O ZINC000435857367 559931349 /nfs/dbraw/zinc/93/13/49/559931349.db2.gz TYWDQPRYJFJKDQ-HXUWFJFHSA-N 1 1 370.497 2.034 20 10 FECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000443989959 560098599 /nfs/dbraw/zinc/09/85/99/560098599.db2.gz NIFVCQSNRVBKHM-QGZVFWFLSA-N 1 1 368.525 2.476 20 10 FECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000443989959 560098604 /nfs/dbraw/zinc/09/86/04/560098604.db2.gz NIFVCQSNRVBKHM-QGZVFWFLSA-N 1 1 368.525 2.476 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000472242560 561021759 /nfs/dbraw/zinc/02/17/59/561021759.db2.gz UFDPLIRSEILFOM-UHFFFAOYSA-N 1 1 371.529 2.266 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)cc1OC ZINC000826181324 608546574 /nfs/dbraw/zinc/54/65/74/608546574.db2.gz UWVDEXPMTIUNID-UHFFFAOYSA-N 1 1 355.398 2.222 20 10 FECDMO CCN(C)c1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000815111361 674920320 /nfs/dbraw/zinc/92/03/20/674920320.db2.gz ATOXHNVNIJVXFY-UHFFFAOYSA-N 1 1 351.516 2.143 20 10 FECDMO CCN(C)c1ccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000815111361 674920322 /nfs/dbraw/zinc/92/03/22/674920322.db2.gz ATOXHNVNIJVXFY-UHFFFAOYSA-N 1 1 351.516 2.143 20 10 FECDMO CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)ccc1[O-] ZINC000817934700 675187094 /nfs/dbraw/zinc/18/70/94/675187094.db2.gz BEDUSZSSTJJRPH-HNNXBMFYSA-N 1 1 356.308 2.491 20 10 FECDMO CCC[C@H]1CN(Cc2cc(OC)c(OC)cc2O)CC[N@H+]1CCOC ZINC000160526309 672291870 /nfs/dbraw/zinc/29/18/70/672291870.db2.gz SEUCIHUAONJMCA-INIZCTEOSA-N 1 1 352.475 2.342 20 10 FECDMO CCC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)CCN1CCOC ZINC000160526309 672291874 /nfs/dbraw/zinc/29/18/74/672291874.db2.gz SEUCIHUAONJMCA-INIZCTEOSA-N 1 1 352.475 2.342 20 10 FECDMO CCC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)CCN1CCOC ZINC000160526309 672291877 /nfs/dbraw/zinc/29/18/77/672291877.db2.gz SEUCIHUAONJMCA-INIZCTEOSA-N 1 1 352.475 2.342 20 10 FECDMO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000742804722 673738440 /nfs/dbraw/zinc/73/84/40/673738440.db2.gz AZUWBTKYEYFCAW-KBPBESRZSA-N 1 1 353.413 2.325 20 10 FECDMO O=S1(=O)CC[C@H]([N@H+](Cc2ccc(Br)cc2O)C2CC2)C1 ZINC000824568014 675611049 /nfs/dbraw/zinc/61/10/49/675611049.db2.gz YNCVLVHEUZQEFS-ZDUSSCGKSA-N 1 1 360.273 2.306 20 10 FECDMO O=S1(=O)CC[C@H]([N@@H+](Cc2ccc(Br)cc2O)C2CC2)C1 ZINC000824568014 675611050 /nfs/dbraw/zinc/61/10/50/675611050.db2.gz YNCVLVHEUZQEFS-ZDUSSCGKSA-N 1 1 360.273 2.306 20 10 FECDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715540 675665215 /nfs/dbraw/zinc/66/52/15/675665215.db2.gz ADUDIXOQSIXXQC-WFASDCNBSA-N 1 1 374.275 2.001 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827141606 675733435 /nfs/dbraw/zinc/73/34/35/675733435.db2.gz VCRANLKBZGMELJ-ZWNOBZJWSA-N 1 1 369.259 2.264 20 10 FECDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828306207 675811896 /nfs/dbraw/zinc/81/18/96/675811896.db2.gz OWRHMBUUEUEJIR-SFHVURJKSA-N 1 1 365.543 2.499 20 10 FECDMO COc1cc(Br)cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1O ZINC000841892033 680916834 /nfs/dbraw/zinc/91/68/34/680916834.db2.gz SAFFZOWGEXJDAH-NEPJUHHUSA-N 1 1 373.291 2.050 20 10 FECDMO Cn1ncc(Cl)c1C[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839145595 680741462 /nfs/dbraw/zinc/74/14/62/680741462.db2.gz QLUXUBONQCOOAB-UHFFFAOYSA-N 1 1 356.804 2.478 20 10 FECDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146647 680741737 /nfs/dbraw/zinc/74/17/37/680741737.db2.gz PISUODMBBXUBBZ-UGSOOPFHSA-N 1 1 351.441 2.374 20 10 FECDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146647 680741739 /nfs/dbraw/zinc/74/17/39/680741739.db2.gz PISUODMBBXUBBZ-UGSOOPFHSA-N 1 1 351.441 2.374 20 10 FECDMO C[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)CC[N@H+]1C ZINC000764791052 680821377 /nfs/dbraw/zinc/82/13/77/680821377.db2.gz MBHWPGUTHXKIIR-CMPLNLGQSA-N 1 1 356.264 2.437 20 10 FECDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000841041381 680860708 /nfs/dbraw/zinc/86/07/08/680860708.db2.gz HQQMMIFQFIDOKV-OAHLLOKOSA-N 1 1 353.513 2.007 20 10 FECDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843434057 681003947 /nfs/dbraw/zinc/00/39/47/681003947.db2.gz QLHBLQVNOBFMMP-TZMCWYRMSA-N 1 1 360.376 2.127 20 10 FECDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843434057 681003950 /nfs/dbraw/zinc/00/39/50/681003950.db2.gz QLHBLQVNOBFMMP-TZMCWYRMSA-N 1 1 360.376 2.127 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)CC[C@H](C)SC)CC2)cc1 ZINC000773293724 681134576 /nfs/dbraw/zinc/13/45/76/681134576.db2.gz YEHZAINGWBYKOV-INIZCTEOSA-N 1 1 365.543 2.465 20 10 FECDMO C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000846191924 681198108 /nfs/dbraw/zinc/19/81/08/681198108.db2.gz ZWAWVABJBBZEKY-UWVGGRQHSA-N 1 1 352.378 2.096 20 10 FECDMO COC(=O)C(C)(C)N1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000779191441 681687052 /nfs/dbraw/zinc/68/70/52/681687052.db2.gz RBLKRVHBZRPAAQ-UHFFFAOYSA-N 1 1 356.850 2.123 20 10 FECDMO Cc1cc(Br)c(O)c(CN2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000783714121 682168775 /nfs/dbraw/zinc/16/87/75/682168775.db2.gz LUACQSZQGAYCJB-UHFFFAOYSA-N 1 1 357.292 2.352 20 10 FECDMO C[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1ccc(Br)cc1O ZINC000790740622 682698306 /nfs/dbraw/zinc/69/83/06/682698306.db2.gz ZNITXSFXONBUAK-SECBINFHSA-N 1 1 353.220 2.127 20 10 FECDMO C[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1cc(Br)ccc1O ZINC000790740633 682698444 /nfs/dbraw/zinc/69/84/44/682698444.db2.gz ZOWMTHZZCXAIEM-SECBINFHSA-N 1 1 353.220 2.127 20 10 FECDMO CCn1nccc1C[N@H+](CCO)Cc1cc(Br)ccc1O ZINC000793306613 682879266 /nfs/dbraw/zinc/87/92/66/682879266.db2.gz FMZOCVXTEZPSHP-UHFFFAOYSA-N 1 1 354.248 2.366 20 10 FECDMO CCn1nccc1C[N@@H+](CCO)Cc1cc(Br)ccc1O ZINC000793306613 682879272 /nfs/dbraw/zinc/87/92/72/682879272.db2.gz FMZOCVXTEZPSHP-UHFFFAOYSA-N 1 1 354.248 2.366 20 10 FECDMO CN(C)c1cc(F)c(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1F ZINC000858189847 682942285 /nfs/dbraw/zinc/94/22/85/682942285.db2.gz XEGIYQOXSQWQEP-UHFFFAOYSA-N 1 1 360.348 2.098 20 10 FECDMO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCN3CC(F)F)cc2)CC1 ZINC000858230971 682947334 /nfs/dbraw/zinc/94/73/34/682947334.db2.gz HUIZVSMPWYMQKI-GOSISDBHSA-N 1 1 352.473 2.258 20 10 FECDMO Fc1cc(C[NH2+]Cc2nc(Br)c[nH]2)ccc1N1CCOCC1 ZINC000921555562 683500814 /nfs/dbraw/zinc/50/08/14/683500814.db2.gz DOCJAKBKIRSXEF-UHFFFAOYSA-N 1 1 369.238 2.438 20 10 FECDMO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862391932 683583005 /nfs/dbraw/zinc/58/30/05/683583005.db2.gz XICNULGCTCHNHK-LLVKDONJSA-N 1 1 356.264 2.390 20 10 FECDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862391932 683583009 /nfs/dbraw/zinc/58/30/09/683583009.db2.gz XICNULGCTCHNHK-LLVKDONJSA-N 1 1 356.264 2.390 20 10 FECDMO Cc1ccc(C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)c(O)c1O ZINC000921846832 683589597 /nfs/dbraw/zinc/58/95/97/683589597.db2.gz GPQUEWDXWLUEDH-UHFFFAOYSA-N 1 1 350.459 2.369 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1 ZINC000865660068 684011836 /nfs/dbraw/zinc/01/18/36/684011836.db2.gz VSAMHGDMGHXTFE-ZDUSSCGKSA-N 1 1 357.292 2.398 20 10 FECDMO CN(C)c1ccc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)cc1 ZINC000876511804 686213603 /nfs/dbraw/zinc/21/36/03/686213603.db2.gz VOCAVJYYPCHAAT-UHFFFAOYSA-N 1 1 351.447 2.171 20 10 FECDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)cc1 ZINC000876511804 686213605 /nfs/dbraw/zinc/21/36/05/686213605.db2.gz VOCAVJYYPCHAAT-UHFFFAOYSA-N 1 1 351.447 2.171 20 10 FECDMO C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000883371607 687616002 /nfs/dbraw/zinc/61/60/02/687616002.db2.gz QVGYYNAQUISUPU-RDJZCZTQSA-N 1 1 367.921 2.493 20 10 FECDMO Cc1cc(Br)cc(CN2CCN(C)CC[N@H+](C)CC2)c1O ZINC000897857548 690091509 /nfs/dbraw/zinc/09/15/09/690091509.db2.gz ZWIKWNKDOSWQGV-UHFFFAOYSA-N 1 1 356.308 2.142 20 10 FECDMO CCOCCCNC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000052466734 540467405 /nfs/dbraw/zinc/46/74/05/540467405.db2.gz VGBXSIPTZWUVIC-QGZVFWFLSA-N 1 1 363.502 2.139 20 10 FECDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081765550 542676342 /nfs/dbraw/zinc/67/63/42/542676342.db2.gz SCJILXMLBMUXOX-TZIWHRDSSA-N 1 1 371.525 2.386 20 10 FECDMO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000097174772 543006926 /nfs/dbraw/zinc/00/69/26/543006926.db2.gz WHBMWTYXSWPCNB-IBGZPJMESA-N 1 1 374.529 2.397 20 10 FECDMO C[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccccc1O ZINC000109773091 543338602 /nfs/dbraw/zinc/33/86/02/543338602.db2.gz JLNSDZSKDWBBFD-UHFFFAOYSA-N 1 1 353.422 2.355 20 10 FECDMO C[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)Cc1ccccc1O ZINC000109773091 543338605 /nfs/dbraw/zinc/33/86/05/543338605.db2.gz JLNSDZSKDWBBFD-UHFFFAOYSA-N 1 1 353.422 2.355 20 10 FECDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000115439775 543567322 /nfs/dbraw/zinc/56/73/22/543567322.db2.gz GLXNOYBSCNTHSZ-VQFGERMISA-N 1 1 357.498 2.337 20 10 FECDMO COc1ccc(N2CCC([NH2+]C[C@@H](C)CN3CCN(C)CC3)CC2)cc1 ZINC000120920536 543686804 /nfs/dbraw/zinc/68/68/04/543686804.db2.gz MNTUQDCJNVCAKT-GOSISDBHSA-N 1 1 360.546 2.137 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](C)c1cccnc1)cc2=O ZINC000127878037 544019000 /nfs/dbraw/zinc/01/90/00/544019000.db2.gz CCFFMSOGNPXXNJ-GFCCVEGCSA-N 1 1 355.398 2.200 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@H](C)c1cccnc1)cc2=O ZINC000127878037 544019001 /nfs/dbraw/zinc/01/90/01/544019001.db2.gz CCFFMSOGNPXXNJ-GFCCVEGCSA-N 1 1 355.398 2.200 20 10 FECDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000247500707 549344723 /nfs/dbraw/zinc/34/47/23/549344723.db2.gz VADBEIADBONWNZ-NSSMGOSVSA-N 1 1 355.482 2.232 20 10 FECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1=COCCO1 ZINC000134265867 544301016 /nfs/dbraw/zinc/30/10/16/544301016.db2.gz IMAYDQSZUROHBH-CQSZACIVSA-N 1 1 352.818 2.014 20 10 FECDMO CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134934376 544328557 /nfs/dbraw/zinc/32/85/57/544328557.db2.gz HVGDNNVRYWKKCO-WIYYLYMNSA-N 1 1 370.541 2.318 20 10 FECDMO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(C)n1-c1ccccn1 ZINC000150733726 544465855 /nfs/dbraw/zinc/46/58/55/544465855.db2.gz YRFAXSMFAICHBD-OAHLLOKOSA-N 1 1 356.470 2.187 20 10 FECDMO COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCN(C)[C@H](C)C3)CC2)cc1 ZINC000162784810 546141942 /nfs/dbraw/zinc/14/19/42/546141942.db2.gz XCRDRLLMLJBTBX-RTBURBONSA-N 1 1 360.546 2.280 20 10 FECDMO CC[N@H+](Cc1cc(Br)cc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179562132 546976403 /nfs/dbraw/zinc/97/64/03/546976403.db2.gz OHNYMDWRNRIKGK-CYBMUJFWSA-N 1 1 362.289 2.472 20 10 FECDMO CC[N@@H+](Cc1cc(Br)cc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179562132 546976407 /nfs/dbraw/zinc/97/64/07/546976407.db2.gz OHNYMDWRNRIKGK-CYBMUJFWSA-N 1 1 362.289 2.472 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1OC ZINC000180727862 547168295 /nfs/dbraw/zinc/16/82/95/547168295.db2.gz VSFXBVPPKJFIKL-SCLBCKFNSA-N 1 1 361.442 2.089 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](Cc1ccccn1)C1CC1)cc2=O ZINC000180872894 547198591 /nfs/dbraw/zinc/19/85/91/547198591.db2.gz ITYOJCLNIGXJCK-UHFFFAOYSA-N 1 1 367.409 2.171 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](Cc1ccccn1)C1CC1)cc2=O ZINC000180872894 547198596 /nfs/dbraw/zinc/19/85/96/547198596.db2.gz ITYOJCLNIGXJCK-UHFFFAOYSA-N 1 1 367.409 2.171 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@@H](CO)c2ccccc2)cc1 ZINC000264020615 549969331 /nfs/dbraw/zinc/96/93/31/549969331.db2.gz MCWKZSVIMCPZKN-FQEVSTJZSA-N 1 1 355.482 2.376 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H](CO)c2ccccc2)cc1 ZINC000264020615 549969332 /nfs/dbraw/zinc/96/93/32/549969332.db2.gz MCWKZSVIMCPZKN-FQEVSTJZSA-N 1 1 355.482 2.376 20 10 FECDMO COc1cc(NC(=O)C[N@H+](C)Cc2ccccc2O)cc(OC)c1OC ZINC000264635836 549999139 /nfs/dbraw/zinc/99/91/39/549999139.db2.gz WHEBWGHVAVFPJG-UHFFFAOYSA-N 1 1 360.410 2.489 20 10 FECDMO COc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2O)cc(OC)c1OC ZINC000264635836 549999142 /nfs/dbraw/zinc/99/91/42/549999142.db2.gz WHEBWGHVAVFPJG-UHFFFAOYSA-N 1 1 360.410 2.489 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000264657195 549999777 /nfs/dbraw/zinc/99/97/77/549999777.db2.gz SCJFTGAOJQRKLJ-QYDWLILUSA-N 1 1 355.482 2.137 20 10 FECDMO CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC000269285308 550176407 /nfs/dbraw/zinc/17/64/07/550176407.db2.gz HWNQTYIWYBHUTO-SJORKVTESA-N 1 1 362.493 2.101 20 10 FECDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000273613449 550505266 /nfs/dbraw/zinc/50/52/66/550505266.db2.gz WVDGIIYDKZFFDT-GOEBONIOSA-N 1 1 350.459 2.066 20 10 FECDMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278294362 550769908 /nfs/dbraw/zinc/76/99/08/550769908.db2.gz VCJZJVJRLYOQRZ-ZDUSSCGKSA-N 1 1 351.403 2.047 20 10 FECDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278294362 550769910 /nfs/dbraw/zinc/76/99/10/550769910.db2.gz VCJZJVJRLYOQRZ-ZDUSSCGKSA-N 1 1 351.403 2.047 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278302424 550770762 /nfs/dbraw/zinc/77/07/62/550770762.db2.gz WAMPXWGLMIZDIL-GFCCVEGCSA-N 1 1 352.387 2.473 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000278529339 550795582 /nfs/dbraw/zinc/79/55/82/550795582.db2.gz URBJSAGSEKLSEF-WBMJQRKESA-N 1 1 354.428 2.453 20 10 FECDMO COCCCn1nccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000282894217 551282675 /nfs/dbraw/zinc/28/26/75/551282675.db2.gz YFQQPQRSMBWIHP-UHFFFAOYSA-N 1 1 358.486 2.388 20 10 FECDMO COCCCn1nccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000282894217 551282676 /nfs/dbraw/zinc/28/26/76/551282676.db2.gz YFQQPQRSMBWIHP-UHFFFAOYSA-N 1 1 358.486 2.388 20 10 FECDMO c1nc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)sc1C1OCCO1 ZINC000289198763 552280932 /nfs/dbraw/zinc/28/09/32/552280932.db2.gz HNKIBDMBVKJCEX-UHFFFAOYSA-N 1 1 361.467 2.315 20 10 FECDMO CN(CC[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC[NH+](C)CC1 ZINC000289543699 552338289 /nfs/dbraw/zinc/33/82/89/552338289.db2.gz WZFKGQZUCIMBML-UHFFFAOYSA-N 1 1 370.881 2.412 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+]3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000295694904 553045869 /nfs/dbraw/zinc/04/58/69/553045869.db2.gz IOODMVCEZAMGMC-LJQANCHMSA-N 1 1 366.527 2.311 20 10 FECDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000295694904 553045870 /nfs/dbraw/zinc/04/58/70/553045870.db2.gz IOODMVCEZAMGMC-LJQANCHMSA-N 1 1 366.527 2.311 20 10 FECDMO COCCOC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CCOCC1 ZINC000296643760 553192455 /nfs/dbraw/zinc/19/24/55/553192455.db2.gz YFWFBHKUFXXQOF-CQSZACIVSA-N 1 1 367.442 2.042 20 10 FECDMO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(O)c1O ZINC000365007655 555463355 /nfs/dbraw/zinc/46/33/55/555463355.db2.gz AYSJSBLRGQIMGW-INIZCTEOSA-N 1 1 355.438 2.443 20 10 FECDMO CC(C)N1C(=O)N[C@@]2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)C1=O ZINC000366529173 555869138 /nfs/dbraw/zinc/86/91/38/555869138.db2.gz NTIOQIJWXLAOIP-HXUWFJFHSA-N 1 1 353.422 2.450 20 10 FECDMO CCc1nc(CN2C[C@@H]3C[N@@H+]([C@@H](C)c4cc(OC)ccc4O)C[C@@H]3C2)no1 ZINC000368017603 556196494 /nfs/dbraw/zinc/19/64/94/556196494.db2.gz HVUZCFXKTQLQDE-SOUVJXGZSA-N 1 1 372.469 2.471 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000368629809 556368684 /nfs/dbraw/zinc/36/86/84/556368684.db2.gz BJEDXDCGLHAXIS-IBGZPJMESA-N 1 1 352.482 2.328 20 10 FECDMO O=C(C[N@H+]1CC2CCC1CC2)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000371392004 557171590 /nfs/dbraw/zinc/17/15/90/557171590.db2.gz HDCFPZSCSQMTLN-UHFFFAOYSA-N 1 1 361.461 2.153 20 10 FECDMO COc1c(O)c(C[N@H+](C)C2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC000373210428 557650651 /nfs/dbraw/zinc/65/06/51/557650651.db2.gz ZGVDDWFBZBCWKX-UHFFFAOYSA-N 1 1 373.413 2.200 20 10 FECDMO COc1c(O)c(C[N@@H+](C)C2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC000373210428 557650652 /nfs/dbraw/zinc/65/06/52/557650652.db2.gz ZGVDDWFBZBCWKX-UHFFFAOYSA-N 1 1 373.413 2.200 20 10 FECDMO CCc1nc(CN2CCC[C@@H]([N@@H+](C)Cc3cc(OC)ccc3O)C2)no1 ZINC000374999756 557961910 /nfs/dbraw/zinc/96/19/10/557961910.db2.gz RWSVJAXMMLWSGJ-OAHLLOKOSA-N 1 1 360.458 2.443 20 10 FECDMO CCOC(=O)C1(S(C)(=O)=O)CC[NH+]([C@H](CC)c2ccccc2O)CC1 ZINC000377693979 558399363 /nfs/dbraw/zinc/39/93/63/558399363.db2.gz KJZMNGHQJSYEKX-OAHLLOKOSA-N 1 1 369.483 2.286 20 10 FECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000412393315 559032959 /nfs/dbraw/zinc/03/29/59/559032959.db2.gz HAHQQVVLAWXEBY-INIZCTEOSA-N 1 1 356.514 2.474 20 10 FECDMO C[N@@H+](CCC(=O)Nc1ccccc1-c1nn[nH]n1)Cc1ccccc1O ZINC000736793091 598617517 /nfs/dbraw/zinc/61/75/17/598617517.db2.gz RLYAIHGPLVOVTK-UHFFFAOYSA-N 1 1 352.398 2.033 20 10 FECDMO C[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccc1O ZINC000736791249 598617894 /nfs/dbraw/zinc/61/78/94/598617894.db2.gz BTZINAWTJGZBQZ-UHFFFAOYSA-N 1 1 358.427 2.094 20 10 FECDMO C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000833812607 605993124 /nfs/dbraw/zinc/99/31/24/605993124.db2.gz KPUJHAOMCIYRGZ-AEFFLSMTSA-N 1 1 360.502 2.307 20 10 FECDMO Oc1ccccc1C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826511072 608873336 /nfs/dbraw/zinc/87/33/36/608873336.db2.gz AUNLXHWQGKOLGH-UHFFFAOYSA-N 1 1 350.426 2.285 20 10 FECDMO CC[N@@H+]1CC[C@H]2OCCN(Cc3cccc(Br)c3O)[C@H]2C1 ZINC000816639283 675069998 /nfs/dbraw/zinc/06/99/98/675069998.db2.gz MYUZQEHHHZCGPC-LSDHHAIUSA-N 1 1 355.276 2.450 20 10 FECDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cccc(Br)c3O)[C@H]2C1 ZINC000816639283 675070001 /nfs/dbraw/zinc/07/00/01/675070001.db2.gz MYUZQEHHHZCGPC-LSDHHAIUSA-N 1 1 355.276 2.450 20 10 FECDMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cc(Cl)ccc1O ZINC000816624745 675069470 /nfs/dbraw/zinc/06/94/70/675069470.db2.gz GMMRWNGUPXFIJL-UHFFFAOYSA-N 1 1 370.858 2.204 20 10 FECDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000093531368 670753199 /nfs/dbraw/zinc/75/31/99/670753199.db2.gz FTSZUPSKPOOKMM-KRWDZBQOSA-N 1 1 353.532 2.437 20 10 FECDMO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093610659 670754194 /nfs/dbraw/zinc/75/41/94/670754194.db2.gz YKHQIEITESDQDE-HNNXBMFYSA-N 1 1 368.474 2.143 20 10 FECDMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093610659 670754199 /nfs/dbraw/zinc/75/41/99/670754199.db2.gz YKHQIEITESDQDE-HNNXBMFYSA-N 1 1 368.474 2.143 20 10 FECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1(O)CCCC1 ZINC000134266717 672121472 /nfs/dbraw/zinc/12/14/72/672121472.db2.gz MQIRTPFSJZPSQM-HNNXBMFYSA-N 1 1 352.862 2.431 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](OCCO)C2)c1O ZINC000179571428 672403419 /nfs/dbraw/zinc/40/34/19/672403419.db2.gz ANHKZMQJRXCGAQ-CYBMUJFWSA-N 1 1 360.248 2.137 20 10 FECDMO CCN(CC)c1ccc(CNC(=O)NCC[NH+]2CCSCC2)cc1 ZINC000732890199 673388630 /nfs/dbraw/zinc/38/86/30/673388630.db2.gz XXUYMYPVUZJYGF-UHFFFAOYSA-N 1 1 350.532 2.381 20 10 FECDMO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825536801 675658052 /nfs/dbraw/zinc/65/80/52/675658052.db2.gz NJDKJJUYFCQAME-ZDUSSCGKSA-N 1 1 356.308 2.270 20 10 FECDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826023823 675678289 /nfs/dbraw/zinc/67/82/89/675678289.db2.gz HXOHSIVJRRJDFC-NSHDSACASA-N 1 1 355.232 2.429 20 10 FECDMO OCc1cn([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3O)C2)nn1 ZINC000826016747 675678149 /nfs/dbraw/zinc/67/81/49/675678149.db2.gz LJNORNOWXAPRJF-AWEZNQCLSA-N 1 1 367.247 2.076 20 10 FECDMO COC(=O)N(C)CC[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000827335758 675748893 /nfs/dbraw/zinc/74/88/93/675748893.db2.gz YDEOQWAHJALUDF-UHFFFAOYSA-N 1 1 361.236 2.293 20 10 FECDMO Cc1cc(C[N@@H+](C)CCN2CCCS2(=O)=O)ccc1N1CCCCC1 ZINC000827957498 675788902 /nfs/dbraw/zinc/78/89/02/675788902.db2.gz NHCCKUOUMKPNIM-UHFFFAOYSA-N 1 1 365.543 2.453 20 10 FECDMO C[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)CC[N@H+]1C ZINC000764791053 680821283 /nfs/dbraw/zinc/82/12/83/680821283.db2.gz MBHWPGUTHXKIIR-JQWIXIFHSA-N 1 1 356.264 2.437 20 10 FECDMO COCCC[N@@H+](Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000840910944 680852302 /nfs/dbraw/zinc/85/23/02/680852302.db2.gz YBKTYJJHZIKECW-GOSISDBHSA-N 1 1 354.516 2.087 20 10 FECDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000841041380 680860735 /nfs/dbraw/zinc/86/07/35/680860735.db2.gz HQQMMIFQFIDOKV-HNNXBMFYSA-N 1 1 353.513 2.007 20 10 FECDMO COCCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000835024646 680286475 /nfs/dbraw/zinc/28/64/75/680286475.db2.gz ACJMIOFTBNNWGR-OQBYNLHGSA-N 1 1 366.527 2.291 20 10 FECDMO COCCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000835024646 680286476 /nfs/dbraw/zinc/28/64/76/680286476.db2.gz ACJMIOFTBNNWGR-OQBYNLHGSA-N 1 1 366.527 2.291 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000766224196 680870947 /nfs/dbraw/zinc/87/09/47/680870947.db2.gz MJPCYQOSAYDGOO-UHFFFAOYSA-N 1 1 355.276 2.418 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1[O-] ZINC000842478540 680949517 /nfs/dbraw/zinc/94/95/17/680949517.db2.gz HTZBVJAYDMWFPV-HKUYNNGSSA-N 1 1 350.434 2.452 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1O ZINC000842478540 680949518 /nfs/dbraw/zinc/94/95/18/680949518.db2.gz HTZBVJAYDMWFPV-HKUYNNGSSA-N 1 1 350.434 2.452 20 10 FECDMO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000845060313 681100904 /nfs/dbraw/zinc/10/09/04/681100904.db2.gz GDMTYVBHAXFKGZ-HZPDHXFCSA-N 1 1 367.877 2.488 20 10 FECDMO COc1cc(O)c(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000775649148 681321366 /nfs/dbraw/zinc/32/13/66/681321366.db2.gz LZCSAMVUCYULJE-INIZCTEOSA-N 1 1 350.459 2.096 20 10 FECDMO COc1cc(O)c(C[N@@H+]2CCCN(C[C@@H]3CCCO3)CC2)cc1OC ZINC000775649148 681321369 /nfs/dbraw/zinc/32/13/69/681321369.db2.gz LZCSAMVUCYULJE-INIZCTEOSA-N 1 1 350.459 2.096 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCN(C[C@@H]3CCCO3)CC2)cc1OC ZINC000775649148 681321376 /nfs/dbraw/zinc/32/13/76/681321376.db2.gz LZCSAMVUCYULJE-INIZCTEOSA-N 1 1 350.459 2.096 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)c3cncs3)CC2)cc1 ZINC000934200744 681525223 /nfs/dbraw/zinc/52/52/23/681525223.db2.gz HLKMHZMHSOXPIU-AWEZNQCLSA-N 1 1 360.483 2.151 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)c1 ZINC000850496504 681908528 /nfs/dbraw/zinc/90/85/28/681908528.db2.gz OOZAWSPTTBYRNS-XQHREBAHSA-N 1 1 353.362 2.140 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)c1 ZINC000850502905 681909178 /nfs/dbraw/zinc/90/91/78/681909178.db2.gz SQDVTGYHOSYVJL-YOKBYHGQSA-N 1 1 351.443 2.396 20 10 FECDMO CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852746514 682335236 /nfs/dbraw/zinc/33/52/36/682335236.db2.gz MIZKQGYOWQVFRL-CQSZACIVSA-N 1 1 355.276 2.498 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852746514 682335239 /nfs/dbraw/zinc/33/52/39/682335239.db2.gz MIZKQGYOWQVFRL-CQSZACIVSA-N 1 1 355.276 2.498 20 10 FECDMO Cc1cc(Br)c(O)c(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000793586127 682897002 /nfs/dbraw/zinc/89/70/02/682897002.db2.gz GCJFXPWLOMTDNB-CHWSQXEVSA-N 1 1 357.292 2.350 20 10 FECDMO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000858434866 682968265 /nfs/dbraw/zinc/96/82/65/682968265.db2.gz RKEGXKAHIOBWPI-SUMWQHHRSA-N 1 1 364.877 2.294 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC(F)(F)C[C@H]1C)cc2=O ZINC000859838955 683162894 /nfs/dbraw/zinc/16/28/94/683162894.db2.gz ATRSSCCDVKMNOL-SNVBAGLBSA-N 1 1 354.357 2.231 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC(F)(F)C[C@H]1C)cc2=O ZINC000859838955 683162897 /nfs/dbraw/zinc/16/28/97/683162897.db2.gz ATRSSCCDVKMNOL-SNVBAGLBSA-N 1 1 354.357 2.231 20 10 FECDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000862475235 683593809 /nfs/dbraw/zinc/59/38/09/683593809.db2.gz DIQJDUJAKMOMRQ-IBGZPJMESA-N 1 1 351.443 2.462 20 10 FECDMO CN(C)Cc1csc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000922491443 683734349 /nfs/dbraw/zinc/73/43/49/683734349.db2.gz NGFNJOAXQZYRQD-UHFFFAOYSA-N 1 1 364.490 2.470 20 10 FECDMO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000925153691 684530860 /nfs/dbraw/zinc/53/08/60/684530860.db2.gz ZRRPFMVBDCTOHX-RCBQFDQVSA-N 1 1 365.499 2.341 20 10 FECDMO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877499289 686391704 /nfs/dbraw/zinc/39/17/04/686391704.db2.gz FAFWCPSLGDXPFB-IBGZPJMESA-N 1 1 366.527 2.047 20 10 FECDMO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877499289 686391711 /nfs/dbraw/zinc/39/17/11/686391711.db2.gz FAFWCPSLGDXPFB-IBGZPJMESA-N 1 1 366.527 2.047 20 10 FECDMO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000877694359 686438047 /nfs/dbraw/zinc/43/80/47/686438047.db2.gz AXMDEDICGYLFOB-IBGZPJMESA-N 1 1 351.443 2.260 20 10 FECDMO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2cccc(C)c2O)CCO1 ZINC000877694359 686438052 /nfs/dbraw/zinc/43/80/52/686438052.db2.gz AXMDEDICGYLFOB-IBGZPJMESA-N 1 1 351.443 2.260 20 10 FECDMO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2cc(C)ccc2O)CCO1 ZINC000877694833 686439002 /nfs/dbraw/zinc/43/90/02/686439002.db2.gz HBNCBNOYXPEHNK-IBGZPJMESA-N 1 1 351.443 2.260 20 10 FECDMO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2cc(C)ccc2O)CCO1 ZINC000877694833 686439006 /nfs/dbraw/zinc/43/90/06/686439006.db2.gz HBNCBNOYXPEHNK-IBGZPJMESA-N 1 1 351.443 2.260 20 10 FECDMO C[C@H]([NH2+]CCN(C)CCOCCO)c1cc(Cl)c(Cl)cc1O ZINC000883351047 687612815 /nfs/dbraw/zinc/61/28/15/687612815.db2.gz WFAKDRMVPIBCDQ-NSHDSACASA-N 1 1 351.274 2.290 20 10 FECDMO O=C1N=NCN1C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894611210 689565386 /nfs/dbraw/zinc/56/53/86/689565386.db2.gz LAPLYLKIZVOYTK-UHFFFAOYSA-N 1 1 371.210 2.428 20 10 FECDMO COC[C@@H]1CC[C@H]([C@H]2COCC[N@@H+]2Cc2cc(OC)c(C)cc2O)O1 ZINC000902536642 690775979 /nfs/dbraw/zinc/77/59/79/690775979.db2.gz IRRIKAAIWNGERK-LZLYRXPVSA-N 1 1 351.443 2.104 20 10 FECDMO COC[C@@H]1CC[C@H]([C@H]2COCC[N@H+]2Cc2cc(OC)c(C)cc2O)O1 ZINC000902536642 690775983 /nfs/dbraw/zinc/77/59/83/690775983.db2.gz IRRIKAAIWNGERK-LZLYRXPVSA-N 1 1 351.443 2.104 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)cc1OC ZINC000905700049 691164575 /nfs/dbraw/zinc/16/45/75/691164575.db2.gz DGJWBUMCHZIRJR-ACJLOTCBSA-N 1 1 350.415 2.120 20 10 FECDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC12COC2 ZINC000824489726 675606157 /nfs/dbraw/zinc/60/61/57/675606157.db2.gz QNUXMEKVTZPRGX-ZDUSSCGKSA-N 1 1 370.243 2.166 20 10 FECDMO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3ncccn3)CC2)cc1 ZINC000077241634 542358237 /nfs/dbraw/zinc/35/82/37/542358237.db2.gz RHFWRWWNBVJRIN-OAHLLOKOSA-N 1 1 355.442 2.025 20 10 FECDMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3ncccn3)CC2)cc1 ZINC000077241634 542358241 /nfs/dbraw/zinc/35/82/41/542358241.db2.gz RHFWRWWNBVJRIN-OAHLLOKOSA-N 1 1 355.442 2.025 20 10 FECDMO c1c[nH+]c(NCc2ccc(N3CCOCC3)cc2)c(N2CCOCC2)c1 ZINC000359867505 132375598 /nfs/dbraw/zinc/37/55/98/132375598.db2.gz JGFIETVPGZAVAF-UHFFFAOYSA-N 1 1 354.454 2.367 20 10 FECDMO CN(Cc1ccccc1O)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000104853139 543147599 /nfs/dbraw/zinc/14/75/99/543147599.db2.gz GPMFFMFDNVDGKF-FQEVSTJZSA-N 1 1 353.466 2.339 20 10 FECDMO O=S(=O)(CCCF)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161827217 546133690 /nfs/dbraw/zinc/13/36/90/546133690.db2.gz XZUVWIPEPRHRBW-AWEZNQCLSA-N 1 1 364.870 2.289 20 10 FECDMO Cc1cc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000174186741 546292493 /nfs/dbraw/zinc/29/24/93/546292493.db2.gz UFVWSJSXCGRJDV-GOSISDBHSA-N 1 1 368.481 2.283 20 10 FECDMO COc1ccc(O)c(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 ZINC000179882584 547023648 /nfs/dbraw/zinc/02/36/48/547023648.db2.gz LRRVIRRGFXQANZ-GFCCVEGCSA-N 1 1 350.440 2.241 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(O)c1 ZINC000179893705 547025995 /nfs/dbraw/zinc/02/59/95/547025995.db2.gz QAPOTGGVCKGZPJ-QGZVFWFLSA-N 1 1 362.470 2.252 20 10 FECDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000181555996 547335148 /nfs/dbraw/zinc/33/51/48/547335148.db2.gz IQUXVJGJKOASCT-SFHVURJKSA-N 1 1 351.516 2.191 20 10 FECDMO Cc1cc(C(=O)CN2CC[NH+](C[C@@H](C)O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000189380408 548301543 /nfs/dbraw/zinc/30/15/43/548301543.db2.gz FTPLJNJOOOBGFI-MRXNPFEDSA-N 1 1 373.472 2.414 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000245608185 548957297 /nfs/dbraw/zinc/95/72/97/548957297.db2.gz ACYXHKRKNQRQQJ-YQQAZPJKSA-N 1 1 364.486 2.483 20 10 FECDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000268165388 550037013 /nfs/dbraw/zinc/03/70/13/550037013.db2.gz PMNWRBWZVQYLPU-OXJNMPFZSA-N 1 1 372.513 2.147 20 10 FECDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268197470 550037898 /nfs/dbraw/zinc/03/78/98/550037898.db2.gz NZHXABINNPQSBF-NWTWXJSOSA-N 1 1 355.482 2.135 20 10 FECDMO Nc1nsc(N2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)n1 ZINC000271272258 550359556 /nfs/dbraw/zinc/35/95/56/550359556.db2.gz NPNVFZTWXPSFHA-UHFFFAOYSA-N 1 1 358.515 2.433 20 10 FECDMO Cc1[nH+]ccn1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000272097919 550422950 /nfs/dbraw/zinc/42/29/50/550422950.db2.gz WILVUJPQLFEJMB-LJQANCHMSA-N 1 1 356.470 2.465 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000273109565 550485429 /nfs/dbraw/zinc/48/54/29/550485429.db2.gz NMLHRPXPBQAJFN-LJQANCHMSA-N 1 1 359.445 2.173 20 10 FECDMO COc1ccc(N2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)cc1 ZINC000273426451 550498177 /nfs/dbraw/zinc/49/81/77/550498177.db2.gz KJEOKMBCVAJFOW-UHFFFAOYSA-N 1 1 354.454 2.119 20 10 FECDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000273613450 550505191 /nfs/dbraw/zinc/50/51/91/550505191.db2.gz WVDGIIYDKZFFDT-HOCLYGCPSA-N 1 1 350.459 2.066 20 10 FECDMO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000273795755 550511544 /nfs/dbraw/zinc/51/15/44/550511544.db2.gz WAVVYMAOBIZNOM-ZDUSSCGKSA-N 1 1 354.248 2.191 20 10 FECDMO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000273795755 550511546 /nfs/dbraw/zinc/51/15/46/550511546.db2.gz WAVVYMAOBIZNOM-ZDUSSCGKSA-N 1 1 354.248 2.191 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277743028 550709023 /nfs/dbraw/zinc/70/90/23/550709023.db2.gz KZPJHQSUBPYKCW-WMLDXEAASA-N 1 1 373.419 2.004 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277743028 550709024 /nfs/dbraw/zinc/70/90/24/550709024.db2.gz KZPJHQSUBPYKCW-WMLDXEAASA-N 1 1 373.419 2.004 20 10 FECDMO COc1c(O)c(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000278133779 550752758 /nfs/dbraw/zinc/75/27/58/550752758.db2.gz CPLMAIZOLUZHQB-UHFFFAOYSA-N 1 1 361.402 2.099 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000278238643 550764122 /nfs/dbraw/zinc/76/41/22/550764122.db2.gz NOSZZTFHFJUVAC-CQSZACIVSA-N 1 1 363.414 2.047 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000278238643 550764123 /nfs/dbraw/zinc/76/41/23/550764123.db2.gz NOSZZTFHFJUVAC-CQSZACIVSA-N 1 1 363.414 2.047 20 10 FECDMO C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280972993 551050878 /nfs/dbraw/zinc/05/08/78/551050878.db2.gz TYBJILSFEVMWDG-AWEZNQCLSA-N 1 1 358.452 2.497 20 10 FECDMO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)N1CCN(C)CC1 ZINC000281005058 551053808 /nfs/dbraw/zinc/05/38/08/551053808.db2.gz WFTUMUGAVYGSBZ-AWEZNQCLSA-N 1 1 358.452 2.497 20 10 FECDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000281179570 551071504 /nfs/dbraw/zinc/07/15/04/551071504.db2.gz HOFPZPORYOCLAP-YPMHNXCESA-N 1 1 355.232 2.393 20 10 FECDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283361116 551353712 /nfs/dbraw/zinc/35/37/12/551353712.db2.gz FFHQGSJVRZXXPN-KRWDZBQOSA-N 1 1 374.529 2.140 20 10 FECDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000290746273 552530427 /nfs/dbraw/zinc/53/04/27/552530427.db2.gz RYZBAPWCRGMDTJ-YLJYHZDGSA-N 1 1 372.513 2.291 20 10 FECDMO NC(=O)c1ccc(N2CCN(Cc3cc(Cl)c(F)cc3O)CC2)nc1 ZINC000295220176 552971095 /nfs/dbraw/zinc/97/10/95/552971095.db2.gz BPLPXWYOGUZOQI-UHFFFAOYSA-N 1 1 364.808 2.001 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(Cn1c[nH+]c3c1C[C@H](C)[C@@H](C)C3)cc2=O ZINC000295225326 552971926 /nfs/dbraw/zinc/97/19/26/552971926.db2.gz WFPGNERPUPGTMP-RYUDHWBXSA-N 1 1 369.425 2.227 20 10 FECDMO COc1c(O)c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000365817426 555674221 /nfs/dbraw/zinc/67/42/21/555674221.db2.gz IJSBVEICVQXRCW-CYBMUJFWSA-N 1 1 366.414 2.327 20 10 FECDMO CC(C)N1C(=O)N[C@]2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)C1=O ZINC000366529172 555868976 /nfs/dbraw/zinc/86/89/76/555868976.db2.gz NTIOQIJWXLAOIP-FQEVSTJZSA-N 1 1 353.422 2.450 20 10 FECDMO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368049630 556204028 /nfs/dbraw/zinc/20/40/28/556204028.db2.gz XCIZAZSTNKIBBB-QYVUUFRMSA-N 1 1 350.418 2.358 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000370082718 556776198 /nfs/dbraw/zinc/77/61/98/556776198.db2.gz OXBRZDUJZUQXKW-UHFFFAOYSA-N 1 1 358.398 2.416 20 10 FECDMO COc1c(O)c(C[N@H+]2CCCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000370082718 556776199 /nfs/dbraw/zinc/77/61/99/556776199.db2.gz OXBRZDUJZUQXKW-UHFFFAOYSA-N 1 1 358.398 2.416 20 10 FECDMO CCCn1nc2c(cc1=O)C[N@H+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000371310873 557141819 /nfs/dbraw/zinc/14/18/19/557141819.db2.gz PLMWGWUECJVYGV-UHFFFAOYSA-N 1 1 368.481 2.048 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(N3C(=O)CCCC3=O)CC2)c1O ZINC000375318328 558008171 /nfs/dbraw/zinc/00/81/71/558008171.db2.gz JNDZCWBHIHKHBQ-UHFFFAOYSA-N 1 1 362.401 2.237 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1OC ZINC000376941324 558242247 /nfs/dbraw/zinc/24/22/47/558242247.db2.gz NVASVDWQRSWCQX-ZDUSSCGKSA-N 1 1 362.386 2.351 20 10 FECDMO COc1ccc(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)cc1F ZINC000377893342 558443004 /nfs/dbraw/zinc/44/30/04/558443004.db2.gz GAFRGGGAQMGUPY-INIZCTEOSA-N 1 1 358.417 2.257 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000809785318 674509915 /nfs/dbraw/zinc/50/99/15/674509915.db2.gz VFQVFNNTJLTRHE-CQSZACIVSA-N 1 1 368.499 2.085 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000809793862 674510240 /nfs/dbraw/zinc/51/02/40/674510240.db2.gz QDPNHXSFCRQUDZ-DEOSSOPVSA-N 1 1 350.396 2.336 20 10 FECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000815102188 674918555 /nfs/dbraw/zinc/91/85/55/674918555.db2.gz HAIFYOIXYNQOGC-GOSISDBHSA-N 1 1 351.516 2.143 20 10 FECDMO C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815574848 674959924 /nfs/dbraw/zinc/95/99/24/674959924.db2.gz DVFGQKMTUWIXCZ-LBPRGKRZSA-N 1 1 359.392 2.226 20 10 FECDMO C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000815591293 674960414 /nfs/dbraw/zinc/96/04/14/674960414.db2.gz CHFIKCRHBYDDGR-NSHDSACASA-N 1 1 366.405 2.487 20 10 FECDMO C[C@H]1CN=C(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)S1 ZINC000093663015 670754842 /nfs/dbraw/zinc/75/48/42/670754842.db2.gz LTCAONOBBLXIKG-INIZCTEOSA-N 1 1 360.527 2.132 20 10 FECDMO C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000120164237 671918775 /nfs/dbraw/zinc/91/87/75/671918775.db2.gz FNVCRLIMAFCSFX-MAUKXSAKSA-N 1 1 363.527 2.138 20 10 FECDMO COCC[N@@H+](C)CCOc1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000732285076 673361838 /nfs/dbraw/zinc/36/18/38/673361838.db2.gz QBVJIPBYYNSXQE-UHFFFAOYSA-N 1 1 364.467 2.341 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000742920410 673742060 /nfs/dbraw/zinc/74/20/60/673742060.db2.gz JNOYWFGMGXUGHZ-OAHLLOKOSA-N 1 1 372.296 2.127 20 10 FECDMO Cc1cc([O-])c(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1Cl ZINC000826120808 675682628 /nfs/dbraw/zinc/68/26/28/675682628.db2.gz JXICXJPOCLWJMF-UHFFFAOYSA-N 1 1 367.921 2.240 20 10 FECDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC[N@@H+]1C ZINC000827096289 675728840 /nfs/dbraw/zinc/72/88/40/675728840.db2.gz TVWATMHJSDRFIL-KBRIMQKVSA-N 1 1 365.905 2.466 20 10 FECDMO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC[N@H+]1C ZINC000827096289 675728842 /nfs/dbraw/zinc/72/88/42/675728842.db2.gz TVWATMHJSDRFIL-KBRIMQKVSA-N 1 1 365.905 2.466 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000827555434 675764772 /nfs/dbraw/zinc/76/47/72/675764772.db2.gz UCSXJPGTMMITNA-NSHDSACASA-N 1 1 351.403 2.046 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000827680444 675772411 /nfs/dbraw/zinc/77/24/11/675772411.db2.gz NUSJBMUCFHLHAV-CYBMUJFWSA-N 1 1 351.403 2.046 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000827680444 675772412 /nfs/dbraw/zinc/77/24/12/675772412.db2.gz NUSJBMUCFHLHAV-CYBMUJFWSA-N 1 1 351.403 2.046 20 10 FECDMO Oc1ccc(Cl)c(F)c1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000839166231 680742528 /nfs/dbraw/zinc/74/25/28/680742528.db2.gz WQHDUUUZXSRLIT-UHFFFAOYSA-N 1 1 358.841 2.156 20 10 FECDMO CS(=O)(=O)CC1(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000767426365 680911533 /nfs/dbraw/zinc/91/15/33/680911533.db2.gz PUCQBFULGASEIU-MRXNPFEDSA-N 1 1 353.484 2.198 20 10 FECDMO CS(=O)(=O)CC1(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000767426365 680911535 /nfs/dbraw/zinc/91/15/35/680911535.db2.gz PUCQBFULGASEIU-MRXNPFEDSA-N 1 1 353.484 2.198 20 10 FECDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768439737 680947059 /nfs/dbraw/zinc/94/70/59/680947059.db2.gz MZERVGBSWXYFAG-CQSZACIVSA-N 1 1 352.500 2.032 20 10 FECDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769007507 680967817 /nfs/dbraw/zinc/96/78/17/680967817.db2.gz UOODLKVOOOFTTQ-GDBMZVCRSA-N 1 1 351.466 2.255 20 10 FECDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1[O-] ZINC000843387169 681000831 /nfs/dbraw/zinc/00/08/31/681000831.db2.gz FNPOFUUXCIKENA-AWEZNQCLSA-N 1 1 352.862 2.436 20 10 FECDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1[O-] ZINC000843387169 681000832 /nfs/dbraw/zinc/00/08/32/681000832.db2.gz FNPOFUUXCIKENA-AWEZNQCLSA-N 1 1 352.862 2.436 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CCSC[C@@H]2CCO)c1O ZINC000770305724 681012530 /nfs/dbraw/zinc/01/25/30/681012530.db2.gz JOEYWCPMSPSWJM-LBPRGKRZSA-N 1 1 362.289 2.463 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCSC[C@@H]2CCO)c1O ZINC000770305724 681012532 /nfs/dbraw/zinc/01/25/32/681012532.db2.gz JOEYWCPMSPSWJM-LBPRGKRZSA-N 1 1 362.289 2.463 20 10 FECDMO COc1c(O)c(C[N@H+](C)C2CCC(NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000775061072 681271976 /nfs/dbraw/zinc/27/19/76/681271976.db2.gz PXKSKWVRQABQMP-UHFFFAOYSA-N 1 1 351.403 2.188 20 10 FECDMO COc1c(O)c(C[N@@H+](C)C2CCC(NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000775061072 681271978 /nfs/dbraw/zinc/27/19/78/681271978.db2.gz PXKSKWVRQABQMP-UHFFFAOYSA-N 1 1 351.403 2.188 20 10 FECDMO COc1cc(O)c(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1OC ZINC000775649150 681321270 /nfs/dbraw/zinc/32/12/70/681321270.db2.gz LZCSAMVUCYULJE-MRXNPFEDSA-N 1 1 350.459 2.096 20 10 FECDMO COc1cc(O)c(C[N@@H+]2CCCN(C[C@H]3CCCO3)CC2)cc1OC ZINC000775649150 681321275 /nfs/dbraw/zinc/32/12/75/681321275.db2.gz LZCSAMVUCYULJE-MRXNPFEDSA-N 1 1 350.459 2.096 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCN(C[C@H]3CCCO3)CC2)cc1OC ZINC000775649150 681321279 /nfs/dbraw/zinc/32/12/79/681321279.db2.gz LZCSAMVUCYULJE-MRXNPFEDSA-N 1 1 350.459 2.096 20 10 FECDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)cc2)CC1 ZINC000775689795 681324282 /nfs/dbraw/zinc/32/42/82/681324282.db2.gz KLCAPQXWUMXZBZ-SJORKVTESA-N 1 1 357.420 2.326 20 10 FECDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)cc2)CC1 ZINC000775689795 681324293 /nfs/dbraw/zinc/32/42/93/681324293.db2.gz KLCAPQXWUMXZBZ-SJORKVTESA-N 1 1 357.420 2.326 20 10 FECDMO CCCN(CCC)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2OC)cc1 ZINC000850359260 681891339 /nfs/dbraw/zinc/89/13/39/681891339.db2.gz BTXMZGZIEMMIKI-QZTJIDSGSA-N 1 1 354.516 2.215 20 10 FECDMO CN1CCN(c2ccc(C[NH2+]C[C@]34OCCC[C@H]3C4(F)F)cc2)CC1 ZINC000850378612 681894697 /nfs/dbraw/zinc/89/46/97/681894697.db2.gz LKNRZJWDJGYDFR-MSOLQXFVSA-N 1 1 351.441 2.342 20 10 FECDMO CCOC(=O)[C@]1(F)C[N@H+](Cc2cc3c(cc2O)OCO3)CC12CCC2 ZINC000853523211 682428005 /nfs/dbraw/zinc/42/80/05/682428005.db2.gz GXUAPILMNWGPAT-GOSISDBHSA-N 1 1 351.374 2.378 20 10 FECDMO CCOC(=O)[C@]1(F)C[N@@H+](Cc2cc3c(cc2O)OCO3)CC12CCC2 ZINC000853523211 682428008 /nfs/dbraw/zinc/42/80/08/682428008.db2.gz GXUAPILMNWGPAT-GOSISDBHSA-N 1 1 351.374 2.378 20 10 FECDMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@H]3CCN(S(C)(=O)=O)C3)c2c1 ZINC000793565816 682895861 /nfs/dbraw/zinc/89/58/61/682895861.db2.gz FPOIXTJIHLSQLT-AWEZNQCLSA-N 1 1 364.467 2.020 20 10 FECDMO Cc1cc(Br)c(O)c(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000793586131 682896980 /nfs/dbraw/zinc/89/69/80/682896980.db2.gz GCJFXPWLOMTDNB-QWHCGFSZSA-N 1 1 357.292 2.350 20 10 FECDMO C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cccc(C(F)(F)F)c1O ZINC000858468477 682971126 /nfs/dbraw/zinc/97/11/26/682971126.db2.gz HFRRQWCDKYAYCY-FZMZJTMJSA-N 1 1 359.392 2.401 20 10 FECDMO C[C@@H]1CN(Cc2c(O)cccc2Br)CC[N@H+]1CC(C)(C)O ZINC000862336942 683574012 /nfs/dbraw/zinc/57/40/12/683574012.db2.gz OAEIGWLTLAENHH-GFCCVEGCSA-N 1 1 357.292 2.432 20 10 FECDMO COc1c(O)c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000862527692 683597601 /nfs/dbraw/zinc/59/76/01/683597601.db2.gz DQYIOUMRVFJYRW-UHFFFAOYSA-N 1 1 351.403 2.047 20 10 FECDMO [O-]c1c(F)cc(Br)cc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000882916511 687527045 /nfs/dbraw/zinc/52/70/45/687527045.db2.gz QFUIPBONPUFGOP-UHFFFAOYSA-N 1 1 361.255 2.230 20 10 FECDMO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)cc(F)c2O)CCOC1 ZINC000883089423 687561267 /nfs/dbraw/zinc/56/12/67/687561267.db2.gz JTRMXEWSFBUPQD-AWEZNQCLSA-N 1 1 362.195 2.106 20 10 FECDMO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1c(O)cccc1F ZINC000886554727 688274051 /nfs/dbraw/zinc/27/40/51/688274051.db2.gz BBLHDQGBOBIATP-GHMZBOCLSA-N 1 1 359.444 2.078 20 10 FECDMO COc1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(O)c1OC ZINC000892232730 689167874 /nfs/dbraw/zinc/16/78/74/689167874.db2.gz BNBWBCFXNGYLHP-HLLBOEOZSA-N 1 1 350.459 2.093 20 10 FECDMO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c(I)n1 ZINC000894213865 689488037 /nfs/dbraw/zinc/48/80/37/689488037.db2.gz QZGSWZGVFSBEOV-UHFFFAOYSA-N 1 1 369.206 2.249 20 10 FECDMO COc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)c(O)c1OC ZINC000894750698 689588412 /nfs/dbraw/zinc/58/84/12/689588412.db2.gz KISYAIXYHQCDJT-LBPRGKRZSA-N 1 1 358.385 2.145 20 10 FECDMO COc1ccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)c(O)c1OC ZINC000894750698 689588416 /nfs/dbraw/zinc/58/84/16/689588416.db2.gz KISYAIXYHQCDJT-LBPRGKRZSA-N 1 1 358.385 2.145 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](C3OCCO3)C2)c1O ZINC000896386001 689866758 /nfs/dbraw/zinc/86/67/58/689866758.db2.gz WJNNYKDIMSOGCS-SNVBAGLBSA-N 1 1 358.232 2.358 20 10 FECDMO Nc1nc(C2CC2)nc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000897575064 690042592 /nfs/dbraw/zinc/04/25/92/690042592.db2.gz OOSBPDJDSLIWKU-UHFFFAOYSA-N 1 1 360.849 2.012 20 10 FECDMO CC(C)[N@@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000067592088 541485664 /nfs/dbraw/zinc/48/56/64/541485664.db2.gz MDECIXHZJOYGAC-HUUCEWRRSA-N 1 1 351.466 2.396 20 10 FECDMO CS(=O)(=O)N1CC[C@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000801517038 674133288 /nfs/dbraw/zinc/13/32/88/674133288.db2.gz JNNSWQVRGKYBJR-OAHLLOKOSA-N 1 1 352.500 2.418 20 10 FECDMO COc1ccc(N2CC[NH+](CCn3c(C)csc3=O)CC2)cc1F ZINC000084866717 542722023 /nfs/dbraw/zinc/72/20/23/542722023.db2.gz XHCZQPDWBXMZEV-UHFFFAOYSA-N 1 1 351.447 2.188 20 10 FECDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1O ZINC000092672568 542880615 /nfs/dbraw/zinc/88/06/15/542880615.db2.gz KVKCNMNHCVRYQE-OAHLLOKOSA-N 1 1 350.484 2.331 20 10 FECDMO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)c1 ZINC000092937793 542897251 /nfs/dbraw/zinc/89/72/51/542897251.db2.gz MRYPSUJJLRHRQH-UHFFFAOYSA-N 1 1 356.422 2.455 20 10 FECDMO C[N@H+]1CCC[C@@H]2CN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000154058348 544858841 /nfs/dbraw/zinc/85/88/41/544858841.db2.gz MFJOLVBXBISXKJ-KJRVTTDBSA-N 1 1 369.509 2.479 20 10 FECDMO C[C@H]1CCC[N@H+]1C1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000154900444 544962997 /nfs/dbraw/zinc/96/29/97/544962997.db2.gz FLMNDJBNBSVTSU-LBPRGKRZSA-N 1 1 360.414 2.379 20 10 FECDMO O=C(NCC[NH+]1CCSCC1)NCc1cc(Br)ccc1O ZINC000805181934 674324414 /nfs/dbraw/zinc/32/44/14/674324414.db2.gz RJDUWWCNERXQBO-UHFFFAOYSA-N 1 1 374.304 2.003 20 10 FECDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000157064055 545696515 /nfs/dbraw/zinc/69/65/15/545696515.db2.gz YMGVMISZCSRLBX-HNNXBMFYSA-N 1 1 362.470 2.404 20 10 FECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000163540367 546145726 /nfs/dbraw/zinc/14/57/26/546145726.db2.gz RJCXQNJBPHFURK-QGZVFWFLSA-N 1 1 362.518 2.252 20 10 FECDMO COc1cc(N2CC[NH+](Cc3cn(C)nc3C)CC2)cc(OC)c1OC ZINC000184753436 547875081 /nfs/dbraw/zinc/87/50/81/547875081.db2.gz IOBKDDZQWFVQRK-UHFFFAOYSA-N 1 1 360.458 2.077 20 10 FECDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000186147459 548091824 /nfs/dbraw/zinc/09/18/24/548091824.db2.gz LYIZAIWOFGFIDK-MRXNPFEDSA-N 1 1 374.529 2.096 20 10 FECDMO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CSC[NH2+]1 ZINC000237893594 548861792 /nfs/dbraw/zinc/86/17/92/548861792.db2.gz VDGOKTPCSSOWKM-BXUZGUMPSA-N 1 1 357.426 2.036 20 10 FECDMO COc1cc(OC)c(CNC(=O)C[N@@H+](C)Cc2ccccc2O)c(OC)c1 ZINC000264698509 549999501 /nfs/dbraw/zinc/99/95/01/549999501.db2.gz JHRZPAHCBSZMNR-UHFFFAOYSA-N 1 1 374.437 2.166 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000264679137 549999633 /nfs/dbraw/zinc/99/96/33/549999633.db2.gz YZUNWYPIGCOAIW-IECUYZFFSA-N 1 1 355.482 2.279 20 10 FECDMO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n(C)n1 ZINC000265129820 550006634 /nfs/dbraw/zinc/00/66/34/550006634.db2.gz MQKOCRVCRWXKCH-INIZCTEOSA-N 1 1 358.442 2.054 20 10 FECDMO CCOc1cccc(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1O ZINC000271136148 550343832 /nfs/dbraw/zinc/34/38/32/550343832.db2.gz MRKPFHVBQNZHHX-GOEBONIOSA-N 1 1 350.459 2.154 20 10 FECDMO Cc1[nH+]ccn1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000272096726 550422280 /nfs/dbraw/zinc/42/22/80/550422280.db2.gz WILVUJPQLFEJMB-IBGZPJMESA-N 1 1 356.470 2.465 20 10 FECDMO Cc1nc(C[NH+]2CCC(C(=O)NCc3ccc(O)c(O)c3)CC2)cs1 ZINC000272321650 550437879 /nfs/dbraw/zinc/43/78/79/550437879.db2.gz KNIGNIKRZIEGER-UHFFFAOYSA-N 1 1 361.467 2.391 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2cccc(OC)c2)c1 ZINC000273364163 550495803 /nfs/dbraw/zinc/49/58/03/550495803.db2.gz AXRPKOLNSSSSKM-CYBMUJFWSA-N 1 1 372.421 2.268 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000273407026 550497206 /nfs/dbraw/zinc/49/72/06/550497206.db2.gz OQMSJTNUWFQPKX-HIFRSBDPSA-N 1 1 356.426 2.288 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccc(OC)cc2)c1 ZINC000273542055 550502208 /nfs/dbraw/zinc/50/22/08/550502208.db2.gz YKQJMRPMKRBGQT-CYBMUJFWSA-N 1 1 372.421 2.268 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000276282118 550577814 /nfs/dbraw/zinc/57/78/14/550577814.db2.gz NBGLMADAWFSKLM-SBLNNXNXSA-N 1 1 366.465 2.112 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000278529328 550795559 /nfs/dbraw/zinc/79/55/59/550795559.db2.gz URBJSAGSEKLSEF-BLLLJJGKSA-N 1 1 354.428 2.453 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](CO)C[C@H](OCCOC)C2)cc1 ZINC000278748131 550818014 /nfs/dbraw/zinc/81/80/14/550818014.db2.gz RWCBKLOZIXHUGZ-ICSRJNTNSA-N 1 1 350.503 2.379 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c1 ZINC000285580040 551777945 /nfs/dbraw/zinc/77/79/45/551777945.db2.gz HBIZEFJQKSGTCI-GFCCVEGCSA-N 1 1 355.456 2.187 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000289250057 552289200 /nfs/dbraw/zinc/28/92/00/552289200.db2.gz FCSXBEVDZSGGOX-INIZCTEOSA-N 1 1 373.497 2.288 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c(O)c1 ZINC000289947852 552404122 /nfs/dbraw/zinc/40/41/22/552404122.db2.gz YPAUSVZNYCPWLC-KUHUBIRLSA-N 1 1 361.442 2.134 20 10 FECDMO CCOc1cccc(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)c1O ZINC000294071673 552879671 /nfs/dbraw/zinc/87/96/71/552879671.db2.gz YMHQSMDJIXDDIG-UHFFFAOYSA-N 1 1 350.440 2.070 20 10 FECDMO CCOc1cccc(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)c1O ZINC000294071673 552879672 /nfs/dbraw/zinc/87/96/72/552879672.db2.gz YMHQSMDJIXDDIG-UHFFFAOYSA-N 1 1 350.440 2.070 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+]3CCN(C[C@H](C)O)C[C@H]3C)cc2)CC1 ZINC000295653029 553039413 /nfs/dbraw/zinc/03/94/13/553039413.db2.gz DEYQDVHEPVTABK-MSOLQXFVSA-N 1 1 361.530 2.189 20 10 FECDMO COC1CCN(c2ccc(C[N@H+]3CCN(C[C@H](C)O)C[C@H]3C)cc2)CC1 ZINC000295653029 553039414 /nfs/dbraw/zinc/03/94/14/553039414.db2.gz DEYQDVHEPVTABK-MSOLQXFVSA-N 1 1 361.530 2.189 20 10 FECDMO C[NH+](C)[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000299346735 553551196 /nfs/dbraw/zinc/55/11/96/553551196.db2.gz SZELZFKVVADSMD-HXUWFJFHSA-N 1 1 353.466 2.442 20 10 FECDMO Cc1[nH+]ccn1CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000299597544 553586764 /nfs/dbraw/zinc/58/67/64/553586764.db2.gz FEMJCHYWMXXRMW-QGZVFWFLSA-N 1 1 358.442 2.288 20 10 FECDMO C[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CC[NH+](C)CC1 ZINC000299688492 553601537 /nfs/dbraw/zinc/60/15/37/553601537.db2.gz TWGWEPNRILREFK-GOSISDBHSA-N 1 1 358.530 2.271 20 10 FECDMO COc1c([O-])c(C[N@H+]2CCC[C@H]2[C@H]2CCCN2C(C)=O)ccc1[N+](=O)[O-] ZINC000365791649 555668424 /nfs/dbraw/zinc/66/84/24/555668424.db2.gz BAEAZWUSDBRXJI-LSDHHAIUSA-N 1 1 363.414 2.284 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCN2C(C)=O)ccc1[N+](=O)[O-] ZINC000365791649 555668426 /nfs/dbraw/zinc/66/84/26/555668426.db2.gz BAEAZWUSDBRXJI-LSDHHAIUSA-N 1 1 363.414 2.284 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@H]2[C@H]2CCCN2C(C)=O)ccc1[N+](=O)[O-] ZINC000365791649 555668429 /nfs/dbraw/zinc/66/84/29/555668429.db2.gz BAEAZWUSDBRXJI-LSDHHAIUSA-N 1 1 363.414 2.284 20 10 FECDMO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cc1F ZINC000367078844 556001253 /nfs/dbraw/zinc/00/12/53/556001253.db2.gz SFNGCSRDYRWKMR-IBGZPJMESA-N 1 1 363.477 2.399 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cc1F ZINC000367078844 556001254 /nfs/dbraw/zinc/00/12/54/556001254.db2.gz SFNGCSRDYRWKMR-IBGZPJMESA-N 1 1 363.477 2.399 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000368226621 556253298 /nfs/dbraw/zinc/25/32/98/556253298.db2.gz MABUQSQBJKKVLK-WMLDXEAASA-N 1 1 366.414 2.109 20 10 FECDMO CCOc1cccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c1O ZINC000372037132 557362803 /nfs/dbraw/zinc/36/28/03/557362803.db2.gz KMEPXGJOHOYEKW-CQSZACIVSA-N 1 1 360.414 2.006 20 10 FECDMO C[C@@]1([C@@H]2CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)NC(=O)NC1=O ZINC000372410660 557463836 /nfs/dbraw/zinc/46/38/36/557463836.db2.gz VBAQUNLUSYOMIL-VLIAUNLRSA-N 1 1 353.422 2.356 20 10 FECDMO O=C(CC1OCCCO1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373539315 557713736 /nfs/dbraw/zinc/71/37/36/557713736.db2.gz QZYHEKQZHAPQFK-HNNXBMFYSA-N 1 1 368.861 2.279 20 10 FECDMO Cc1ccc(O)c(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1 ZINC000374678732 557915716 /nfs/dbraw/zinc/91/57/16/557915716.db2.gz KQCLBRXUAPEKFL-KRWDZBQOSA-N 1 1 351.406 2.354 20 10 FECDMO Cc1ccc(O)c(C[N@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)c1 ZINC000374678732 557915717 /nfs/dbraw/zinc/91/57/17/557915717.db2.gz KQCLBRXUAPEKFL-KRWDZBQOSA-N 1 1 351.406 2.354 20 10 FECDMO CC(C)(O)C[N@H+]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000375279585 558003491 /nfs/dbraw/zinc/00/34/91/558003491.db2.gz NWPDDMFBMQILCN-UHFFFAOYSA-N 1 1 374.529 2.275 20 10 FECDMO CCc1nc(CN2CCC[C@H]([N@@H+](C)Cc3cc4c(cc3O)OCO4)C2)no1 ZINC000378343181 558534343 /nfs/dbraw/zinc/53/43/43/558534343.db2.gz RQNNHKDATVASDQ-AWEZNQCLSA-N 1 1 374.441 2.163 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000525925208 562259920 /nfs/dbraw/zinc/25/99/20/562259920.db2.gz GFDIEWVSJYIKBC-INIZCTEOSA-N 1 1 371.529 2.312 20 10 FECDMO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(N2CCOCC2)cc1 ZINC000820431149 599416520 /nfs/dbraw/zinc/41/65/20/599416520.db2.gz BICWPZOUSCDJMK-ZDUSSCGKSA-N 1 1 354.414 2.147 20 10 FECDMO CCOc1ccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(O)c1 ZINC000809785414 674509974 /nfs/dbraw/zinc/50/99/74/674509974.db2.gz WHSJBMYPYOWRJZ-CQSZACIVSA-N 1 1 368.499 2.085 20 10 FECDMO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(O)cccc1OC ZINC000826158777 608566800 /nfs/dbraw/zinc/56/68/00/608566800.db2.gz BXMCIAHJIQSNAN-UHFFFAOYSA-N 1 1 369.425 2.230 20 10 FECDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(Br)cc(OC)c3O)C[C@@H]21 ZINC000814172777 674824205 /nfs/dbraw/zinc/82/42/05/674824205.db2.gz CKVZIDHNNPKZNE-PJXYFTJBSA-N 1 1 356.216 2.014 20 10 FECDMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(Br)cc(OC)c3O)C[C@@H]21 ZINC000814172777 674824208 /nfs/dbraw/zinc/82/42/08/674824208.db2.gz CKVZIDHNNPKZNE-PJXYFTJBSA-N 1 1 356.216 2.014 20 10 FECDMO Cc1cc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)ccc1N(C)C ZINC000815116466 674920824 /nfs/dbraw/zinc/92/08/24/674920824.db2.gz ORNCTJISBYCALD-KRWDZBQOSA-N 1 1 353.532 2.164 20 10 FECDMO Cc1cc(C(=O)C[NH+]2CCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000007588713 669972375 /nfs/dbraw/zinc/97/23/75/669972375.db2.gz CWNQODJGNSEVNF-UHFFFAOYSA-N 1 1 361.467 2.020 20 10 FECDMO C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000067244416 670455958 /nfs/dbraw/zinc/45/59/58/670455958.db2.gz GIQZVPVLTFIQPA-CYBMUJFWSA-N 1 1 374.491 2.373 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)c1O ZINC000131050314 672083549 /nfs/dbraw/zinc/08/35/49/672083549.db2.gz RJTDKETZMLPVER-HOGDKLEQSA-N 1 1 350.278 2.362 20 10 FECDMO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(F)cc1O ZINC000185161271 672521553 /nfs/dbraw/zinc/52/15/53/672521553.db2.gz XRAMLZPWUNPNHT-CYBMUJFWSA-N 1 1 352.431 2.302 20 10 FECDMO C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000729683871 673243848 /nfs/dbraw/zinc/24/38/48/673243848.db2.gz DTVKGFKPEIKEBD-UHFFFAOYSA-N 1 1 356.308 2.272 20 10 FECDMO C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000729683871 673243850 /nfs/dbraw/zinc/24/38/50/673243850.db2.gz DTVKGFKPEIKEBD-UHFFFAOYSA-N 1 1 356.308 2.272 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCS[C@H](C(C)C)C1)cc2=O ZINC000744423587 673795824 /nfs/dbraw/zinc/79/58/24/673795824.db2.gz KXBJLRWVSJASJO-AWEZNQCLSA-N 1 1 364.471 2.185 20 10 FECDMO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000824451299 675603754 /nfs/dbraw/zinc/60/37/54/675603754.db2.gz RPCIVUFWJRBAJY-LLVKDONJSA-N 1 1 355.232 2.429 20 10 FECDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000824451299 675603756 /nfs/dbraw/zinc/60/37/56/675603756.db2.gz RPCIVUFWJRBAJY-LLVKDONJSA-N 1 1 355.232 2.429 20 10 FECDMO Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000824601699 675613099 /nfs/dbraw/zinc/61/30/99/675613099.db2.gz MCXUKOJOPRTCGV-OAHLLOKOSA-N 1 1 355.276 2.451 20 10 FECDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715538 675665293 /nfs/dbraw/zinc/66/52/93/675665293.db2.gz ADUDIXOQSIXXQC-IUODEOHRSA-N 1 1 374.275 2.001 20 10 FECDMO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826100232 675682037 /nfs/dbraw/zinc/68/20/37/675682037.db2.gz NXTDIDIGJZHKRK-CYBMUJFWSA-N 1 1 356.264 2.390 20 10 FECDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000826100232 675682038 /nfs/dbraw/zinc/68/20/38/675682038.db2.gz NXTDIDIGJZHKRK-CYBMUJFWSA-N 1 1 356.264 2.390 20 10 FECDMO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000761088420 680710469 /nfs/dbraw/zinc/71/04/69/680710469.db2.gz SJKQPLCJXMLZSS-GFCCVEGCSA-N 1 1 363.845 2.294 20 10 FECDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000749792480 680075419 /nfs/dbraw/zinc/07/54/19/680075419.db2.gz LXSNKJUXGFEIGX-ZDUSSCGKSA-N 1 1 360.435 2.415 20 10 FECDMO CC(=O)c1cc(Cl)cc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000750044511 680097256 /nfs/dbraw/zinc/09/72/56/680097256.db2.gz YKDZCCNGQBDXHU-SJORKVTESA-N 1 1 352.862 2.279 20 10 FECDMO C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](C)[N@@H+]1C ZINC000836240533 680439940 /nfs/dbraw/zinc/43/99/40/680439940.db2.gz HXKVHPZGYLZJRA-IYBDPMFKSA-N 1 1 362.543 2.474 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000756366049 680474538 /nfs/dbraw/zinc/47/45/38/680474538.db2.gz DKSQPWFOPGTUSQ-KFWWJZLASA-N 1 1 350.459 2.329 20 10 FECDMO C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000756561618 680485660 /nfs/dbraw/zinc/48/56/60/680485660.db2.gz FYNYSHZUUBWBHV-LBPRGKRZSA-N 1 1 355.429 2.264 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)c1 ZINC000841761263 680910726 /nfs/dbraw/zinc/91/07/26/680910726.db2.gz HXFOJVVQKHQVOW-CYBMUJFWSA-N 1 1 351.443 2.397 20 10 FECDMO O=C([C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)N1CC[NH2+]CC1 ZINC000843047284 680984663 /nfs/dbraw/zinc/98/46/63/680984663.db2.gz PZHOJTWELPCPLA-LBPRGKRZSA-N 1 1 372.296 2.343 20 10 FECDMO C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CCO2 ZINC000843432466 681003840 /nfs/dbraw/zinc/00/38/40/681003840.db2.gz XAOYTJLLUWCHKC-UHFFFAOYSA-N 1 1 355.822 2.250 20 10 FECDMO C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CCO2 ZINC000843432466 681003843 /nfs/dbraw/zinc/00/38/43/681003843.db2.gz XAOYTJLLUWCHKC-UHFFFAOYSA-N 1 1 355.822 2.250 20 10 FECDMO CC[N@H+]1CCC[C@@H]1CNC(=S)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844582413 681067052 /nfs/dbraw/zinc/06/70/52/681067052.db2.gz JKJYOZAEDGLUTF-QGZVFWFLSA-N 1 1 364.559 2.422 20 10 FECDMO O=C(NCc1cc(Cl)ccc1O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000846474723 681246483 /nfs/dbraw/zinc/24/64/83/681246483.db2.gz AWXNETJMODJBHF-LJQANCHMSA-N 1 1 360.841 2.299 20 10 FECDMO CC(=O)OC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000779813578 681755622 /nfs/dbraw/zinc/75/56/22/681755622.db2.gz TYFHBDPIWVYMIL-OAHLLOKOSA-N 1 1 368.861 2.468 20 10 FECDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000849605800 681763546 /nfs/dbraw/zinc/76/35/46/681763546.db2.gz JXJAJWWGDZHYTB-CVEARBPZSA-N 1 1 362.861 2.131 20 10 FECDMO CC(=O)c1cc(Cl)cc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1O ZINC000852708444 682323904 /nfs/dbraw/zinc/32/39/04/682323904.db2.gz BLNMRCWWKLSZFV-MRXNPFEDSA-N 1 1 352.862 2.279 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)C(C)(C)C(F)F)CC2)cc1 ZINC000792096978 682788939 /nfs/dbraw/zinc/78/89/39/682788939.db2.gz NHFWVGWXQPVWMU-UHFFFAOYSA-N 1 1 355.429 2.225 20 10 FECDMO Cn1cc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Cl)n1 ZINC000856767126 682808152 /nfs/dbraw/zinc/80/81/52/682808152.db2.gz VCKVCCMUGQYYBI-CQSZACIVSA-N 1 1 361.877 2.065 20 10 FECDMO Cc1cc(Br)cc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1O ZINC000793591834 682898025 /nfs/dbraw/zinc/89/80/25/682898025.db2.gz RJIZVHHNHOCNBZ-CHWSQXEVSA-N 1 1 357.292 2.350 20 10 FECDMO CC(C)[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)N1CCN(C)CC1 ZINC000858093454 682933869 /nfs/dbraw/zinc/93/38/69/682933869.db2.gz BTIQEGIFKKRSPH-LJQANCHMSA-N 1 1 354.489 2.392 20 10 FECDMO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000858252390 682949349 /nfs/dbraw/zinc/94/93/49/682949349.db2.gz FIFPRBYRVVVHOG-VXGBXAGGSA-N 1 1 350.843 2.135 20 10 FECDMO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000858541975 682978832 /nfs/dbraw/zinc/97/88/32/682978832.db2.gz QQVVFCFPBLJYLS-JTQLQIEISA-N 1 1 362.348 2.131 20 10 FECDMO Oc1cccc(Br)c1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000862418307 683588256 /nfs/dbraw/zinc/58/82/56/683588256.db2.gz MQKZULLGCBSWLP-CYBMUJFWSA-N 1 1 355.276 2.186 20 10 FECDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCCN4CCSC[C@H]34)cc2)CC1 ZINC000922522722 683740271 /nfs/dbraw/zinc/74/02/71/683740271.db2.gz GACRTJBVAHBOMG-VQTJNVASSA-N 1 1 360.571 2.108 20 10 FECDMO CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000866560943 684119379 /nfs/dbraw/zinc/11/93/79/684119379.db2.gz YOGVUYTVDMOTDN-UHFFFAOYSA-N 1 1 353.532 2.387 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000925143015 684528363 /nfs/dbraw/zinc/52/83/63/684528363.db2.gz PGTRJIFZWFOFEI-ROUUACIJSA-N 1 1 362.543 2.474 20 10 FECDMO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876734965 686257045 /nfs/dbraw/zinc/25/70/45/686257045.db2.gz BBVUNOKFYUDAQS-OAHLLOKOSA-N 1 1 366.527 2.045 20 10 FECDMO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876734965 686257051 /nfs/dbraw/zinc/25/70/51/686257051.db2.gz BBVUNOKFYUDAQS-OAHLLOKOSA-N 1 1 366.527 2.045 20 10 FECDMO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cc(Br)ccc3O)C2)C1 ZINC000877715532 686444421 /nfs/dbraw/zinc/44/44/21/686444421.db2.gz XTFSVQNUABRULE-OAHLLOKOSA-N 1 1 369.215 2.049 20 10 FECDMO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cc(Br)ccc3O)C2)C1 ZINC000877715532 686444423 /nfs/dbraw/zinc/44/44/23/686444423.db2.gz XTFSVQNUABRULE-OAHLLOKOSA-N 1 1 369.215 2.049 20 10 FECDMO COc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)N(C)C)c(O)c1OC ZINC000894426682 689529900 /nfs/dbraw/zinc/52/99/00/689529900.db2.gz BIFSJCCTYBJSAH-AWEZNQCLSA-N 1 1 352.431 2.462 20 10 FECDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@](CO)(C(F)(F)F)C3)cc2)CC1 ZINC000895837184 689778465 /nfs/dbraw/zinc/77/84/65/689778465.db2.gz RZYJTBXWXVIVLF-QGZVFWFLSA-N 1 1 357.420 2.185 20 10 FECDMO CN1CCN(c2ccc(C[N@H+]3CC[C@@](CO)(C(F)(F)F)C3)cc2)CC1 ZINC000895837184 689778470 /nfs/dbraw/zinc/77/84/70/689778470.db2.gz RZYJTBXWXVIVLF-QGZVFWFLSA-N 1 1 357.420 2.185 20 10 FECDMO C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)C[NH+]1CCOCC1 ZINC000896500953 689881469 /nfs/dbraw/zinc/88/14/69/689881469.db2.gz JHDJZGCIVDZMBE-LLVKDONJSA-N 1 1 350.440 2.011 20 10 FECDMO C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000016387069 539630503 /nfs/dbraw/zinc/63/05/03/539630503.db2.gz CBRACDWPOLEJSY-UHFFFAOYSA-N 1 1 359.495 2.333 20 10 FECDMO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000016387069 539630507 /nfs/dbraw/zinc/63/05/07/539630507.db2.gz CBRACDWPOLEJSY-UHFFFAOYSA-N 1 1 359.495 2.333 20 10 FECDMO COc1cccc(CNC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)c1O ZINC000105651285 543179175 /nfs/dbraw/zinc/17/91/75/543179175.db2.gz UCBQAWRADLOANC-UHFFFAOYSA-N 1 1 369.465 2.078 20 10 FECDMO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+](C)Cc1ccccc1O ZINC000111235251 543388507 /nfs/dbraw/zinc/38/85/07/543388507.db2.gz PBZQMDZZIPGZFQ-GDBMZVCRSA-N 1 1 356.422 2.169 20 10 FECDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000247500695 549344916 /nfs/dbraw/zinc/34/49/16/549344916.db2.gz VADBEIADBONWNZ-ARGQNCHBSA-N 1 1 355.482 2.232 20 10 FECDMO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000152622300 544675878 /nfs/dbraw/zinc/67/58/78/544675878.db2.gz WEYURGRJIJBUAL-UXHICEINSA-N 1 1 370.497 2.115 20 10 FECDMO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000152622300 544675882 /nfs/dbraw/zinc/67/58/82/544675882.db2.gz WEYURGRJIJBUAL-UXHICEINSA-N 1 1 370.497 2.115 20 10 FECDMO C[C@H]([N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1(C)CC1 ZINC000177231120 546576431 /nfs/dbraw/zinc/57/64/31/546576431.db2.gz FMTNAFNKEDZWCP-HNNXBMFYSA-N 1 1 363.477 2.399 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000179859662 547021564 /nfs/dbraw/zinc/02/15/64/547021564.db2.gz ACYXHKRKNQRQQJ-UXLLHSPISA-N 1 1 364.486 2.483 20 10 FECDMO Cc1cc(Br)cc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)c1O ZINC000180528542 547124995 /nfs/dbraw/zinc/12/49/95/547124995.db2.gz AIJXGAJDSAGGPK-UHFFFAOYSA-N 1 1 364.243 2.115 20 10 FECDMO Cc1cc(Br)cc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c1O ZINC000180528542 547124998 /nfs/dbraw/zinc/12/49/98/547124998.db2.gz AIJXGAJDSAGGPK-UHFFFAOYSA-N 1 1 364.243 2.115 20 10 FECDMO COc1cccc(CNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1O ZINC000266684260 550022919 /nfs/dbraw/zinc/02/29/19/550022919.db2.gz RXZXUIXCMDQGJQ-ZIAGYGMSSA-N 1 1 365.474 2.088 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1 ZINC000271115800 550341875 /nfs/dbraw/zinc/34/18/75/550341875.db2.gz BOVLQJNXONOCGB-LSDHHAIUSA-N 1 1 350.459 2.154 20 10 FECDMO COc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 ZINC000271806301 550403511 /nfs/dbraw/zinc/40/35/11/550403511.db2.gz MEYRMSRNEQSMRP-UHFFFAOYSA-N 1 1 370.405 2.088 20 10 FECDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000272594549 550459763 /nfs/dbraw/zinc/45/97/63/550459763.db2.gz IEZCHTQVWBJILJ-UYLUUYTCSA-N 1 1 355.482 2.089 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(=O)NCCc2ccccc2)c1 ZINC000273477813 550500126 /nfs/dbraw/zinc/50/01/26/550500126.db2.gz LFBWVIXUNUUCOO-AWEZNQCLSA-N 1 1 356.422 2.188 20 10 FECDMO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000273613448 550505144 /nfs/dbraw/zinc/50/51/44/550505144.db2.gz WVDGIIYDKZFFDT-GDBMZVCRSA-N 1 1 350.459 2.066 20 10 FECDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC000277403448 550666369 /nfs/dbraw/zinc/66/63/69/550666369.db2.gz JZRMWFXIQDCPGP-HZMBPMFUSA-N 1 1 368.275 2.437 20 10 FECDMO COc1c(O)c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278504176 550793420 /nfs/dbraw/zinc/79/34/20/550793420.db2.gz OLXLFOSQQXPLCL-AWEZNQCLSA-N 1 1 350.346 2.141 20 10 FECDMO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1cc(F)ccc1O ZINC000280046649 550955711 /nfs/dbraw/zinc/95/57/11/550955711.db2.gz XEWNFJYCEGHKHL-RDJZCZTQSA-N 1 1 350.413 2.309 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000289273725 552293528 /nfs/dbraw/zinc/29/35/28/552293528.db2.gz GNKWEHWKYXXUKY-WDEREUQCSA-N 1 1 364.320 2.302 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289716420 552367049 /nfs/dbraw/zinc/36/70/49/552367049.db2.gz XACZCOQHVRGWGM-QUCCMNQESA-N 1 1 357.498 2.402 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289716420 552367050 /nfs/dbraw/zinc/36/70/50/552367050.db2.gz XACZCOQHVRGWGM-QUCCMNQESA-N 1 1 357.498 2.402 20 10 FECDMO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)NC(=O)NC1=O ZINC000294500744 552911172 /nfs/dbraw/zinc/91/11/72/552911172.db2.gz BNGSIWHBLNFSOD-HWPZZCPQSA-N 1 1 355.797 2.137 20 10 FECDMO C[C@@]1(C[C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)NC(=O)NC1=O ZINC000294500744 552911174 /nfs/dbraw/zinc/91/11/74/552911174.db2.gz BNGSIWHBLNFSOD-HWPZZCPQSA-N 1 1 355.797 2.137 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@H](O)Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000295058095 552954821 /nfs/dbraw/zinc/95/48/21/552954821.db2.gz GGLCWORJDMMEGJ-CQSZACIVSA-N 1 1 350.346 2.141 20 10 FECDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000298445358 553425648 /nfs/dbraw/zinc/42/56/48/553425648.db2.gz VLBAMZDRVMXGDO-UHFFFAOYSA-N 1 1 374.529 2.042 20 10 FECDMO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000361180745 554908774 /nfs/dbraw/zinc/90/87/74/554908774.db2.gz XIFKZALHVOOMKY-WOJBJXKFSA-N 1 1 372.513 2.339 20 10 FECDMO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000361180745 554908775 /nfs/dbraw/zinc/90/87/75/554908775.db2.gz XIFKZALHVOOMKY-WOJBJXKFSA-N 1 1 372.513 2.339 20 10 FECDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000364641370 555360454 /nfs/dbraw/zinc/36/04/54/555360454.db2.gz YJRMVZGPZVRFRH-OAHLLOKOSA-N 1 1 363.502 2.384 20 10 FECDMO Oc1cc(OCc2ccccc2)ccc1C[NH2+]Cc1nnc2n1CCOC2 ZINC000365233927 555518132 /nfs/dbraw/zinc/51/81/32/555518132.db2.gz LBIZQJXCHGSIPN-UHFFFAOYSA-N 1 1 366.421 2.383 20 10 FECDMO COc1ccc(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)c(O)c1 ZINC000366252036 555793352 /nfs/dbraw/zinc/79/33/52/555793352.db2.gz XSYDLSMLCDMIFB-UHFFFAOYSA-N 1 1 361.467 2.320 20 10 FECDMO COc1ccc(CNC(=O)NCC[N@H+]2CCc3sccc3C2)c(O)c1 ZINC000366252036 555793354 /nfs/dbraw/zinc/79/33/54/555793354.db2.gz XSYDLSMLCDMIFB-UHFFFAOYSA-N 1 1 361.467 2.320 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(c2ncccn2)CC1 ZINC000367466897 556058143 /nfs/dbraw/zinc/05/81/43/556058143.db2.gz DJUSNHKDFWLITB-UHFFFAOYSA-N 1 1 367.497 2.414 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000367603764 556095094 /nfs/dbraw/zinc/09/50/94/556095094.db2.gz OAIZQJKLSYWYKY-YOFSQIOKSA-N 1 1 358.530 2.268 20 10 FECDMO CC[C@H](c1ccccc1O)[NH+]1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000368037473 556200637 /nfs/dbraw/zinc/20/06/37/556200637.db2.gz NASYVURSRAFMNG-DOTOQJQBSA-N 1 1 352.500 2.084 20 10 FECDMO CC[C@H](c1ccccc1O)[NH+]1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000368037574 556200952 /nfs/dbraw/zinc/20/09/52/556200952.db2.gz NASYVURSRAFMNG-NVXWUHKLSA-N 1 1 352.500 2.084 20 10 FECDMO CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000368045093 556203496 /nfs/dbraw/zinc/20/34/96/556203496.db2.gz UYCBONMNNSNWJI-SNVBAGLBSA-N 1 1 350.843 2.041 20 10 FECDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCCc2[nH+]ccn21 ZINC000368080297 556212875 /nfs/dbraw/zinc/21/28/75/556212875.db2.gz AWFBJRQDAZIPFM-LJQANCHMSA-N 1 1 368.481 2.286 20 10 FECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000369966515 556743620 /nfs/dbraw/zinc/74/36/20/556743620.db2.gz AQRYLVXTAZWHSC-QUCCMNQESA-N 1 1 357.498 2.356 20 10 FECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000369966513 556743935 /nfs/dbraw/zinc/74/39/35/556743935.db2.gz AQRYLVXTAZWHSC-AZUAARDMSA-N 1 1 357.498 2.356 20 10 FECDMO Cc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)c1O ZINC000371601037 557235845 /nfs/dbraw/zinc/23/58/45/557235845.db2.gz FPLPPFQPTSRFBG-CYBMUJFWSA-N 1 1 364.471 2.175 20 10 FECDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000372081580 557375597 /nfs/dbraw/zinc/37/55/97/557375597.db2.gz OHZOURMOFSYEAE-LEWJYISDSA-N 1 1 357.498 2.499 20 10 FECDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCOC[C@@H]1C1CC1 ZINC000372319386 557438665 /nfs/dbraw/zinc/43/86/65/557438665.db2.gz SMBZIYMGVVPVLV-RTBURBONSA-N 1 1 374.481 2.011 20 10 FECDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)c1 ZINC000372713615 557544592 /nfs/dbraw/zinc/54/45/92/557544592.db2.gz JQRUXBWBTHHUDH-CQSZACIVSA-N 1 1 370.453 2.168 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)cc1OC ZINC000372841361 557573432 /nfs/dbraw/zinc/57/34/32/557573432.db2.gz YYIDIDYSUSQGNT-UHFFFAOYSA-N 1 1 359.426 2.086 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)ccc1[N+](=O)[O-] ZINC000375420481 558024282 /nfs/dbraw/zinc/02/42/82/558024282.db2.gz VJYBLRFRILCKIL-PMUMKWKESA-N 1 1 366.414 2.061 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)ccc1[N+](=O)[O-] ZINC000375420481 558024283 /nfs/dbraw/zinc/02/42/83/558024283.db2.gz VJYBLRFRILCKIL-PMUMKWKESA-N 1 1 366.414 2.061 20 10 FECDMO COc1ccc(N2CCC[N@@H+](CC3CCS(=O)(=O)CC3)CC2)cc1 ZINC000378275568 558517358 /nfs/dbraw/zinc/51/73/58/558517358.db2.gz HTSQLNUIVYSBPK-UHFFFAOYSA-N 1 1 352.500 2.032 20 10 FECDMO COc1cc(O)c(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1OC ZINC000378345594 558534714 /nfs/dbraw/zinc/53/47/14/558534714.db2.gz LWTDXPFAWCRFLU-OAHLLOKOSA-N 1 1 363.502 2.010 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C)c1 ZINC000806661913 674385497 /nfs/dbraw/zinc/38/54/97/674385497.db2.gz GUZBDLIYQGATFX-RISCZKNCSA-N 1 1 354.472 2.039 20 10 FECDMO C[NH+](C)CCOCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807168109 674407552 /nfs/dbraw/zinc/40/75/52/674407552.db2.gz QQYUVPTZWHJPKT-UHFFFAOYSA-N 1 1 350.246 2.076 20 10 FECDMO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1)C1CC1 ZINC000809784129 674509967 /nfs/dbraw/zinc/50/99/67/674509967.db2.gz HJXYNLDXEYJKNF-LBPRGKRZSA-N 1 1 358.891 2.339 20 10 FECDMO COc1cccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1O ZINC000826216159 608853597 /nfs/dbraw/zinc/85/35/97/608853597.db2.gz MTAIOSSGZVCMNE-QGZVFWFLSA-N 1 1 367.409 2.154 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1O ZINC000159534188 672283114 /nfs/dbraw/zinc/28/31/14/672283114.db2.gz PUTMESBZBLWACS-NXEZZACHSA-N 1 1 357.248 2.249 20 10 FECDMO COc1ccc(O)c(CNC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000246844714 672843184 /nfs/dbraw/zinc/84/31/84/672843184.db2.gz ZESUPOYSUHHYDL-QWQRMKEZSA-N 1 1 350.459 2.151 20 10 FECDMO COc1ccc(O)c(CNC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000246844714 672843187 /nfs/dbraw/zinc/84/31/87/672843187.db2.gz ZESUPOYSUHHYDL-QWQRMKEZSA-N 1 1 350.459 2.151 20 10 FECDMO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708480141 673065993 /nfs/dbraw/zinc/06/59/93/673065993.db2.gz FMPXWHCOACNGIN-CYBMUJFWSA-N 1 1 358.385 2.396 20 10 FECDMO C[NH+]1CCN([C@H](CNC(=O)C2=CC(=O)CS2)c2cccs2)CC1 ZINC000732258908 673360960 /nfs/dbraw/zinc/36/09/60/673360960.db2.gz VLJLDJPTWAFELQ-CYBMUJFWSA-N 1 1 351.497 2.234 20 10 FECDMO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cc(Br)c(F)cc1O ZINC000818360742 675216232 /nfs/dbraw/zinc/21/62/32/675216232.db2.gz BTNFXTMWUFLTCX-WRWORJQWSA-N 1 1 359.195 2.092 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c1O ZINC000824502316 675607010 /nfs/dbraw/zinc/60/70/10/675607010.db2.gz ZYKQIDSWTUWYNG-HIFRSBDPSA-N 1 1 371.275 2.068 20 10 FECDMO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000825278777 675644778 /nfs/dbraw/zinc/64/47/78/675644778.db2.gz IRWUQQYIVPFNFM-ZDUSSCGKSA-N 1 1 356.264 2.390 20 10 FECDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000825278777 675644782 /nfs/dbraw/zinc/64/47/82/675644782.db2.gz IRWUQQYIVPFNFM-ZDUSSCGKSA-N 1 1 356.264 2.390 20 10 FECDMO CC1(O)CC(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000827096589 675728708 /nfs/dbraw/zinc/72/87/08/675728708.db2.gz XTDNJHUMVWHOJX-DBQDNQAGSA-N 1 1 352.862 2.287 20 10 FECDMO O=S1(=O)CC[C@@H](CC[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000760855658 680703420 /nfs/dbraw/zinc/70/34/20/680703420.db2.gz HAQHIHIGNNPZRR-NVXWUHKLSA-N 1 1 353.484 2.198 20 10 FECDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)on1 ZINC000764258233 680804579 /nfs/dbraw/zinc/80/45/79/680804579.db2.gz WTMHCNYPIQOSOU-CYBMUJFWSA-N 1 1 365.817 2.437 20 10 FECDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)on1 ZINC000764258233 680804580 /nfs/dbraw/zinc/80/45/80/680804580.db2.gz WTMHCNYPIQOSOU-CYBMUJFWSA-N 1 1 365.817 2.437 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1O ZINC000840957528 680857111 /nfs/dbraw/zinc/85/71/11/680857111.db2.gz IZUSYSDWPITOSR-SNVBAGLBSA-N 1 1 357.248 2.073 20 10 FECDMO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1O ZINC000756442173 680479091 /nfs/dbraw/zinc/47/90/91/680479091.db2.gz ATRKBGQUVHQBQH-CYBMUJFWSA-N 1 1 352.431 2.302 20 10 FECDMO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3O)C2=O)n(C)n1 ZINC000756732874 680495604 /nfs/dbraw/zinc/49/56/04/680495604.db2.gz NSMKGSOODHZVQJ-HZMBPMFUSA-N 1 1 350.369 2.168 20 10 FECDMO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1cc(F)cc(F)c1O ZINC000756840216 680500766 /nfs/dbraw/zinc/50/07/66/680500766.db2.gz URYNHYBFDIUHIA-FTGAXOIBSA-N 1 1 350.369 2.249 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](CC(N)=O)C2CCCC2)c1O ZINC000768258157 680942154 /nfs/dbraw/zinc/94/21/54/680942154.db2.gz RDEUUYNOCVEATD-UHFFFAOYSA-N 1 1 357.248 2.393 20 10 FECDMO Cn1cc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)c(C(F)(F)F)n1 ZINC000768464038 680947614 /nfs/dbraw/zinc/94/76/14/680947614.db2.gz ZEVOALRDBIODSB-CYBMUJFWSA-N 1 1 357.332 2.202 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1[O-] ZINC000842477883 680949237 /nfs/dbraw/zinc/94/92/37/680949237.db2.gz BYISGEFYNITDQT-SJLPKXTDSA-N 1 1 350.434 2.452 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1O ZINC000842477883 680949239 /nfs/dbraw/zinc/94/92/39/680949239.db2.gz BYISGEFYNITDQT-SJLPKXTDSA-N 1 1 350.434 2.452 20 10 FECDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1O ZINC000843058504 680985087 /nfs/dbraw/zinc/98/50/87/680985087.db2.gz UTJZIDYWUIJIMZ-PBHICJAKSA-N 1 1 365.905 2.434 20 10 FECDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1[O-] ZINC000843387172 681000851 /nfs/dbraw/zinc/00/08/51/681000851.db2.gz FNPOFUUXCIKENA-CQSZACIVSA-N 1 1 352.862 2.436 20 10 FECDMO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1[O-] ZINC000843387172 681000852 /nfs/dbraw/zinc/00/08/52/681000852.db2.gz FNPOFUUXCIKENA-CQSZACIVSA-N 1 1 352.862 2.436 20 10 FECDMO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058175 681039833 /nfs/dbraw/zinc/03/98/33/681039833.db2.gz LWLMVXMDFDIMIJ-XJKSGUPXSA-N 1 1 351.878 2.078 20 10 FECDMO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058175 681039836 /nfs/dbraw/zinc/03/98/36/681039836.db2.gz LWLMVXMDFDIMIJ-XJKSGUPXSA-N 1 1 351.878 2.078 20 10 FECDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844864470 681088673 /nfs/dbraw/zinc/08/86/73/681088673.db2.gz ZNKNQKXKTSSQTG-HNNXBMFYSA-N 1 1 355.866 2.202 20 10 FECDMO CCc1cccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000848910853 681641427 /nfs/dbraw/zinc/64/14/27/681641427.db2.gz AGXFNDWUCLAIII-CQSZACIVSA-N 1 1 352.500 2.248 20 10 FECDMO COc1ccc(CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000794381816 682963844 /nfs/dbraw/zinc/96/38/44/682963844.db2.gz OPRDRQMBRHEFJI-LBTNJELSSA-N 1 1 350.459 2.151 20 10 FECDMO CCO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)CN(C)C ZINC000926966626 683190514 /nfs/dbraw/zinc/19/05/14/683190514.db2.gz XOWAREJOVVUUPC-NVXWUHKLSA-N 1 1 353.482 2.280 20 10 FECDMO C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000883371608 687616617 /nfs/dbraw/zinc/61/66/17/687616617.db2.gz QVGYYNAQUISUPU-WBVHZDCISA-N 1 1 367.921 2.493 20 10 FECDMO C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cccc(C(F)(F)F)c1O ZINC000886736600 688298532 /nfs/dbraw/zinc/29/85/32/688298532.db2.gz FOZRVZYNQUZPER-JTQLQIEISA-N 1 1 366.405 2.486 20 10 FECDMO O=C1N=NCN1C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000894609046 689565108 /nfs/dbraw/zinc/56/51/08/689565108.db2.gz ICLVZHVEVRNFDU-UHFFFAOYSA-N 1 1 353.220 2.289 20 10 FECDMO C[N@H+](Cc1cc(Br)cc(F)c1O)[C@@H]1CCN2CCO[C@H]1C2 ZINC000894868550 689611686 /nfs/dbraw/zinc/61/16/86/689611686.db2.gz BZBKLFWOFKGYGX-KGLIPLIRSA-N 1 1 359.239 2.199 20 10 FECDMO C[N@@H+](Cc1cc(Br)cc(F)c1O)[C@@H]1CCN2CCO[C@H]1C2 ZINC000894868550 689611688 /nfs/dbraw/zinc/61/16/88/689611688.db2.gz BZBKLFWOFKGYGX-KGLIPLIRSA-N 1 1 359.239 2.199 20 10 FECDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2O)CCC1(F)F ZINC000895765937 689768448 /nfs/dbraw/zinc/76/84/48/689768448.db2.gz RUDHAOKYZJWGDI-LBPRGKRZSA-N 1 1 359.369 2.430 20 10 FECDMO C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571781 539620213 /nfs/dbraw/zinc/62/02/13/539620213.db2.gz DTRMTSKXSCXMHS-CYBMUJFWSA-N 1 1 359.392 2.022 20 10 FECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COc1ccccc1 ZINC000073021410 541909408 /nfs/dbraw/zinc/90/94/08/541909408.db2.gz BOQWRDMJHLYTGE-FQEVSTJZSA-N 1 1 356.466 2.395 20 10 FECDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2 ZINC000073987825 542023134 /nfs/dbraw/zinc/02/31/34/542023134.db2.gz SOENWGLHLCPQPT-NNJOMNARSA-N 1 1 355.482 2.232 20 10 FECDMO Oc1cc(Br)ccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000827698649 675773419 /nfs/dbraw/zinc/77/34/19/675773419.db2.gz ADTMYXPUBVOMRF-HNNXBMFYSA-N 1 1 355.276 2.186 20 10 FECDMO Cc1[nH+]ccn1-c1cncc(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000092886449 542893984 /nfs/dbraw/zinc/89/39/84/542893984.db2.gz FCYDXBTVORAZNS-UHFFFAOYSA-N 1 1 364.453 2.444 20 10 FECDMO COc1ccc(N2CCC([NH2+]C[C@H](C)CN3CCN(C)CC3)CC2)cc1 ZINC000120920389 543686533 /nfs/dbraw/zinc/68/65/33/543686533.db2.gz MNTUQDCJNVCAKT-SFHVURJKSA-N 1 1 360.546 2.137 20 10 FECDMO Cn1ncc(Cl)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000130736291 544162762 /nfs/dbraw/zinc/16/27/62/544162762.db2.gz APKQDFHRXKBHEA-UHFFFAOYSA-N 1 1 352.841 2.464 20 10 FECDMO CCc1nsc(N2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)n1 ZINC000160318341 546029280 /nfs/dbraw/zinc/02/92/80/546029280.db2.gz JMLRBCGPGJLSFT-UHFFFAOYSA-N 1 1 364.471 2.146 20 10 FECDMO Cn1cc[nH+]c1CC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000160689773 546063644 /nfs/dbraw/zinc/06/36/44/546063644.db2.gz YAVSCYSPCJKRIN-UHFFFAOYSA-N 1 1 371.397 2.118 20 10 FECDMO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(OCc2ccccc2)cc1O ZINC000182954719 547579000 /nfs/dbraw/zinc/57/90/00/547579000.db2.gz NZUZGOHMHIYLMV-UHFFFAOYSA-N 1 1 370.449 2.262 20 10 FECDMO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H](C(N)=O)O1 ZINC000183125532 547606636 /nfs/dbraw/zinc/60/66/36/547606636.db2.gz CSCXFDUTGUKIOF-KUHUBIRLSA-N 1 1 356.422 2.046 20 10 FECDMO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H](C(N)=O)O1 ZINC000183125532 547606639 /nfs/dbraw/zinc/60/66/39/547606639.db2.gz CSCXFDUTGUKIOF-KUHUBIRLSA-N 1 1 356.422 2.046 20 10 FECDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3cccc(O)c3O)CC2)oc1C ZINC000187087460 548251384 /nfs/dbraw/zinc/25/13/84/548251384.db2.gz HJBZXZQIPZZRQP-UHFFFAOYSA-N 1 1 359.426 2.345 20 10 FECDMO COc1ccc(O)c(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000190313819 548322482 /nfs/dbraw/zinc/32/24/82/548322482.db2.gz NWXCBMXXGYRVAS-OAQYLSRUSA-N 1 1 356.466 2.470 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000264657188 549999676 /nfs/dbraw/zinc/99/96/76/549999676.db2.gz SCJFTGAOJQRKLJ-BYVAAYKLSA-N 1 1 355.482 2.137 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000269440367 550195965 /nfs/dbraw/zinc/19/59/65/550195965.db2.gz FKTVONJEEBGIBL-QGZVFWFLSA-N 1 1 353.532 2.294 20 10 FECDMO CC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000269456542 550197835 /nfs/dbraw/zinc/19/78/35/550197835.db2.gz HBXTYMPHXRFINN-SFHVURJKSA-N 1 1 366.527 2.311 20 10 FECDMO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000269456542 550197836 /nfs/dbraw/zinc/19/78/36/550197836.db2.gz HBXTYMPHXRFINN-SFHVURJKSA-N 1 1 366.527 2.311 20 10 FECDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000269455152 550197971 /nfs/dbraw/zinc/19/79/71/550197971.db2.gz IEKKHJIYPKGSBA-GOSISDBHSA-N 1 1 365.543 2.438 20 10 FECDMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1c(F)ccc(O)c1O ZINC000276539498 550578936 /nfs/dbraw/zinc/57/89/36/550578936.db2.gz ISWMKDCAURJXMQ-OAHLLOKOSA-N 1 1 374.412 2.124 20 10 FECDMO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277394774 550665149 /nfs/dbraw/zinc/66/51/49/550665149.db2.gz JKWNNRWJRPWZGG-FQEVSTJZSA-N 1 1 372.513 2.339 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278302433 550770959 /nfs/dbraw/zinc/77/09/59/550770959.db2.gz WAMPXWGLMIZDIL-LBPRGKRZSA-N 1 1 352.387 2.473 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000278522310 550795003 /nfs/dbraw/zinc/79/50/03/550795003.db2.gz SFQOCSNGBXIYKQ-CYBMUJFWSA-N 1 1 363.414 2.332 20 10 FECDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000278766305 550819821 /nfs/dbraw/zinc/81/98/21/550819821.db2.gz UFSQSWCRMVYCLC-SWLSCSKDSA-N 1 1 374.275 2.001 20 10 FECDMO CCn1nccc1C1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000278902406 550834284 /nfs/dbraw/zinc/83/42/84/550834284.db2.gz PLSFUXBTVJZGSV-UHFFFAOYSA-N 1 1 369.513 2.465 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1O ZINC000278990663 550843952 /nfs/dbraw/zinc/84/39/52/550843952.db2.gz APXYTYRFDIKXLX-AWEZNQCLSA-N 1 1 374.890 2.054 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1O ZINC000278990663 550843953 /nfs/dbraw/zinc/84/39/53/550843953.db2.gz APXYTYRFDIKXLX-AWEZNQCLSA-N 1 1 374.890 2.054 20 10 FECDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000279345637 550879979 /nfs/dbraw/zinc/87/99/79/550879979.db2.gz CFBYUQKOBAWPEC-UHFFFAOYSA-N 1 1 372.513 2.315 20 10 FECDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000279345637 550879980 /nfs/dbraw/zinc/87/99/80/550879980.db2.gz CFBYUQKOBAWPEC-UHFFFAOYSA-N 1 1 372.513 2.315 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000288960807 552243947 /nfs/dbraw/zinc/24/39/47/552243947.db2.gz HEXNYJWKZFYQIG-MAUKXSAKSA-N 1 1 373.497 2.120 20 10 FECDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000289570213 552342386 /nfs/dbraw/zinc/34/23/86/552342386.db2.gz JLXYLMKHJGRLSH-SUMWQHHRSA-N 1 1 351.834 2.307 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289716416 552366696 /nfs/dbraw/zinc/36/66/96/552366696.db2.gz XACZCOQHVRGWGM-AZUAARDMSA-N 1 1 357.498 2.402 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289716416 552366698 /nfs/dbraw/zinc/36/66/98/552366698.db2.gz XACZCOQHVRGWGM-AZUAARDMSA-N 1 1 357.498 2.402 20 10 FECDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000291294700 552611485 /nfs/dbraw/zinc/61/14/85/552611485.db2.gz SWOXFFDAPIEGLJ-QGZVFWFLSA-N 1 1 362.518 2.393 20 10 FECDMO C[N@H+]1CC[C@]2(CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C2)C1 ZINC000292327380 552716235 /nfs/dbraw/zinc/71/62/35/552716235.db2.gz UAIPLXDREGGKFC-XBGMYJNYSA-N 1 1 355.482 2.091 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)cc1 ZINC000363935951 555217457 /nfs/dbraw/zinc/21/74/57/555217457.db2.gz XTMGCPCKSSRCJV-KRWDZBQOSA-N 1 1 357.458 2.358 20 10 FECDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cccc(O)c2O)[C@@H]1c1cnn(C)c1 ZINC000364675948 555371083 /nfs/dbraw/zinc/37/10/83/555371083.db2.gz VQIWQUPBUQTMDV-KBXCAEBGSA-N 1 1 372.469 2.377 20 10 FECDMO O=C(Cc1cncnc1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000368151801 556231192 /nfs/dbraw/zinc/23/11/92/556231192.db2.gz JVMLSHCGCZSQQJ-MRXNPFEDSA-N 1 1 360.845 2.159 20 10 FECDMO COc1ccc(O)c([C@H](C)[N@H+]2CCCN(c3nccc(OC)n3)CC2)c1 ZINC000370063724 556771304 /nfs/dbraw/zinc/77/13/04/556771304.db2.gz SBDWAJQJTNVORV-AWEZNQCLSA-N 1 1 358.442 2.473 20 10 FECDMO CCCS(=O)(=O)CC[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000370865123 556994952 /nfs/dbraw/zinc/99/49/52/556994952.db2.gz NADPCFRWYKPJCK-UHFFFAOYSA-N 1 1 354.516 2.421 20 10 FECDMO CCCS(=O)(=O)CC[N@@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000370865123 556994955 /nfs/dbraw/zinc/99/49/55/556994955.db2.gz NADPCFRWYKPJCK-UHFFFAOYSA-N 1 1 354.516 2.421 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000370865208 556995241 /nfs/dbraw/zinc/99/52/41/556995241.db2.gz OOQBBTNCZHMPCQ-DFQSSKMNSA-N 1 1 359.514 2.456 20 10 FECDMO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000371416655 557179657 /nfs/dbraw/zinc/17/96/57/557179657.db2.gz NMSSGRFNNGNVQJ-UHFFFAOYSA-N 1 1 373.541 2.458 20 10 FECDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000372283224 557429274 /nfs/dbraw/zinc/42/92/74/557429274.db2.gz RSAVAHKPCDZVPO-GJZGRUSLSA-N 1 1 353.390 2.276 20 10 FECDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000372283224 557429275 /nfs/dbraw/zinc/42/92/75/557429275.db2.gz RSAVAHKPCDZVPO-GJZGRUSLSA-N 1 1 353.390 2.276 20 10 FECDMO C[C@]1([C@@H]2CCC[N@@H+](Cc3c(O)ccc4ccccc43)C2)NC(=O)NC1=O ZINC000372410655 557464065 /nfs/dbraw/zinc/46/40/65/557464065.db2.gz VBAQUNLUSYOMIL-JLTOFOAXSA-N 1 1 353.422 2.356 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3cnccn3)CC2)cc1 ZINC000372690234 557539031 /nfs/dbraw/zinc/53/90/31/557539031.db2.gz HIAZCFQANZNFNW-UHFFFAOYSA-N 1 1 367.497 2.381 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1OC ZINC000375407040 558022193 /nfs/dbraw/zinc/02/21/93/558022193.db2.gz VUVZHCALPPMZOJ-SPYBWZPUSA-N 1 1 351.443 2.161 20 10 FECDMO COC(=O)c1ccnc(N2CCC[N@H+](Cc3cccc(F)c3O)CC2)c1 ZINC000376828950 558226927 /nfs/dbraw/zinc/22/69/27/558226927.db2.gz RHWPTIGUSQCUED-UHFFFAOYSA-N 1 1 359.401 2.425 20 10 FECDMO COC(=O)c1ccnc(N2CCC[N@@H+](Cc3cccc(F)c3O)CC2)c1 ZINC000376828950 558226929 /nfs/dbraw/zinc/22/69/29/558226929.db2.gz RHWPTIGUSQCUED-UHFFFAOYSA-N 1 1 359.401 2.425 20 10 FECDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(C)n1-c1ccccn1 ZINC000377513574 558354873 /nfs/dbraw/zinc/35/48/73/558354873.db2.gz UQBNRBCXFPCXRV-DLBZAZTESA-N 1 1 354.454 2.082 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000378440244 558558263 /nfs/dbraw/zinc/55/82/63/558558263.db2.gz AQOMWJUTFFFGQW-JKSUJKDBSA-N 1 1 361.442 2.231 20 10 FECDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471866631 561013338 /nfs/dbraw/zinc/01/33/38/561013338.db2.gz VXZYZMIBTRKYAN-MRXNPFEDSA-N 1 1 358.486 2.397 20 10 FECDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2cccc(OC)c2O)CC1 ZINC000809784287 674509921 /nfs/dbraw/zinc/50/99/21/674509921.db2.gz FCQOJGOAMMZRML-AWEZNQCLSA-N 1 1 370.515 2.283 20 10 FECDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000816539769 675063983 /nfs/dbraw/zinc/06/39/83/675063983.db2.gz SFYMGLUUWFMOJW-LLVKDONJSA-N 1 1 369.776 2.443 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)CCNC(=O)C(C)C)c1O ZINC000092103754 670734773 /nfs/dbraw/zinc/73/47/73/670734773.db2.gz SYOQOQKEZSTGPR-UHFFFAOYSA-N 1 1 359.264 2.367 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)c1O ZINC000092100483 670734847 /nfs/dbraw/zinc/73/48/47/670734847.db2.gz XEUXKRWQPBPFJE-GFCCVEGCSA-N 1 1 371.275 2.464 20 10 FECDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000092217801 670736868 /nfs/dbraw/zinc/73/68/68/670736868.db2.gz SLYKMIGBMHGYSA-HNNXBMFYSA-N 1 1 355.276 2.451 20 10 FECDMO O=C(NC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000325846480 673051008 /nfs/dbraw/zinc/05/10/08/673051008.db2.gz ZFLKVPNWVFWZLP-CZUORRHYSA-N 1 1 351.878 2.126 20 10 FECDMO O=C(NC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000325846480 673051012 /nfs/dbraw/zinc/05/10/12/673051012.db2.gz ZFLKVPNWVFWZLP-CZUORRHYSA-N 1 1 351.878 2.126 20 10 FECDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000819824453 675316400 /nfs/dbraw/zinc/31/64/00/675316400.db2.gz KSYJYXXHPLTZCG-HZPDHXFCSA-N 1 1 359.495 2.437 20 10 FECDMO Cc1cc(O)c(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)cc1Cl ZINC000824566956 675611055 /nfs/dbraw/zinc/61/10/55/675611055.db2.gz PWKLEKGBXQOQNB-UHFFFAOYSA-N 1 1 360.845 2.170 20 10 FECDMO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824601758 675613065 /nfs/dbraw/zinc/61/30/65/675613065.db2.gz NFNRAHLGRUXGOK-ZDUSSCGKSA-N 1 1 354.248 2.144 20 10 FECDMO COC(=O)[C@]12C[N@@H+](Cc3ccc(Br)cc3O)C[C@H]1COCC2 ZINC000825748753 675667142 /nfs/dbraw/zinc/66/71/42/675667142.db2.gz IGXKMPJTRDLLTO-BLLLJJGKSA-N 1 1 370.243 2.166 20 10 FECDMO CSCC[C@H](O)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827309500 675746948 /nfs/dbraw/zinc/74/69/48/675746948.db2.gz FOLIPQIFLFRUII-HOCLYGCPSA-N 1 1 372.918 2.240 20 10 FECDMO COc1ccc(N2CCC[N@@H+](CC[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000760821369 680702247 /nfs/dbraw/zinc/70/22/47/680702247.db2.gz ZQJWZJXMCFTMGC-MRXNPFEDSA-N 1 1 352.500 2.032 20 10 FECDMO CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761979795 680736681 /nfs/dbraw/zinc/73/66/81/680736681.db2.gz IKZDWQYYUTWCIE-HNNXBMFYSA-N 1 1 367.877 2.041 20 10 FECDMO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840141728 680801720 /nfs/dbraw/zinc/80/17/20/680801720.db2.gz XEQFPVULUIQBPL-XHDPSFHLSA-N 1 1 360.376 2.134 20 10 FECDMO CC(=O)c1cc(Cl)cc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000750044509 680097429 /nfs/dbraw/zinc/09/74/29/680097429.db2.gz YKDZCCNGQBDXHU-IAGOWNOFSA-N 1 1 352.862 2.279 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000835051704 680291342 /nfs/dbraw/zinc/29/13/42/680291342.db2.gz GWGXDDYVBLVWJZ-LZCIBIBXSA-N 1 1 365.543 2.369 20 10 FECDMO C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756557832 680485098 /nfs/dbraw/zinc/48/50/98/680485098.db2.gz WKTKYOMUALRQCT-WPRPVWTQSA-N 1 1 351.672 2.381 20 10 FECDMO Cc1cc(Br)cc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c1O ZINC000841891830 680916739 /nfs/dbraw/zinc/91/67/39/680916739.db2.gz PSFPVVYRNONGTB-STQMWFEESA-N 1 1 357.292 2.350 20 10 FECDMO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843434051 681003749 /nfs/dbraw/zinc/00/37/49/681003749.db2.gz QLHBLQVNOBFMMP-GXTWGEPZSA-N 1 1 360.376 2.127 20 10 FECDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843434051 681003750 /nfs/dbraw/zinc/00/37/50/681003750.db2.gz QLHBLQVNOBFMMP-GXTWGEPZSA-N 1 1 360.376 2.127 20 10 FECDMO CCC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000852628257 682310720 /nfs/dbraw/zinc/31/07/20/682310720.db2.gz BXNRBEWGNAYKRL-GFCCVEGCSA-N 1 1 356.264 2.438 20 10 FECDMO CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852746513 682334924 /nfs/dbraw/zinc/33/49/24/682334924.db2.gz MIZKQGYOWQVFRL-AWEZNQCLSA-N 1 1 355.276 2.498 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852746513 682334927 /nfs/dbraw/zinc/33/49/27/682334927.db2.gz MIZKQGYOWQVFRL-AWEZNQCLSA-N 1 1 355.276 2.498 20 10 FECDMO CS(=O)(=O)[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H]1C(F)(F)F ZINC000853530409 682428407 /nfs/dbraw/zinc/42/84/07/682428407.db2.gz JZFVRHCHOHOKHQ-UKRRQHHQSA-N 1 1 374.384 2.348 20 10 FECDMO CN(C)c1cc(F)c(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc1F ZINC000858134502 682937267 /nfs/dbraw/zinc/93/72/67/682937267.db2.gz RXKUMCJFGQKQFS-LBPRGKRZSA-N 1 1 351.319 2.284 20 10 FECDMO CC[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(F)cc1O ZINC000796764817 683193356 /nfs/dbraw/zinc/19/33/56/683193356.db2.gz VIQPBVNPPVMMGH-INIZCTEOSA-N 1 1 358.479 2.081 20 10 FECDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000797605374 683261428 /nfs/dbraw/zinc/26/14/28/683261428.db2.gz QAOSFNJBUJUKLR-OAHLLOKOSA-N 1 1 357.248 2.121 20 10 FECDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000862475517 683594901 /nfs/dbraw/zinc/59/49/01/683594901.db2.gz NJRXQWQFDFJIRH-OAHLLOKOSA-N 1 1 358.232 2.227 20 10 FECDMO CC(C)(C)n1cc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c(=O)[nH]c1=O ZINC000922496535 683735745 /nfs/dbraw/zinc/73/57/45/683735745.db2.gz IRRVZDMTVWITHR-UHFFFAOYSA-N 1 1 355.797 2.492 20 10 FECDMO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886509903 688270168 /nfs/dbraw/zinc/27/01/68/688270168.db2.gz JFAZCDJLDRATNI-LBPRGKRZSA-N 1 1 352.431 2.431 20 10 FECDMO COc1ccc(C[NH+]2CCN(C3=NCC(C)(C)S3)CC2)c(O)c1OC ZINC000891720441 689097137 /nfs/dbraw/zinc/09/71/37/689097137.db2.gz LAZAZVCNZZLXMW-UHFFFAOYSA-N 1 1 365.499 2.408 20 10 FECDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)cc(Br)c3O)C[C@@H]2C1 ZINC000895576712 689738497 /nfs/dbraw/zinc/73/84/97/689738497.db2.gz PSNVHNKGSUMNIK-OKILXGFUSA-N 1 1 353.260 2.373 20 10 FECDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)cc(Br)c3O)C[C@@H]2C1 ZINC000895576712 689738499 /nfs/dbraw/zinc/73/84/99/689738499.db2.gz PSNVHNKGSUMNIK-OKILXGFUSA-N 1 1 353.260 2.373 20 10 FECDMO O=C1N[C@H](C2CC[NH+](Cc3cccc(Br)c3O)CC2)CO1 ZINC000897023477 689965102 /nfs/dbraw/zinc/96/51/02/689965102.db2.gz CYJSTTUIGCGNJQ-ZDUSSCGKSA-N 1 1 355.232 2.475 20 10 FECDMO O=C(Nc1nccs1)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000057088924 540767618 /nfs/dbraw/zinc/76/76/18/540767618.db2.gz AZIGIWOURYZGBY-LLVKDONJSA-N 1 1 361.423 2.428 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(NC(=O)c3ccc[nH]3)CC2)c1O ZINC000079409907 542516888 /nfs/dbraw/zinc/51/68/88/542516888.db2.gz GTTFPMPMASRRKG-UHFFFAOYSA-N 1 1 359.401 2.456 20 10 FECDMO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081557861 542665018 /nfs/dbraw/zinc/66/50/18/542665018.db2.gz YATGWNDOJMLZEL-IAGOWNOFSA-N 1 1 361.461 2.153 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c1O ZINC000089924971 542773646 /nfs/dbraw/zinc/77/36/46/542773646.db2.gz ZZWGSJITXJYMEK-SFHVURJKSA-N 1 1 361.417 2.413 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c1O ZINC000089924972 542773667 /nfs/dbraw/zinc/77/36/67/542773667.db2.gz ZZWGSJITXJYMEK-GOSISDBHSA-N 1 1 361.417 2.413 20 10 FECDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1O ZINC000121685143 543698720 /nfs/dbraw/zinc/69/87/20/543698720.db2.gz FSDVATNOMXFWLZ-UHFFFAOYSA-N 1 1 374.890 2.104 20 10 FECDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1O ZINC000121685143 543698721 /nfs/dbraw/zinc/69/87/21/543698721.db2.gz FSDVATNOMXFWLZ-UHFFFAOYSA-N 1 1 374.890 2.104 20 10 FECDMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123491922 543764877 /nfs/dbraw/zinc/76/48/77/543764877.db2.gz RMWZCORGJRMXAD-INIZCTEOSA-N 1 1 358.442 2.352 20 10 FECDMO Cc1n[nH]c(C)c1NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123491922 543764879 /nfs/dbraw/zinc/76/48/79/543764879.db2.gz RMWZCORGJRMXAD-INIZCTEOSA-N 1 1 358.442 2.352 20 10 FECDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000132949511 544249583 /nfs/dbraw/zinc/24/95/83/544249583.db2.gz OOKPTFXVHGJZSG-QGZVFWFLSA-N 1 1 373.409 2.143 20 10 FECDMO c1cc(N2CCOCC2)ccc1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000134094594 544294328 /nfs/dbraw/zinc/29/43/28/544294328.db2.gz LBJOVXABMZSJRP-UHFFFAOYSA-N 1 1 359.514 2.067 20 10 FECDMO C[C@@H](CNC(=O)NCc1cc(Br)ccc1O)[N@@H+](C)C1CC1 ZINC000805186777 674325009 /nfs/dbraw/zinc/32/50/09/674325009.db2.gz SREDWJWSCBGCTF-JTQLQIEISA-N 1 1 356.264 2.437 20 10 FECDMO CCN1CCN([C@H](C)C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000155647240 545554081 /nfs/dbraw/zinc/55/40/81/545554081.db2.gz JSITZHJWSVLFJC-GOSISDBHSA-N 1 1 360.546 2.280 20 10 FECDMO CN(C)c1ccc(CNC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000162089222 546136486 /nfs/dbraw/zinc/13/64/86/546136486.db2.gz OMFBHIQSEJJNBL-UHFFFAOYSA-N 1 1 362.518 2.252 20 10 FECDMO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178522956 546807511 /nfs/dbraw/zinc/80/75/11/546807511.db2.gz JWVHRFITCHAAKQ-MRXNPFEDSA-N 1 1 365.493 2.160 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1O ZINC000184677057 547863921 /nfs/dbraw/zinc/86/39/21/547863921.db2.gz OWZSAIHFQKKIQW-CYBMUJFWSA-N 1 1 368.861 2.125 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1O ZINC000184688010 547865526 /nfs/dbraw/zinc/86/55/26/547865526.db2.gz HRWMWRHOKYPGMG-HNNXBMFYSA-N 1 1 368.861 2.268 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1O ZINC000184688010 547865533 /nfs/dbraw/zinc/86/55/33/547865533.db2.gz HRWMWRHOKYPGMG-HNNXBMFYSA-N 1 1 368.861 2.268 20 10 FECDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000184968566 547909390 /nfs/dbraw/zinc/90/93/90/547909390.db2.gz CWQSZRSOBALOIB-OAHLLOKOSA-N 1 1 356.470 2.398 20 10 FECDMO Cc1cc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000188689974 548285211 /nfs/dbraw/zinc/28/52/11/548285211.db2.gz MTVJVMPNSJERMP-INIZCTEOSA-N 1 1 370.497 2.406 20 10 FECDMO Cc1cc(C(=O)CN2CC[NH+](C[C@H](C)O)CC2)c(C)n1-c1cccc(F)c1 ZINC000189378129 548301598 /nfs/dbraw/zinc/30/15/98/548301598.db2.gz GGNNGXJXJOWNBJ-INIZCTEOSA-N 1 1 373.472 2.414 20 10 FECDMO COc1cccc(CNC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000266684259 550023141 /nfs/dbraw/zinc/02/31/41/550023141.db2.gz RXZXUIXCMDQGJQ-OKILXGFUSA-N 1 1 365.474 2.088 20 10 FECDMO COc1cccc(CNC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000266684259 550023144 /nfs/dbraw/zinc/02/31/44/550023144.db2.gz RXZXUIXCMDQGJQ-OKILXGFUSA-N 1 1 365.474 2.088 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1C ZINC000269314077 550179713 /nfs/dbraw/zinc/17/97/13/550179713.db2.gz GVFYRYNHFOGWQQ-HNNXBMFYSA-N 1 1 352.442 2.157 20 10 FECDMO CCCOc1ccc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c(O)c1 ZINC000271162406 550347310 /nfs/dbraw/zinc/34/73/10/550347310.db2.gz YAWMTUHPVXJRMW-QGZVFWFLSA-N 1 1 355.475 2.415 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)C[C@H](O)COCc2ccccc2)cc1OC ZINC000271718451 550397458 /nfs/dbraw/zinc/39/74/58/550397458.db2.gz IZNDFMQTQKDPEY-KRWDZBQOSA-N 1 1 361.438 2.419 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000271718453 550397495 /nfs/dbraw/zinc/39/74/95/550397495.db2.gz IZNDFMQTQKDPEY-QGZVFWFLSA-N 1 1 361.438 2.419 20 10 FECDMO COCCOc1ncccc1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273402604 550497365 /nfs/dbraw/zinc/49/73/65/550497365.db2.gz NOOXCTDYRZEGRQ-CYBMUJFWSA-N 1 1 360.410 2.450 20 10 FECDMO C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273551147 550502795 /nfs/dbraw/zinc/50/27/95/550502795.db2.gz FYJDCGLDZMDUCG-CQSZACIVSA-N 1 1 350.463 2.225 20 10 FECDMO COc1cc(N2CC[NH+](CCC(=O)OC(C)C)CC2)cc(OC)c1OC ZINC000273563958 550503145 /nfs/dbraw/zinc/50/31/45/550503145.db2.gz DTLXCMVPNHOGBW-UHFFFAOYSA-N 1 1 366.458 2.176 20 10 FECDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278294358 550769921 /nfs/dbraw/zinc/76/99/21/550769921.db2.gz VCJZJVJRLYOQRZ-CYBMUJFWSA-N 1 1 351.403 2.047 20 10 FECDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278294358 550769923 /nfs/dbraw/zinc/76/99/23/550769923.db2.gz VCJZJVJRLYOQRZ-CYBMUJFWSA-N 1 1 351.403 2.047 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1[N+](=O)[O-] ZINC000278327986 550773399 /nfs/dbraw/zinc/77/33/99/550773399.db2.gz YWSBDLASVAKHLR-CYBMUJFWSA-N 1 1 373.413 2.226 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1[N+](=O)[O-] ZINC000278327986 550773400 /nfs/dbraw/zinc/77/34/00/550773400.db2.gz YWSBDLASVAKHLR-CYBMUJFWSA-N 1 1 373.413 2.226 20 10 FECDMO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000278544514 550797507 /nfs/dbraw/zinc/79/75/07/550797507.db2.gz YAMLLVFKSKZGJW-CYBMUJFWSA-N 1 1 360.366 2.411 20 10 FECDMO COc1c(O)c(C[NH2+]CCN(C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278611962 550804035 /nfs/dbraw/zinc/80/40/35/550804035.db2.gz DWIAHFPEWBTARA-UHFFFAOYSA-N 1 1 355.391 2.266 20 10 FECDMO COc1c(O)c(C[NH2+]CCNC(=O)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278895329 550833564 /nfs/dbraw/zinc/83/35/64/550833564.db2.gz QGEPETOJSJAMCG-UHFFFAOYSA-N 1 1 359.382 2.137 20 10 FECDMO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279260452 550870911 /nfs/dbraw/zinc/87/09/11/550870911.db2.gz VMJQLNFCNKUAGS-LJQANCHMSA-N 1 1 361.461 2.030 20 10 FECDMO CN(C(=O)NCc1ccc(N2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287325283 551989788 /nfs/dbraw/zinc/98/97/88/551989788.db2.gz WQTMWABMMXSFLC-YOFSQIOKSA-N 1 1 372.513 2.290 20 10 FECDMO Cc1cnn([C@H]2CC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)c1 ZINC000290004782 552412651 /nfs/dbraw/zinc/41/26/51/552412651.db2.gz UCHVGIREJRNCJH-IBGZPJMESA-N 1 1 355.486 2.163 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)C(C)(F)F)CC2)cc1 ZINC000293306344 552809644 /nfs/dbraw/zinc/80/96/44/552809644.db2.gz PYNLMPMBDMKRGB-AWEZNQCLSA-N 1 1 355.429 2.225 20 10 FECDMO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000293584904 552837929 /nfs/dbraw/zinc/83/79/29/552837929.db2.gz KAHFGLMVYNDHRJ-IAQYHMDHSA-N 1 1 363.838 2.011 20 10 FECDMO C[N@H+]1CCC[C@]2(CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000297316207 553277600 /nfs/dbraw/zinc/27/76/00/553277600.db2.gz IPNJXDSLLCUDFY-NRFANRHFSA-N 1 1 372.513 2.151 20 10 FECDMO Cc1[nH+]ccn1CCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000298949295 553493626 /nfs/dbraw/zinc/49/36/26/553493626.db2.gz LGFGRUYZZQOAFG-UHFFFAOYSA-N 1 1 371.485 2.260 20 10 FECDMO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000299328138 553548709 /nfs/dbraw/zinc/54/87/09/553548709.db2.gz GOUNNBGKPCXQKW-UHFFFAOYSA-N 1 1 354.516 2.168 20 10 FECDMO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000299328138 553548711 /nfs/dbraw/zinc/54/87/11/553548711.db2.gz GOUNNBGKPCXQKW-UHFFFAOYSA-N 1 1 354.516 2.168 20 10 FECDMO COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)cc1F ZINC000364112666 555251743 /nfs/dbraw/zinc/25/17/43/555251743.db2.gz VFEVULQNYZZPJC-JKSUJKDBSA-N 1 1 361.461 2.357 20 10 FECDMO CCOC(=O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000367176127 556003074 /nfs/dbraw/zinc/00/30/74/556003074.db2.gz GUNFFHDVESWYBW-CQSZACIVSA-N 1 1 354.834 2.079 20 10 FECDMO O=C(Cc1cncnc1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000368151800 556231060 /nfs/dbraw/zinc/23/10/60/556231060.db2.gz JVMLSHCGCZSQQJ-INIZCTEOSA-N 1 1 360.845 2.159 20 10 FECDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000373617029 557730228 /nfs/dbraw/zinc/73/02/28/557730228.db2.gz XUYNLRIVFCXVNL-KRWDZBQOSA-N 1 1 358.841 2.156 20 10 FECDMO COc1ccc(CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(O)c1 ZINC000373665394 557734292 /nfs/dbraw/zinc/73/42/92/557734292.db2.gz HVFZNPGRGXITLB-IBGZPJMESA-N 1 1 370.449 2.308 20 10 FECDMO COc1ccc(CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(O)c1 ZINC000373665394 557734293 /nfs/dbraw/zinc/73/42/93/557734293.db2.gz HVFZNPGRGXITLB-IBGZPJMESA-N 1 1 370.449 2.308 20 10 FECDMO C[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1C(=O)N1CCOCC1 ZINC000375518732 558041977 /nfs/dbraw/zinc/04/19/77/558041977.db2.gz KHUKVDBQEMIESD-VXGBXAGGSA-N 1 1 356.825 2.111 20 10 FECDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1C(=O)N1CCOCC1 ZINC000375518732 558041979 /nfs/dbraw/zinc/04/19/79/558041979.db2.gz KHUKVDBQEMIESD-VXGBXAGGSA-N 1 1 356.825 2.111 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000377304433 558310893 /nfs/dbraw/zinc/31/08/93/558310893.db2.gz AELHBIUGWIEUKQ-CYBMUJFWSA-N 1 1 360.414 2.497 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000377304433 558310895 /nfs/dbraw/zinc/31/08/95/558310895.db2.gz AELHBIUGWIEUKQ-CYBMUJFWSA-N 1 1 360.414 2.497 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1 ZINC000377708716 558402483 /nfs/dbraw/zinc/40/24/83/558402483.db2.gz XQMYSFWIUKITSW-JKSUJKDBSA-N 1 1 364.442 2.270 20 10 FECDMO Cn1cc([C@@H]2[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3)CCC[N@H+]2C)cn1 ZINC000378537490 558577797 /nfs/dbraw/zinc/57/77/97/558577797.db2.gz FAJKQWDKCWXNPJ-LMHMUCQPSA-N 1 1 370.453 2.044 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000422379741 559583497 /nfs/dbraw/zinc/58/34/97/559583497.db2.gz MREREFQSAJJYMQ-UHFFFAOYSA-N 1 1 370.497 2.094 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000527467021 562289120 /nfs/dbraw/zinc/28/91/20/562289120.db2.gz PYIWLYRHRRUVFL-MRXNPFEDSA-N 1 1 371.529 2.169 20 10 FECDMO CNC(=O)NC[C@H]1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000530104845 562398465 /nfs/dbraw/zinc/39/84/65/562398465.db2.gz PXXUTUNMZVNXAI-ZDUSSCGKSA-N 1 1 373.453 2.147 20 10 FECDMO CNC(=O)NC[C@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000530104845 562398466 /nfs/dbraw/zinc/39/84/66/562398466.db2.gz PXXUTUNMZVNXAI-ZDUSSCGKSA-N 1 1 373.453 2.147 20 10 FECDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000809785960 674509855 /nfs/dbraw/zinc/50/98/55/674509855.db2.gz IZVFTGZFPCHLFP-ZDUSSCGKSA-N 1 1 358.479 2.413 20 10 FECDMO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C(=O)N1c1cnn(C)c1 ZINC000816554662 675064842 /nfs/dbraw/zinc/06/48/42/675064842.db2.gz FLMNALKEVJYSFJ-XPTSAGLGSA-N 1 1 352.797 2.202 20 10 FECDMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000732275184 673361218 /nfs/dbraw/zinc/36/12/18/673361218.db2.gz GGAPJLHDDJAUHM-UHFFFAOYSA-N 1 1 359.451 2.023 20 10 FECDMO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)[NH+]3CCSCC3)C2)cc1 ZINC000819586366 675302891 /nfs/dbraw/zinc/30/28/91/675302891.db2.gz OHAWGUGEKGPTMI-CVEARBPZSA-N 1 1 363.527 2.075 20 10 FECDMO COc1cccc(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1O ZINC000824832331 675624543 /nfs/dbraw/zinc/62/45/43/675624543.db2.gz XTQWDZMLISSEME-AAEUAGOBSA-N 1 1 358.360 2.243 20 10 FECDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(Br)cc1O ZINC000825621631 675661293 /nfs/dbraw/zinc/66/12/93/675661293.db2.gz NHOQDXNOUXEBAS-LBPRGKRZSA-N 1 1 357.292 2.432 20 10 FECDMO COCC[N@@H+]1[C@H](C)CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000826632584 675696583 /nfs/dbraw/zinc/69/65/83/675696583.db2.gz ISDKXZXLEOSMJT-BETUJISGSA-N 1 1 353.419 2.157 20 10 FECDMO Oc1c(Br)cccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000827699262 675773569 /nfs/dbraw/zinc/77/35/69/675773569.db2.gz FWGSBFBYTPSYFP-AWEZNQCLSA-N 1 1 355.276 2.186 20 10 FECDMO Oc1c(Br)cccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000827699262 675773571 /nfs/dbraw/zinc/77/35/71/675773571.db2.gz FWGSBFBYTPSYFP-AWEZNQCLSA-N 1 1 355.276 2.186 20 10 FECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000840909687 680852241 /nfs/dbraw/zinc/85/22/41/680852241.db2.gz GNJVSLBJZANTKC-QGZVFWFLSA-N 1 1 353.532 2.355 20 10 FECDMO Cc1cc(O)c(CNCC(=O)NCC[NH+]2CCCCCC2)c(Cl)c1 ZINC000840950958 680856246 /nfs/dbraw/zinc/85/62/46/680856246.db2.gz UZHFVSWNLHQGJU-UHFFFAOYSA-N 1 1 353.894 2.436 20 10 FECDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000841043264 680860714 /nfs/dbraw/zinc/86/07/14/680860714.db2.gz QAHLKVDBFFZJSE-CQSZACIVSA-N 1 1 352.280 2.038 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000835026192 680286786 /nfs/dbraw/zinc/28/67/86/680286786.db2.gz RWXDMHSGCVEFPI-HPFMTEOYSA-N 1 1 351.516 2.170 20 10 FECDMO CS(=O)(=O)CC1(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000767426364 680911494 /nfs/dbraw/zinc/91/14/94/680911494.db2.gz PUCQBFULGASEIU-INIZCTEOSA-N 1 1 353.484 2.198 20 10 FECDMO CS(=O)(=O)CC1(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000767426364 680911495 /nfs/dbraw/zinc/91/14/95/680911495.db2.gz PUCQBFULGASEIU-INIZCTEOSA-N 1 1 353.484 2.198 20 10 FECDMO CN(CC[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)C(=O)OC(C)(C)C ZINC000768459965 680947628 /nfs/dbraw/zinc/94/76/28/680947628.db2.gz IPSINAJCURFOMV-HNNXBMFYSA-N 1 1 352.431 2.117 20 10 FECDMO COc1cccc(O)c1C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000769154974 680972797 /nfs/dbraw/zinc/97/27/97/680972797.db2.gz ZFHXCCOLZHQLFC-UHFFFAOYSA-N 1 1 352.385 2.310 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1F ZINC000772599751 681104119 /nfs/dbraw/zinc/10/41/19/681104119.db2.gz NXHZCNKAYKCDGT-INIZCTEOSA-N 1 1 371.522 2.433 20 10 FECDMO C[C@H]1CN(c2ccc(CNC(=O)CC(F)(F)C[NH3+])cc2F)C[C@H](C)O1 ZINC000846672341 681274466 /nfs/dbraw/zinc/27/44/66/681274466.db2.gz FPGCQUAMEMELRG-RYUDHWBXSA-N 1 1 359.392 2.040 20 10 FECDMO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2nnnn2C2CC2)c1O ZINC000848532559 681573660 /nfs/dbraw/zinc/57/36/60/681573660.db2.gz BWRCCYOINQJNLN-MRVPVSSYSA-N 1 1 368.235 2.336 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000848557139 681577822 /nfs/dbraw/zinc/57/78/22/681577822.db2.gz FMUHWYCBUVZZNW-BYNSBNAKSA-N 1 1 350.459 2.327 20 10 FECDMO [O-]c1c(Br)cccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848908205 681640899 /nfs/dbraw/zinc/64/08/99/681640899.db2.gz ZBUGUWXBBYBFKG-CQSZACIVSA-N 1 1 355.276 2.498 20 10 FECDMO C[NH+](C)CCN1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858095682 682933928 /nfs/dbraw/zinc/93/39/28/682933928.db2.gz RSDCSZSIHBSQIH-UHFFFAOYSA-N 1 1 356.308 2.270 20 10 FECDMO CN(C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1)S(C)(=O)=O ZINC000795657904 683078190 /nfs/dbraw/zinc/07/81/90/683078190.db2.gz ZGURMSBLNSLJLK-OAHLLOKOSA-N 1 1 366.527 2.374 20 10 FECDMO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cc(Br)c(F)cc1O ZINC000795845473 683097314 /nfs/dbraw/zinc/09/73/14/683097314.db2.gz QCQSDIUNBLWWOQ-LURJTMIESA-N 1 1 355.154 2.326 20 10 FECDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c(O)cccc1Br ZINC000862364646 683577422 /nfs/dbraw/zinc/57/74/22/683577422.db2.gz FSNFHMAKJASFQC-STQMWFEESA-N 1 1 355.276 2.450 20 10 FECDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862419650 683588900 /nfs/dbraw/zinc/58/89/00/683588900.db2.gz RHMGPYGNVOBGAP-LLVKDONJSA-N 1 1 356.264 2.342 20 10 FECDMO C[NH2+]CCOCCN(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000863646753 683756647 /nfs/dbraw/zinc/75/66/47/683756647.db2.gz DQXMTPLXEAZTOU-UHFFFAOYSA-N 1 1 350.463 2.253 20 10 FECDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876758972 686262077 /nfs/dbraw/zinc/26/20/77/686262077.db2.gz MASNUPQQXDVMMI-QGZVFWFLSA-N 1 1 364.511 2.128 20 10 FECDMO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000877799000 686465778 /nfs/dbraw/zinc/46/57/78/686465778.db2.gz HDTBQDHWTUVPAG-COXVUDFISA-N 1 1 350.434 2.163 20 10 FECDMO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882917919 687527637 /nfs/dbraw/zinc/52/76/37/687527637.db2.gz YHKSZWLLZDXKGO-SNVBAGLBSA-N 1 1 356.394 2.429 20 10 FECDMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1c(O)cccc1F ZINC000886598783 688281764 /nfs/dbraw/zinc/28/17/64/688281764.db2.gz JZSZHENDEXEUCH-GFCCVEGCSA-N 1 1 353.415 2.148 20 10 FECDMO COc1ccc(C[N@H+](C)CC(=O)NCc2cccs2)c(O)c1OC ZINC000892046062 689144469 /nfs/dbraw/zinc/14/44/69/689144469.db2.gz MALNWFLPPWGTCL-UHFFFAOYSA-N 1 1 350.440 2.219 20 10 FECDMO COc1ccc(C[N@@H+](C)CC(=O)NCc2cccs2)c(O)c1OC ZINC000892046062 689144471 /nfs/dbraw/zinc/14/44/71/689144471.db2.gz MALNWFLPPWGTCL-UHFFFAOYSA-N 1 1 350.440 2.219 20 10 FECDMO COc1ccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)c(O)c1OC ZINC000893614103 689375730 /nfs/dbraw/zinc/37/57/30/689375730.db2.gz PPHTVBMLAISXTA-OAHLLOKOSA-N 1 1 365.451 2.285 20 10 FECDMO COc1cc(C)cc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1O ZINC000893947215 689435623 /nfs/dbraw/zinc/43/56/23/689435623.db2.gz URKRLPVUABFHEC-HNNXBMFYSA-N 1 1 356.488 2.003 20 10 FECDMO Cc1cc(Br)c(O)c(CN2CCN(C)CC[N@H+](C)CC2)c1 ZINC000897856525 690091691 /nfs/dbraw/zinc/09/16/91/690091691.db2.gz OXVZKYKYCRVTCV-UHFFFAOYSA-N 1 1 356.308 2.142 20 10 FECDMO CCN(CC)c1ccc(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc1F ZINC000900636631 690541596 /nfs/dbraw/zinc/54/15/96/690541596.db2.gz KZFMURXTTDTRQV-LJQANCHMSA-N 1 1 351.466 2.135 20 10 FECDMO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000015571782 539620179 /nfs/dbraw/zinc/62/01/79/539620179.db2.gz DTRMTSKXSCXMHS-ZDUSSCGKSA-N 1 1 359.392 2.022 20 10 FECDMO CCC[C@@H](C)[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051686465 540441220 /nfs/dbraw/zinc/44/12/20/540441220.db2.gz PDJWWXXYCIXYGS-OAHLLOKOSA-N 1 1 351.466 2.399 20 10 FECDMO CC(C)[N@@H+](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000063582185 541174104 /nfs/dbraw/zinc/17/41/04/541174104.db2.gz MDECIXHZJOYGAC-GJZGRUSLSA-N 1 1 351.466 2.396 20 10 FECDMO CCC[N@@H+](CC(=O)N[C@@H](C(=O)NC)c1ccccc1)Cc1ccccc1O ZINC000068973610 541645942 /nfs/dbraw/zinc/64/59/42/541645942.db2.gz PJXDTOLICWTWMD-HXUWFJFHSA-N 1 1 369.465 2.208 20 10 FECDMO c1nc2c(ncnc2NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[nH]1 ZINC000091676902 542819715 /nfs/dbraw/zinc/81/97/15/542819715.db2.gz MDSUJMCKCPFVLQ-UHFFFAOYSA-N 1 1 363.469 2.497 20 10 FECDMO CCCOc1ccc(C[NH+]2CCN(Cc3noc(CC)n3)CC2)c(O)c1 ZINC000093283929 542923763 /nfs/dbraw/zinc/92/37/63/542923763.db2.gz KSMADYZDQZALKZ-UHFFFAOYSA-N 1 1 360.458 2.444 20 10 FECDMO C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+](C)Cc1ccccc1O ZINC000111235249 543388682 /nfs/dbraw/zinc/38/86/82/543388682.db2.gz PBZQMDZZIPGZFQ-GOEBONIOSA-N 1 1 356.422 2.169 20 10 FECDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc[n+]([O-])c1 ZINC000134262860 544300335 /nfs/dbraw/zinc/30/03/35/544300335.db2.gz CWEKGIBOTDVANF-MRXNPFEDSA-N 1 1 361.829 2.073 20 10 FECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc[n+]([O-])c1 ZINC000134262860 544300338 /nfs/dbraw/zinc/30/03/38/544300338.db2.gz CWEKGIBOTDVANF-MRXNPFEDSA-N 1 1 361.829 2.073 20 10 FECDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc[n+]([O-])c1 ZINC000134262881 544300434 /nfs/dbraw/zinc/30/04/34/544300434.db2.gz CWEKGIBOTDVANF-INIZCTEOSA-N 1 1 361.829 2.073 20 10 FECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc[n+]([O-])c1 ZINC000134262881 544300437 /nfs/dbraw/zinc/30/04/37/544300437.db2.gz CWEKGIBOTDVANF-INIZCTEOSA-N 1 1 361.829 2.073 20 10 FECDMO C[C@H](CNC(=O)NCc1cc(Br)ccc1O)[N@@H+](C)C1CC1 ZINC000805186778 674324865 /nfs/dbraw/zinc/32/48/65/674324865.db2.gz SREDWJWSCBGCTF-SNVBAGLBSA-N 1 1 356.264 2.437 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1 ZINC000159448860 545954361 /nfs/dbraw/zinc/95/43/61/545954361.db2.gz SLDMYUKTOYVJQW-OAHLLOKOSA-N 1 1 356.488 2.085 20 10 FECDMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c(C)n1-c1ccccn1 ZINC000162117546 546136773 /nfs/dbraw/zinc/13/67/73/546136773.db2.gz MEPLOIDHJSLOHR-QZTJIDSGSA-N 1 1 368.481 2.472 20 10 FECDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c(C)n1-c1ccccn1 ZINC000162117546 546136780 /nfs/dbraw/zinc/13/67/80/546136780.db2.gz MEPLOIDHJSLOHR-QZTJIDSGSA-N 1 1 368.481 2.472 20 10 FECDMO COc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c1O ZINC000174182332 546292527 /nfs/dbraw/zinc/29/25/27/546292527.db2.gz CHUGAFRWBLIPFK-UHFFFAOYSA-N 1 1 367.409 2.289 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1OC ZINC000180727881 547168634 /nfs/dbraw/zinc/16/86/34/547168634.db2.gz VSFXBVPPKJFIKL-UGSOOPFHSA-N 1 1 361.442 2.089 20 10 FECDMO CCOCCC[N@H+]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1 ZINC000180786409 547179457 /nfs/dbraw/zinc/17/94/57/547179457.db2.gz SHUKSGZBGYLOLR-YFZXXLGGSA-N 1 1 362.470 2.364 20 10 FECDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000185042068 547922735 /nfs/dbraw/zinc/92/27/35/547922735.db2.gz ICHFYUCNZNITIP-HNNXBMFYSA-N 1 1 356.470 2.398 20 10 FECDMO Cc1ccc(C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(O)c1O ZINC000188147213 548272465 /nfs/dbraw/zinc/27/24/65/548272465.db2.gz HNYMIZHWVMADRV-NRFANRHFSA-N 1 1 370.449 2.115 20 10 FECDMO C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000193008008 548378276 /nfs/dbraw/zinc/37/82/76/548378276.db2.gz SHDBNVQLSDNNLS-SECBINFHSA-N 1 1 356.271 2.411 20 10 FECDMO Cc1nc(C[NH+]2CCC(CNC(=O)Cc3ccc(N)cc3)CC2)oc1C ZINC000237721039 548847611 /nfs/dbraw/zinc/84/76/11/548847611.db2.gz HFNMYAXUXMGFLA-UHFFFAOYSA-N 1 1 356.470 2.445 20 10 FECDMO C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1 ZINC000246680994 549188075 /nfs/dbraw/zinc/18/80/75/549188075.db2.gz VVHHGEYCBKSPJS-FXAWDEMLSA-N 1 1 369.513 2.491 20 10 FECDMO COCC[N@H+]1CC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000266891010 550025092 /nfs/dbraw/zinc/02/50/92/550025092.db2.gz UVUSONUPBDKETO-GOSISDBHSA-N 1 1 362.518 2.393 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000267467562 550032230 /nfs/dbraw/zinc/03/22/30/550032230.db2.gz WUAQWXKCCOGWKP-KRWDZBQOSA-N 1 1 355.486 2.314 20 10 FECDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268197472 550038227 /nfs/dbraw/zinc/03/82/27/550038227.db2.gz NZHXABINNPQSBF-OHXZLLPFSA-N 1 1 355.482 2.135 20 10 FECDMO CCCOc1ccc(C[N@@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000271040483 550334169 /nfs/dbraw/zinc/33/41/69/550334169.db2.gz NTSSZQGUTSEISN-INIZCTEOSA-N 1 1 371.499 2.207 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)c1 ZINC000273361399 550495643 /nfs/dbraw/zinc/49/56/43/550495643.db2.gz DCCTXVMRDXOXRK-GFCCVEGCSA-N 1 1 360.385 2.399 20 10 FECDMO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000273613451 550505258 /nfs/dbraw/zinc/50/52/58/550505258.db2.gz WVDGIIYDKZFFDT-ZBFHGGJFSA-N 1 1 350.459 2.066 20 10 FECDMO C[C@@H](CNC(=O)NCc1cccc(Br)c1O)[N@@H+](C)C1CC1 ZINC000277654026 550697008 /nfs/dbraw/zinc/69/70/08/550697008.db2.gz YOQMTQOYHADDLL-JTQLQIEISA-N 1 1 356.264 2.437 20 10 FECDMO COc1c(O)c(C[NH+]2CCC(NC(=O)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278145923 550754322 /nfs/dbraw/zinc/75/43/22/550754322.db2.gz BRAJQIVLGYUCAE-UHFFFAOYSA-N 1 1 351.403 2.046 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@@H](O)COc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000278833485 550827034 /nfs/dbraw/zinc/82/70/34/550827034.db2.gz IWTDUSMRUOOGCP-CQSZACIVSA-N 1 1 362.382 2.147 20 10 FECDMO COc1c(O)c(C[NH2+]C2CCN(C(=O)CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278921083 550836081 /nfs/dbraw/zinc/83/60/81/550836081.db2.gz UTXMRMVJHZMHGX-UHFFFAOYSA-N 1 1 365.430 2.436 20 10 FECDMO COc1c([O-])c(CN(CCC[NH+](C)C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000289743213 552371445 /nfs/dbraw/zinc/37/14/45/552371445.db2.gz IROVYCDWSDCSPF-UHFFFAOYSA-N 1 1 368.478 2.014 20 10 FECDMO CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1ccc(N(C)C)c(C)c1 ZINC000294363128 552900432 /nfs/dbraw/zinc/90/04/32/552900432.db2.gz ASZYPJDDQJTKPP-SFHVURJKSA-N 1 1 362.518 2.043 20 10 FECDMO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000295560906 553026252 /nfs/dbraw/zinc/02/62/52/553026252.db2.gz ZCAGXZVQNNNZLW-SFHVURJKSA-N 1 1 359.495 2.331 20 10 FECDMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000295560906 553026256 /nfs/dbraw/zinc/02/62/56/553026256.db2.gz ZCAGXZVQNNNZLW-SFHVURJKSA-N 1 1 359.495 2.331 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+]3CCN(C[C@@H](C)O)C[C@H]3C)cc2)CC1 ZINC000295653035 553039594 /nfs/dbraw/zinc/03/95/94/553039594.db2.gz DEYQDVHEPVTABK-QZTJIDSGSA-N 1 1 361.530 2.189 20 10 FECDMO COC1CCN(c2ccc(C[N@H+]3CCN(C[C@@H](C)O)C[C@H]3C)cc2)CC1 ZINC000295653035 553039597 /nfs/dbraw/zinc/03/95/97/553039597.db2.gz DEYQDVHEPVTABK-QZTJIDSGSA-N 1 1 361.530 2.189 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000298033645 553374494 /nfs/dbraw/zinc/37/44/94/553374494.db2.gz NYUARHXNSBIGRA-UHFFFAOYSA-N 1 1 361.486 2.074 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000361644560 554927649 /nfs/dbraw/zinc/92/76/49/554927649.db2.gz OHPWNUCPFFCLGN-KRWDZBQOSA-N 1 1 353.470 2.038 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000361644560 554927652 /nfs/dbraw/zinc/92/76/52/554927652.db2.gz OHPWNUCPFFCLGN-KRWDZBQOSA-N 1 1 353.470 2.038 20 10 FECDMO COc1cccc(C[NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1O ZINC000364355167 555297605 /nfs/dbraw/zinc/29/76/05/555297605.db2.gz BXHXILAHVDUWIK-NSHDSACASA-N 1 1 356.348 2.407 20 10 FECDMO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(O)c1O ZINC000365007656 555462900 /nfs/dbraw/zinc/46/29/00/555462900.db2.gz AYSJSBLRGQIMGW-MRXNPFEDSA-N 1 1 355.438 2.443 20 10 FECDMO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1cccc(F)c1[O-] ZINC000368023690 556197365 /nfs/dbraw/zinc/19/73/65/556197365.db2.gz XYDXQRCBRWMLKN-UHFFFAOYSA-N 1 1 361.465 2.005 20 10 FECDMO CC[C@@H](c1ccccc1O)[NH+]1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000368037576 556200902 /nfs/dbraw/zinc/20/09/02/556200902.db2.gz NASYVURSRAFMNG-WBVHZDCISA-N 1 1 352.500 2.084 20 10 FECDMO CN1CCCc2cc(CNC(=O)N3CCC[N@@H+](CC(C)(C)O)CC3)ccc21 ZINC000368703645 556391025 /nfs/dbraw/zinc/39/10/25/556391025.db2.gz JHJUUKKEWMAZOE-UHFFFAOYSA-N 1 1 374.529 2.057 20 10 FECDMO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000369025169 556479872 /nfs/dbraw/zinc/47/98/72/556479872.db2.gz KEJLXURLPQQCOI-OAHLLOKOSA-N 1 1 372.469 2.180 20 10 FECDMO COc1ccc(N2CCC([N@@H+](C)CC(=O)NCc3cccnc3)CC2)cc1 ZINC000369816254 556703209 /nfs/dbraw/zinc/70/32/09/556703209.db2.gz QTJRTPHVGJJXOR-UHFFFAOYSA-N 1 1 368.481 2.307 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371592352 557232729 /nfs/dbraw/zinc/23/27/29/557232729.db2.gz KNAFGYAOGLQVQT-OUXAZZEQSA-N 1 1 355.482 2.279 20 10 FECDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000372283223 557429238 /nfs/dbraw/zinc/42/92/38/557429238.db2.gz RSAVAHKPCDZVPO-CABCVRRESA-N 1 1 353.390 2.276 20 10 FECDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000372283223 557429239 /nfs/dbraw/zinc/42/92/39/557429239.db2.gz RSAVAHKPCDZVPO-CABCVRRESA-N 1 1 353.390 2.276 20 10 FECDMO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000373206312 557649853 /nfs/dbraw/zinc/64/98/53/557649853.db2.gz ARNKWSFDWFSTNH-CYBMUJFWSA-N 1 1 360.366 2.411 20 10 FECDMO O=C1[C@@H]2C[N@H+](Cc3cccc(F)c3O)CCN2C(=O)N1c1ccccc1 ZINC000374698656 557918388 /nfs/dbraw/zinc/91/83/88/557918388.db2.gz REDSSKDHNLVIPM-INIZCTEOSA-N 1 1 355.369 2.184 20 10 FECDMO O=C1[C@@H]2C[N@@H+](Cc3cccc(F)c3O)CCN2C(=O)N1c1ccccc1 ZINC000374698656 557918389 /nfs/dbraw/zinc/91/83/89/557918389.db2.gz REDSSKDHNLVIPM-INIZCTEOSA-N 1 1 355.369 2.184 20 10 FECDMO CN(C)c1ccc(C2=CC[N@@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)cc1 ZINC000374782862 557930850 /nfs/dbraw/zinc/93/08/50/557930850.db2.gz PZCBLUUORDDRAS-INIZCTEOSA-N 1 1 363.527 2.123 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377621720 558379096 /nfs/dbraw/zinc/37/90/96/558379096.db2.gz GHMHLZSHYJSSFA-QFIPXVFZSA-N 1 1 372.557 2.124 20 10 FECDMO COc1ccc(O)c(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1 ZINC000378638317 558598668 /nfs/dbraw/zinc/59/86/68/558598668.db2.gz QQSGVTHEUHTCRG-QGZVFWFLSA-N 1 1 367.405 2.054 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1 ZINC000378638317 558598669 /nfs/dbraw/zinc/59/86/69/558598669.db2.gz QQSGVTHEUHTCRG-QGZVFWFLSA-N 1 1 367.405 2.054 20 10 FECDMO CNC(=O)CCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444272720 560107689 /nfs/dbraw/zinc/10/76/89/560107689.db2.gz YOPLVDSQOROHMH-UHFFFAOYSA-N 1 1 370.497 2.050 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000472283828 561022918 /nfs/dbraw/zinc/02/29/18/561022918.db2.gz GDVWZYJOFPCNII-MGPUTAFESA-N 1 1 370.497 2.349 20 10 FECDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 ZINC000808227191 674447973 /nfs/dbraw/zinc/44/79/73/674447973.db2.gz VGRNBYSZPGDCBW-HNNXBMFYSA-N 1 1 352.500 2.303 20 10 FECDMO C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000833812610 605993041 /nfs/dbraw/zinc/99/30/41/605993041.db2.gz KPUJHAOMCIYRGZ-WMZOPIPTSA-N 1 1 360.502 2.307 20 10 FECDMO CC[C@H](CSC)[N@@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000091098519 670718942 /nfs/dbraw/zinc/71/89/42/670718942.db2.gz HRWNIUFMWKOXNJ-MRXNPFEDSA-N 1 1 365.543 2.417 20 10 FECDMO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093610658 670753945 /nfs/dbraw/zinc/75/39/45/670753945.db2.gz YKHQIEITESDQDE-OAHLLOKOSA-N 1 1 368.474 2.143 20 10 FECDMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093610658 670753948 /nfs/dbraw/zinc/75/39/48/670753948.db2.gz YKHQIEITESDQDE-OAHLLOKOSA-N 1 1 368.474 2.143 20 10 FECDMO CC[C@H](C)C[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000111254183 670856492 /nfs/dbraw/zinc/85/64/92/670856492.db2.gz SKPIGTIZJBGCHS-HNNXBMFYSA-N 1 1 351.466 2.256 20 10 FECDMO C[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[N@H+]1CC(C)(C)O ZINC000189318575 672613776 /nfs/dbraw/zinc/61/37/76/672613776.db2.gz VOVIMGNLEWGGMU-CYBMUJFWSA-N 1 1 372.560 2.112 20 10 FECDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000325846478 673051114 /nfs/dbraw/zinc/05/11/14/673051114.db2.gz ZFLKVPNWVFWZLP-BBRMVZONSA-N 1 1 351.878 2.126 20 10 FECDMO O=C(NC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000325846478 673051116 /nfs/dbraw/zinc/05/11/16/673051116.db2.gz ZFLKVPNWVFWZLP-BBRMVZONSA-N 1 1 351.878 2.126 20 10 FECDMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C3=CC(=O)CS3)c2)CC1 ZINC000746701245 673890675 /nfs/dbraw/zinc/89/06/75/673890675.db2.gz JFTOFMGDMSTDEU-UHFFFAOYSA-N 1 1 359.451 2.023 20 10 FECDMO COc1ccc(N2CC[C@H](CNC(=O)C[N@@H+](C)[C@@H]3CCSC3)C2)cc1 ZINC000819586853 675302795 /nfs/dbraw/zinc/30/27/95/675302795.db2.gz VCCOGKHHTNKTPU-NVXWUHKLSA-N 1 1 363.527 2.075 20 10 FECDMO CN(Cc1cccs1)c1ccc(C[NH+]2CCN(C(=O)CO)CC2)cc1 ZINC000824351877 675597190 /nfs/dbraw/zinc/59/71/90/675597190.db2.gz WAZOMVRISHFSEP-UHFFFAOYSA-N 1 1 359.495 2.021 20 10 FECDMO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CC12COC2 ZINC000824489248 675605818 /nfs/dbraw/zinc/60/58/18/675605818.db2.gz IAEMKOBTLBXMSK-LBPRGKRZSA-N 1 1 370.243 2.166 20 10 FECDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CC12COC2 ZINC000824489248 675605819 /nfs/dbraw/zinc/60/58/19/675605819.db2.gz IAEMKOBTLBXMSK-LBPRGKRZSA-N 1 1 370.243 2.166 20 10 FECDMO COc1c(O)c(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)ccc1[N+](=O)[O-] ZINC000827236926 675742263 /nfs/dbraw/zinc/74/22/63/675742263.db2.gz HPRSCBOUXZZGEH-UHFFFAOYSA-N 1 1 372.443 2.146 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000827687257 675772827 /nfs/dbraw/zinc/77/28/27/675772827.db2.gz NUSJBMUCFHLHAV-ZDUSSCGKSA-N 1 1 351.403 2.046 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000827687257 675772829 /nfs/dbraw/zinc/77/28/29/675772829.db2.gz NUSJBMUCFHLHAV-ZDUSSCGKSA-N 1 1 351.403 2.046 20 10 FECDMO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000761237145 680716208 /nfs/dbraw/zinc/71/62/08/680716208.db2.gz GPRCQVPDWRFOSD-HNNXBMFYSA-N 1 1 363.845 2.294 20 10 FECDMO O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000838858344 680722825 /nfs/dbraw/zinc/72/28/25/680722825.db2.gz TYXKKYROFGLUNT-GASCZTMLSA-N 1 1 369.303 2.367 20 10 FECDMO O[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000838858344 680722827 /nfs/dbraw/zinc/72/28/27/680722827.db2.gz TYXKKYROFGLUNT-GASCZTMLSA-N 1 1 369.303 2.367 20 10 FECDMO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756447751 680479540 /nfs/dbraw/zinc/47/95/40/680479540.db2.gz YGVYXFFWWWNVGD-JTQLQIEISA-N 1 1 356.394 2.429 20 10 FECDMO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Cl)cc1O ZINC000841749316 680910204 /nfs/dbraw/zinc/91/02/04/680910204.db2.gz CILFXSNPUOHURY-RVPKQNPDSA-N 1 1 351.834 2.417 20 10 FECDMO CCN(Cc1cc(Br)ccc1O)C(=O)NCC(F)(F)C[NH3+] ZINC000841970893 680919587 /nfs/dbraw/zinc/91/95/87/680919587.db2.gz CCPGAURKGRWFGO-UHFFFAOYSA-N 1 1 366.206 2.280 20 10 FECDMO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(F)cc1O ZINC000842882486 680973320 /nfs/dbraw/zinc/97/33/20/680973320.db2.gz GYIZNQYONJEGDN-DGCLKSJQSA-N 1 1 351.399 2.417 20 10 FECDMO COc1cccc(O)c1C[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000769497677 680984922 /nfs/dbraw/zinc/98/49/22/680984922.db2.gz ADLYOKLLPLSNKQ-UHFFFAOYSA-N 1 1 364.467 2.120 20 10 FECDMO COc1cccc(O)c1C[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000769497677 680984925 /nfs/dbraw/zinc/98/49/25/680984925.db2.gz ADLYOKLLPLSNKQ-UHFFFAOYSA-N 1 1 364.467 2.120 20 10 FECDMO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1nccs1 ZINC000772456649 681098477 /nfs/dbraw/zinc/09/84/77/681098477.db2.gz SSZNHIYWJBCFLF-ZDUSSCGKSA-N 1 1 351.497 2.229 20 10 FECDMO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000846186654 681197397 /nfs/dbraw/zinc/19/73/97/681197397.db2.gz HJGOHHJLYDHZHU-DTWKUNHWSA-N 1 1 353.271 2.384 20 10 FECDMO CCc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000775390140 681303415 /nfs/dbraw/zinc/30/34/15/681303415.db2.gz FAPZDLFNRJGJOK-ZDUSSCGKSA-N 1 1 364.833 2.385 20 10 FECDMO CCc1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000775390140 681303417 /nfs/dbraw/zinc/30/34/17/681303417.db2.gz FAPZDLFNRJGJOK-ZDUSSCGKSA-N 1 1 364.833 2.385 20 10 FECDMO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1O ZINC000934263221 681538205 /nfs/dbraw/zinc/53/82/05/681538205.db2.gz NLPNIFNBJPDYFA-IAGOWNOFSA-N 1 1 352.862 2.279 20 10 FECDMO CN1CCN(c2ccc(C[NH2+]CC3(O)CCC(F)(F)CC3)cc2)CC1 ZINC000850405551 681898363 /nfs/dbraw/zinc/89/83/63/681898363.db2.gz TTXKREITYJOXRJ-UHFFFAOYSA-N 1 1 353.457 2.468 20 10 FECDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1 ZINC000853530730 682428672 /nfs/dbraw/zinc/42/86/72/682428672.db2.gz PWSOMJBFPRUEGL-STQMWFEESA-N 1 1 351.390 2.416 20 10 FECDMO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)c1 ZINC000853530730 682428676 /nfs/dbraw/zinc/42/86/76/682428676.db2.gz PWSOMJBFPRUEGL-STQMWFEESA-N 1 1 351.390 2.416 20 10 FECDMO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000793231826 682874309 /nfs/dbraw/zinc/87/43/09/682874309.db2.gz RAEWCBSGDCDOQZ-BEFAXECRSA-N 1 1 350.434 2.042 20 10 FECDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000793231826 682874312 /nfs/dbraw/zinc/87/43/12/682874312.db2.gz RAEWCBSGDCDOQZ-BEFAXECRSA-N 1 1 350.434 2.042 20 10 FECDMO C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Br)c(F)cc1O ZINC000927137968 683211774 /nfs/dbraw/zinc/21/17/74/683211774.db2.gz YQIJMAIBBNTRIM-RTHLEPHNSA-N 1 1 358.211 2.412 20 10 FECDMO O=C(COCC(F)F)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000860242447 683221907 /nfs/dbraw/zinc/22/19/07/683221907.db2.gz RKBHZKCPNVMKSG-ZDUSSCGKSA-N 1 1 362.804 2.408 20 10 FECDMO C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000866572479 684120910 /nfs/dbraw/zinc/12/09/10/684120910.db2.gz ORHHIXSNEWWXEA-SECBINFHSA-N 1 1 354.394 2.376 20 10 FECDMO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000866577654 684121950 /nfs/dbraw/zinc/12/19/50/684121950.db2.gz GEQCNKBORLFGNQ-GFCCVEGCSA-N 1 1 352.431 2.333 20 10 FECDMO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000925153688 684531070 /nfs/dbraw/zinc/53/10/70/684531070.db2.gz ZRRPFMVBDCTOHX-APHBMKBZSA-N 1 1 365.499 2.341 20 10 FECDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)CC1(O)CCOCC1 ZINC000871975716 684900996 /nfs/dbraw/zinc/90/09/96/684900996.db2.gz YZWCQQLKIUEZBX-IBGZPJMESA-N 1 1 350.503 2.256 20 10 FECDMO COc1ccc(N2CC[NH+](CCO[C@@H]3CCCCO3)CC2)c(OC)c1 ZINC000879461426 686827296 /nfs/dbraw/zinc/82/72/96/686827296.db2.gz CDAXDCHIKBWLTN-LJQANCHMSA-N 1 1 350.459 2.369 20 10 FECDMO COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(O)c1OC ZINC000891856361 689118125 /nfs/dbraw/zinc/11/81/25/689118125.db2.gz UDKSHPQQFBHSQM-AWEZNQCLSA-N 1 1 350.459 2.394 20 10 FECDMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)c(O)c1OC ZINC000892042793 689143828 /nfs/dbraw/zinc/14/38/28/689143828.db2.gz RVDFNZSJUTUGLF-LLVKDONJSA-N 1 1 362.348 2.004 20 10 FECDMO COC(=O)c1c(C[N@@H+]2CC[C@](O)(C(F)F)C2)c2cc(F)ccc2n1C ZINC000894888965 689614444 /nfs/dbraw/zinc/61/44/44/689614444.db2.gz LQWIOTUYHJOBFN-QGZVFWFLSA-N 1 1 356.344 2.306 20 10 FECDMO COC(=O)c1c(C[N@H+]2CC[C@](O)(C(F)F)C2)c2cc(F)ccc2n1C ZINC000894888965 689614448 /nfs/dbraw/zinc/61/44/48/689614448.db2.gz LQWIOTUYHJOBFN-QGZVFWFLSA-N 1 1 356.344 2.306 20 10 FECDMO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cc(F)cc(F)c3O)C2)n1 ZINC000895375496 689705436 /nfs/dbraw/zinc/70/54/36/689705436.db2.gz SNBVZGCCDYYOOF-KRWDZBQOSA-N 1 1 353.369 2.185 20 10 FECDMO CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cc(F)cc(F)c3O)C2)n1 ZINC000895375496 689705439 /nfs/dbraw/zinc/70/54/39/689705439.db2.gz SNBVZGCCDYYOOF-KRWDZBQOSA-N 1 1 353.369 2.185 20 10 FECDMO O=C(NCc1cccc(Cl)c1O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000896609417 689905622 /nfs/dbraw/zinc/90/56/22/689905622.db2.gz NTGYNBVUGXFYLR-KBPBESRZSA-N 1 1 355.891 2.425 20 10 FECDMO CN(C)c1ccc([C@H](CNc2ncccc2S(C)(=O)=O)[NH+](C)C)cc1 ZINC000897525761 690034195 /nfs/dbraw/zinc/03/41/95/690034195.db2.gz UKMTWUUVSPYZCX-INIZCTEOSA-N 1 1 362.499 2.266 20 10 FECDMO COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@@H+]2Cc2cc(C)cc(OC)c2O)O1 ZINC000902537585 690775844 /nfs/dbraw/zinc/77/58/44/690775844.db2.gz NTBXEMUIXFTEQB-ULQDDVLXSA-N 1 1 351.443 2.104 20 10 FECDMO COC[C@@H]1CC[C@@H]([C@@H]2COCC[N@H+]2Cc2cc(C)cc(OC)c2O)O1 ZINC000902537585 690775848 /nfs/dbraw/zinc/77/58/48/690775848.db2.gz NTBXEMUIXFTEQB-ULQDDVLXSA-N 1 1 351.443 2.104 20 10 FECDMO COc1cccc(CNC(=O)NCC[N@@H+]2CCc3sccc3C2)c1O ZINC000073819524 542004260 /nfs/dbraw/zinc/00/42/60/542004260.db2.gz URBJKTZTGHYUCS-UHFFFAOYSA-N 1 1 361.467 2.320 20 10 FECDMO COc1cccc(CNC(=O)NCC[N@H+]2CCc3sccc3C2)c1O ZINC000073819524 542004264 /nfs/dbraw/zinc/00/42/64/542004264.db2.gz URBJKTZTGHYUCS-UHFFFAOYSA-N 1 1 361.467 2.320 20 10 FECDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081765543 542676467 /nfs/dbraw/zinc/67/64/67/542676467.db2.gz SCJILXMLBMUXOX-CTNGQTDRSA-N 1 1 371.525 2.386 20 10 FECDMO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)c1 ZINC000091811214 542827066 /nfs/dbraw/zinc/82/70/66/542827066.db2.gz AMXCDGCCNJIVTG-UHFFFAOYSA-N 1 1 356.422 2.455 20 10 FECDMO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000093017478 542903215 /nfs/dbraw/zinc/90/32/15/542903215.db2.gz GRXPAKJEKCKPMT-FQEVSTJZSA-N 1 1 359.514 2.067 20 10 FECDMO CN(C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000113499071 543489307 /nfs/dbraw/zinc/48/93/07/543489307.db2.gz NQJPVHMYMCUZRX-UHFFFAOYSA-N 1 1 360.483 2.075 20 10 FECDMO CN(C(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000113499071 543489309 /nfs/dbraw/zinc/48/93/09/543489309.db2.gz NQJPVHMYMCUZRX-UHFFFAOYSA-N 1 1 360.483 2.075 20 10 FECDMO CN(C)c1ccc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1F ZINC000129289758 544103819 /nfs/dbraw/zinc/10/38/19/544103819.db2.gz MZFXYPMFAHPVGA-UHFFFAOYSA-N 1 1 362.493 2.022 20 10 FECDMO CN(C)c1ccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1F ZINC000129289758 544103820 /nfs/dbraw/zinc/10/38/20/544103820.db2.gz MZFXYPMFAHPVGA-UHFFFAOYSA-N 1 1 362.493 2.022 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1F ZINC000129289758 544103821 /nfs/dbraw/zinc/10/38/21/544103821.db2.gz MZFXYPMFAHPVGA-UHFFFAOYSA-N 1 1 362.493 2.022 20 10 FECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cc[nH]c(=O)c1 ZINC000134260614 544300519 /nfs/dbraw/zinc/30/05/19/544300519.db2.gz LTGWEHJYXBAZPH-HNNXBMFYSA-N 1 1 361.829 2.128 20 10 FECDMO Oc1ccc(Br)cc1CNc1nc(N2CCOCC2)cc[nH+]1 ZINC000804828127 674302733 /nfs/dbraw/zinc/30/27/33/674302733.db2.gz ISROMIYVGRYFIV-UHFFFAOYSA-N 1 1 365.231 2.393 20 10 FECDMO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000156543121 545635278 /nfs/dbraw/zinc/63/52/78/545635278.db2.gz BBWRLTIYLFTLSH-APWZRJJASA-N 1 1 355.486 2.148 20 10 FECDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000157061948 545695300 /nfs/dbraw/zinc/69/53/00/545695300.db2.gz OBJMFLXRSMBXTC-NSHDSACASA-N 1 1 361.364 2.381 20 10 FECDMO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[N@H+]1C1CC1 ZINC000177071082 546539051 /nfs/dbraw/zinc/53/90/51/546539051.db2.gz XZFZZLIGSSMNID-ZBBZLKSMSA-N 1 1 355.482 2.278 20 10 FECDMO CN(Cc1ccccc1O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182899337 547569912 /nfs/dbraw/zinc/56/99/12/547569912.db2.gz IFRLWLVTLYUWBZ-IBGZPJMESA-N 1 1 369.465 2.300 20 10 FECDMO COc1cc(N2CC[NH+](Cc3ccnc(N)c3)CC2)cc(OC)c1OC ZINC000193555666 548390325 /nfs/dbraw/zinc/39/03/25/548390325.db2.gz JWBHWIUBTPEWDM-UHFFFAOYSA-N 1 1 358.442 2.012 20 10 FECDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000263799132 549938775 /nfs/dbraw/zinc/93/87/75/549938775.db2.gz LMPFRLRZVFGMKH-GFCCVEGCSA-N 1 1 350.415 2.468 20 10 FECDMO Cc1n[nH]c([C@H]2CCCN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n1 ZINC000268417455 550062035 /nfs/dbraw/zinc/06/20/35/550062035.db2.gz CATHCSXJPBODGU-KRWDZBQOSA-N 1 1 370.501 2.017 20 10 FECDMO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCN1c1nccn2cnnc12 ZINC000271232721 550356192 /nfs/dbraw/zinc/35/61/92/550356192.db2.gz CLXMICHLEYTBMJ-AWEZNQCLSA-N 1 1 369.448 2.040 20 10 FECDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCN1c1nccn2cnnc12 ZINC000271232721 550356195 /nfs/dbraw/zinc/35/61/95/550356195.db2.gz CLXMICHLEYTBMJ-AWEZNQCLSA-N 1 1 369.448 2.040 20 10 FECDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCN1c1nccn2cnnc12 ZINC000271302112 550362889 /nfs/dbraw/zinc/36/28/89/550362889.db2.gz UMNKDMHZBDXVNG-GFCCVEGCSA-N 1 1 358.833 2.194 20 10 FECDMO CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273374678 550496217 /nfs/dbraw/zinc/49/62/17/550496217.db2.gz GXMGKOVWXJXUED-OAHLLOKOSA-N 1 1 350.463 2.369 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c1 ZINC000273395105 550497107 /nfs/dbraw/zinc/49/71/07/550497107.db2.gz LVLLWVVMCLJYTP-AWEZNQCLSA-N 1 1 371.437 2.261 20 10 FECDMO CC(=O)N1CCN(c2ccc(CNc3[nH+]cnc4[nH]ccc43)cc2)CC1 ZINC000276382156 550578173 /nfs/dbraw/zinc/57/81/73/550578173.db2.gz ZFMUMGBIJQGHPF-UHFFFAOYSA-N 1 1 350.426 2.239 20 10 FECDMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000285358961 551743606 /nfs/dbraw/zinc/74/36/06/551743606.db2.gz YWHPBPLUKNZRJW-ZDUSSCGKSA-N 1 1 351.403 2.190 20 10 FECDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000285358961 551743607 /nfs/dbraw/zinc/74/36/07/551743607.db2.gz YWHPBPLUKNZRJW-ZDUSSCGKSA-N 1 1 351.403 2.190 20 10 FECDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)ccc1O ZINC000289271970 552293169 /nfs/dbraw/zinc/29/31/69/552293169.db2.gz GKXMTTJKMGAEBU-IUODEOHRSA-N 1 1 355.276 2.450 20 10 FECDMO COc1ccc(N2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)CC2)cc1 ZINC000294297219 552894846 /nfs/dbraw/zinc/89/48/46/552894846.db2.gz IGQXGCJYIVXYDE-UHFFFAOYSA-N 1 1 363.421 2.238 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000295694897 553045749 /nfs/dbraw/zinc/04/57/49/553045749.db2.gz IOODMVCEZAMGMC-IBGZPJMESA-N 1 1 366.527 2.311 20 10 FECDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000295694897 553045752 /nfs/dbraw/zinc/04/57/52/553045752.db2.gz IOODMVCEZAMGMC-IBGZPJMESA-N 1 1 366.527 2.311 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)OCC(F)(F)F)CC2)cc1 ZINC000299499807 553572278 /nfs/dbraw/zinc/57/22/78/553572278.db2.gz MBZVFTACAVPDIR-UHFFFAOYSA-N 1 1 361.364 2.106 20 10 FECDMO C[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890338 554893689 /nfs/dbraw/zinc/89/36/89/554893689.db2.gz XXOKMCOSGLIHBW-JQHSSLGASA-N 1 1 363.477 2.176 20 10 FECDMO C[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890338 554893692 /nfs/dbraw/zinc/89/36/92/554893692.db2.gz XXOKMCOSGLIHBW-JQHSSLGASA-N 1 1 363.477 2.176 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000361644563 554927614 /nfs/dbraw/zinc/92/76/14/554927614.db2.gz OHPWNUCPFFCLGN-QGZVFWFLSA-N 1 1 353.470 2.038 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000361644563 554927617 /nfs/dbraw/zinc/92/76/17/554927617.db2.gz OHPWNUCPFFCLGN-QGZVFWFLSA-N 1 1 353.470 2.038 20 10 FECDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(Cl)cc(C)c3O)C2)nn1 ZINC000363910285 555211817 /nfs/dbraw/zinc/21/18/17/555211817.db2.gz UYINFAILUHSLNQ-ZDUSSCGKSA-N 1 1 350.806 2.179 20 10 FECDMO CN(C)c1ccc(C2=CC[N@@H+]([C@H]3CCCN(c4ccn(C)n4)C3=O)C2)cc1 ZINC000364969920 555453117 /nfs/dbraw/zinc/45/31/17/555453117.db2.gz SXFROEQFKVLLSJ-IBGZPJMESA-N 1 1 365.481 2.381 20 10 FECDMO CN(C)c1ccc(C2=CC[N@H+]([C@H]3CCCN(c4ccn(C)n4)C3=O)C2)cc1 ZINC000364969920 555453119 /nfs/dbraw/zinc/45/31/19/555453119.db2.gz SXFROEQFKVLLSJ-IBGZPJMESA-N 1 1 365.481 2.381 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000368226619 556252989 /nfs/dbraw/zinc/25/29/89/556252989.db2.gz MABUQSQBJKKVLK-PBHICJAKSA-N 1 1 366.414 2.109 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000368226620 556253172 /nfs/dbraw/zinc/25/31/72/556253172.db2.gz MABUQSQBJKKVLK-RHSMWYFYSA-N 1 1 366.414 2.109 20 10 FECDMO O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368619622 556365283 /nfs/dbraw/zinc/36/52/83/556365283.db2.gz QPYNJMGCDNCRRS-STQMWFEESA-N 1 1 374.268 2.361 20 10 FECDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368619622 556365285 /nfs/dbraw/zinc/36/52/85/556365285.db2.gz QPYNJMGCDNCRRS-STQMWFEESA-N 1 1 374.268 2.361 20 10 FECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369050584 556489351 /nfs/dbraw/zinc/48/93/51/556489351.db2.gz IVVISHZWPMGLJX-OALUTQOASA-N 1 1 360.502 2.147 20 10 FECDMO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000369423512 556597068 /nfs/dbraw/zinc/59/70/68/556597068.db2.gz GJIDAJFVKWTTPZ-HNAYVOBHSA-N 1 1 371.485 2.350 20 10 FECDMO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)CN1C(=O)OC(C)(C)C ZINC000370489763 556888084 /nfs/dbraw/zinc/88/80/84/556888084.db2.gz COOWRYRFAAEDSN-GXTWGEPZSA-N 1 1 368.405 2.172 20 10 FECDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372312991 557437065 /nfs/dbraw/zinc/43/70/65/557437065.db2.gz GGPAUZYKXQICAK-HXUWFJFHSA-N 1 1 356.514 2.025 20 10 FECDMO Cn1cc([C@H]2[C@H](C[NH2+]Cc3c(O)ccc(Cl)c3F)CC(=O)N2C)cn1 ZINC000372773240 557559687 /nfs/dbraw/zinc/55/96/87/557559687.db2.gz QYSOKLLWSWSLBA-DYZYQPBXSA-N 1 1 366.824 2.227 20 10 FECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1=CCOCC1 ZINC000373534863 557712763 /nfs/dbraw/zinc/71/27/63/557712763.db2.gz DXVDCHIEUATLFY-MRXNPFEDSA-N 1 1 350.846 2.473 20 10 FECDMO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000373912489 557785859 /nfs/dbraw/zinc/78/58/59/557785859.db2.gz VKBGVVFTOUFJBV-SJKOYZFVSA-N 1 1 350.371 2.084 20 10 FECDMO COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000373912489 557785862 /nfs/dbraw/zinc/78/58/62/557785862.db2.gz VKBGVVFTOUFJBV-SJKOYZFVSA-N 1 1 350.371 2.084 20 10 FECDMO NC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1C(F)(F)F ZINC000375409934 558022690 /nfs/dbraw/zinc/02/26/90/558022690.db2.gz BNKOPAVVYWEETP-NXEZZACHSA-N 1 1 367.165 2.250 20 10 FECDMO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000375793502 558080549 /nfs/dbraw/zinc/08/05/49/558080549.db2.gz SXFRQCQOIABYBN-SNVBAGLBSA-N 1 1 362.854 2.231 20 10 FECDMO Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(C)n1-c1ccccn1 ZINC000377513578 558354759 /nfs/dbraw/zinc/35/47/59/558354759.db2.gz UQBNRBCXFPCXRV-IRXDYDNUSA-N 1 1 354.454 2.082 20 10 FECDMO COc1cc(O)c(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1OC ZINC000378345593 558534625 /nfs/dbraw/zinc/53/46/25/558534625.db2.gz LWTDXPFAWCRFLU-HNNXBMFYSA-N 1 1 363.502 2.010 20 10 FECDMO CC(C)NC(=O)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435606660 559926118 /nfs/dbraw/zinc/92/61/18/559926118.db2.gz JPBZTHWOGATOMR-UHFFFAOYSA-N 1 1 370.497 2.049 20 10 FECDMO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000809785281 674509867 /nfs/dbraw/zinc/50/98/67/674509867.db2.gz UVHFKLXXSBAAMO-GFCCVEGCSA-N 1 1 358.891 2.339 20 10 FECDMO CN(CCC[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC[NH+](C)C ZINC000809788887 674510281 /nfs/dbraw/zinc/51/02/81/674510281.db2.gz XEJKAAJLOGZAOC-UHFFFAOYSA-N 1 1 358.870 2.269 20 10 FECDMO COc1ccc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000826208985 608620432 /nfs/dbraw/zinc/62/04/32/608620432.db2.gz IPTAHIOUHGLQJF-UHFFFAOYSA-N 1 1 354.414 2.181 20 10 FECDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000826208985 608620435 /nfs/dbraw/zinc/62/04/35/608620435.db2.gz IPTAHIOUHGLQJF-UHFFFAOYSA-N 1 1 354.414 2.181 20 10 FECDMO Cc1cc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)ccc1N(C)C ZINC000815112647 674920861 /nfs/dbraw/zinc/92/08/61/674920861.db2.gz WURBEHMDJKLSLG-UHFFFAOYSA-N 1 1 351.516 2.061 20 10 FECDMO C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815574847 674959983 /nfs/dbraw/zinc/95/99/83/674959983.db2.gz DVFGQKMTUWIXCZ-GFCCVEGCSA-N 1 1 359.392 2.226 20 10 FECDMO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816558205 675065143 /nfs/dbraw/zinc/06/51/43/675065143.db2.gz QKJMDPIAYIFKJB-LBPRGKRZSA-N 1 1 350.843 2.416 20 10 FECDMO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816608791 675068133 /nfs/dbraw/zinc/06/81/33/675068133.db2.gz JQNVWORZJUGVFU-LLVKDONJSA-N 1 1 350.843 2.088 20 10 FECDMO CC(C)CC[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000052246338 670310554 /nfs/dbraw/zinc/31/05/54/670310554.db2.gz LCAQKAHGFPKPSQ-UHFFFAOYSA-N 1 1 351.466 2.256 20 10 FECDMO Cc1cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000121803205 671957530 /nfs/dbraw/zinc/95/75/30/671957530.db2.gz DNYNJEIDIGOXIL-UHFFFAOYSA-N 1 1 354.516 2.465 20 10 FECDMO C[C@@H]1C[N@H+](CCCNC(=O)NCCCSc2nccs2)C[C@H](C)O1 ZINC000151944798 672172448 /nfs/dbraw/zinc/17/24/48/672172448.db2.gz JDVFJBQSHBRYFG-OKILXGFUSA-N 1 1 372.560 2.424 20 10 FECDMO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(F)cc1O ZINC000185161255 672521479 /nfs/dbraw/zinc/52/14/79/672521479.db2.gz XRAMLZPWUNPNHT-ZDUSSCGKSA-N 1 1 352.431 2.302 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(Cl)c[nH]3)CC2)cc1 ZINC000742926890 673742336 /nfs/dbraw/zinc/74/23/36/673742336.db2.gz DYABDOSHJTTYGG-UHFFFAOYSA-N 1 1 362.861 2.229 20 10 FECDMO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066096 675410940 /nfs/dbraw/zinc/41/09/40/675410940.db2.gz VHNMEVPZJMPWNO-RHSMWYFYSA-N 1 1 365.905 2.468 20 10 FECDMO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066096 675410941 /nfs/dbraw/zinc/41/09/41/675410941.db2.gz VHNMEVPZJMPWNO-RHSMWYFYSA-N 1 1 365.905 2.468 20 10 FECDMO CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825114963 675637363 /nfs/dbraw/zinc/63/73/63/675637363.db2.gz XLBAGQWWPFXGFN-CYBMUJFWSA-N 1 1 356.308 2.270 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000825124681 675637778 /nfs/dbraw/zinc/63/77/78/675637778.db2.gz WAFBPIBWTWOIIQ-TVQRCGJNSA-N 1 1 350.293 2.054 20 10 FECDMO Cc1cc(O)c(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)cc1Cl ZINC000825629655 675661660 /nfs/dbraw/zinc/66/16/60/675661660.db2.gz ZQCFNNBGFJWDTC-UHFFFAOYSA-N 1 1 372.918 2.049 20 10 FECDMO CCn1nccc1C[N@H+](CCO)Cc1ccc(Br)cc1O ZINC000825745090 675666854 /nfs/dbraw/zinc/66/68/54/675666854.db2.gz VSRSQONEFPALFU-UHFFFAOYSA-N 1 1 354.248 2.366 20 10 FECDMO CCn1nccc1C[N@@H+](CCO)Cc1ccc(Br)cc1O ZINC000825745090 675666857 /nfs/dbraw/zinc/66/68/57/675666857.db2.gz VSRSQONEFPALFU-UHFFFAOYSA-N 1 1 354.248 2.366 20 10 FECDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(Br)cc1O ZINC000825885454 675672788 /nfs/dbraw/zinc/67/27/88/675672788.db2.gz GRCNAXRJIWDXOR-SWLSCSKDSA-N 1 1 355.276 2.450 20 10 FECDMO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000830544383 677046322 /nfs/dbraw/zinc/04/63/22/677046322.db2.gz KDCYIMGEDVIELZ-RUZDIDTESA-N 1 1 366.527 2.337 20 10 FECDMO Cn1ncc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1Cl ZINC000839145152 680741521 /nfs/dbraw/zinc/74/15/21/680741521.db2.gz MHFCCISVUMIYSX-UHFFFAOYSA-N 1 1 356.804 2.478 20 10 FECDMO C[C@H](C1=CC[N@@H+](C)CC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762314655 680747333 /nfs/dbraw/zinc/74/73/33/680747333.db2.gz DKKFRPPSARFMGI-GFCCVEGCSA-N 1 1 363.845 2.460 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=S)NC3(C)CCC3)CC2)cc1 ZINC000840722272 680839597 /nfs/dbraw/zinc/83/95/97/680839597.db2.gz HLHZCVHAADORRC-UHFFFAOYSA-N 1 1 362.543 2.224 20 10 FECDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000765514466 680844682 /nfs/dbraw/zinc/84/46/82/680844682.db2.gz LUKJVXSAPLFUML-GFCCVEGCSA-N 1 1 356.264 2.438 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000835025421 680286923 /nfs/dbraw/zinc/28/69/23/680286923.db2.gz UOQUFSVORIPAHE-UKINESCASA-N 1 1 351.516 2.027 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000835054146 680291305 /nfs/dbraw/zinc/29/13/05/680291305.db2.gz NRKZFOATXVEOJH-MTGFJVSHSA-N 1 1 363.527 2.266 20 10 FECDMO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(Br)c(F)cc1O ZINC000756769012 680497160 /nfs/dbraw/zinc/49/71/60/680497160.db2.gz HOFCHEDDXZAYOH-YUMQZZPRSA-N 1 1 354.241 2.378 20 10 FECDMO Nc1ccc(CCNC(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000841956812 680918950 /nfs/dbraw/zinc/91/89/50/680918950.db2.gz JJSGYERMJDDSBR-UHFFFAOYSA-N 1 1 358.511 2.443 20 10 FECDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000842643795 680956750 /nfs/dbraw/zinc/95/67/50/680956750.db2.gz OXWFNCYRCBSSDO-MRXNPFEDSA-N 1 1 353.344 2.441 20 10 FECDMO Cc1nonc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771058360 681039754 /nfs/dbraw/zinc/03/97/54/681039754.db2.gz MWUBHZSUOJUYGW-CYBMUJFWSA-N 1 1 350.806 2.131 20 10 FECDMO Cc1nonc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771058360 681039757 /nfs/dbraw/zinc/03/97/57/681039757.db2.gz MWUBHZSUOJUYGW-CYBMUJFWSA-N 1 1 350.806 2.131 20 10 FECDMO Cc1nonc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000845833697 681155873 /nfs/dbraw/zinc/15/58/73/681155873.db2.gz MOKUWOKWIQBIBP-CQSZACIVSA-N 1 1 364.833 2.060 20 10 FECDMO CC(C)NS(=O)(=O)NCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774383394 681182380 /nfs/dbraw/zinc/18/23/80/681182380.db2.gz YJUYGUXGZOGSAO-SECBINFHSA-N 1 1 370.302 2.182 20 10 FECDMO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000846191923 681197544 /nfs/dbraw/zinc/19/75/44/681197544.db2.gz ZWAWVABJBBZEKY-NXEZZACHSA-N 1 1 352.378 2.096 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)c1 ZINC000850485146 681906673 /nfs/dbraw/zinc/90/66/73/681906673.db2.gz BRXXJWORRDIVTQ-LBPRGKRZSA-N 1 1 355.456 2.044 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000781906925 681987578 /nfs/dbraw/zinc/98/75/78/681987578.db2.gz ABMKBQTZJDXXGK-NSHDSACASA-N 1 1 362.289 2.330 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000781906925 681987582 /nfs/dbraw/zinc/98/75/82/681987582.db2.gz ABMKBQTZJDXXGK-NSHDSACASA-N 1 1 362.289 2.330 20 10 FECDMO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000788666580 682548416 /nfs/dbraw/zinc/54/84/16/682548416.db2.gz RHWXQXBBXKFGGR-JTQLQIEISA-N 1 1 355.378 2.123 20 10 FECDMO O=C(NCC[N@@H+]1CC=CCC1)NCc1ccc(N2CCSCC2)cc1 ZINC000792864091 682844744 /nfs/dbraw/zinc/84/47/44/682844744.db2.gz AYBFDRDUHJNDJQ-UHFFFAOYSA-N 1 1 360.527 2.301 20 10 FECDMO CC[N@@H+](CCNC(=O)NCc1ccc(OC)cc1O)CCC(F)(F)F ZINC000793188805 682870538 /nfs/dbraw/zinc/87/05/38/682870538.db2.gz HYZVLDSCEMTULX-UHFFFAOYSA-N 1 1 363.380 2.474 20 10 FECDMO COC(=O)[C@]12C[N@H+](Cc3cccc(Br)c3O)C[C@H]1COCC2 ZINC000793346073 682883567 /nfs/dbraw/zinc/88/35/67/682883567.db2.gz AMKPTFVVKZOSEG-BLLLJJGKSA-N 1 1 370.243 2.166 20 10 FECDMO COC(=O)[C@]12C[N@@H+](Cc3cccc(Br)c3O)C[C@H]1COCC2 ZINC000793346073 682883569 /nfs/dbraw/zinc/88/35/69/682883569.db2.gz AMKPTFVVKZOSEG-BLLLJJGKSA-N 1 1 370.243 2.166 20 10 FECDMO CC(=O)N1CCN(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000798180812 683318134 /nfs/dbraw/zinc/31/81/34/683318134.db2.gz MLHSCGBQOALRPG-GFCCVEGCSA-N 1 1 359.392 2.226 20 10 FECDMO CN(C)[C@H](CC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(F)(F)F ZINC000922752108 683777613 /nfs/dbraw/zinc/77/76/13/683777613.db2.gz LTJASWQJRLRVLY-QGZVFWFLSA-N 1 1 358.452 2.411 20 10 FECDMO CC[N@H+](Cc1ccc(S(N)(=O)=O)s1)Cc1ccc(N(C)C)cc1 ZINC000876521918 686214881 /nfs/dbraw/zinc/21/48/81/686214881.db2.gz BOTKVGGDTFJEHN-UHFFFAOYSA-N 1 1 353.513 2.484 20 10 FECDMO CC[N@@H+](Cc1ccc(S(N)(=O)=O)s1)Cc1ccc(N(C)C)cc1 ZINC000876521918 686214882 /nfs/dbraw/zinc/21/48/82/686214882.db2.gz BOTKVGGDTFJEHN-UHFFFAOYSA-N 1 1 353.513 2.484 20 10 FECDMO CC(C)[N@@H+](Cc1ccc(S(N)(=O)=O)o1)Cc1ccc(N(C)C)cc1 ZINC000876584894 686224609 /nfs/dbraw/zinc/22/46/09/686224609.db2.gz RWEJJALFBSIQIX-UHFFFAOYSA-N 1 1 351.472 2.404 20 10 FECDMO OC[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(F)(F)F ZINC000877693748 686438191 /nfs/dbraw/zinc/43/81/91/686438191.db2.gz PMBPYXKBMWHTMA-UONOGXRCSA-N 1 1 362.367 2.265 20 10 FECDMO O=S(=O)(N1CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1)C(F)(F)F ZINC000883037029 687551711 /nfs/dbraw/zinc/55/17/11/687551711.db2.gz HAULQOWZMHAXQW-UHFFFAOYSA-N 1 1 374.331 2.074 20 10 FECDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897494929 690030839 /nfs/dbraw/zinc/03/08/39/690030839.db2.gz UGILDFPUNLBRSF-LLVKDONJSA-N 1 1 364.467 2.230 20 10 FECDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897494929 690030844 /nfs/dbraw/zinc/03/08/44/690030844.db2.gz UGILDFPUNLBRSF-LLVKDONJSA-N 1 1 364.467 2.230 20 10 FECDMO COC(=O)c1cc(C2C[NH+](Cc3cc(Br)ccc3O)C2)[nH]n1 ZINC000898005085 690114528 /nfs/dbraw/zinc/11/45/28/690114528.db2.gz TWIOOWLFBHFLFE-UHFFFAOYSA-N 1 1 366.215 2.264 20 10 FECDMO C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cccc(C(F)(F)F)c1O ZINC000903429143 690892952 /nfs/dbraw/zinc/89/29/52/690892952.db2.gz OCUNFDHYHXEGSM-JTQLQIEISA-N 1 1 357.332 2.414 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cc1OC ZINC000905700052 691164678 /nfs/dbraw/zinc/16/46/78/691164678.db2.gz DGJWBUMCHZIRJR-SCLBCKFNSA-N 1 1 350.415 2.120 20 10 FECDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000066203300 541290321 /nfs/dbraw/zinc/29/03/21/541290321.db2.gz BIAUNKRRKUMHTE-KRWDZBQOSA-N 1 1 362.518 2.395 20 10 FECDMO C[C@@H]1CN(C(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C[C@H](C)O1 ZINC000072952800 541895651 /nfs/dbraw/zinc/89/56/51/541895651.db2.gz VXCYUQRZGXACIV-JZXOWHBKSA-N 1 1 362.470 2.009 20 10 FECDMO C[C@@H]1CN(C(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000072952802 541895671 /nfs/dbraw/zinc/89/56/71/541895671.db2.gz VXCYUQRZGXACIV-NUJGCVRESA-N 1 1 362.470 2.009 20 10 FECDMO CCCOc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)c(O)c1 ZINC000091898176 542831376 /nfs/dbraw/zinc/83/13/76/542831376.db2.gz JZFGHNDSEWCRKG-INIZCTEOSA-N 1 1 356.488 2.083 20 10 FECDMO CCCOc1ccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000091963952 542834245 /nfs/dbraw/zinc/83/42/45/542834245.db2.gz SCLLXPMSCGQEDB-UHFFFAOYSA-N 1 1 356.488 2.037 20 10 FECDMO CCC[N@@H+](Cc1cnc(N2CCN(C)CC2)nc1)Cc1ccccc1O ZINC000092705013 542882490 /nfs/dbraw/zinc/88/24/90/542882490.db2.gz SQBSLNFNVBRGCZ-UHFFFAOYSA-N 1 1 355.486 2.346 20 10 FECDMO c1cnc(N2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)CC2)nc1 ZINC000093056512 542906052 /nfs/dbraw/zinc/90/60/52/542906052.db2.gz IZGOIIFDIVLEBX-UHFFFAOYSA-N 1 1 353.470 2.026 20 10 FECDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093134096 542910680 /nfs/dbraw/zinc/91/06/80/542910680.db2.gz UMXLBTXESUBOKG-GOSISDBHSA-N 1 1 367.497 2.441 20 10 FECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCCN1c1cccnn1 ZINC000120376903 543679498 /nfs/dbraw/zinc/67/94/98/543679498.db2.gz MNZDZEQXMGJIAC-HXUWFJFHSA-N 1 1 367.497 2.414 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H](C)c3ccncc3)CC2)cc1 ZINC000127497670 543997112 /nfs/dbraw/zinc/99/71/12/543997112.db2.gz DLJJDRNMMZGQAC-QGZVFWFLSA-N 1 1 368.481 2.432 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@H](C)c3ccncc3)CC2)cc1 ZINC000127497670 543997114 /nfs/dbraw/zinc/99/71/14/543997114.db2.gz DLJJDRNMMZGQAC-QGZVFWFLSA-N 1 1 368.481 2.432 20 10 FECDMO CN1CCCc2cc(CNC(=O)N3CCC([N@@H+](C)CCCO)CC3)ccc21 ZINC000154293398 544887006 /nfs/dbraw/zinc/88/70/06/544887006.db2.gz HIOJWKZGKLTFLT-UHFFFAOYSA-N 1 1 374.529 2.057 20 10 FECDMO C[N@@H+](CC(=O)NCc1cc(Br)ccc1O)[C@H]1CCSC1 ZINC000804737428 674299427 /nfs/dbraw/zinc/29/94/27/674299427.db2.gz QUVYJZZQSQYRSV-LBPRGKRZSA-N 1 1 359.289 2.208 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000179859691 547022033 /nfs/dbraw/zinc/02/20/33/547022033.db2.gz ACYXHKRKNQRQQJ-INMHGKMJSA-N 1 1 364.486 2.483 20 10 FECDMO C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cc(Br)ccc1O ZINC000185391587 547978370 /nfs/dbraw/zinc/97/83/70/547978370.db2.gz IPKQGWXNBDDRKF-QWHCGFSZSA-N 1 1 356.308 2.441 20 10 FECDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000190849960 548335128 /nfs/dbraw/zinc/33/51/28/548335128.db2.gz CZCFYPLYOIXUFT-INIZCTEOSA-N 1 1 360.882 2.482 20 10 FECDMO COCC[N@H+]1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000265734153 550013563 /nfs/dbraw/zinc/01/35/63/550013563.db2.gz LGFZSKTWHZEBRU-KRWDZBQOSA-N 1 1 360.502 2.147 20 10 FECDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000268165381 550037007 /nfs/dbraw/zinc/03/70/07/550037007.db2.gz PMNWRBWZVQYLPU-JXFKEZNVSA-N 1 1 372.513 2.147 20 10 FECDMO CCCOc1ccc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)c(O)c1 ZINC000271162403 550347036 /nfs/dbraw/zinc/34/70/36/550347036.db2.gz YAWMTUHPVXJRMW-KRWDZBQOSA-N 1 1 355.475 2.415 20 10 FECDMO CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000273374675 550496251 /nfs/dbraw/zinc/49/62/51/550496251.db2.gz GXMGKOVWXJXUED-HNNXBMFYSA-N 1 1 350.463 2.369 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c1 ZINC000274799235 550555335 /nfs/dbraw/zinc/55/53/35/550555335.db2.gz UNTKYSJZYOZZND-AWEZNQCLSA-N 1 1 371.437 2.261 20 10 FECDMO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@]12CCCO2 ZINC000278106197 550749890 /nfs/dbraw/zinc/74/98/90/550749890.db2.gz ARWLRXZHPWQYDN-JJRVBVJISA-N 1 1 352.387 2.125 20 10 FECDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278184012 550758621 /nfs/dbraw/zinc/75/86/21/550758621.db2.gz HIHMZYMJYZAGDK-ZDUSSCGKSA-N 1 1 365.430 2.437 20 10 FECDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278184012 550758623 /nfs/dbraw/zinc/75/86/23/550758623.db2.gz HIHMZYMJYZAGDK-ZDUSSCGKSA-N 1 1 365.430 2.437 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000284350590 551530253 /nfs/dbraw/zinc/53/02/53/551530253.db2.gz QBWDIEHJGRLYBN-MSOLQXFVSA-N 1 1 373.497 2.264 20 10 FECDMO CCCOc1ccc(C[N@H+]2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c(O)c1 ZINC000285521201 551769174 /nfs/dbraw/zinc/76/91/74/551769174.db2.gz OKIOWUXGHGOXDC-IBGZPJMESA-N 1 1 360.458 2.447 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1)cc2=O ZINC000289859976 552390485 /nfs/dbraw/zinc/39/04/85/552390485.db2.gz QRHGRLBDHHPQIG-HOCLYGCPSA-N 1 1 374.441 2.001 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1)cc2=O ZINC000289859976 552390487 /nfs/dbraw/zinc/39/04/87/552390487.db2.gz QRHGRLBDHHPQIG-HOCLYGCPSA-N 1 1 374.441 2.001 20 10 FECDMO Oc1ccccc1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@H]1CCCO1 ZINC000293013114 552780357 /nfs/dbraw/zinc/78/03/57/552780357.db2.gz UPMXMQBXOURLDM-LSDHHAIUSA-N 1 1 363.376 2.313 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cc1OC ZINC000293579991 552837411 /nfs/dbraw/zinc/83/74/11/552837411.db2.gz HQTDPNDXPATCFI-QGZVFWFLSA-N 1 1 370.449 2.343 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+]3CC[C@@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000295202937 552969729 /nfs/dbraw/zinc/96/97/29/552969729.db2.gz NOHBLWOQSSYHEE-QGZVFWFLSA-N 1 1 366.527 2.168 20 10 FECDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000295202937 552969730 /nfs/dbraw/zinc/96/97/30/552969730.db2.gz NOHBLWOQSSYHEE-QGZVFWFLSA-N 1 1 366.527 2.168 20 10 FECDMO CNC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000295560898 553026620 /nfs/dbraw/zinc/02/66/20/553026620.db2.gz ZCAGXZVQNNNZLW-GOSISDBHSA-N 1 1 359.495 2.331 20 10 FECDMO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)CCO1 ZINC000295560898 553026621 /nfs/dbraw/zinc/02/66/21/553026621.db2.gz ZCAGXZVQNNNZLW-GOSISDBHSA-N 1 1 359.495 2.331 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3nccs3)CC2)cc1 ZINC000299489549 553570621 /nfs/dbraw/zinc/57/06/21/553570621.db2.gz FOSLUXJZGQQYIF-UHFFFAOYSA-N 1 1 361.471 2.095 20 10 FECDMO Cc1nccc(CN2CCC[C@@H]([NH2+][C@H](C)c3ccc(F)cc3O)C2=O)n1 ZINC000366683203 555907708 /nfs/dbraw/zinc/90/77/08/555907708.db2.gz KECZLZVLRXMDNL-SJKOYZFVSA-N 1 1 358.417 2.472 20 10 FECDMO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCc2[nH+]ccn21 ZINC000368674509 556382214 /nfs/dbraw/zinc/38/22/14/556382214.db2.gz AABYUMSKNQOXFB-KRWDZBQOSA-N 1 1 358.417 2.053 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@H]2CCCN(c3ncccn3)C2)ccc1[N+](=O)[O-] ZINC000370094118 556779312 /nfs/dbraw/zinc/77/93/12/556779312.db2.gz WTPKFAIVKOZMCB-CYBMUJFWSA-N 1 1 373.413 2.105 20 10 FECDMO COc1ccc(O)c([C@H](C)[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)c1 ZINC000372713609 557544664 /nfs/dbraw/zinc/54/46/64/557544664.db2.gz JQRUXBWBTHHUDH-AWEZNQCLSA-N 1 1 370.453 2.168 20 10 FECDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1ccc2c(c1)CCN2C ZINC000373259127 557660673 /nfs/dbraw/zinc/66/06/73/557660673.db2.gz HVPZWUYVSIPWOX-MRXNPFEDSA-N 1 1 372.513 2.074 20 10 FECDMO COc1ccc(N2CCC[N@@H+](C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000375326661 558009602 /nfs/dbraw/zinc/00/96/02/558009602.db2.gz LLBZPJMDQDBWET-INIZCTEOSA-N 1 1 352.500 2.032 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c(O)c1 ZINC000376748488 558216511 /nfs/dbraw/zinc/21/65/11/558216511.db2.gz BDXJRROVCCHMKQ-UHFFFAOYSA-N 1 1 368.499 2.181 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCN(C(=O)c3ccoc3)CC2)cc1OC ZINC000378442198 558558060 /nfs/dbraw/zinc/55/80/60/558558060.db2.gz JDEIZCICRMNJIE-UHFFFAOYSA-N 1 1 360.410 2.351 20 10 FECDMO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3cccc(F)c3O)CC2)C[C@@H](C)O1 ZINC000378498470 558570106 /nfs/dbraw/zinc/57/01/06/558570106.db2.gz SIVTWOQGWOYMRM-ZIAGYGMSSA-N 1 1 350.434 2.379 20 10 FECDMO CCN1CC[NH+](CCC(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)CC1 ZINC000378546996 558580420 /nfs/dbraw/zinc/58/04/20/558580420.db2.gz XHXSJLUXRYZHPX-UHFFFAOYSA-N 1 1 356.514 2.006 20 10 FECDMO C[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)Cc1ccccc1O ZINC000736788818 598617988 /nfs/dbraw/zinc/61/79/88/598617988.db2.gz XIAWQGDHDOCIHC-UHFFFAOYSA-N 1 1 372.816 2.296 20 10 FECDMO C[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)Cc1ccccc1O ZINC000736788818 598617990 /nfs/dbraw/zinc/61/79/90/598617990.db2.gz XIAWQGDHDOCIHC-UHFFFAOYSA-N 1 1 372.816 2.296 20 10 FECDMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)Cc1ccccc1O ZINC000736787046 598702105 /nfs/dbraw/zinc/70/21/05/598702105.db2.gz DXYQZRVSGVXBEG-UHFFFAOYSA-N 1 1 372.816 2.296 20 10 FECDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)Cc1ccccc1O ZINC000736787046 598702107 /nfs/dbraw/zinc/70/21/07/598702107.db2.gz DXYQZRVSGVXBEG-UHFFFAOYSA-N 1 1 372.816 2.296 20 10 FECDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2cccc(OC)c2O)CC1 ZINC000809784299 674509950 /nfs/dbraw/zinc/50/99/50/674509950.db2.gz FCQOJGOAMMZRML-CQSZACIVSA-N 1 1 370.515 2.283 20 10 FECDMO CCn1nncc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000815835432 674976472 /nfs/dbraw/zinc/97/64/72/674976472.db2.gz TVQJSBIRJDIOAB-CQSZACIVSA-N 1 1 363.849 2.051 20 10 FECDMO CCn1nncc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000815835432 674976475 /nfs/dbraw/zinc/97/64/75/674976475.db2.gz TVQJSBIRJDIOAB-CQSZACIVSA-N 1 1 363.849 2.051 20 10 FECDMO CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816546417 675063913 /nfs/dbraw/zinc/06/39/13/675063913.db2.gz JOWUFRGTDIZQBB-UHFFFAOYSA-N 1 1 357.857 2.217 20 10 FECDMO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816609080 675068321 /nfs/dbraw/zinc/06/83/21/675068321.db2.gz RBYZYUWCUXTENP-YGRLFVJLSA-N 1 1 364.870 2.382 20 10 FECDMO C[N@H+](CCCO)C1CCN(Cc2cccc(Br)c2O)CC1 ZINC000093412864 670753326 /nfs/dbraw/zinc/75/33/26/670753326.db2.gz JEUKBRBUSYMREK-UHFFFAOYSA-N 1 1 357.292 2.433 20 10 FECDMO C[N@@H+](CCCO)C1CCN(Cc2cccc(Br)c2O)CC1 ZINC000093412864 670753329 /nfs/dbraw/zinc/75/33/29/670753329.db2.gz JEUKBRBUSYMREK-UHFFFAOYSA-N 1 1 357.292 2.433 20 10 FECDMO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1O ZINC000186158675 672542963 /nfs/dbraw/zinc/54/29/63/672542963.db2.gz PSHJUAJCTQZUNM-JQWIXIFHSA-N 1 1 359.444 2.078 20 10 FECDMO CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708516750 673066228 /nfs/dbraw/zinc/06/62/28/673066228.db2.gz LBPMEEXVCUWBQH-CYBMUJFWSA-N 1 1 358.385 2.396 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)c1O ZINC000824576144 675611519 /nfs/dbraw/zinc/61/15/19/675611519.db2.gz AXOSDGNCAMSSAT-LBPRGKRZSA-N 1 1 373.247 2.436 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)c1O ZINC000824576144 675611521 /nfs/dbraw/zinc/61/15/21/675611521.db2.gz AXOSDGNCAMSSAT-LBPRGKRZSA-N 1 1 373.247 2.436 20 10 FECDMO COc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)on1 ZINC000764258235 680804540 /nfs/dbraw/zinc/80/45/40/680804540.db2.gz WTMHCNYPIQOSOU-ZDUSSCGKSA-N 1 1 365.817 2.437 20 10 FECDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)on1 ZINC000764258235 680804543 /nfs/dbraw/zinc/80/45/43/680804543.db2.gz WTMHCNYPIQOSOU-ZDUSSCGKSA-N 1 1 365.817 2.437 20 10 FECDMO C[C@H]1C[N@@H+](CCCNC(=O)NCCCSc2nccs2)CCCO1 ZINC000764460646 680810179 /nfs/dbraw/zinc/81/01/79/680810179.db2.gz FNBAHCSZTOHDEM-AWEZNQCLSA-N 1 1 372.560 2.425 20 10 FECDMO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000834877419 680279258 /nfs/dbraw/zinc/27/92/58/680279258.db2.gz DDGZECNCORUHFR-ZJUUUORDSA-N 1 1 354.394 2.389 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000835054154 680291528 /nfs/dbraw/zinc/29/15/28/680291528.db2.gz NRKZFOATXVEOJH-ORUDLHBZSA-N 1 1 363.527 2.266 20 10 FECDMO CCCN(CCC)S(=O)(=O)N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000754155648 680340772 /nfs/dbraw/zinc/34/07/72/680340772.db2.gz YQIWVCXWPDVHAB-UHFFFAOYSA-N 1 1 369.531 2.185 20 10 FECDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000754725830 680373622 /nfs/dbraw/zinc/37/36/22/680373622.db2.gz BBFREFOQOPOCSJ-OAHLLOKOSA-N 1 1 370.515 2.212 20 10 FECDMO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Br)c(F)cc1O ZINC000756613039 680488855 /nfs/dbraw/zinc/48/88/55/680488855.db2.gz NHLXGUPMRLAWIJ-RMLUDKJBSA-N 1 1 358.211 2.412 20 10 FECDMO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1cc(F)cc(F)c1O ZINC000756840228 680501038 /nfs/dbraw/zinc/50/10/38/680501038.db2.gz URYNHYBFDIUHIA-YHAQOWFVSA-N 1 1 350.369 2.249 20 10 FECDMO COc1ccc(N2CCCN(C(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)cc1 ZINC000758002320 680549222 /nfs/dbraw/zinc/54/92/22/680549222.db2.gz GESOMFNVHJMVLM-QGZVFWFLSA-N 1 1 363.527 2.171 20 10 FECDMO COC(=O)C[C@@]1([NH2+]Cc2cc(C)cc(Br)c2O)CCOC1 ZINC000766465984 680877960 /nfs/dbraw/zinc/87/79/60/680877960.db2.gz DVYKVYOSBMASST-HNNXBMFYSA-N 1 1 358.232 2.275 20 10 FECDMO COC(=O)C[C@]1([NH2+]Cc2cc(C)cc(Br)c2O)CCOC1 ZINC000766465991 680877975 /nfs/dbraw/zinc/87/79/75/680877975.db2.gz DVYKVYOSBMASST-OAHLLOKOSA-N 1 1 358.232 2.275 20 10 FECDMO Fc1cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)ccc1N1CCOCC1 ZINC000769307026 680977295 /nfs/dbraw/zinc/97/72/95/680977295.db2.gz YVAJYXNGMPMILJ-MRXNPFEDSA-N 1 1 350.434 2.247 20 10 FECDMO COc1c(O)c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000774908737 681249376 /nfs/dbraw/zinc/24/93/76/681249376.db2.gz JRRDFHKLXBAWPX-CQSZACIVSA-N 1 1 352.387 2.079 20 10 FECDMO CCN(Cc1cc(Br)ccc1O)C(=O)CC(F)(F)C[NH3+] ZINC000846672199 681274519 /nfs/dbraw/zinc/27/45/19/681274519.db2.gz LGKFSJXGFUTRPV-UHFFFAOYSA-N 1 1 351.191 2.487 20 10 FECDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000917025815 685529133 /nfs/dbraw/zinc/52/91/33/685529133.db2.gz PXAPVHJSAFNJIG-OAHLLOKOSA-N 1 1 351.466 2.255 20 10 FECDMO [O-]c1cccc(Br)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000858132648 682936584 /nfs/dbraw/zinc/93/65/84/682936584.db2.gz APKGBAOAPWPQQA-CYBMUJFWSA-N 1 1 357.292 2.481 20 10 FECDMO [O-]c1cccc(Br)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000858132648 682936588 /nfs/dbraw/zinc/93/65/88/682936588.db2.gz APKGBAOAPWPQQA-CYBMUJFWSA-N 1 1 357.292 2.481 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)CCCSC)CC2)cc1 ZINC000799199174 683435429 /nfs/dbraw/zinc/43/54/29/683435429.db2.gz RUUUTKXTGBNZOE-UHFFFAOYSA-N 1 1 351.516 2.029 20 10 FECDMO c1ncc(CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)s1 ZINC000931356380 684266680 /nfs/dbraw/zinc/26/66/80/684266680.db2.gz IPFLKXMEOVJXHC-UHFFFAOYSA-N 1 1 358.511 2.298 20 10 FECDMO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C)[S@@]1=O ZINC000877517814 686398331 /nfs/dbraw/zinc/39/83/31/686398331.db2.gz QMGAFSASIZAJCJ-JLCUDIMXSA-N 1 1 350.528 2.379 20 10 FECDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C)[S@@]1=O ZINC000877517814 686398336 /nfs/dbraw/zinc/39/83/36/686398336.db2.gz QMGAFSASIZAJCJ-JLCUDIMXSA-N 1 1 350.528 2.379 20 10 FECDMO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)[S@]1=O ZINC000877517805 686398691 /nfs/dbraw/zinc/39/86/91/686398691.db2.gz QMGAFSASIZAJCJ-OFJJYEOVSA-N 1 1 350.528 2.379 20 10 FECDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)[S@]1=O ZINC000877517805 686398700 /nfs/dbraw/zinc/39/87/00/686398700.db2.gz QMGAFSASIZAJCJ-OFJJYEOVSA-N 1 1 350.528 2.379 20 10 FECDMO COc1ccc(N2CC[NH+](CCn3c(C)csc3=O)CC2)c(OC)c1 ZINC000879462412 686827232 /nfs/dbraw/zinc/82/72/32/686827232.db2.gz NZSJQSHFYYJAMU-UHFFFAOYSA-N 1 1 363.483 2.058 20 10 FECDMO CCNC(=O)COc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882904598 687526440 /nfs/dbraw/zinc/52/64/40/687526440.db2.gz DXJSPBGKYVASAH-UHFFFAOYSA-N 1 1 350.365 2.475 20 10 FECDMO CCN(Cc1cc(Br)ccc1O)C(=O)c1ncoc1C[NH3+] ZINC000884169245 687806812 /nfs/dbraw/zinc/80/68/12/687806812.db2.gz ZBCNSMPNPQZCDL-UHFFFAOYSA-N 1 1 354.204 2.264 20 10 FECDMO COC(=O)[C@H]1[C@@H](C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000893910909 689427517 /nfs/dbraw/zinc/42/75/17/689427517.db2.gz QDAGRRJTPATOMD-HZPDHXFCSA-N 1 1 354.397 2.009 20 10 FECDMO COC(=O)N[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000895851227 689781070 /nfs/dbraw/zinc/78/10/70/689781070.db2.gz USZACHWEQFRIAG-NSHDSACASA-N 1 1 359.220 2.094 20 10 FECDMO COC(=O)N[C@H]1CC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000895851227 689781077 /nfs/dbraw/zinc/78/10/77/689781077.db2.gz USZACHWEQFRIAG-NSHDSACASA-N 1 1 359.220 2.094 20 10 FECDMO CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000896979497 689957915 /nfs/dbraw/zinc/95/79/15/689957915.db2.gz YGIBLHMFQJPHBH-GOSISDBHSA-N 1 1 354.422 2.383 20 10 FECDMO COC[C@@H]1CC[C@@H]([C@H]2COCC[N@@H+]2Cc2cc(C)cc(OC)c2O)O1 ZINC000902537578 690775821 /nfs/dbraw/zinc/77/58/21/690775821.db2.gz NTBXEMUIXFTEQB-BBWFWOEESA-N 1 1 351.443 2.104 20 10 FECDMO COC[C@@H]1CC[C@@H]([C@H]2COCC[N@H+]2Cc2cc(C)cc(OC)c2O)O1 ZINC000902537578 690775823 /nfs/dbraw/zinc/77/58/23/690775823.db2.gz NTBXEMUIXFTEQB-BBWFWOEESA-N 1 1 351.443 2.104 20 10 FECDMO C[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1O)C(=O)NCCF ZINC000800498322 674057402 /nfs/dbraw/zinc/05/74/02/674057402.db2.gz HITHUPMZILYOIM-HTQZYQBOSA-N 1 1 351.191 2.419 20 10 FECDMO C[C@H]1CN(C(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C[C@H](C)O1 ZINC000072952801 541895761 /nfs/dbraw/zinc/89/57/61/541895761.db2.gz VXCYUQRZGXACIV-BQFCYCMXSA-N 1 1 362.470 2.009 20 10 FECDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000801511147 674132727 /nfs/dbraw/zinc/13/27/27/674132727.db2.gz PRNGQIJUOKZSGA-QGZVFWFLSA-N 1 1 353.532 2.245 20 10 FECDMO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081557850 542664800 /nfs/dbraw/zinc/66/48/00/542664800.db2.gz YATGWNDOJMLZEL-SJORKVTESA-N 1 1 361.461 2.153 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1 ZINC000090657766 542787706 /nfs/dbraw/zinc/78/77/06/542787706.db2.gz CBKPJVLOQUFEAE-RTBURBONSA-N 1 1 360.502 2.147 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1 ZINC000090657766 542787708 /nfs/dbraw/zinc/78/77/08/542787708.db2.gz CBKPJVLOQUFEAE-RTBURBONSA-N 1 1 360.502 2.147 20 10 FECDMO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1O ZINC000093416678 542930650 /nfs/dbraw/zinc/93/06/50/542930650.db2.gz YOEZMXWJZOCLHY-SNVBAGLBSA-N 1 1 350.278 2.410 20 10 FECDMO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000093416678 542930651 /nfs/dbraw/zinc/93/06/51/542930651.db2.gz YOEZMXWJZOCLHY-SNVBAGLBSA-N 1 1 350.278 2.410 20 10 FECDMO C[C@@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)[N@@H+](C)C1CC1 ZINC000105162971 543162719 /nfs/dbraw/zinc/16/27/19/543162719.db2.gz GGMNXVXOVVRHSB-INIZCTEOSA-N 1 1 374.529 2.177 20 10 FECDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000111475927 543403072 /nfs/dbraw/zinc/40/30/72/543403072.db2.gz IXXBESFFGZXICA-IBGZPJMESA-N 1 1 360.502 2.197 20 10 FECDMO COc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)c1O ZINC000124716377 543838331 /nfs/dbraw/zinc/83/83/31/543838331.db2.gz XWMOEUXJVAABMJ-UHFFFAOYSA-N 1 1 355.438 2.157 20 10 FECDMO O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2N1 ZINC000161934439 546135455 /nfs/dbraw/zinc/13/54/55/546135455.db2.gz RGSJBMXEOBVJER-DOMZBBRYSA-N 1 1 372.425 2.379 20 10 FECDMO Cc1cc(N2CCC(NC(=O)c3ccc(C)c(O)c3O)CC2)nc(C)[nH+]1 ZINC000179538050 546972963 /nfs/dbraw/zinc/97/29/63/546972963.db2.gz MOENJPXSNQWQRI-UHFFFAOYSA-N 1 1 356.426 2.212 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1OC ZINC000180070782 547047444 /nfs/dbraw/zinc/04/74/44/547047444.db2.gz VBMNGOPJGSURRH-CYBMUJFWSA-N 1 1 358.442 2.327 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)c3ccccn3)CC2)cc1 ZINC000182076639 547433353 /nfs/dbraw/zinc/43/33/53/547433353.db2.gz LXSOBIBKVMOTRV-INIZCTEOSA-N 1 1 354.454 2.090 20 10 FECDMO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000194931822 548553672 /nfs/dbraw/zinc/55/36/72/548553672.db2.gz CBXIOZUWXJJHQL-QGZVFWFLSA-N 1 1 371.485 2.352 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000265525043 550010573 /nfs/dbraw/zinc/01/05/73/550010573.db2.gz JWRDEDRPYPCSNE-NVXWUHKLSA-N 1 1 373.419 2.099 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000265525043 550010575 /nfs/dbraw/zinc/01/05/75/550010575.db2.gz JWRDEDRPYPCSNE-NVXWUHKLSA-N 1 1 373.419 2.099 20 10 FECDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000268165402 550037085 /nfs/dbraw/zinc/03/70/85/550037085.db2.gz PMNWRBWZVQYLPU-UZLBHIALSA-N 1 1 372.513 2.147 20 10 FECDMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCc1ccc(O)c(O)c1 ZINC000269237239 550170472 /nfs/dbraw/zinc/17/04/72/550170472.db2.gz VAAXHBXKCCNWDX-SFHVURJKSA-N 1 1 370.449 2.048 20 10 FECDMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCc1ccc(O)c(O)c1 ZINC000269237239 550170475 /nfs/dbraw/zinc/17/04/75/550170475.db2.gz VAAXHBXKCCNWDX-SFHVURJKSA-N 1 1 370.449 2.048 20 10 FECDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000272282512 550433768 /nfs/dbraw/zinc/43/37/68/550433768.db2.gz BVIPNULNLYHMSI-UYAOXDASSA-N 1 1 372.513 2.149 20 10 FECDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)[C@@H]2C1 ZINC000272594553 550459773 /nfs/dbraw/zinc/45/97/73/550459773.db2.gz IEZCHTQVWBJILJ-WESDXNOOSA-N 1 1 355.482 2.089 20 10 FECDMO COc1c(O)c(C[NH2+]CCCNC(=O)c2cccs2)ccc1[N+](=O)[O-] ZINC000278835866 550827467 /nfs/dbraw/zinc/82/74/67/550827467.db2.gz JFTWBKHZGROLIU-UHFFFAOYSA-N 1 1 365.411 2.280 20 10 FECDMO CC[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1O ZINC000285726364 551801873 /nfs/dbraw/zinc/80/18/73/551801873.db2.gz QKWAAMPPSZLZAA-INIZCTEOSA-N 1 1 352.431 2.462 20 10 FECDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(Br)ccc1O ZINC000289271965 552293031 /nfs/dbraw/zinc/29/30/31/552293031.db2.gz GKXMTTJKMGAEBU-DOMZBBRYSA-N 1 1 355.276 2.450 20 10 FECDMO Cn1ccnc1[C@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1O)C(F)(F)F ZINC000293667197 552845368 /nfs/dbraw/zinc/84/53/68/552845368.db2.gz QBQJNDOAFAMJHS-CYBMUJFWSA-N 1 1 367.730 2.458 20 10 FECDMO COC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)O1 ZINC000295405512 553001079 /nfs/dbraw/zinc/00/10/79/553001079.db2.gz SFOBNCRKHPDAEF-DNVCBOLYSA-N 1 1 362.470 2.064 20 10 FECDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@@H](C)O1 ZINC000295405512 553001082 /nfs/dbraw/zinc/00/10/82/553001082.db2.gz SFOBNCRKHPDAEF-DNVCBOLYSA-N 1 1 362.470 2.064 20 10 FECDMO COc1cc(Cl)cc(CN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c1O ZINC000363909061 555211441 /nfs/dbraw/zinc/21/14/41/555211441.db2.gz MUAKMGDJNWQKID-HOTGVXAUSA-N 1 1 354.878 2.475 20 10 FECDMO COc1ccc(N2CCCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)cc1 ZINC000363973413 555225222 /nfs/dbraw/zinc/22/52/22/555225222.db2.gz ONMAEYPUGULXQW-UHFFFAOYSA-N 1 1 369.469 2.039 20 10 FECDMO Oc1cc2c(cc1C[NH2+]Cc1nnc3n1C[C@H](C(F)(F)F)CC3)OCO2 ZINC000364032921 555237059 /nfs/dbraw/zinc/23/70/59/555237059.db2.gz JYXTUCLHHQRFBL-SNVBAGLBSA-N 1 1 370.331 2.127 20 10 FECDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)nn1 ZINC000368106397 556220357 /nfs/dbraw/zinc/22/03/57/556220357.db2.gz FFAMWGWADOQSCR-AWEZNQCLSA-N 1 1 352.394 2.371 20 10 FECDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCCN(c3nccc(OC)n3)CC2)c1 ZINC000370063725 556771480 /nfs/dbraw/zinc/77/14/80/556771480.db2.gz SBDWAJQJTNVORV-CQSZACIVSA-N 1 1 358.442 2.473 20 10 FECDMO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000370074630 556773878 /nfs/dbraw/zinc/77/38/78/556773878.db2.gz WQNYKHGVSJQXFK-LLVKDONJSA-N 1 1 368.434 2.006 20 10 FECDMO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000370074630 556773879 /nfs/dbraw/zinc/77/38/79/556773879.db2.gz WQNYKHGVSJQXFK-LLVKDONJSA-N 1 1 368.434 2.006 20 10 FECDMO COc1ccc(N2CCC([N@H+](C)CCS(=O)(=O)C(C)C)CC2)cc1 ZINC000370161896 556798454 /nfs/dbraw/zinc/79/84/54/556798454.db2.gz MRZFXIKVYJEYMH-UHFFFAOYSA-N 1 1 354.516 2.419 20 10 FECDMO COc1ccc(N2CCC([N@@H+](C)CCS(=O)(=O)C(C)C)CC2)cc1 ZINC000370161896 556798457 /nfs/dbraw/zinc/79/84/57/556798457.db2.gz MRZFXIKVYJEYMH-UHFFFAOYSA-N 1 1 354.516 2.419 20 10 FECDMO O=S(=O)(C1CC1)N1CCCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000370162227 556798828 /nfs/dbraw/zinc/79/88/28/556798828.db2.gz OMADZUQCWILNAG-UHFFFAOYSA-N 1 1 362.854 2.185 20 10 FECDMO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2cccc(F)c2O)CC(=O)N1C ZINC000370402617 556861899 /nfs/dbraw/zinc/86/18/99/556861899.db2.gz BDPNJRXSQQVYKO-KBXCAEBGSA-N 1 1 360.433 2.191 20 10 FECDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Br)cc(OC)c2O)C[C@H]1C ZINC000370482179 556885918 /nfs/dbraw/zinc/88/59/18/556885918.db2.gz CFLKCKHTRZIFQE-BXKDBHETSA-N 1 1 358.232 2.404 20 10 FECDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc(N2CCOCC2)cc1 ZINC000371471355 557191982 /nfs/dbraw/zinc/19/19/82/557191982.db2.gz TUXHMEAPHZAEPK-NJDAHSKKSA-N 1 1 359.514 2.207 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000373210225 557650670 /nfs/dbraw/zinc/65/06/70/557650670.db2.gz OCWWTLZYJHEINR-AWEZNQCLSA-N 1 1 363.414 2.286 20 10 FECDMO COc1c(O)c(C[N@H+]2CCCC[C@H]2CN2CCCC2=O)ccc1[N+](=O)[O-] ZINC000373210225 557650672 /nfs/dbraw/zinc/65/06/72/557650672.db2.gz OCWWTLZYJHEINR-AWEZNQCLSA-N 1 1 363.414 2.286 20 10 FECDMO COc1c(O)c(C[N@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000373604825 557728015 /nfs/dbraw/zinc/72/80/15/557728015.db2.gz SSFAMCXSTYLGMQ-SFHVURJKSA-N 1 1 366.414 2.469 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000374340544 557868325 /nfs/dbraw/zinc/86/83/25/557868325.db2.gz KQIBRACQAHYSFF-LJQANCHMSA-N 1 1 359.514 2.460 20 10 FECDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000374805374 557934202 /nfs/dbraw/zinc/93/42/02/557934202.db2.gz IOQBDQACLRZZDY-OTIUETMYSA-N 1 1 360.454 2.117 20 10 FECDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1)c1ccco1 ZINC000375693030 558068427 /nfs/dbraw/zinc/06/84/27/558068427.db2.gz NVUILEBIOIVLGE-ZDUSSCGKSA-N 1 1 358.394 2.356 20 10 FECDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)n1-c1ccccn1 ZINC000377513575 558354708 /nfs/dbraw/zinc/35/47/08/558354708.db2.gz UQBNRBCXFPCXRV-IAGOWNOFSA-N 1 1 354.454 2.082 20 10 FECDMO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000377691658 558398294 /nfs/dbraw/zinc/39/82/94/558398294.db2.gz HVHNANUYEMGOCY-CVEARBPZSA-N 1 1 352.406 2.401 20 10 FECDMO COc1ccc(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000821831591 599426560 /nfs/dbraw/zinc/42/65/60/599426560.db2.gz FBMYNTXPRCESMU-UHFFFAOYSA-N 1 1 354.414 2.227 20 10 FECDMO CCn1ncc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000815835071 674976429 /nfs/dbraw/zinc/97/64/29/674976429.db2.gz JIWBNEZMJCKRGA-CQSZACIVSA-N 1 1 363.849 2.051 20 10 FECDMO CCn1ncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000815835071 674976433 /nfs/dbraw/zinc/97/64/33/674976433.db2.gz JIWBNEZMJCKRGA-CQSZACIVSA-N 1 1 363.849 2.051 20 10 FECDMO O=C(C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1)N1CCOCC1 ZINC000816482320 675058770 /nfs/dbraw/zinc/05/87/70/675058770.db2.gz BMMNWEKJEUXCON-UHFFFAOYSA-N 1 1 356.825 2.256 20 10 FECDMO CCS(=O)(=O)N1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC000052088253 670308794 /nfs/dbraw/zinc/30/87/94/670308794.db2.gz BLOHRSNDPLMHHA-UHFFFAOYSA-N 1 1 364.467 2.021 20 10 FECDMO CC[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCS1 ZINC000076072482 670540922 /nfs/dbraw/zinc/54/09/22/670540922.db2.gz SYTXNTUVGNQARY-SFHVURJKSA-N 1 1 363.527 2.171 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1O ZINC000093808531 670756041 /nfs/dbraw/zinc/75/60/41/670756041.db2.gz IFRNOBAOYWXLLQ-SNVBAGLBSA-N 1 1 357.248 2.251 20 10 FECDMO Cc1cc(Br)cc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)c1O ZINC000180236240 672411461 /nfs/dbraw/zinc/41/14/61/672411461.db2.gz SPXXRDSFFSXCMQ-SNVBAGLBSA-N 1 1 350.278 2.328 20 10 FECDMO Cc1cc(Br)cc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)c1O ZINC000180236240 672411463 /nfs/dbraw/zinc/41/14/63/672411463.db2.gz SPXXRDSFFSXCMQ-SNVBAGLBSA-N 1 1 350.278 2.328 20 10 FECDMO COCCN1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1=O ZINC000189285697 672612872 /nfs/dbraw/zinc/61/28/72/672612872.db2.gz DTBPBRPLVUYISZ-UHFFFAOYSA-N 1 1 350.459 2.076 20 10 FECDMO COCCN1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1=O ZINC000189285697 672612874 /nfs/dbraw/zinc/61/28/74/672612874.db2.gz DTBPBRPLVUYISZ-UHFFFAOYSA-N 1 1 350.459 2.076 20 10 FECDMO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000735073301 673480630 /nfs/dbraw/zinc/48/06/30/673480630.db2.gz MJQGXBHECDEKCD-ZDUSSCGKSA-N 1 1 360.435 2.415 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1O ZINC000824726966 675618725 /nfs/dbraw/zinc/61/87/25/675618725.db2.gz XWMWHXSUNPQONS-CYBMUJFWSA-N 1 1 352.175 2.365 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@](O)(C(F)F)C2)c1O ZINC000824726966 675618727 /nfs/dbraw/zinc/61/87/27/675618727.db2.gz XWMWHXSUNPQONS-CYBMUJFWSA-N 1 1 352.175 2.365 20 10 FECDMO Cc1ccc(O)c(C[NH2+]Cc2nn(C)cc2I)c1 ZINC000825078978 675635914 /nfs/dbraw/zinc/63/59/14/675635914.db2.gz IELFEUVEQWPSQH-UHFFFAOYSA-N 1 1 357.195 2.329 20 10 FECDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000825883618 675672717 /nfs/dbraw/zinc/67/27/17/675672717.db2.gz YXCHMPPLPUEBGV-CYBMUJFWSA-N 1 1 360.907 2.457 20 10 FECDMO O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1cccc(O)c1O ZINC000760554181 680692410 /nfs/dbraw/zinc/69/24/10/680692410.db2.gz FZSQKOYCMUAOLU-HNNXBMFYSA-N 1 1 358.463 2.445 20 10 FECDMO O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1cccc(O)c1O ZINC000760554181 680692412 /nfs/dbraw/zinc/69/24/12/680692412.db2.gz FZSQKOYCMUAOLU-HNNXBMFYSA-N 1 1 358.463 2.445 20 10 FECDMO C[C@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C[N@H+]1C1CC1 ZINC000762097448 680740468 /nfs/dbraw/zinc/74/04/68/680740468.db2.gz TXYVAMWOZWKVLJ-NHYWBVRUSA-N 1 1 363.845 2.435 20 10 FECDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146644 680741490 /nfs/dbraw/zinc/74/14/90/680741490.db2.gz PISUODMBBXUBBZ-ACJLOTCBSA-N 1 1 351.441 2.374 20 10 FECDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146644 680741491 /nfs/dbraw/zinc/74/14/91/680741491.db2.gz PISUODMBBXUBBZ-ACJLOTCBSA-N 1 1 351.441 2.374 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(Cl)c1 ZINC000840909122 680851933 /nfs/dbraw/zinc/85/19/33/680851933.db2.gz AHZYZXQZRNLSNN-AWEZNQCLSA-N 1 1 352.862 2.425 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c(Cl)c1 ZINC000840946636 680855773 /nfs/dbraw/zinc/85/57/73/680855773.db2.gz DASVZFGMALVSSD-DIFFPNOSSA-N 1 1 351.834 2.307 20 10 FECDMO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841044540 680860849 /nfs/dbraw/zinc/86/08/49/680860849.db2.gz CPDXXMQALLZFBC-BEFAXECRSA-N 1 1 361.511 2.204 20 10 FECDMO CC(C)N1CC[NH+](CCCC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000911897142 685279486 /nfs/dbraw/zinc/27/94/86/685279486.db2.gz GLKCQLLTFOHRMJ-UHFFFAOYSA-N 1 1 353.894 2.468 20 10 FECDMO C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(Br)cc(Cl)c1[O-] ZINC000756557829 680485085 /nfs/dbraw/zinc/48/50/85/680485085.db2.gz WKTKYOMUALRQCT-PSASIEDQSA-N 1 1 351.672 2.381 20 10 FECDMO COC(=O)C[C@]1([NH2+]Cc2cccc(Br)c2O)CCCOC1 ZINC000770680251 681023755 /nfs/dbraw/zinc/02/37/55/681023755.db2.gz SOQKFZOHZKYTJT-OAHLLOKOSA-N 1 1 358.232 2.357 20 10 FECDMO Cc1cnn(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000771053540 681039344 /nfs/dbraw/zinc/03/93/44/681039344.db2.gz OBLWYQQBOJOCFP-INIZCTEOSA-N 1 1 362.861 2.331 20 10 FECDMO CC(C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)[NH+]1CCOCC1 ZINC000844869295 681089052 /nfs/dbraw/zinc/08/90/52/681089052.db2.gz ROEOKMKHDIJAFO-HNNXBMFYSA-N 1 1 355.866 2.202 20 10 FECDMO C[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000774200173 681172442 /nfs/dbraw/zinc/17/24/42/681172442.db2.gz WDOMLBRTELSVOW-SECBINFHSA-N 1 1 368.282 2.289 20 10 FECDMO CCC[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000847031594 681323064 /nfs/dbraw/zinc/32/30/64/681323064.db2.gz IOUCJHQWOUHROR-UHFFFAOYSA-N 1 1 351.466 2.399 20 10 FECDMO C[C@@H](CNC(=O)NCCCSc1nccs1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847335549 681364691 /nfs/dbraw/zinc/36/46/91/681364691.db2.gz FJLHVAIBCNINCG-MELADBBJSA-N 1 1 372.560 2.422 20 10 FECDMO C[C@@H](CNC(=O)NCCCSc1nccs1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847335549 681364698 /nfs/dbraw/zinc/36/46/98/681364698.db2.gz FJLHVAIBCNINCG-MELADBBJSA-N 1 1 372.560 2.422 20 10 FECDMO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000858587051 682981995 /nfs/dbraw/zinc/98/19/95/682981995.db2.gz NDDFMRATVUXSEM-CHWSQXEVSA-N 1 1 355.866 2.236 20 10 FECDMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000795654663 683078021 /nfs/dbraw/zinc/07/80/21/683078021.db2.gz UVSACNIKJAKOOX-HNNXBMFYSA-N 1 1 370.515 2.251 20 10 FECDMO C[N@H+]1CCN(CC[NH2+]Cc2cccc(Br)c2[O-])CC1(C)C ZINC000799346759 683447733 /nfs/dbraw/zinc/44/77/33/683447733.db2.gz RMTIWISGPOLYSZ-UHFFFAOYSA-N 1 1 356.308 2.270 20 10 FECDMO Brc1c[nH]c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000921582172 683509529 /nfs/dbraw/zinc/50/95/29/683509529.db2.gz QPPOXWHBZVFLBP-UHFFFAOYSA-N 1 1 351.248 2.299 20 10 FECDMO C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cccc(C(F)(F)F)c1O ZINC000866521787 684114965 /nfs/dbraw/zinc/11/49/65/684114965.db2.gz PBSYJEGKGUWIGR-BMIGLBTASA-N 1 1 360.332 2.283 20 10 FECDMO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877481011 686387221 /nfs/dbraw/zinc/38/72/21/686387221.db2.gz ROZXZYZDZXYLHS-IBGZPJMESA-N 1 1 366.527 2.047 20 10 FECDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877481011 686387229 /nfs/dbraw/zinc/38/72/29/686387229.db2.gz ROZXZYZDZXYLHS-IBGZPJMESA-N 1 1 366.527 2.047 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(c3nnnn3C)CC2)c1 ZINC000877780880 686455687 /nfs/dbraw/zinc/45/56/87/686455687.db2.gz ISZVDCSLCAOEPQ-UHFFFAOYSA-N 1 1 366.263 2.366 20 10 FECDMO CN1CCN(c2ccc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc2)CC1 ZINC000883366990 687615370 /nfs/dbraw/zinc/61/53/70/687615370.db2.gz FNFSZLIGVUXDTG-CQSZACIVSA-N 1 1 367.362 2.087 20 10 FECDMO COc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c(O)c1OC ZINC000894086895 689463508 /nfs/dbraw/zinc/46/35/08/689463508.db2.gz BWDCIJATJZUNGO-AWEZNQCLSA-N 1 1 350.459 2.095 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2C[C@H]3CN(C(C)=O)C[C@H]3C2)c1O ZINC000895575778 689738559 /nfs/dbraw/zinc/73/85/59/689738559.db2.gz IYBHQAOGUARRHL-BETUJISGSA-N 1 1 369.259 2.073 20 10 FECDMO COc1cc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000897618523 690050615 /nfs/dbraw/zinc/05/06/15/690050615.db2.gz USZITTAAHCYJNQ-OKILXGFUSA-N 1 1 353.484 2.175 20 10 FECDMO CN1CCN(c2ccc(CN3CC[C@H](C(F)(F)F)[C@H]([NH3+])C3)cc2)CC1 ZINC000903983056 690992135 /nfs/dbraw/zinc/99/21/35/690992135.db2.gz BFBHRRDJRGFNFY-DLBZAZTESA-N 1 1 356.436 2.150 20 10 FECDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000826023822 675678301 /nfs/dbraw/zinc/67/83/01/675678301.db2.gz HXOHSIVJRRJDFC-LLVKDONJSA-N 1 1 355.232 2.429 20 10 FECDMO CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000093132861 542911026 /nfs/dbraw/zinc/91/10/26/542911026.db2.gz FYMIKBDOZVCVDD-HNNXBMFYSA-N 1 1 368.865 2.166 20 10 FECDMO CCC[N@@H+](Cc1cc(Br)cc(C)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000802657105 674190294 /nfs/dbraw/zinc/19/02/94/674190294.db2.gz ZVDDZIOFCUNQGK-CYBMUJFWSA-N 1 1 369.259 2.432 20 10 FECDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000157105219 545701234 /nfs/dbraw/zinc/70/12/34/545701234.db2.gz SYFRBVSCXOUCRD-KJRVTTDBSA-N 1 1 369.509 2.479 20 10 FECDMO COc1cccc(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)c1O ZINC000173833703 546287491 /nfs/dbraw/zinc/28/74/91/546287491.db2.gz NYAQJPPDFMPIOY-UHFFFAOYSA-N 1 1 355.438 2.258 20 10 FECDMO O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000180672964 547155859 /nfs/dbraw/zinc/15/58/59/547155859.db2.gz PTJIZFIJRRXRLM-FNORWQNLSA-N 1 1 368.433 2.260 20 10 FECDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1 ZINC000180786431 547179551 /nfs/dbraw/zinc/17/95/51/547179551.db2.gz SHUKSGZBGYLOLR-UTDDRVLSSA-N 1 1 362.470 2.364 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1O ZINC000184703252 547868592 /nfs/dbraw/zinc/86/85/92/547868592.db2.gz ZAFZWRFUIRQDKK-AWEZNQCLSA-N 1 1 374.890 2.054 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1O ZINC000184703252 547868598 /nfs/dbraw/zinc/86/85/98/547868598.db2.gz ZAFZWRFUIRQDKK-AWEZNQCLSA-N 1 1 374.890 2.054 20 10 FECDMO Cc1cc(N2CC[C@@H]([NH2+]Cc3c(O)ccc(Cl)c3F)C2=O)n(C)n1 ZINC000191228425 548343110 /nfs/dbraw/zinc/34/31/10/548343110.db2.gz NVQKIGVZEZROCU-GFCCVEGCSA-N 1 1 352.797 2.122 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1OC ZINC000194924046 548552236 /nfs/dbraw/zinc/55/22/36/548552236.db2.gz RBARZDZCTKWKNW-GFCCVEGCSA-N 1 1 362.430 2.238 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)CCC(F)(F)F)CC2)cc1 ZINC000266237941 550018625 /nfs/dbraw/zinc/01/86/25/550018625.db2.gz DMSVEVCOLFDGIY-UHFFFAOYSA-N 1 1 359.392 2.276 20 10 FECDMO CN(C)c1[nH+]cc(CNC(=O)NCc2ccc(N3CCCC3)cc2)n1C ZINC000267587665 550033609 /nfs/dbraw/zinc/03/36/09/550033609.db2.gz IMLDISGBJLZCOB-UHFFFAOYSA-N 1 1 356.474 2.086 20 10 FECDMO CN1CC[N@@H+](CCCNC(=O)Cc2ccc(N)cc2)[C@@H](c2ccccc2)C1 ZINC000269244903 550171685 /nfs/dbraw/zinc/17/16/85/550171685.db2.gz DBJVSZBLAMIXOS-OAQYLSRUSA-N 1 1 366.509 2.306 20 10 FECDMO C[N@@H+]1CCN(CCCNC(=O)Cc2ccc(N)cc2)[C@@H](c2ccccc2)C1 ZINC000269244903 550171687 /nfs/dbraw/zinc/17/16/87/550171687.db2.gz DBJVSZBLAMIXOS-OAQYLSRUSA-N 1 1 366.509 2.306 20 10 FECDMO C[N@H+]1CCN(CCCNC(=O)Cc2ccc(N)cc2)[C@@H](c2ccccc2)C1 ZINC000269244903 550171689 /nfs/dbraw/zinc/17/16/89/550171689.db2.gz DBJVSZBLAMIXOS-OAQYLSRUSA-N 1 1 366.509 2.306 20 10 FECDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000269312247 550179725 /nfs/dbraw/zinc/17/97/25/550179725.db2.gz XFGKROPASKKJAO-UHFFFAOYSA-N 1 1 366.509 2.265 20 10 FECDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000274832261 550558246 /nfs/dbraw/zinc/55/82/46/550558246.db2.gz VBAUKRGZZZFPCN-UHFFFAOYSA-N 1 1 359.378 2.305 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000278520243 550794964 /nfs/dbraw/zinc/79/49/64/550794964.db2.gz RWLWPOKKQLMKGB-YPMHNXCESA-N 1 1 351.403 2.046 20 10 FECDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000278766219 550819434 /nfs/dbraw/zinc/81/94/34/550819434.db2.gz UFSQSWCRMVYCLC-DOMZBBRYSA-N 1 1 374.275 2.001 20 10 FECDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000281381031 551090315 /nfs/dbraw/zinc/09/03/15/551090315.db2.gz WEGVFIFAEMTDMF-LJQANCHMSA-N 1 1 367.442 2.201 20 10 FECDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000282540524 551244031 /nfs/dbraw/zinc/24/40/31/551244031.db2.gz VYXPGVPACZTRJT-OAHLLOKOSA-N 1 1 361.486 2.107 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285616689 551783866 /nfs/dbraw/zinc/78/38/66/551783866.db2.gz QIHACTMNQZYCFC-QGZVFWFLSA-N 1 1 373.419 2.148 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285616689 551783868 /nfs/dbraw/zinc/78/38/68/551783868.db2.gz QIHACTMNQZYCFC-QGZVFWFLSA-N 1 1 373.419 2.148 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000286290532 551870264 /nfs/dbraw/zinc/87/02/64/551870264.db2.gz HMYCNIFIQZGYNO-UHFFFAOYSA-N 1 1 361.486 2.121 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2COC(=O)N(C)C)cc1OC ZINC000289529585 552335969 /nfs/dbraw/zinc/33/59/69/552335969.db2.gz HOLDAJGFTGXQCS-CQSZACIVSA-N 1 1 352.431 2.462 20 10 FECDMO COc1ccc(N2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CC2)cc1F ZINC000290570623 552499758 /nfs/dbraw/zinc/49/97/58/552499758.db2.gz ZJILWWLFPXTYBE-HNNXBMFYSA-N 1 1 372.444 2.250 20 10 FECDMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(Cl)c1[O-] ZINC000293933482 552868982 /nfs/dbraw/zinc/86/89/82/552868982.db2.gz NSGDULLVZRJUTH-UHFFFAOYSA-N 1 1 370.858 2.204 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000294820770 552936478 /nfs/dbraw/zinc/93/64/78/552936478.db2.gz GCUAVCXBXHYHEV-UHFFFAOYSA-N 1 1 367.449 2.486 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000297590264 553312653 /nfs/dbraw/zinc/31/26/53/553312653.db2.gz CERUPRJXFNFUST-NRFANRHFSA-N 1 1 373.497 2.075 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000297917348 553357004 /nfs/dbraw/zinc/35/70/04/553357004.db2.gz SZEQQGMZAPBWLH-LJQANCHMSA-N 1 1 374.529 2.044 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3ccncn3)CC2)cc1 ZINC000298459107 553427348 /nfs/dbraw/zinc/42/73/48/553427348.db2.gz RNJBAXBQSBBOQU-UHFFFAOYSA-N 1 1 367.497 2.381 20 10 FECDMO COc1cccc(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)c1O ZINC000360061006 554862114 /nfs/dbraw/zinc/86/21/14/554862114.db2.gz RSWSHCIDZQIBQI-UHFFFAOYSA-N 1 1 362.451 2.183 20 10 FECDMO COc1cccc(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)c1O ZINC000360061006 554862116 /nfs/dbraw/zinc/86/21/16/554862116.db2.gz RSWSHCIDZQIBQI-UHFFFAOYSA-N 1 1 362.451 2.183 20 10 FECDMO COCCC[N@H+]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000363117732 555033981 /nfs/dbraw/zinc/03/39/81/555033981.db2.gz KVVIXAVZRVBUTH-UHFFFAOYSA-N 1 1 374.529 2.323 20 10 FECDMO COc1c(O)c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)ccc1[N+](=O)[O-] ZINC000364591767 555347140 /nfs/dbraw/zinc/34/71/40/555347140.db2.gz SPHVCUACGMCYCJ-UHFFFAOYSA-N 1 1 373.413 2.226 20 10 FECDMO CCCOc1ccc(C[N@H+]2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)c(O)c1 ZINC000366536749 555870659 /nfs/dbraw/zinc/87/06/59/555870659.db2.gz SUPXJCGGPNPFLZ-IBGZPJMESA-N 1 1 361.442 2.086 20 10 FECDMO COCCC[N@H+]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000369660051 556661359 /nfs/dbraw/zinc/66/13/59/556661359.db2.gz FMEJYKJATXBRGB-UHFFFAOYSA-N 1 1 372.513 2.317 20 10 FECDMO CN(C)c1ccc(C[N@@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000371378648 557166243 /nfs/dbraw/zinc/16/62/43/557166243.db2.gz JVGQHUJGAHOFTE-UHFFFAOYSA-N 1 1 358.530 2.271 20 10 FECDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000373111555 557630812 /nfs/dbraw/zinc/63/08/12/557630812.db2.gz UUMKZYBGRKPOBV-LBPRGKRZSA-N 1 1 371.397 2.118 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000373940496 557791787 /nfs/dbraw/zinc/79/17/87/557791787.db2.gz YNOVSVSWJPRBLH-SFHVURJKSA-N 1 1 367.497 2.381 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000373940496 557791789 /nfs/dbraw/zinc/79/17/89/557791789.db2.gz YNOVSVSWJPRBLH-SFHVURJKSA-N 1 1 367.497 2.381 20 10 FECDMO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)cc1 ZINC000374698693 557918375 /nfs/dbraw/zinc/91/83/75/557918375.db2.gz RLXWMOMIZRQSMN-IBGZPJMESA-N 1 1 364.449 2.406 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)cc1 ZINC000374698693 557918376 /nfs/dbraw/zinc/91/83/76/557918376.db2.gz RLXWMOMIZRQSMN-IBGZPJMESA-N 1 1 364.449 2.406 20 10 FECDMO CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000375780701 558079572 /nfs/dbraw/zinc/07/95/72/558079572.db2.gz PZWXUBYSCHVOQJ-LLVKDONJSA-N 1 1 368.434 2.006 20 10 FECDMO CNC(=O)CCN(C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444119273 560102353 /nfs/dbraw/zinc/10/23/53/560102353.db2.gz ACNPYUFAZUSNDT-UHFFFAOYSA-N 1 1 370.497 2.002 20 10 FECDMO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809712923 674506744 /nfs/dbraw/zinc/50/67/44/674506744.db2.gz AZMNAWRWXQVHJM-CYBMUJFWSA-N 1 1 351.403 2.190 20 10 FECDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809712923 674506747 /nfs/dbraw/zinc/50/67/47/674506747.db2.gz AZMNAWRWXQVHJM-CYBMUJFWSA-N 1 1 351.403 2.190 20 10 FECDMO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000815558352 674959611 /nfs/dbraw/zinc/95/96/11/674959611.db2.gz AKEWWVXAAPDGSE-JTQLQIEISA-N 1 1 354.394 2.343 20 10 FECDMO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816609079 675068419 /nfs/dbraw/zinc/06/84/19/675068419.db2.gz RBYZYUWCUXTENP-QMTHXVAHSA-N 1 1 364.870 2.382 20 10 FECDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000092303776 670737322 /nfs/dbraw/zinc/73/73/22/670737322.db2.gz KJZOPEKGKRORHS-HNNXBMFYSA-N 1 1 364.467 2.068 20 10 FECDMO Oc1c(Br)cccc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000119528198 671902059 /nfs/dbraw/zinc/90/20/59/671902059.db2.gz VMXRRYDJHCJVED-UHFFFAOYSA-N 1 1 368.319 2.368 20 10 FECDMO CCC[N@@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000123532863 671981350 /nfs/dbraw/zinc/98/13/50/671981350.db2.gz WTQSKJNOYPPDOR-GASCZTMLSA-N 1 1 351.466 2.397 20 10 FECDMO O=C1NCCN1C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000127638150 672039561 /nfs/dbraw/zinc/03/95/61/672039561.db2.gz ULQBSYAZVRNCCE-UHFFFAOYSA-N 1 1 354.248 2.144 20 10 FECDMO Oc1c(Br)cccc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000129773122 672066445 /nfs/dbraw/zinc/06/64/45/672066445.db2.gz OAQVKMODWASILV-UHFFFAOYSA-N 1 1 355.276 2.451 20 10 FECDMO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1O ZINC000186158689 672542728 /nfs/dbraw/zinc/54/27/28/672542728.db2.gz PSHJUAJCTQZUNM-PWSUYJOCSA-N 1 1 359.444 2.078 20 10 FECDMO COc1cccc(O)c1C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824828179 675623852 /nfs/dbraw/zinc/62/38/52/675623852.db2.gz LUJXAVSJZPLHQJ-VXGBXAGGSA-N 1 1 358.360 2.243 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 ZINC000824832708 675624527 /nfs/dbraw/zinc/62/45/27/675624527.db2.gz ZJOMYYNJZVTUND-YPMHNXCESA-N 1 1 358.360 2.243 20 10 FECDMO Cc1cc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000827842868 675782776 /nfs/dbraw/zinc/78/27/76/675782776.db2.gz COZQUDOZBKLBLL-KRWDZBQOSA-N 1 1 351.516 2.109 20 10 FECDMO Cc1cc(C(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829994607 677020723 /nfs/dbraw/zinc/02/07/23/677020723.db2.gz ZXNUTCNRCKOCKJ-FVQHAEBGSA-N 1 1 359.857 2.495 20 10 FECDMO Cc1cc(C(=O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829994607 677020724 /nfs/dbraw/zinc/02/07/24/677020724.db2.gz ZXNUTCNRCKOCKJ-FVQHAEBGSA-N 1 1 359.857 2.495 20 10 FECDMO Cc1cc(C(=O)Cn2nnnc2C[NH3+])c(C)n1-c1ccc(F)c(Cl)c1 ZINC000830457165 677040730 /nfs/dbraw/zinc/04/07/30/677040730.db2.gz ZONXGZUZXLQMLV-UHFFFAOYSA-N 1 1 362.796 2.215 20 10 FECDMO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000761076991 680709918 /nfs/dbraw/zinc/70/99/18/680709918.db2.gz OOSCFPHACOLUCE-CABCVRRESA-N 1 1 363.845 2.437 20 10 FECDMO CC[N@@H+](CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C1CC1 ZINC000761204302 680714723 /nfs/dbraw/zinc/71/47/23/680714723.db2.gz GFLQISXEPJPHOH-UHFFFAOYSA-N 1 1 351.834 2.294 20 10 FECDMO Oc1c(Br)cccc1CNc1nc(N2CCOCC2)cc[nH+]1 ZINC000764935572 680825052 /nfs/dbraw/zinc/82/50/52/680825052.db2.gz XTIIWGYLZWSPFY-UHFFFAOYSA-N 1 1 365.231 2.393 20 10 FECDMO O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2cccc(F)c2O)c1 ZINC000765672230 680850335 /nfs/dbraw/zinc/85/03/35/680850335.db2.gz LZODPHUZTKMKBQ-UHFFFAOYSA-N 1 1 350.415 2.361 20 10 FECDMO C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000840878406 680848816 /nfs/dbraw/zinc/84/88/16/680848816.db2.gz HNQHSAFKDAJGQL-CYBMUJFWSA-N 1 1 372.918 2.404 20 10 FECDMO C[N@@H+](CC(=O)NCc1cccc(Br)c1O)[C@@H]1CCSC1 ZINC000765728366 680852851 /nfs/dbraw/zinc/85/28/51/680852851.db2.gz IWFVUTMNSWTVIY-LLVKDONJSA-N 1 1 359.289 2.208 20 10 FECDMO CC[C@H](C)NC(=S)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000749769131 680073844 /nfs/dbraw/zinc/07/38/44/680073844.db2.gz PFMCBBSLIVHWRE-HNNXBMFYSA-N 1 1 350.532 2.080 20 10 FECDMO COCCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000835024641 680286421 /nfs/dbraw/zinc/28/64/21/680286421.db2.gz ACJMIOFTBNNWGR-FHHGHWCOSA-N 1 1 366.527 2.291 20 10 FECDMO COCCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000835024641 680286423 /nfs/dbraw/zinc/28/64/23/680286423.db2.gz ACJMIOFTBNNWGR-FHHGHWCOSA-N 1 1 366.527 2.291 20 10 FECDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754723368 680373078 /nfs/dbraw/zinc/37/30/78/680373078.db2.gz QZHVVRXSBFZMLQ-HUUCEWRRSA-N 1 1 350.459 2.072 20 10 FECDMO C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756450954 680479768 /nfs/dbraw/zinc/47/97/68/680479768.db2.gz WPVKQDATQSNYRL-PWSUYJOCSA-N 1 1 361.255 2.401 20 10 FECDMO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cc(F)cc(F)c1O ZINC000756731019 680495237 /nfs/dbraw/zinc/49/52/37/680495237.db2.gz CBZSMABFUHGMRW-HZMBPMFUSA-N 1 1 350.369 2.250 20 10 FECDMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842007680 680921516 /nfs/dbraw/zinc/92/15/16/680921516.db2.gz ZLILEMWMCQZJEF-SNVBAGLBSA-N 1 1 354.184 2.495 20 10 FECDMO C[N@H+](CC(=O)NCc1ccco1)Cc1cc(Br)ccc1O ZINC000768194140 680940297 /nfs/dbraw/zinc/94/02/97/680940297.db2.gz PMUOZJGKGUBNLK-UHFFFAOYSA-N 1 1 353.216 2.496 20 10 FECDMO C[N@@H+](CC(=O)NCc1ccco1)Cc1cc(Br)ccc1O ZINC000768194140 680940300 /nfs/dbraw/zinc/94/03/00/680940300.db2.gz PMUOZJGKGUBNLK-UHFFFAOYSA-N 1 1 353.216 2.496 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1[O-] ZINC000842478542 680949507 /nfs/dbraw/zinc/94/95/07/680949507.db2.gz HTZBVJAYDMWFPV-IEBWSBKVSA-N 1 1 350.434 2.452 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1O ZINC000842478542 680949508 /nfs/dbraw/zinc/94/95/08/680949508.db2.gz HTZBVJAYDMWFPV-IEBWSBKVSA-N 1 1 350.434 2.452 20 10 FECDMO Oc1c(Br)cccc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000769330394 680978446 /nfs/dbraw/zinc/97/84/46/680978446.db2.gz WLQJLWTZJILCJV-HUUCEWRRSA-N 1 1 355.276 2.186 20 10 FECDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1O ZINC000843058506 680984945 /nfs/dbraw/zinc/98/49/45/680984945.db2.gz UTJZIDYWUIJIMZ-WMLDXEAASA-N 1 1 365.905 2.434 20 10 FECDMO C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ncc(C(=O)[O-])s1 ZINC000843306550 680997398 /nfs/dbraw/zinc/99/73/98/680997398.db2.gz UJHXZGSCXRPDAI-ZDUSSCGKSA-N 1 1 360.483 2.444 20 10 FECDMO COc1ccc(N(C)CCN(C)C(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000844855447 681088239 /nfs/dbraw/zinc/08/82/39/681088239.db2.gz WPXGYTQCLNHBMK-MRXNPFEDSA-N 1 1 351.516 2.027 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)CC[C@@H](C)SC)CC2)cc1 ZINC000773293725 681134650 /nfs/dbraw/zinc/13/46/50/681134650.db2.gz YEHZAINGWBYKOV-MRXNPFEDSA-N 1 1 365.543 2.465 20 10 FECDMO C[C@@H]1CN(c2ccc(CNC(=O)CC(F)(F)C[NH3+])cc2F)C[C@@H](C)O1 ZINC000846672343 681274558 /nfs/dbraw/zinc/27/45/58/681274558.db2.gz FPGCQUAMEMELRG-VXGBXAGGSA-N 1 1 359.392 2.040 20 10 FECDMO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cccc(Br)c2O)C1 ZINC000775204516 681284925 /nfs/dbraw/zinc/28/49/25/681284925.db2.gz ORJWNAWUZBHYKA-GXTWGEPZSA-N 1 1 374.275 2.001 20 10 FECDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000775204516 681284928 /nfs/dbraw/zinc/28/49/28/681284928.db2.gz ORJWNAWUZBHYKA-GXTWGEPZSA-N 1 1 374.275 2.001 20 10 FECDMO C[NH+]1CCN(c2ccc(CN3CCC(O)(C(F)(F)F)CC3)cc2)CC1 ZINC000780892814 681884371 /nfs/dbraw/zinc/88/43/71/681884371.db2.gz KZWDEGXZWMXHRI-UHFFFAOYSA-N 1 1 357.420 2.328 20 10 FECDMO CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000853434712 682413108 /nfs/dbraw/zinc/41/31/08/682413108.db2.gz CQLZPAFFGISJFN-SFHVURJKSA-N 1 1 362.543 2.475 20 10 FECDMO Cn1cc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(Cl)n1 ZINC000856767125 682807896 /nfs/dbraw/zinc/80/78/96/682807896.db2.gz VCKVCCMUGQYYBI-AWEZNQCLSA-N 1 1 361.877 2.065 20 10 FECDMO C[N@@H+]1CCCN(CCC[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858126863 682936187 /nfs/dbraw/zinc/93/61/87/682936187.db2.gz LOUAZHMZXQVLIZ-UHFFFAOYSA-N 1 1 356.308 2.272 20 10 FECDMO C[N@H+]1CCCN(CCC[NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858126863 682936190 /nfs/dbraw/zinc/93/61/90/682936190.db2.gz LOUAZHMZXQVLIZ-UHFFFAOYSA-N 1 1 356.308 2.272 20 10 FECDMO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCCN3CC(F)F)cc2)CC1 ZINC000858230975 682947205 /nfs/dbraw/zinc/94/72/05/682947205.db2.gz HUIZVSMPWYMQKI-SFHVURJKSA-N 1 1 352.473 2.258 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC(F)(F)C[C@@H]1C)cc2=O ZINC000859838954 683162675 /nfs/dbraw/zinc/16/26/75/683162675.db2.gz ATRSSCCDVKMNOL-JTQLQIEISA-N 1 1 354.357 2.231 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC(F)(F)C[C@@H]1C)cc2=O ZINC000859838954 683162679 /nfs/dbraw/zinc/16/26/79/683162679.db2.gz ATRSSCCDVKMNOL-JTQLQIEISA-N 1 1 354.357 2.231 20 10 FECDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000862550684 683600241 /nfs/dbraw/zinc/60/02/41/683600241.db2.gz GTCOFBPNEUHEOA-SFHVURJKSA-N 1 1 365.543 2.438 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)cc1F ZINC000862550967 683600488 /nfs/dbraw/zinc/60/04/88/683600488.db2.gz IGYCRVFCLKTLQR-INIZCTEOSA-N 1 1 371.522 2.433 20 10 FECDMO Cn1ncc(I)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000865867974 684038676 /nfs/dbraw/zinc/03/86/76/684038676.db2.gz JYHJTQGDXQKHKI-UHFFFAOYSA-N 1 1 369.206 2.249 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1O ZINC000932024182 684393096 /nfs/dbraw/zinc/39/30/96/684393096.db2.gz GIUBAKFZCDFPAH-ACJLOTCBSA-N 1 1 350.390 2.444 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000925143017 684528165 /nfs/dbraw/zinc/52/81/65/684528165.db2.gz PGTRJIFZWFOFEI-ZWKOTPCHSA-N 1 1 362.543 2.474 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000872118867 684920637 /nfs/dbraw/zinc/92/06/37/684920637.db2.gz KMTITEQWTROMSP-YPRXJGMQSA-N 1 1 367.467 2.185 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1 ZINC000883361326 687613739 /nfs/dbraw/zinc/61/37/39/687613739.db2.gz ZSLBZRJHBILSKN-RDDDGLTNSA-N 1 1 357.275 2.388 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000895837955 689778586 /nfs/dbraw/zinc/77/85/86/689778586.db2.gz YTOFQKHEDGIXTO-CYBMUJFWSA-N 1 1 350.293 2.056 20 10 FECDMO C[C@@H]1CC[N@@H+](CCNC(=O)NCc2cccc(Br)c2O)C1 ZINC000897454675 690025489 /nfs/dbraw/zinc/02/54/89/690025489.db2.gz IODZNBRRTCTUNN-LLVKDONJSA-N 1 1 356.264 2.296 20 10 FECDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897494931 690030698 /nfs/dbraw/zinc/03/06/98/690030698.db2.gz UGILDFPUNLBRSF-NSHDSACASA-N 1 1 364.467 2.230 20 10 FECDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897494931 690030699 /nfs/dbraw/zinc/03/06/99/690030699.db2.gz UGILDFPUNLBRSF-NSHDSACASA-N 1 1 364.467 2.230 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cc1OC ZINC000905700053 691164603 /nfs/dbraw/zinc/16/46/03/691164603.db2.gz DGJWBUMCHZIRJR-UGSOOPFHSA-N 1 1 350.415 2.120 20 10 FECDMO O=C(CSc1nccs1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000044980016 540145711 /nfs/dbraw/zinc/14/57/11/540145711.db2.gz WWWBMPFWTFWFER-UHFFFAOYSA-N 1 1 355.529 2.387 20 10 FECDMO CS(=O)(=O)N1CC[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)C1 ZINC000801522976 674133705 /nfs/dbraw/zinc/13/37/05/674133705.db2.gz HXWCDPYNNJSBKZ-HNNXBMFYSA-N 1 1 364.467 2.269 20 10 FECDMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092011057 542838057 /nfs/dbraw/zinc/83/80/57/542838057.db2.gz XJGKEKJYLPDZAY-UYAOXDASSA-N 1 1 370.497 2.202 20 10 FECDMO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cc(C)c(C)cc2O)CC1 ZINC000092964980 542898942 /nfs/dbraw/zinc/89/89/42/542898942.db2.gz VQSJLHYUKKMMLL-UHFFFAOYSA-N 1 1 362.470 2.243 20 10 FECDMO CN(C)c1ccc(CNC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000107325677 543266417 /nfs/dbraw/zinc/26/64/17/543266417.db2.gz VWKGHVKWIJYIDK-HXUWFJFHSA-N 1 1 373.545 2.064 20 10 FECDMO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)Cc1ccccc1O)CC2 ZINC000109773470 543338670 /nfs/dbraw/zinc/33/86/70/543338670.db2.gz NZPVPHFQWRPCBQ-UHFFFAOYSA-N 1 1 370.449 2.426 20 10 FECDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H](C)C1 ZINC000128620792 544063002 /nfs/dbraw/zinc/06/30/02/544063002.db2.gz QXQWPLHAPRSICH-XLIONFOSSA-N 1 1 374.529 2.395 20 10 FECDMO Cc1cc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)[nH]n1 ZINC000134259547 544300399 /nfs/dbraw/zinc/30/03/99/544300399.db2.gz FFIZRYFZMPUHBM-OAHLLOKOSA-N 1 1 362.861 2.400 20 10 FECDMO Cc1cc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n[nH]1 ZINC000134259547 544300402 /nfs/dbraw/zinc/30/04/02/544300402.db2.gz FFIZRYFZMPUHBM-OAHLLOKOSA-N 1 1 362.861 2.400 20 10 FECDMO Cc1cc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n[nH]1 ZINC000134259547 544300405 /nfs/dbraw/zinc/30/04/05/544300405.db2.gz FFIZRYFZMPUHBM-OAHLLOKOSA-N 1 1 362.861 2.400 20 10 FECDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805183773 674324540 /nfs/dbraw/zinc/32/45/40/674324540.db2.gz JZTLIGIRRGKJCG-LLVKDONJSA-N 1 1 356.264 2.296 20 10 FECDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000805183774 674324619 /nfs/dbraw/zinc/32/46/19/674324619.db2.gz JZTLIGIRRGKJCG-NSHDSACASA-N 1 1 356.264 2.296 20 10 FECDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805199448 674325657 /nfs/dbraw/zinc/32/56/57/674325657.db2.gz SZRISMLUZWWGPX-QMTHXVAHSA-N 1 1 368.275 2.437 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CCCN(C(C)=O)CC2)c1O ZINC000179810684 547015757 /nfs/dbraw/zinc/01/57/57/547015757.db2.gz WZYCGDRRLSXXMZ-UHFFFAOYSA-N 1 1 357.248 2.218 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCCN(C(C)=O)CC2)c1O ZINC000179810684 547015760 /nfs/dbraw/zinc/01/57/60/547015760.db2.gz WZYCGDRRLSXXMZ-UHFFFAOYSA-N 1 1 357.248 2.218 20 10 FECDMO COc1ccc(O)c(C[NH+]2CCN(CCCOCC(F)(F)F)CC2)c1 ZINC000179858227 547021350 /nfs/dbraw/zinc/02/13/50/547021350.db2.gz TXARPSLJWFALOI-UHFFFAOYSA-N 1 1 362.392 2.487 20 10 FECDMO COc1cc(O)c(C[NH+]2CCN(Cc3cccc(O)c3)CC2)cc1OC ZINC000179973977 547034939 /nfs/dbraw/zinc/03/49/39/547034939.db2.gz OPYYYERNHHHLDO-UHFFFAOYSA-N 1 1 358.438 2.433 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)c3ccccn3)CC2)cc1 ZINC000182076658 547432988 /nfs/dbraw/zinc/43/29/88/547432988.db2.gz LXSOBIBKVMOTRV-MRXNPFEDSA-N 1 1 354.454 2.090 20 10 FECDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000182374687 547481027 /nfs/dbraw/zinc/48/10/27/547481027.db2.gz JSPSNTWLRKXWMT-UHFFFAOYSA-N 1 1 373.545 2.066 20 10 FECDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](C)O1 ZINC000194985105 548560279 /nfs/dbraw/zinc/56/02/79/548560279.db2.gz CXPYRZVOWQEHJU-HDICACEKSA-N 1 1 372.513 2.313 20 10 FECDMO C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H](C)O1 ZINC000194985105 548560284 /nfs/dbraw/zinc/56/02/84/548560284.db2.gz CXPYRZVOWQEHJU-HDICACEKSA-N 1 1 372.513 2.313 20 10 FECDMO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(C)n1-c1cccc(C)c1 ZINC000264807574 550001462 /nfs/dbraw/zinc/00/14/62/550001462.db2.gz XNCFJDVXZCMGCE-IBGZPJMESA-N 1 1 354.498 2.378 20 10 FECDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264806827 550001512 /nfs/dbraw/zinc/00/15/12/550001512.db2.gz VBTWYYLITPKBBH-FQEVSTJZSA-N 1 1 373.545 2.064 20 10 FECDMO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000268789599 550116419 /nfs/dbraw/zinc/11/64/19/550116419.db2.gz BLDSBADOHBEUDO-WAOWUJCRSA-N 1 1 360.546 2.136 20 10 FECDMO COc1ccc(N2CCN(CC[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)CC2)cc1 ZINC000268789599 550116422 /nfs/dbraw/zinc/11/64/22/550116422.db2.gz BLDSBADOHBEUDO-WAOWUJCRSA-N 1 1 360.546 2.136 20 10 FECDMO CC(C)(C)c1nc(CN2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC000271190615 550350885 /nfs/dbraw/zinc/35/08/85/550350885.db2.gz LMMBWBJDLOWPHW-UHFFFAOYSA-N 1 1 374.441 2.119 20 10 FECDMO COc1cc(N2CCN(c3[nH+]cnc4[nH]ccc43)CC2)cc(OC)c1OC ZINC000273523725 550501495 /nfs/dbraw/zinc/50/14/95/550501495.db2.gz XJHWOILQEZIPII-UHFFFAOYSA-N 1 1 369.425 2.310 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)c1O ZINC000273761553 550510607 /nfs/dbraw/zinc/51/06/07/550510607.db2.gz OZRDSRZJMSMXIP-OAHLLOKOSA-N 1 1 361.866 2.289 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278377359 550779230 /nfs/dbraw/zinc/77/92/30/550779230.db2.gz LFPAVNYRFJDAJK-JTQLQIEISA-N 1 1 355.391 2.312 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000278520241 550794857 /nfs/dbraw/zinc/79/48/57/550794857.db2.gz RWLWPOKKQLMKGB-DGCLKSJQSA-N 1 1 351.403 2.046 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278611837 550804117 /nfs/dbraw/zinc/80/41/17/550804117.db2.gz DVEXKGFXYAMQKG-LBPRGKRZSA-N 1 1 367.402 2.408 20 10 FECDMO CCCC[N@@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccccc1O ZINC000282518083 551241020 /nfs/dbraw/zinc/24/10/20/551241020.db2.gz STYGNFKDOBGORK-UHFFFAOYSA-N 1 1 362.470 2.406 20 10 FECDMO CC[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(F)cc1O ZINC000286288434 551870286 /nfs/dbraw/zinc/87/02/86/551870286.db2.gz WCWCTYYEAHNWLB-GOEBONIOSA-N 1 1 374.478 2.061 20 10 FECDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286356811 551878255 /nfs/dbraw/zinc/87/82/55/551878255.db2.gz HFWPVDRNKRUJLD-LJQANCHMSA-N 1 1 374.529 2.092 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000289273718 552293723 /nfs/dbraw/zinc/29/37/23/552293723.db2.gz GNKWEHWKYXXUKY-GHMZBOCLSA-N 1 1 364.320 2.302 20 10 FECDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000291166686 552595607 /nfs/dbraw/zinc/59/56/07/552595607.db2.gz YWNMFWPRYSJWMD-UHFFFAOYSA-N 1 1 373.545 2.088 20 10 FECDMO CN(CCCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1)CC[NH+](C)C ZINC000291166686 552595608 /nfs/dbraw/zinc/59/56/08/552595608.db2.gz YWNMFWPRYSJWMD-UHFFFAOYSA-N 1 1 373.545 2.088 20 10 FECDMO COCCC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000292857946 552765462 /nfs/dbraw/zinc/76/54/62/552765462.db2.gz REDIACIZBFRESF-KRWDZBQOSA-N 1 1 354.516 2.087 20 10 FECDMO COCCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000292857946 552765464 /nfs/dbraw/zinc/76/54/64/552765464.db2.gz REDIACIZBFRESF-KRWDZBQOSA-N 1 1 354.516 2.087 20 10 FECDMO COCCC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000294951384 552946872 /nfs/dbraw/zinc/94/68/72/552946872.db2.gz QEERCAWBBAFJEP-LBPRGKRZSA-N 1 1 365.854 2.210 20 10 FECDMO O=C(C[N@H+]1CCC[C@H]1C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000363384125 555091204 /nfs/dbraw/zinc/09/12/04/555091204.db2.gz GIKRSVTVGRUTLV-SFHVURJKSA-N 1 1 361.461 2.153 20 10 FECDMO COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)cc1F ZINC000364112665 555251754 /nfs/dbraw/zinc/25/17/54/555251754.db2.gz VFEVULQNYZZPJC-HZPDHXFCSA-N 1 1 361.461 2.357 20 10 FECDMO CCCN1CC[NH+](C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000364985155 555457184 /nfs/dbraw/zinc/45/71/84/555457184.db2.gz IQKKDBOTPPMSCD-GQCTYLIASA-N 1 1 373.497 2.130 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000365150912 555496066 /nfs/dbraw/zinc/49/60/66/555496066.db2.gz SPXONTFJDNULAB-LSDHHAIUSA-N 1 1 365.430 2.042 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000365150910 555496084 /nfs/dbraw/zinc/49/60/84/555496084.db2.gz SPXONTFJDNULAB-GJZGRUSLSA-N 1 1 365.430 2.042 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCOC3(CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000365829213 555677493 /nfs/dbraw/zinc/67/74/93/555677493.db2.gz WZTGTLBEVDQHKQ-UHFFFAOYSA-N 1 1 352.387 2.081 20 10 FECDMO COc1c(O)c(C[N@H+]2CCOC3(CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000365829213 555677495 /nfs/dbraw/zinc/67/74/95/555677495.db2.gz WZTGTLBEVDQHKQ-UHFFFAOYSA-N 1 1 352.387 2.081 20 10 FECDMO Cc1cccc(C[N@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)c1O ZINC000367817671 556146952 /nfs/dbraw/zinc/14/69/52/556146952.db2.gz FEFBCCJPKSVCMR-QGZVFWFLSA-N 1 1 351.406 2.354 20 10 FECDMO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)c1 ZINC000368052261 556204546 /nfs/dbraw/zinc/20/45/46/556204546.db2.gz UYLBTZLWKHVBCA-MRXNPFEDSA-N 1 1 351.406 2.385 20 10 FECDMO Cc1ccc(O)c(C[N@H+]2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)c1 ZINC000368052261 556204548 /nfs/dbraw/zinc/20/45/48/556204548.db2.gz UYLBTZLWKHVBCA-MRXNPFEDSA-N 1 1 351.406 2.385 20 10 FECDMO COc1cc(O)c(CN(C)C2CC[NH+](C3CCOCC3)CC2)cc1OC ZINC000371426964 557183351 /nfs/dbraw/zinc/18/33/51/557183351.db2.gz RTRXFMHZMYKINZ-UHFFFAOYSA-N 1 1 364.486 2.485 20 10 FECDMO CCOc1cccc(C[N@@H+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)c1O ZINC000372428743 557468265 /nfs/dbraw/zinc/46/82/65/557468265.db2.gz QOCOLGWTPHNJHZ-IYBDPMFKSA-N 1 1 372.469 2.300 20 10 FECDMO COC(=O)c1ccnc(N2CCC([NH2+]Cc3cccc(F)c3O)CC2)c1 ZINC000373128370 557634437 /nfs/dbraw/zinc/63/44/37/557634437.db2.gz VQNZQOONFJGVAR-UHFFFAOYSA-N 1 1 359.401 2.472 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c(O)c1 ZINC000375179174 557987922 /nfs/dbraw/zinc/98/79/22/557987922.db2.gz WLZFEELWCMSHJI-OAHLLOKOSA-N 1 1 374.441 2.396 20 10 FECDMO COc1cc(Cl)cc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000375202372 557991231 /nfs/dbraw/zinc/99/12/31/557991231.db2.gz QIPNCYXENDBEMS-INIZCTEOSA-N 1 1 353.894 2.266 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C(C)(C)C(N)=O)C1 ZINC000452628768 560369546 /nfs/dbraw/zinc/36/95/46/560369546.db2.gz SXUNLGDSEFVNAN-UHFFFAOYSA-N 1 1 370.497 2.130 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000808766309 674471478 /nfs/dbraw/zinc/47/14/78/674471478.db2.gz PTSLRCDONJELND-MRXNPFEDSA-N 1 1 351.516 2.046 20 10 FECDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2cc(OC)ccc2O)CC1 ZINC000809786207 674510026 /nfs/dbraw/zinc/51/00/26/674510026.db2.gz TXDJPNFGTPHGDO-CQSZACIVSA-N 1 1 370.515 2.283 20 10 FECDMO CN(CCC[N@H+](C)Cc1cc(Br)ccc1[O-])CC[NH+](C)C ZINC000809788334 674510256 /nfs/dbraw/zinc/51/02/56/674510256.db2.gz QXOITQNQOXPZSU-UHFFFAOYSA-N 1 1 358.324 2.470 20 10 FECDMO CN(CCC[N@@H+](C)Cc1cc(Br)ccc1[O-])CC[NH+](C)C ZINC000809788334 674510259 /nfs/dbraw/zinc/51/02/59/674510259.db2.gz QXOITQNQOXPZSU-UHFFFAOYSA-N 1 1 358.324 2.470 20 10 FECDMO O=C(NCCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(F)(F)F ZINC000091619272 670729669 /nfs/dbraw/zinc/72/96/69/670729669.db2.gz HXGPRTPLDYCNIX-CQSZACIVSA-N 1 1 360.376 2.442 20 10 FECDMO CN1CC[NH+](C[C@H](O)COc2ccc(N3CCCCC3)c(Cl)c2)CC1 ZINC000817570923 675148058 /nfs/dbraw/zinc/14/80/58/675148058.db2.gz JWRKRMLWHMOSLE-INIZCTEOSA-N 1 1 367.921 2.317 20 10 FECDMO CC(C)OCC[NH+]1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154654047 672220145 /nfs/dbraw/zinc/22/01/45/672220145.db2.gz LHHSGUVTBRDAMC-UHFFFAOYSA-N 1 1 372.560 2.378 20 10 FECDMO CCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161094117 672295627 /nfs/dbraw/zinc/29/56/27/672295627.db2.gz FGZUGACWGHEFDF-MRXNPFEDSA-N 1 1 370.490 2.061 20 10 FECDMO CCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161094117 672295628 /nfs/dbraw/zinc/29/56/28/672295628.db2.gz FGZUGACWGHEFDF-MRXNPFEDSA-N 1 1 370.490 2.061 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000742920409 673742068 /nfs/dbraw/zinc/74/20/68/673742068.db2.gz JNOYWFGMGXUGHZ-HNNXBMFYSA-N 1 1 372.296 2.127 20 10 FECDMO CN1C(=O)NCC12CC[NH+](Cc1cccc(Br)c1O)CC2 ZINC000822529738 675490905 /nfs/dbraw/zinc/49/09/05/675490905.db2.gz IEEKZIBJIDMOEI-UHFFFAOYSA-N 1 1 354.248 2.144 20 10 FECDMO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(Br)cc1O)CC2 ZINC000824888458 675627042 /nfs/dbraw/zinc/62/70/42/675627042.db2.gz DAFBVEHXBTYMLF-UHFFFAOYSA-N 1 1 364.243 2.290 20 10 FECDMO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc(Br)cc1O)CC2 ZINC000824888458 675627045 /nfs/dbraw/zinc/62/70/45/675627045.db2.gz DAFBVEHXBTYMLF-UHFFFAOYSA-N 1 1 364.243 2.290 20 10 FECDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715537 675665283 /nfs/dbraw/zinc/66/52/83/675665283.db2.gz ADUDIXOQSIXXQC-DOMZBBRYSA-N 1 1 374.275 2.001 20 10 FECDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(Br)cc1O ZINC000825885447 675672803 /nfs/dbraw/zinc/67/28/03/675672803.db2.gz GRCNAXRJIWDXOR-DOMZBBRYSA-N 1 1 355.276 2.450 20 10 FECDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828306205 675812042 /nfs/dbraw/zinc/81/20/42/675812042.db2.gz OWRHMBUUEUEJIR-GOSISDBHSA-N 1 1 365.543 2.499 20 10 FECDMO C[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C[N@H+]1C1CC1 ZINC000762097447 680740414 /nfs/dbraw/zinc/74/04/14/680740414.db2.gz TXYVAMWOZWKVLJ-IAQYHMDHSA-N 1 1 363.845 2.435 20 10 FECDMO Cc1cnn(C)c1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000839708767 680773497 /nfs/dbraw/zinc/77/34/97/680773497.db2.gz NCEJXFFLAGYOEX-HNNXBMFYSA-N 1 1 362.861 2.482 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000835026193 680286955 /nfs/dbraw/zinc/28/69/55/680286955.db2.gz RWXDMHSGCVEFPI-IPLHWJFFSA-N 1 1 351.516 2.170 20 10 FECDMO CCOc1ccc(C[N@H+]2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c(O)c1 ZINC000769003818 680967554 /nfs/dbraw/zinc/96/75/54/680967554.db2.gz GKPBBTGNFFREQN-HOCLYGCPSA-N 1 1 350.459 2.154 20 10 FECDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000844401744 681056669 /nfs/dbraw/zinc/05/66/69/681056669.db2.gz PLNFEAXLMCAHQM-OAHLLOKOSA-N 1 1 359.392 2.226 20 10 FECDMO Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000775712822 681326953 /nfs/dbraw/zinc/32/69/53/681326953.db2.gz JLLOSHXINFJEAO-NSHDSACASA-N 1 1 362.289 2.330 20 10 FECDMO COCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C[C@H](O)C(F)(F)F ZINC000848922081 681642238 /nfs/dbraw/zinc/64/22/38/681642238.db2.gz LWJNEAKRGMWMRT-LBPRGKRZSA-N 1 1 357.756 2.426 20 10 FECDMO COCC[N@H+](Cc1cc(Cl)cc(OC)c1O)C[C@H](O)C(F)(F)F ZINC000848922081 681642242 /nfs/dbraw/zinc/64/22/42/681642242.db2.gz LWJNEAKRGMWMRT-LBPRGKRZSA-N 1 1 357.756 2.426 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)c1 ZINC000850496503 681908392 /nfs/dbraw/zinc/90/83/92/681908392.db2.gz OOZAWSPTTBYRNS-WBNWAKSLSA-N 1 1 353.362 2.140 20 10 FECDMO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(=O)OC ZINC000790788476 682701725 /nfs/dbraw/zinc/70/17/25/682701725.db2.gz YUJAZIBLUZOXTB-GJZGRUSLSA-N 1 1 368.861 2.325 20 10 FECDMO COC(=O)[C@]12C[N@@H+](Cc3cc(Cl)cc(C(C)=O)c3O)C[C@H]1COCC2 ZINC000796520029 683167878 /nfs/dbraw/zinc/16/78/78/683167878.db2.gz LBUGATUTAWROAI-SCLBCKFNSA-N 1 1 367.829 2.260 20 10 FECDMO O=C(CCc1cn[nH]c1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000863897788 683785430 /nfs/dbraw/zinc/78/54/30/683785430.db2.gz VZKYYZDRCMCRIP-INIZCTEOSA-N 1 1 362.861 2.482 20 10 FECDMO C[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000925788570 684585803 /nfs/dbraw/zinc/58/58/03/684585803.db2.gz KEOKEZPQPHTBBD-VHSXEESVSA-N 1 1 367.298 2.126 20 10 FECDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)c2c1 ZINC000872797196 685017120 /nfs/dbraw/zinc/01/71/20/685017120.db2.gz XLUIBCFARKGKMP-GJZGRUSLSA-N 1 1 361.463 2.421 20 10 FECDMO O[C@H]([C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1)C(F)(F)F ZINC000877571646 686411983 /nfs/dbraw/zinc/41/19/83/686411983.db2.gz GVQRKFIJBIKUAV-RHSMWYFYSA-N 1 1 358.404 2.393 20 10 FECDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)CCC1(F)F ZINC000877695944 686439482 /nfs/dbraw/zinc/43/94/82/686439482.db2.gz HLPNOYZUXSSXMN-GFCCVEGCSA-N 1 1 359.369 2.430 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](O)CC2(O)CCOCC2)cc1 ZINC000877922825 686483195 /nfs/dbraw/zinc/48/31/95/686483195.db2.gz VPDFWMVKWQQJNC-IBGZPJMESA-N 1 1 350.503 2.257 20 10 FECDMO O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000882994502 687542134 /nfs/dbraw/zinc/54/21/34/687542134.db2.gz IWPZXZOUPGJESW-UHFFFAOYSA-N 1 1 370.368 2.024 20 10 FECDMO Cn1c(Cl)cnc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000886324843 688232229 /nfs/dbraw/zinc/23/22/29/688232229.db2.gz JFYGUUZDEVEKKR-UHFFFAOYSA-N 1 1 361.877 2.065 20 10 FECDMO COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c(O)c1OC ZINC000892113086 689152100 /nfs/dbraw/zinc/15/21/00/689152100.db2.gz VSMYQKITFHZZBG-UKRRQHHQSA-N 1 1 357.472 2.197 20 10 FECDMO COC(=O)c1c(C[N@@H+]2CCSC[C@@H]2CCO)c2cc(F)ccc2n1C ZINC000894087614 689463344 /nfs/dbraw/zinc/46/33/44/689463344.db2.gz FBIXEAJTIJPSQM-ZDUSSCGKSA-N 1 1 366.458 2.404 20 10 FECDMO COC(=O)c1c(C[N@H+]2CCSC[C@@H]2CCO)c2cc(F)ccc2n1C ZINC000894087614 689463349 /nfs/dbraw/zinc/46/33/49/689463349.db2.gz FBIXEAJTIJPSQM-ZDUSSCGKSA-N 1 1 366.458 2.404 20 10 FECDMO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000898400769 690176810 /nfs/dbraw/zinc/17/68/10/690176810.db2.gz GVKFZUVNEFRQBW-DEOSSOPVSA-N 1 1 361.458 2.457 20 10 FECDMO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000902523091 690774490 /nfs/dbraw/zinc/77/44/90/690774490.db2.gz IJCGUQHDAHNKFS-GFCCVEGCSA-N 1 1 364.467 2.128 20 10 FECDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054787081 540609932 /nfs/dbraw/zinc/60/99/32/540609932.db2.gz DWTJLPSBAKWSTB-QGZVFWFLSA-N 1 1 360.502 2.197 20 10 FECDMO C[NH+](C)[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000054786640 540609988 /nfs/dbraw/zinc/60/99/88/540609988.db2.gz LLMYQQDTXNJCTK-GOSISDBHSA-N 1 1 372.469 2.218 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000064402029 541204285 /nfs/dbraw/zinc/20/42/85/541204285.db2.gz DAUCJQAEDDGRCI-UHFFFAOYSA-N 1 1 373.526 2.038 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000064402029 541204288 /nfs/dbraw/zinc/20/42/88/541204288.db2.gz DAUCJQAEDDGRCI-UHFFFAOYSA-N 1 1 373.526 2.038 20 10 FECDMO CCCOc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(O)c1 ZINC000092044955 542841534 /nfs/dbraw/zinc/84/15/34/542841534.db2.gz DEVNZMQKKYCANN-KRWDZBQOSA-N 1 1 368.499 2.181 20 10 FECDMO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000093017476 542902911 /nfs/dbraw/zinc/90/29/11/542902911.db2.gz GRXPAKJEKCKPMT-HXUWFJFHSA-N 1 1 359.514 2.067 20 10 FECDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000093663791 542937626 /nfs/dbraw/zinc/93/76/26/542937626.db2.gz QKDXXKVRVJDFFW-ZDUSSCGKSA-N 1 1 355.276 2.309 20 10 FECDMO Cc1cc(Cl)cc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000802659013 674190733 /nfs/dbraw/zinc/19/07/33/674190733.db2.gz VOXIZSPWNZCQLV-UHFFFAOYSA-N 1 1 358.891 2.354 20 10 FECDMO Cc1cc(Cl)cc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000802659013 674190735 /nfs/dbraw/zinc/19/07/35/674190735.db2.gz VOXIZSPWNZCQLV-UHFFFAOYSA-N 1 1 358.891 2.354 20 10 FECDMO CC[N@@H+](CCNC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000805076065 674317401 /nfs/dbraw/zinc/31/74/01/674317401.db2.gz NIVNNFJZWIXEOJ-UHFFFAOYSA-N 1 1 356.264 2.438 20 10 FECDMO COCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805136435 674322186 /nfs/dbraw/zinc/32/21/86/674322186.db2.gz FOPDZZYQUBLZHC-LBPRGKRZSA-N 1 1 362.257 2.219 20 10 FECDMO COCC[N@H+]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805136435 674322188 /nfs/dbraw/zinc/32/21/88/674322188.db2.gz FOPDZZYQUBLZHC-LBPRGKRZSA-N 1 1 362.257 2.219 20 10 FECDMO COCCC[N@H+](C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805152709 674323477 /nfs/dbraw/zinc/32/34/77/674323477.db2.gz IYKLQWPQNOJGDG-UHFFFAOYSA-N 1 1 364.273 2.467 20 10 FECDMO COCCC[N@@H+](C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805152709 674323481 /nfs/dbraw/zinc/32/34/81/674323481.db2.gz IYKLQWPQNOJGDG-UHFFFAOYSA-N 1 1 364.273 2.467 20 10 FECDMO O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2N1 ZINC000161934294 546135603 /nfs/dbraw/zinc/13/56/03/546135603.db2.gz RGSJBMXEOBVJER-IUODEOHRSA-N 1 1 372.425 2.379 20 10 FECDMO Cc1cc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c(C)n1-c1ccccn1 ZINC000179751075 547007262 /nfs/dbraw/zinc/00/72/62/547007262.db2.gz BWFDKAOFMZYDFL-UHFFFAOYSA-N 1 1 370.497 2.408 20 10 FECDMO C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000180074055 547047928 /nfs/dbraw/zinc/04/79/28/547047928.db2.gz OEDBGYRIAWQLML-UHFFFAOYSA-N 1 1 365.905 2.422 20 10 FECDMO CC[N@H+](CCS(C)(=O)=O)Cc1cc(Br)cc(C)c1O ZINC000180575690 547134253 /nfs/dbraw/zinc/13/42/53/547134253.db2.gz SUWMLIMDPVVTQJ-UHFFFAOYSA-N 1 1 350.278 2.330 20 10 FECDMO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(Br)cc(C)c1O ZINC000180575690 547134258 /nfs/dbraw/zinc/13/42/58/547134258.db2.gz SUWMLIMDPVVTQJ-UHFFFAOYSA-N 1 1 350.278 2.330 20 10 FECDMO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000183863853 547731049 /nfs/dbraw/zinc/73/10/49/547731049.db2.gz QTQQUFZFWJJPHG-CQSZACIVSA-N 1 1 359.449 2.441 20 10 FECDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193150902 548381415 /nfs/dbraw/zinc/38/14/15/548381415.db2.gz NDYWYGGICPTYPA-UHFFFAOYSA-N 1 1 350.459 2.308 20 10 FECDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000267944206 550035909 /nfs/dbraw/zinc/03/59/09/550035909.db2.gz ANAVHUZUPLTVOQ-VQIMIIECSA-N 1 1 360.502 2.005 20 10 FECDMO COc1ccc(C[N@@H+](CCO)Cc2cc3c(cc2O)OCO3)c(OC)c1 ZINC000271174474 550348187 /nfs/dbraw/zinc/34/81/87/550348187.db2.gz JRLCONUNLSLLKB-UHFFFAOYSA-N 1 1 361.394 2.133 20 10 FECDMO CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3cc(F)ccc3O)CC2)n1 ZINC000272442188 550448491 /nfs/dbraw/zinc/44/84/91/550448491.db2.gz ORXCCIAWBXZDHY-CYBMUJFWSA-N 1 1 364.421 2.330 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c1 ZINC000273442960 550498921 /nfs/dbraw/zinc/49/89/21/550498921.db2.gz ZEAVKCRVILHNCU-CYBMUJFWSA-N 1 1 363.435 2.303 20 10 FECDMO CCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278296979 550770281 /nfs/dbraw/zinc/77/02/81/550770281.db2.gz VLDYTBPQJNPMRL-UHFFFAOYSA-N 1 1 351.403 2.047 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278611831 550804042 /nfs/dbraw/zinc/80/40/42/550804042.db2.gz DVEXKGFXYAMQKG-GFCCVEGCSA-N 1 1 367.402 2.408 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](CC(F)(F)F)C1)cc2=O ZINC000278723518 550815191 /nfs/dbraw/zinc/81/51/91/550815191.db2.gz KUQRLHIFYPSKHZ-SNVBAGLBSA-N 1 1 372.347 2.386 20 10 FECDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279008766 550846224 /nfs/dbraw/zinc/84/62/24/550846224.db2.gz LJUVWSROCRTEFQ-HXUWFJFHSA-N 1 1 357.498 2.138 20 10 FECDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000281381027 551090389 /nfs/dbraw/zinc/09/03/89/551090389.db2.gz WEGVFIFAEMTDMF-IBGZPJMESA-N 1 1 367.442 2.201 20 10 FECDMO CCCC[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccccc1O ZINC000282500318 551237916 /nfs/dbraw/zinc/23/79/16/551237916.db2.gz QUMDMWRFSMRLIE-UHFFFAOYSA-N 1 1 373.497 2.075 20 10 FECDMO O=S1(=O)CCC[C@@H](C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000283949853 551455822 /nfs/dbraw/zinc/45/58/22/551455822.db2.gz DKVRQZDUVINOMM-RDJZCZTQSA-N 1 1 353.484 2.198 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285616684 551783816 /nfs/dbraw/zinc/78/38/16/551783816.db2.gz QIHACTMNQZYCFC-KRWDZBQOSA-N 1 1 373.419 2.148 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285616684 551783818 /nfs/dbraw/zinc/78/38/18/551783818.db2.gz QIHACTMNQZYCFC-KRWDZBQOSA-N 1 1 373.419 2.148 20 10 FECDMO CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2cc(OCC)ccc2O)CC1 ZINC000294666605 552925103 /nfs/dbraw/zinc/92/51/03/552925103.db2.gz ANIAYZAEKPXUAX-VWLOTQADSA-N 1 1 369.483 2.067 20 10 FECDMO COC(=O)[C@@H]([N@H+](C)Cc1ccc(N2CCOCC2)cc1)C1(OC)CCC1 ZINC000297855346 553347777 /nfs/dbraw/zinc/34/77/77/553347777.db2.gz OVMPNEATEVVREW-GOSISDBHSA-N 1 1 362.470 2.066 20 10 FECDMO COC(=O)[C@@H]([N@@H+](C)Cc1ccc(N2CCOCC2)cc1)C1(OC)CCC1 ZINC000297855346 553347779 /nfs/dbraw/zinc/34/77/79/553347779.db2.gz OVMPNEATEVVREW-GOSISDBHSA-N 1 1 362.470 2.066 20 10 FECDMO Cc1nc(CN(C)[C@@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC000364675696 555371270 /nfs/dbraw/zinc/37/12/70/555371270.db2.gz TXVDAJUIMLNOAJ-OAHLLOKOSA-N 1 1 374.441 2.299 20 10 FECDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000365338936 555547847 /nfs/dbraw/zinc/54/78/47/555547847.db2.gz SHTRDQSZIAQXJI-BPQIPLTHSA-N 1 1 361.486 2.423 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCCc3occc3C1)cc2=O ZINC000367323165 556018478 /nfs/dbraw/zinc/01/84/78/556018478.db2.gz ZRMUXJCKWSPUDF-UHFFFAOYSA-N 1 1 356.382 2.153 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCc3occc3C1)cc2=O ZINC000367323165 556018480 /nfs/dbraw/zinc/01/84/80/556018480.db2.gz ZRMUXJCKWSPUDF-UHFFFAOYSA-N 1 1 356.382 2.153 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000370865209 556995158 /nfs/dbraw/zinc/99/51/58/556995158.db2.gz OOQBBTNCZHMPCQ-MISYRCLQSA-N 1 1 359.514 2.456 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000371525267 557209728 /nfs/dbraw/zinc/20/97/28/557209728.db2.gz LXMDHMMEQFEEOM-OAQYLSRUSA-N 1 1 371.456 2.101 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000371525267 557209733 /nfs/dbraw/zinc/20/97/33/557209733.db2.gz LXMDHMMEQFEEOM-OAQYLSRUSA-N 1 1 371.456 2.101 20 10 FECDMO C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000371554481 557220363 /nfs/dbraw/zinc/22/03/63/557220363.db2.gz QFLVPZFAXZXFEI-UYLUUYTCSA-N 1 1 355.482 2.089 20 10 FECDMO O=C(NCc1c[nH+]c2n1CCCC2)NCc1ccc(N2CCOCC2)cc1 ZINC000376630326 558200292 /nfs/dbraw/zinc/20/02/92/558200292.db2.gz ZSFFYLVVHMXFDV-UHFFFAOYSA-N 1 1 369.469 2.055 20 10 FECDMO CSCC[C@H]([NH2+]Cc1cccc(Br)c1O)C(=O)N(C)C ZINC000808438483 674459083 /nfs/dbraw/zinc/45/90/83/674459083.db2.gz FTYYTUCUOHBBKC-LBPRGKRZSA-N 1 1 361.305 2.454 20 10 FECDMO C[N@H+](Cc1cc(Br)ccc1O)CC(C)(C)S(C)(=O)=O ZINC000093772414 670755034 /nfs/dbraw/zinc/75/50/34/670755034.db2.gz MLCHUASVCJJPFE-UHFFFAOYSA-N 1 1 350.278 2.410 20 10 FECDMO C[N@@H+](Cc1cc(Br)ccc1O)CC(C)(C)S(C)(=O)=O ZINC000093772414 670755036 /nfs/dbraw/zinc/75/50/36/670755036.db2.gz MLCHUASVCJJPFE-UHFFFAOYSA-N 1 1 350.278 2.410 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCS[C@H](C)[C@@H]3C)CC2)cc1 ZINC000112643893 670874764 /nfs/dbraw/zinc/87/47/64/670874764.db2.gz QSCQTUCPGOTZEF-JKSUJKDBSA-N 1 1 363.527 2.170 20 10 FECDMO CCCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160769937 672293553 /nfs/dbraw/zinc/29/35/53/672293553.db2.gz ZWHLZHRXIYEYHK-IBGZPJMESA-N 1 1 366.527 2.312 20 10 FECDMO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000182307267 672443249 /nfs/dbraw/zinc/44/32/49/672443249.db2.gz MHEDCRZUOOYGME-MRXNPFEDSA-N 1 1 356.463 2.358 20 10 FECDMO O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000182307267 672443250 /nfs/dbraw/zinc/44/32/50/672443250.db2.gz MHEDCRZUOOYGME-MRXNPFEDSA-N 1 1 356.463 2.358 20 10 FECDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3=CC(=O)CS3)cc2)C1 ZINC000732283576 673361884 /nfs/dbraw/zinc/36/18/84/673361884.db2.gz OVEXNSBRJIIBPS-CYBMUJFWSA-N 1 1 359.451 2.403 20 10 FECDMO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000742804724 673738709 /nfs/dbraw/zinc/73/87/09/673738709.db2.gz AZUWBTKYEYFCAW-KGLIPLIRSA-N 1 1 353.413 2.325 20 10 FECDMO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000819688900 675309422 /nfs/dbraw/zinc/30/94/22/675309422.db2.gz OZEUAEPIXIDGOA-MRXNPFEDSA-N 1 1 358.511 2.275 20 10 FECDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC12COC2 ZINC000824489725 675606141 /nfs/dbraw/zinc/60/61/41/675606141.db2.gz QNUXMEKVTZPRGX-CYBMUJFWSA-N 1 1 370.243 2.166 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1Cl ZINC000824555199 675610113 /nfs/dbraw/zinc/61/01/13/675610113.db2.gz CKBRWOVVTUJVHO-UHFFFAOYSA-N 1 1 365.905 2.484 20 10 FECDMO [O-]c1cc(Br)ccc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000825284343 675645137 /nfs/dbraw/zinc/64/51/37/675645137.db2.gz YPFKELNNGLWKFO-HNNXBMFYSA-N 1 1 357.292 2.481 20 10 FECDMO [O-]c1cc(Br)ccc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000825284343 675645140 /nfs/dbraw/zinc/64/51/40/675645140.db2.gz YPFKELNNGLWKFO-HNNXBMFYSA-N 1 1 357.292 2.481 20 10 FECDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000825715539 675665332 /nfs/dbraw/zinc/66/53/32/675665332.db2.gz ADUDIXOQSIXXQC-SWLSCSKDSA-N 1 1 374.275 2.001 20 10 FECDMO COc1ccc(N2CCC[N@@H+](CC[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000760821368 680702209 /nfs/dbraw/zinc/70/22/09/680702209.db2.gz ZQJWZJXMCFTMGC-INIZCTEOSA-N 1 1 352.500 2.032 20 10 FECDMO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)nn1 ZINC000762793065 680761583 /nfs/dbraw/zinc/76/15/83/680761583.db2.gz CJGYWIIFJUETRR-LLVKDONJSA-N 1 1 350.806 2.261 20 10 FECDMO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCc2ccc(Br)cc21 ZINC000662457753 678623562 /nfs/dbraw/zinc/62/35/62/678623562.db2.gz MTBXWPOPDZBTMZ-LLVKDONJSA-N 1 1 361.243 2.452 20 10 FECDMO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840141725 680801771 /nfs/dbraw/zinc/80/17/71/680801771.db2.gz XEQFPVULUIQBPL-NHYWBVRUSA-N 1 1 360.376 2.134 20 10 FECDMO Cc1cc([O-])c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1 ZINC000841070312 680861853 /nfs/dbraw/zinc/86/18/53/680861853.db2.gz NEMPBUNMJJNBJT-AWEZNQCLSA-N 1 1 351.800 2.280 20 10 FECDMO Nc1ccc(Cc2nc(C(=O)OCCC[NH+]3CCOCC3)cs2)cc1 ZINC000751946441 680211534 /nfs/dbraw/zinc/21/15/34/680211534.db2.gz ZVNIJWSMPWKQBQ-UHFFFAOYSA-N 1 1 361.467 2.195 20 10 FECDMO COCCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000835024644 680286472 /nfs/dbraw/zinc/28/64/72/680286472.db2.gz ACJMIOFTBNNWGR-GJEJWFRCSA-N 1 1 366.527 2.291 20 10 FECDMO COCCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000835024644 680286473 /nfs/dbraw/zinc/28/64/73/680286473.db2.gz ACJMIOFTBNNWGR-GJEJWFRCSA-N 1 1 366.527 2.291 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000756780394 680497669 /nfs/dbraw/zinc/49/76/69/680497669.db2.gz TWPYWWQUBYQFRM-LBPRGKRZSA-N 1 1 355.456 2.044 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058793 680985052 /nfs/dbraw/zinc/98/50/52/680985052.db2.gz YJUVUDDPEKTRSV-RHSMWYFYSA-N 1 1 365.905 2.434 20 10 FECDMO Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058793 680985053 /nfs/dbraw/zinc/98/50/53/680985053.db2.gz YJUVUDDPEKTRSV-RHSMWYFYSA-N 1 1 365.905 2.434 20 10 FECDMO Cc1cc([O-])c(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058793 680985054 /nfs/dbraw/zinc/98/50/54/680985054.db2.gz YJUVUDDPEKTRSV-RHSMWYFYSA-N 1 1 365.905 2.434 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2CS(=O)(=O)NC)cc1F ZINC000769534537 680986134 /nfs/dbraw/zinc/98/61/34/680986134.db2.gz VQPDRPPRGWVCCY-OAHLLOKOSA-N 1 1 357.495 2.186 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2CS(=O)(=O)NC)cc1F ZINC000769534537 680986135 /nfs/dbraw/zinc/98/61/35/680986135.db2.gz VQPDRPPRGWVCCY-OAHLLOKOSA-N 1 1 357.495 2.186 20 10 FECDMO C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1cc(Br)ccc1O ZINC000769989942 681002227 /nfs/dbraw/zinc/00/22/27/681002227.db2.gz SCSDAQDXOONBSQ-SECBINFHSA-N 1 1 352.236 2.402 20 10 FECDMO Cc1cnn(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000771053542 681039242 /nfs/dbraw/zinc/03/92/42/681039242.db2.gz OBLWYQQBOJOCFP-MRXNPFEDSA-N 1 1 362.861 2.331 20 10 FECDMO CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771054686 681039609 /nfs/dbraw/zinc/03/96/09/681039609.db2.gz VKAYLDABBAMSPR-SWLSCSKDSA-N 1 1 367.877 2.041 20 10 FECDMO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1nccs1 ZINC000772456648 681098450 /nfs/dbraw/zinc/09/84/50/681098450.db2.gz SSZNHIYWJBCFLF-CYBMUJFWSA-N 1 1 351.497 2.229 20 10 FECDMO COC(=O)N1CC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000773070142 681124418 /nfs/dbraw/zinc/12/44/18/681124418.db2.gz FZUHVWOXBPXMRH-GFCCVEGCSA-N 1 1 353.850 2.278 20 10 FECDMO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cccc(Br)c1O ZINC000776520193 681398691 /nfs/dbraw/zinc/39/86/91/681398691.db2.gz JSUZSEAQVDPEIA-HNNXBMFYSA-N 1 1 360.248 2.337 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000848557138 681577607 /nfs/dbraw/zinc/57/76/07/681577607.db2.gz FMUHWYCBUVZZNW-APIJFGDWSA-N 1 1 350.459 2.327 20 10 FECDMO CC[N@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849271486 681674829 /nfs/dbraw/zinc/67/48/29/681674829.db2.gz LEWTWCSZWDNSPB-WBVHZDCISA-N 1 1 362.543 2.222 20 10 FECDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000849605802 681763328 /nfs/dbraw/zinc/76/33/28/681763328.db2.gz JXJAJWWGDZHYTB-HZPDHXFCSA-N 1 1 362.861 2.131 20 10 FECDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000793231827 682874296 /nfs/dbraw/zinc/87/42/96/682874296.db2.gz RAEWCBSGDCDOQZ-DNVCBOLYSA-N 1 1 350.434 2.042 20 10 FECDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(N3CCOCC3)c(F)c1)CCO2 ZINC000793231827 682874298 /nfs/dbraw/zinc/87/42/98/682874298.db2.gz RAEWCBSGDCDOQZ-DNVCBOLYSA-N 1 1 350.434 2.042 20 10 FECDMO Cc1cc(Br)cc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1O ZINC000793591835 682898082 /nfs/dbraw/zinc/89/80/82/682898082.db2.gz RJIZVHHNHOCNBZ-OLZOCXBDSA-N 1 1 357.292 2.350 20 10 FECDMO CCO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)CN(C)C ZINC000926966622 683190344 /nfs/dbraw/zinc/19/03/44/683190344.db2.gz XOWAREJOVVUUPC-DOTOQJQBSA-N 1 1 353.482 2.280 20 10 FECDMO CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000922405313 683716203 /nfs/dbraw/zinc/71/62/03/683716203.db2.gz VLWAMZYMZXSSSV-HZMBPMFUSA-N 1 1 352.385 2.396 20 10 FECDMO Cc1cc([O-])c(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c(Cl)c1 ZINC000863643703 683756619 /nfs/dbraw/zinc/75/66/19/683756619.db2.gz TUZWHENZRKSABW-WBVHZDCISA-N 1 1 365.861 2.111 20 10 FECDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3csc(Cc4ccc(N)cc4)n3)CC[C@H]21 ZINC000870982227 684777621 /nfs/dbraw/zinc/77/76/21/684777621.db2.gz MABOKEGZLZYEIK-RHSMWYFYSA-N 1 1 356.495 2.482 20 10 FECDMO CCOC1CC(C[NH2+]Cc2cc(F)cc(F)c2O)(N2CCOCC2)C1 ZINC000883105139 687566323 /nfs/dbraw/zinc/56/63/23/687566323.db2.gz YXWQELBWNVWVKI-UHFFFAOYSA-N 1 1 356.413 2.030 20 10 FECDMO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000883195862 687585687 /nfs/dbraw/zinc/58/56/87/687585687.db2.gz DWMIHCRIINOIEU-HUUCEWRRSA-N 1 1 360.426 2.153 20 10 FECDMO CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886648329 688286454 /nfs/dbraw/zinc/28/64/54/688286454.db2.gz QHTHFXBUXULJOF-GFCCVEGCSA-N 1 1 352.431 2.333 20 10 FECDMO C[NH+](C)CCn1nccc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000908211344 691638583 /nfs/dbraw/zinc/63/85/83/691638583.db2.gz HSXJNZJGAKJXCW-UHFFFAOYSA-N 1 1 357.241 2.387 20 10 FECDMO O=C(c1ccccc1)N1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000029889537 539867377 /nfs/dbraw/zinc/86/73/77/539867377.db2.gz DCDSAVIXHAMAEA-UHFFFAOYSA-N 1 1 354.406 2.469 20 10 FECDMO CCC[N@@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1ccccc1O ZINC000068973641 541645686 /nfs/dbraw/zinc/64/56/86/541645686.db2.gz NRNSKTQCWPFYLG-MRXNPFEDSA-N 1 1 361.486 2.121 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1c1cccn1C)cc2=O ZINC000076612845 542300840 /nfs/dbraw/zinc/30/08/40/542300840.db2.gz JZYRQQWAQJQBLA-MRXNPFEDSA-N 1 1 369.425 2.287 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1c1cccn1C)cc2=O ZINC000076612845 542300843 /nfs/dbraw/zinc/30/08/43/542300843.db2.gz JZYRQQWAQJQBLA-MRXNPFEDSA-N 1 1 369.425 2.287 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1 ZINC000092673190 542880537 /nfs/dbraw/zinc/88/05/37/542880537.db2.gz UCQFFMXZQKRITF-MRXNPFEDSA-N 1 1 350.484 2.331 20 10 FECDMO C[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CC[NH+](C)CC1 ZINC000108453760 543290491 /nfs/dbraw/zinc/29/04/91/543290491.db2.gz PNMALPAEOCYXNP-GOSISDBHSA-N 1 1 358.530 2.175 20 10 FECDMO C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000124586470 543830973 /nfs/dbraw/zinc/83/09/73/543830973.db2.gz LOZMJZCDJZSVCA-NSSMGOSVSA-N 1 1 357.498 2.478 20 10 FECDMO C[C@H]1C[C@H](N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC[N@H+]1C ZINC000124585980 543831195 /nfs/dbraw/zinc/83/11/95/543831195.db2.gz LOZMJZCDJZSVCA-JMPQJKKYSA-N 1 1 357.498 2.478 20 10 FECDMO O=C(NCc1cc(Br)ccc1O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000805137353 674322051 /nfs/dbraw/zinc/32/20/51/674322051.db2.gz OIAMAPNOKWUGHU-AWEZNQCLSA-N 1 1 368.275 2.438 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)CCc1cccs1)cc2=O ZINC000173759446 546286612 /nfs/dbraw/zinc/28/66/12/546286612.db2.gz ILNKVNAKGIANEI-UHFFFAOYSA-N 1 1 360.439 2.348 20 10 FECDMO CC[N@@H+](CC(=O)Nc1nncs1)Cc1cc(Br)ccc1O ZINC000173993012 546289772 /nfs/dbraw/zinc/28/97/72/546289772.db2.gz YBGHVUCXPRCBRP-UHFFFAOYSA-N 1 1 371.260 2.467 20 10 FECDMO CC[N@@H+](CC(=O)NC[C@H]1CCCO1)Cc1cc(Br)ccc1O ZINC000174422970 546296131 /nfs/dbraw/zinc/29/61/31/546296131.db2.gz UWKJVPUQPXQFGG-CQSZACIVSA-N 1 1 371.275 2.272 20 10 FECDMO CC(C)[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000183434127 547657944 /nfs/dbraw/zinc/65/79/44/547657944.db2.gz WDQQQQYSECEIES-XLPNERPQSA-N 1 1 364.486 2.279 20 10 FECDMO C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(Br)cc1[O-] ZINC000185365879 547975507 /nfs/dbraw/zinc/97/55/07/547975507.db2.gz AXCGPUFSFVHBEK-QWHCGFSZSA-N 1 1 356.308 2.441 20 10 FECDMO C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(F)cc1O ZINC000186025783 548074106 /nfs/dbraw/zinc/07/41/06/548074106.db2.gz JQHFNHVEXCPJMD-JTQLQIEISA-N 1 1 366.405 2.446 20 10 FECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[NH+]1CCSCC1 ZINC000264831710 550002146 /nfs/dbraw/zinc/00/21/46/550002146.db2.gz FGXVYYGVTQHPCP-UHFFFAOYSA-N 1 1 350.532 2.333 20 10 FECDMO CCC(C)(C)[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000265198054 550007157 /nfs/dbraw/zinc/00/71/57/550007157.db2.gz JMNHXOBKMCNHAI-UHFFFAOYSA-N 1 1 351.466 2.399 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@H](C)CCSC)cc2=O ZINC000265515328 550010662 /nfs/dbraw/zinc/01/06/62/550010662.db2.gz QHQGQDDFAMDHNL-LLVKDONJSA-N 1 1 352.460 2.185 20 10 FECDMO COCC[N@@H+](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266849194 550024598 /nfs/dbraw/zinc/02/45/98/550024598.db2.gz QFBMNSVBAXNDFH-UHFFFAOYSA-N 1 1 350.507 2.251 20 10 FECDMO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cc3c(cc2O)OCO3)c1 ZINC000271195781 550351237 /nfs/dbraw/zinc/35/12/37/550351237.db2.gz RIQBJJXDPHVYAH-UHFFFAOYSA-N 1 1 361.394 2.133 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000273432770 550498247 /nfs/dbraw/zinc/49/82/47/550498247.db2.gz WGWNTVHVGDZUSE-CYBMUJFWSA-N 1 1 358.442 2.390 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000273476808 550499872 /nfs/dbraw/zinc/49/98/72/550499872.db2.gz LAKDOEDIHJJPDH-AXHNFQJDSA-N 1 1 359.422 2.314 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000278110304 550750447 /nfs/dbraw/zinc/75/04/47/550750447.db2.gz AEDGYVPQLNXVBC-XJKSGUPXSA-N 1 1 362.386 2.052 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278168005 550756604 /nfs/dbraw/zinc/75/66/04/550756604.db2.gz AVWNQOXZFVFRIJ-UKRRQHHQSA-N 1 1 358.442 2.232 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000278238639 550764080 /nfs/dbraw/zinc/76/40/80/550764080.db2.gz NOSZZTFHFJUVAC-AWEZNQCLSA-N 1 1 363.414 2.047 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000278238639 550764081 /nfs/dbraw/zinc/76/40/81/550764081.db2.gz NOSZZTFHFJUVAC-AWEZNQCLSA-N 1 1 363.414 2.047 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCSC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000278501773 550793203 /nfs/dbraw/zinc/79/32/03/550793203.db2.gz NZVCSAFQVFNIED-UHFFFAOYSA-N 1 1 354.428 2.407 20 10 FECDMO COc1c(O)c(C[N@H+]2CCSC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000278501773 550793204 /nfs/dbraw/zinc/79/32/04/550793204.db2.gz NZVCSAFQVFNIED-UHFFFAOYSA-N 1 1 354.428 2.407 20 10 FECDMO COc1c(O)c(CNc2ccc(N3CCOCC3)[nH+]c2C)ccc1[N+](=O)[O-] ZINC000278508610 550793672 /nfs/dbraw/zinc/79/36/72/550793672.db2.gz PJUJMESGOZVUJY-UHFFFAOYSA-N 1 1 374.397 2.461 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC=C(c3ccnn3C)CC2)cc1 ZINC000285733582 551802903 /nfs/dbraw/zinc/80/29/03/551802903.db2.gz VJHISITVGHTQRJ-UHFFFAOYSA-N 1 1 367.497 2.234 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC=C(c3ccnn3C)CC2)cc1 ZINC000285733582 551802905 /nfs/dbraw/zinc/80/29/05/551802905.db2.gz VJHISITVGHTQRJ-UHFFFAOYSA-N 1 1 367.497 2.234 20 10 FECDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000289570210 552341938 /nfs/dbraw/zinc/34/19/38/552341938.db2.gz JLXYLMKHJGRLSH-GUYCJALGSA-N 1 1 351.834 2.307 20 10 FECDMO CCOc1cccc(C[NH+]2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1O ZINC000289791867 552379475 /nfs/dbraw/zinc/37/94/75/552379475.db2.gz MADPTLBJJTYYIO-IBGZPJMESA-N 1 1 369.465 2.135 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(Cn1c[nH+]c3c1C[C@H](C)[C@H](C)C3)cc2=O ZINC000295225310 552972274 /nfs/dbraw/zinc/97/22/74/552972274.db2.gz WFPGNERPUPGTMP-NEPJUHHUSA-N 1 1 369.425 2.227 20 10 FECDMO CCNC(=O)N1CC[NH+](Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296647673 553192796 /nfs/dbraw/zinc/19/27/96/553192796.db2.gz XDBBJNKDWTYINO-UHFFFAOYSA-N 1 1 360.502 2.149 20 10 FECDMO O=C1[C@@H]([N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCN1C1CCOCC1 ZINC000363473058 555114184 /nfs/dbraw/zinc/11/41/84/555114184.db2.gz XTWLQQCXANBEQQ-MOPGFXCFSA-N 1 1 374.481 2.153 20 10 FECDMO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000369026887 556480677 /nfs/dbraw/zinc/48/06/77/556480677.db2.gz JRPIOGGJTGVAJB-RBUKOAKNSA-N 1 1 360.502 2.195 20 10 FECDMO COc1ccc(O)c(CNC(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)c1 ZINC000370191655 556806517 /nfs/dbraw/zinc/80/65/17/556806517.db2.gz DQZNNKUASTTYAV-HXUWFJFHSA-N 1 1 356.422 2.257 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000371314743 557143186 /nfs/dbraw/zinc/14/31/86/557143186.db2.gz OGNYFSKWTOOGBX-UHFFFAOYSA-N 1 1 363.502 2.213 20 10 FECDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000374805373 557934102 /nfs/dbraw/zinc/93/41/02/557934102.db2.gz IOQBDQACLRZZDY-LNPHQHDRSA-N 1 1 360.454 2.117 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCc1c[nH+]c2n1CCCC2 ZINC000375391049 558019841 /nfs/dbraw/zinc/01/98/41/558019841.db2.gz LYRONZFJIFREQC-RMKNXTFCSA-N 1 1 366.465 2.386 20 10 FECDMO CCCOc1ccc(C[N@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)c(O)c1 ZINC000375978395 558108416 /nfs/dbraw/zinc/10/84/16/558108416.db2.gz YUUPEIKGOCPHMR-INIZCTEOSA-N 1 1 371.485 2.260 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000377304434 558310793 /nfs/dbraw/zinc/31/07/93/558310793.db2.gz AELHBIUGWIEUKQ-ZDUSSCGKSA-N 1 1 360.414 2.497 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000377304434 558310794 /nfs/dbraw/zinc/31/07/94/558310794.db2.gz AELHBIUGWIEUKQ-ZDUSSCGKSA-N 1 1 360.414 2.497 20 10 FECDMO CCN1CCN(c2ccc(CNC(=O)C34CCC[NH+]3CCC4)cc2F)CC1 ZINC000377956737 558451523 /nfs/dbraw/zinc/45/15/23/558451523.db2.gz MKWNREBTTOTVCV-UHFFFAOYSA-N 1 1 374.504 2.212 20 10 FECDMO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3cccc(F)c3O)CC2)C[C@H](C)O1 ZINC000378498469 558570013 /nfs/dbraw/zinc/57/00/13/558570013.db2.gz SIVTWOQGWOYMRM-OKILXGFUSA-N 1 1 350.434 2.379 20 10 FECDMO CC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)NC ZINC000457043326 560545357 /nfs/dbraw/zinc/54/53/57/560545357.db2.gz IEAHOLVRITVQSC-KRWDZBQOSA-N 1 1 370.497 2.049 20 10 FECDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCc2ccccc2O)cc1 ZINC000528178771 562317617 /nfs/dbraw/zinc/31/76/17/562317617.db2.gz LGPXWTNYMSHBFK-QGZVFWFLSA-N 1 1 355.438 2.475 20 10 FECDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCc2ccccc2O)cc1 ZINC000528178771 562317618 /nfs/dbraw/zinc/31/76/18/562317618.db2.gz LGPXWTNYMSHBFK-QGZVFWFLSA-N 1 1 355.438 2.475 20 10 FECDMO C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(Br)c1[O-] ZINC000809742736 674508369 /nfs/dbraw/zinc/50/83/69/674508369.db2.gz IARPHOIOCLYONG-UHFFFAOYSA-N 1 1 356.308 2.224 20 10 FECDMO Fc1cc(C[N@H+]2CCCN(CC(F)F)CC2)ccc1N1CCOCC1 ZINC000809757954 674508914 /nfs/dbraw/zinc/50/89/14/674508914.db2.gz XJCGNVYFBZORII-UHFFFAOYSA-N 1 1 357.420 2.435 20 10 FECDMO Fc1cc(C[N@@H+]2CCCN(CC(F)F)CC2)ccc1N1CCOCC1 ZINC000809757954 674508915 /nfs/dbraw/zinc/50/89/15/674508915.db2.gz XJCGNVYFBZORII-UHFFFAOYSA-N 1 1 357.420 2.435 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1C(C)C ZINC000811791315 674628069 /nfs/dbraw/zinc/62/80/69/674628069.db2.gz VFVGVSMUQWBFDN-UHFFFAOYSA-N 1 1 369.531 2.138 20 10 FECDMO CCn1nncc1C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000815835431 674976384 /nfs/dbraw/zinc/97/63/84/674976384.db2.gz TVQJSBIRJDIOAB-AWEZNQCLSA-N 1 1 363.849 2.051 20 10 FECDMO CCn1nncc1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000815835431 674976390 /nfs/dbraw/zinc/97/63/90/674976390.db2.gz TVQJSBIRJDIOAB-AWEZNQCLSA-N 1 1 363.849 2.051 20 10 FECDMO OCc1cn([C@@H]2CCC[N@H+](Cc3cccc(Br)c3O)C2)nn1 ZINC000816641715 675069988 /nfs/dbraw/zinc/06/99/88/675069988.db2.gz CVGWQCMWQQBAQJ-CYBMUJFWSA-N 1 1 367.247 2.076 20 10 FECDMO OCc1cn([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3O)C2)nn1 ZINC000816641715 675069989 /nfs/dbraw/zinc/06/99/89/675069989.db2.gz CVGWQCMWQQBAQJ-CYBMUJFWSA-N 1 1 367.247 2.076 20 10 FECDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000121000639 671940287 /nfs/dbraw/zinc/94/02/87/671940287.db2.gz GXTMSWZGLSFZIX-HNNXBMFYSA-N 1 1 371.275 2.224 20 10 FECDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000121000639 671940290 /nfs/dbraw/zinc/94/02/90/671940290.db2.gz GXTMSWZGLSFZIX-HNNXBMFYSA-N 1 1 371.275 2.224 20 10 FECDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCCSc2nccs2)C1 ZINC000177732429 672385968 /nfs/dbraw/zinc/38/59/68/672385968.db2.gz XUGJTYRBUCQUIE-CQSZACIVSA-N 1 1 372.560 2.281 20 10 FECDMO COc1cc(C[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000182959317 672457072 /nfs/dbraw/zinc/45/70/72/672457072.db2.gz PZBBDQNAZKGURO-ZDUSSCGKSA-N 1 1 370.515 2.164 20 10 FECDMO COc1cc(C[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000182959317 672457074 /nfs/dbraw/zinc/45/70/74/672457074.db2.gz PZBBDQNAZKGURO-ZDUSSCGKSA-N 1 1 370.515 2.164 20 10 FECDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000827545038 675763898 /nfs/dbraw/zinc/76/38/98/675763898.db2.gz RLAXYEJDOHQEJK-ZDUSSCGKSA-N 1 1 356.264 2.342 20 10 FECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000840945385 680855708 /nfs/dbraw/zinc/85/57/08/680855708.db2.gz MBHGNHQSMYNNGT-INIZCTEOSA-N 1 1 365.543 2.355 20 10 FECDMO [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3[O-])C2)nn1 ZINC000841098930 680863266 /nfs/dbraw/zinc/86/32/66/680863266.db2.gz AGZQODUQHOJOEA-CYBMUJFWSA-N 1 1 366.263 2.042 20 10 FECDMO C[C@@]1(F)C[NH2+]CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000841706192 680908203 /nfs/dbraw/zinc/90/82/03/680908203.db2.gz CVPDBDPDHBUOHA-GOSISDBHSA-N 1 1 366.506 2.083 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)cc1F ZINC000769426428 680982578 /nfs/dbraw/zinc/98/25/78/680982578.db2.gz AKUYETYRPVREIP-OAHLLOKOSA-N 1 1 357.495 2.186 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)cc1F ZINC000769426428 680982579 /nfs/dbraw/zinc/98/25/79/680982579.db2.gz AKUYETYRPVREIP-OAHLLOKOSA-N 1 1 357.495 2.186 20 10 FECDMO C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(Br)cc1O ZINC000769989193 681002281 /nfs/dbraw/zinc/00/22/81/681002281.db2.gz QEASZOMVRGPQBK-VIFPVBQESA-N 1 1 352.236 2.402 20 10 FECDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000775644600 681320941 /nfs/dbraw/zinc/32/09/41/681320941.db2.gz QEODNFFDDVEYMW-LBPRGKRZSA-N 1 1 350.440 2.241 20 10 FECDMO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(C)cc(Br)c1O ZINC000776812540 681438247 /nfs/dbraw/zinc/43/82/47/681438247.db2.gz KAQXQSMHCNWGKK-CABCVRRESA-N 1 1 374.275 2.373 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000848557140 681577548 /nfs/dbraw/zinc/57/75/48/681577548.db2.gz FMUHWYCBUVZZNW-KBXIAJHMSA-N 1 1 350.459 2.327 20 10 FECDMO CCc1cccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000848910851 681641965 /nfs/dbraw/zinc/64/19/65/681641965.db2.gz AGXFNDWUCLAIII-AWEZNQCLSA-N 1 1 352.500 2.248 20 10 FECDMO CCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000934941352 681661725 /nfs/dbraw/zinc/66/17/25/681661725.db2.gz WVFPEXICLDFCQO-CQSZACIVSA-N 1 1 363.849 2.051 20 10 FECDMO CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000934941352 681661727 /nfs/dbraw/zinc/66/17/27/681661727.db2.gz WVFPEXICLDFCQO-CQSZACIVSA-N 1 1 363.849 2.051 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000781353489 681926068 /nfs/dbraw/zinc/92/60/68/681926068.db2.gz KTXHPPVIKXNXHY-MRXNPFEDSA-N 1 1 355.429 2.415 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000781353489 681926074 /nfs/dbraw/zinc/92/60/74/681926074.db2.gz KTXHPPVIKXNXHY-MRXNPFEDSA-N 1 1 355.429 2.415 20 10 FECDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000917025814 685529185 /nfs/dbraw/zinc/52/91/85/685529185.db2.gz PXAPVHJSAFNJIG-HNNXBMFYSA-N 1 1 351.466 2.255 20 10 FECDMO Cn1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c(Cl)n1 ZINC000856767370 682808066 /nfs/dbraw/zinc/80/80/66/682808066.db2.gz LVSVOAPYRMPFNT-UHFFFAOYSA-N 1 1 352.841 2.464 20 10 FECDMO COc1cc(Br)cc(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1O ZINC000793590701 682897612 /nfs/dbraw/zinc/89/76/12/682897612.db2.gz ODFSARBCVRTRMR-RYUDHWBXSA-N 1 1 373.291 2.050 20 10 FECDMO Cn1cc(N2CC[NH+](Cc3c(O)cccc3Br)CC2)cn1 ZINC000862245720 683557988 /nfs/dbraw/zinc/55/79/88/683557988.db2.gz VQPACIBQHBYGFZ-UHFFFAOYSA-N 1 1 351.248 2.210 20 10 FECDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c(O)cccc1Br ZINC000862364643 683577623 /nfs/dbraw/zinc/57/76/23/683577623.db2.gz FSNFHMAKJASFQC-OLZOCXBDSA-N 1 1 355.276 2.450 20 10 FECDMO C[N@@H+](CCS(N)(=O)=O)Cc1c(O)ccc2cc(Br)ccc21 ZINC000872823502 685020933 /nfs/dbraw/zinc/02/09/33/685020933.db2.gz VTWHABXLTZPGDF-UHFFFAOYSA-N 1 1 373.272 2.028 20 10 FECDMO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876734963 686256776 /nfs/dbraw/zinc/25/67/76/686256776.db2.gz BBVUNOKFYUDAQS-HNNXBMFYSA-N 1 1 366.527 2.045 20 10 FECDMO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876734963 686256779 /nfs/dbraw/zinc/25/67/79/686256779.db2.gz BBVUNOKFYUDAQS-HNNXBMFYSA-N 1 1 366.527 2.045 20 10 FECDMO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1c(O)cccc1F ZINC000886554729 688273902 /nfs/dbraw/zinc/27/39/02/688273902.db2.gz BBLHDQGBOBIATP-QWRGUYRKSA-N 1 1 359.444 2.078 20 10 FECDMO C[C@@H]1C[N@H+](CCCNC(=O)NCc2cccc(Cl)c2O)C[C@H](C)O1 ZINC000891728279 689098068 /nfs/dbraw/zinc/09/80/68/689098068.db2.gz MJYBOWDEXKQAHU-BETUJISGSA-N 1 1 355.866 2.344 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CCC(S(C)(=O)=O)CC2)c1 ZINC000903153355 690857102 /nfs/dbraw/zinc/85/71/02/690857102.db2.gz FPWHEAVRWLITDS-OPFPJEHXSA-N 1 1 369.483 2.433 20 10 FECDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(Br)ccc1O ZINC000093420072 542931424 /nfs/dbraw/zinc/93/14/24/542931424.db2.gz CXRYMYKROWGJSR-ZJUUUORDSA-N 1 1 350.278 2.408 20 10 FECDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000093420072 542931426 /nfs/dbraw/zinc/93/14/26/542931426.db2.gz CXRYMYKROWGJSR-ZJUUUORDSA-N 1 1 350.278 2.408 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)CS(C)(=O)=O ZINC000093389941 542930226 /nfs/dbraw/zinc/93/02/26/542930226.db2.gz FFPMGRSCZFWAAN-JTQLQIEISA-N 1 1 350.278 2.410 20 10 FECDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)CS(C)(=O)=O ZINC000093389941 542930229 /nfs/dbraw/zinc/93/02/29/542930229.db2.gz FFPMGRSCZFWAAN-JTQLQIEISA-N 1 1 350.278 2.410 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000123813846 543784822 /nfs/dbraw/zinc/78/48/22/543784822.db2.gz YVJGRYHPZGDSJC-SFHVURJKSA-N 1 1 369.513 2.057 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000125585204 543890629 /nfs/dbraw/zinc/89/06/29/543890629.db2.gz OOQBBTNCZHMPCQ-SXLOBPIMSA-N 1 1 359.514 2.456 20 10 FECDMO CCOCCOCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261808 544300763 /nfs/dbraw/zinc/30/07/63/544300763.db2.gz LEBBTPGZZBHOLC-INIZCTEOSA-N 1 1 370.877 2.179 20 10 FECDMO Nc1ccc(CCNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000152518465 544663723 /nfs/dbraw/zinc/66/37/23/544663723.db2.gz HANMYNHFBLWAQX-FQEVSTJZSA-N 1 1 353.466 2.219 20 10 FECDMO Nc1ccc(CCNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000152518465 544663728 /nfs/dbraw/zinc/66/37/28/544663728.db2.gz HANMYNHFBLWAQX-FQEVSTJZSA-N 1 1 353.466 2.219 20 10 FECDMO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000152622192 544675766 /nfs/dbraw/zinc/67/57/66/544675766.db2.gz WEYURGRJIJBUAL-WOJBJXKFSA-N 1 1 370.497 2.115 20 10 FECDMO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000152622192 544675769 /nfs/dbraw/zinc/67/57/69/544675769.db2.gz WEYURGRJIJBUAL-WOJBJXKFSA-N 1 1 370.497 2.115 20 10 FECDMO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCN(C)[C@H](C)C3)CC2)cc1 ZINC000162785059 546141079 /nfs/dbraw/zinc/14/10/79/546141079.db2.gz XCRDRLLMLJBTBX-MOPGFXCFSA-N 1 1 360.546 2.280 20 10 FECDMO C[C@H]1C[C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[N@H+]1C1CC1 ZINC000177071068 546539471 /nfs/dbraw/zinc/53/94/71/546539471.db2.gz XZFZZLIGSSMNID-LXCLZNAOSA-N 1 1 355.482 2.278 20 10 FECDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1O ZINC000177296965 546589454 /nfs/dbraw/zinc/58/94/54/546589454.db2.gz QRJITJXDNYFONP-AWEZNQCLSA-N 1 1 352.862 2.402 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(O)c1 ZINC000179893687 547026180 /nfs/dbraw/zinc/02/61/80/547026180.db2.gz QAPOTGGVCKGZPJ-KRWDZBQOSA-N 1 1 362.470 2.252 20 10 FECDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000186820358 548200271 /nfs/dbraw/zinc/20/02/71/548200271.db2.gz SEQUCSPOVWYNAX-UHFFFAOYSA-N 1 1 356.422 2.455 20 10 FECDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000186820358 548200273 /nfs/dbraw/zinc/20/02/73/548200273.db2.gz SEQUCSPOVWYNAX-UHFFFAOYSA-N 1 1 356.422 2.455 20 10 FECDMO CCN(CC)c1ccc(C[NH+]2CCN(Cc3nc(COC)no3)CC2)cc1 ZINC000188794856 548289108 /nfs/dbraw/zinc/28/91/08/548289108.db2.gz PPUNJKCPFCJINU-UHFFFAOYSA-N 1 1 373.501 2.380 20 10 FECDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3ccc(N)cc3)cc2)C1 ZINC000262630451 549833618 /nfs/dbraw/zinc/83/36/18/549833618.db2.gz DSLRKZWDLHGKSJ-QGZVFWFLSA-N 1 1 366.465 2.147 20 10 FECDMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(O)c1O ZINC000273065283 550483444 /nfs/dbraw/zinc/48/34/44/550483444.db2.gz ZBYLODJPEHNVRF-AEFFLSMTSA-N 1 1 370.449 2.019 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000273476814 550499848 /nfs/dbraw/zinc/49/98/48/550499848.db2.gz LAKDOEDIHJJPDH-IYJAJMOOSA-N 1 1 359.422 2.314 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccncc3F)CC2)cc1 ZINC000273685964 550508012 /nfs/dbraw/zinc/50/80/12/550508012.db2.gz GKQKYSADQQZFHD-UHFFFAOYSA-N 1 1 373.432 2.173 20 10 FECDMO COc1cc(O)c(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc1OC ZINC000274310167 550532215 /nfs/dbraw/zinc/53/22/15/550532215.db2.gz VBDFZQQWNJIWLG-HNNXBMFYSA-N 1 1 365.451 2.285 20 10 FECDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1O ZINC000277910859 550728091 /nfs/dbraw/zinc/72/80/91/550728091.db2.gz XHTXNAOAXJIPPF-YOEHRIQHSA-N 1 1 363.845 2.190 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)ccc1[N+](=O)[O-] ZINC000278295372 550769804 /nfs/dbraw/zinc/76/98/04/550769804.db2.gz CEEKPGVMOZLDOF-CYBMUJFWSA-N 1 1 352.387 2.284 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)ccc1[N+](=O)[O-] ZINC000278295372 550769805 /nfs/dbraw/zinc/76/98/05/550769805.db2.gz CEEKPGVMOZLDOF-CYBMUJFWSA-N 1 1 352.387 2.284 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC000278627304 550805752 /nfs/dbraw/zinc/80/57/52/550805752.db2.gz GJOVTIZVLJFBGY-UHFFFAOYSA-N 1 1 366.395 2.002 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(O)c1 ZINC000279474135 550894230 /nfs/dbraw/zinc/89/42/30/550894230.db2.gz SNJVTNUOHRCECB-INIZCTEOSA-N 1 1 368.499 2.181 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000287677087 552033050 /nfs/dbraw/zinc/03/30/50/552033050.db2.gz HXWVGQPATCQSBX-FQEVSTJZSA-N 1 1 368.481 2.055 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000287677087 552033052 /nfs/dbraw/zinc/03/30/52/552033052.db2.gz HXWVGQPATCQSBX-FQEVSTJZSA-N 1 1 368.481 2.055 20 10 FECDMO CCOc1ccc(O)c(C[NH+]2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1 ZINC000289668720 552359111 /nfs/dbraw/zinc/35/91/11/552359111.db2.gz DIVCRYBNIWQJRO-FQEVSTJZSA-N 1 1 369.465 2.135 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c(O)c1 ZINC000289947845 552404162 /nfs/dbraw/zinc/40/41/62/552404162.db2.gz YPAUSVZNYCPWLC-AUUYWEPGSA-N 1 1 361.442 2.134 20 10 FECDMO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[N@H+](C2CCC2)C1 ZINC000292068434 552690300 /nfs/dbraw/zinc/69/03/00/552690300.db2.gz CHMUHSOMMLLLGM-QGZVFWFLSA-N 1 1 358.530 2.175 20 10 FECDMO COC(=O)c1cn(C2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)nn1 ZINC000293535203 552833077 /nfs/dbraw/zinc/83/30/77/552833077.db2.gz FIYKWNWTSZDIQJ-UHFFFAOYSA-N 1 1 368.796 2.400 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(Cn1c[nH+]c3c1C[C@@H](C)[C@@H](C)C3)cc2=O ZINC000295225317 552972155 /nfs/dbraw/zinc/97/21/55/552972155.db2.gz WFPGNERPUPGTMP-NWDGAFQWSA-N 1 1 369.425 2.227 20 10 FECDMO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1OC ZINC000366532267 555869388 /nfs/dbraw/zinc/86/93/88/555869388.db2.gz CEFMSUNLJNVFTF-AWEZNQCLSA-N 1 1 357.472 2.199 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)cc1OC ZINC000366532267 555869391 /nfs/dbraw/zinc/86/93/91/555869391.db2.gz CEFMSUNLJNVFTF-AWEZNQCLSA-N 1 1 357.472 2.199 20 10 FECDMO Cc1nccc(CN2CCC[C@H]([NH2+][C@@H](C)c3ccc(F)cc3O)C2=O)n1 ZINC000366683201 555907965 /nfs/dbraw/zinc/90/79/65/555907965.db2.gz KECZLZVLRXMDNL-SJCJKPOMSA-N 1 1 358.417 2.472 20 10 FECDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)c1 ZINC000368052289 556204481 /nfs/dbraw/zinc/20/44/81/556204481.db2.gz VCGVSSDOEYVKOF-KSSFIOAISA-N 1 1 362.470 2.469 20 10 FECDMO C[N@H+]1CC[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000371554477 557220268 /nfs/dbraw/zinc/22/02/68/557220268.db2.gz QFLVPZFAXZXFEI-JQVKTCLLSA-N 1 1 355.482 2.089 20 10 FECDMO Cc1ccnc(C2CC[NH+](CC(=O)NCc3ccc(N(C)C)cc3)CC2)n1 ZINC000371823540 557303815 /nfs/dbraw/zinc/30/38/15/557303815.db2.gz RDVADZATWXKIHO-UHFFFAOYSA-N 1 1 367.497 2.347 20 10 FECDMO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000372775194 557560121 /nfs/dbraw/zinc/56/01/21/557560121.db2.gz HROYBGYTGFRJRX-ZUZCIYMTSA-N 1 1 363.838 2.011 20 10 FECDMO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000375780703 558079435 /nfs/dbraw/zinc/07/94/35/558079435.db2.gz PZWXUBYSCHVOQJ-NSHDSACASA-N 1 1 368.434 2.006 20 10 FECDMO CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCCOC1)c1ccc(F)cc1O ZINC000375789321 558079741 /nfs/dbraw/zinc/07/97/41/558079741.db2.gz TZHYBRYOKSMDDM-HKUYNNGSSA-N 1 1 352.450 2.453 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)CN2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000378436548 558557008 /nfs/dbraw/zinc/55/70/08/558557008.db2.gz ZXPDWLYPKRXKBT-UHFFFAOYSA-N 1 1 358.530 2.271 20 10 FECDMO CCCNC(=O)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000443917827 560096061 /nfs/dbraw/zinc/09/60/61/560096061.db2.gz DXVUVOCTFQTNPH-UHFFFAOYSA-N 1 1 370.497 2.050 20 10 FECDMO COC[C@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)OC ZINC000444363817 560111825 /nfs/dbraw/zinc/11/18/25/560111825.db2.gz KLESIRLUHAXKCW-INIZCTEOSA-N 1 1 373.497 2.185 20 10 FECDMO CNC(=O)NC[C@@H]1C[N@H+](Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000530104772 562398477 /nfs/dbraw/zinc/39/84/77/562398477.db2.gz OVVVBEWZMFDJPE-CQSZACIVSA-N 1 1 369.421 2.421 20 10 FECDMO CNC(=O)NC[C@@H]1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000530104772 562398478 /nfs/dbraw/zinc/39/84/78/562398478.db2.gz OVVVBEWZMFDJPE-CQSZACIVSA-N 1 1 369.421 2.421 20 10 FECDMO CCCC[N@@H+](CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051281105 670294637 /nfs/dbraw/zinc/29/46/37/670294637.db2.gz WETUHRMBHWJOIC-UHFFFAOYSA-N 1 1 351.466 2.401 20 10 FECDMO O=S(=O)(N[C@H]1CCC[N@H+](Cc2ccccc2O)C1)c1cccc(F)c1 ZINC000179569874 672403384 /nfs/dbraw/zinc/40/33/84/672403384.db2.gz CPJBXTXUMQECQH-INIZCTEOSA-N 1 1 364.442 2.474 20 10 FECDMO CCN1CCN(c2ccc(C[NH2+]C[C@H](O)CC(F)(F)F)cc2F)CC1 ZINC000819034264 675254311 /nfs/dbraw/zinc/25/43/11/675254311.db2.gz YRUILNGTWXZDSZ-CQSZACIVSA-N 1 1 363.399 2.371 20 10 FECDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1Cl ZINC000825883619 675672747 /nfs/dbraw/zinc/67/27/47/675672747.db2.gz YXCHMPPLPUEBGV-ZDUSSCGKSA-N 1 1 360.907 2.457 20 10 FECDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H](O)C1CCC1 ZINC000827311290 675747207 /nfs/dbraw/zinc/74/72/07/675747207.db2.gz XYJOOEGVKZQGKJ-RDJZCZTQSA-N 1 1 352.862 2.287 20 10 FECDMO COCCC[N@@H+](C)CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000830470258 677041560 /nfs/dbraw/zinc/04/15/60/677041560.db2.gz JHTFXFFYBMDKDZ-UHFFFAOYSA-N 1 1 362.499 2.014 20 10 FECDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000764792930 680821353 /nfs/dbraw/zinc/82/13/53/680821353.db2.gz ZYXSPTJMRKUDST-LLVKDONJSA-N 1 1 356.264 2.296 20 10 FECDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000840976433 680858319 /nfs/dbraw/zinc/85/83/19/680858319.db2.gz WFOJTQYAPQQDLK-IBGZPJMESA-N 1 1 350.434 2.437 20 10 FECDMO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc3c(c2)sc(=O)n3C)cc1 ZINC000841042790 680860632 /nfs/dbraw/zinc/86/06/32/680860632.db2.gz ONEXMVMTXWOTAE-MRXNPFEDSA-N 1 1 356.495 2.456 20 10 FECDMO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cscn1 ZINC000768107413 680938138 /nfs/dbraw/zinc/93/81/38/680938138.db2.gz XDDCOOGJMHBWFW-ZDUSSCGKSA-N 1 1 351.497 2.229 20 10 FECDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCC(=O)C1 ZINC000843831524 681021016 /nfs/dbraw/zinc/02/10/16/681021016.db2.gz QEVQJRFXTIDWHD-SWLSCSKDSA-N 1 1 350.846 2.495 20 10 FECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCC(=O)C1 ZINC000843831524 681021017 /nfs/dbraw/zinc/02/10/17/681021017.db2.gz QEVQJRFXTIDWHD-SWLSCSKDSA-N 1 1 350.846 2.495 20 10 FECDMO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000846191929 681198090 /nfs/dbraw/zinc/19/80/90/681198090.db2.gz ZWAWVABJBBZEKY-ZJUUUORDSA-N 1 1 352.378 2.096 20 10 FECDMO COCC[N@H+](CCC(=O)OC)Cc1cc(C)cc(Br)c1O ZINC000781912333 681987829 /nfs/dbraw/zinc/98/78/29/681987829.db2.gz PDDHHRZBTIGNDN-UHFFFAOYSA-N 1 1 360.248 2.475 20 10 FECDMO COCC[N@@H+](CCC(=O)OC)Cc1cc(C)cc(Br)c1O ZINC000781912333 681987835 /nfs/dbraw/zinc/98/78/35/681987835.db2.gz PDDHHRZBTIGNDN-UHFFFAOYSA-N 1 1 360.248 2.475 20 10 FECDMO CCc1cc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nc(C)[nH+]1 ZINC000782134490 682009617 /nfs/dbraw/zinc/00/96/17/682009617.db2.gz CXMDTFINTFTRIS-UHFFFAOYSA-N 1 1 360.483 2.194 20 10 FECDMO O=S(=O)(NCC[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000790959548 682715999 /nfs/dbraw/zinc/71/59/99/682715999.db2.gz ZIJAIGFPFZJPAX-UHFFFAOYSA-N 1 1 358.822 2.253 20 10 FECDMO Cc1cc(Br)c(O)c(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000793586133 682897069 /nfs/dbraw/zinc/89/70/69/682897069.db2.gz GCJFXPWLOMTDNB-STQMWFEESA-N 1 1 357.292 2.350 20 10 FECDMO O=C(NCCCSc1nccs1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921447337 683471469 /nfs/dbraw/zinc/47/14/69/683471469.db2.gz FYFZBXJRWHTBCY-CQSZACIVSA-N 1 1 370.544 2.178 20 10 FECDMO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877568188 686411295 /nfs/dbraw/zinc/41/12/95/686411295.db2.gz HDIFVRJXABITMB-GOSISDBHSA-N 1 1 366.527 2.047 20 10 FECDMO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877568188 686411300 /nfs/dbraw/zinc/41/13/00/686411300.db2.gz HDIFVRJXABITMB-GOSISDBHSA-N 1 1 366.527 2.047 20 10 FECDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCc2cccc(Cl)c2O)cn1 ZINC000890761405 688963010 /nfs/dbraw/zinc/96/30/10/688963010.db2.gz QMFWOYONBXTQHE-HUUCEWRRSA-N 1 1 362.861 2.131 20 10 FECDMO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Br)c(F)cc1O ZINC000818360735 675216239 /nfs/dbraw/zinc/21/62/39/675216239.db2.gz BTNFXTMWUFLTCX-HQJQHLMTSA-N 1 1 359.195 2.092 20 10 FECDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000066203299 541290055 /nfs/dbraw/zinc/29/00/55/541290055.db2.gz BIAUNKRRKUMHTE-QGZVFWFLSA-N 1 1 362.518 2.395 20 10 FECDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(Br)cc3O)[C@H]2C1 ZINC000826011838 675677878 /nfs/dbraw/zinc/67/78/78/675677878.db2.gz JJNCNOQDZDEVJF-GOEBONIOSA-N 1 1 355.276 2.450 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1O ZINC000085857240 542733285 /nfs/dbraw/zinc/73/32/85/542733285.db2.gz LLOAGWAXABKMCE-DLBZAZTESA-N 1 1 350.434 2.155 20 10 FECDMO CCCOc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c(O)c1 ZINC000091898180 542831319 /nfs/dbraw/zinc/83/13/19/542831319.db2.gz JZFGHNDSEWCRKG-MRXNPFEDSA-N 1 1 356.488 2.083 20 10 FECDMO COCCOCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134260069 544300565 /nfs/dbraw/zinc/30/05/65/544300565.db2.gz ZLBMUYMYLWGJAR-INIZCTEOSA-N 1 1 370.877 2.179 20 10 FECDMO COCC[N@H+](C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805073663 674317157 /nfs/dbraw/zinc/31/71/57/674317157.db2.gz SLWFWHDKRIOKLQ-UHFFFAOYSA-N 1 1 350.246 2.076 20 10 FECDMO COCC[N@@H+](C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805073663 674317158 /nfs/dbraw/zinc/31/71/58/674317158.db2.gz SLWFWHDKRIOKLQ-UHFFFAOYSA-N 1 1 350.246 2.076 20 10 FECDMO COc1ccc(N2CC[NH+](CCn3cnc4ccccc4c3=O)CC2)cc1 ZINC000172241978 546242839 /nfs/dbraw/zinc/24/28/39/546242839.db2.gz BABXKWRIERELBX-UHFFFAOYSA-N 1 1 364.449 2.227 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000175786180 546349867 /nfs/dbraw/zinc/34/98/67/546349867.db2.gz TUCQLPJYENZXTP-QGZVFWFLSA-N 1 1 362.518 2.197 20 10 FECDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1O ZINC000177296948 546589613 /nfs/dbraw/zinc/58/96/13/546589613.db2.gz QRJITJXDNYFONP-CQSZACIVSA-N 1 1 352.862 2.402 20 10 FECDMO COc1cc(N2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)cc(OC)c1OC ZINC000183706634 547704520 /nfs/dbraw/zinc/70/45/20/547704520.db2.gz XHBUDFMOWHXLJI-INIZCTEOSA-N 1 1 363.502 2.319 20 10 FECDMO C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000185881977 548050978 /nfs/dbraw/zinc/05/09/78/548050978.db2.gz TYKULPGLELKGHL-CYBMUJFWSA-N 1 1 356.308 2.270 20 10 FECDMO CCOC(=O)c1nn(C)cc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000186157955 548092305 /nfs/dbraw/zinc/09/23/05/548092305.db2.gz GTRNJJHIJKFHMI-KRWDZBQOSA-N 1 1 373.453 2.484 20 10 FECDMO CCOC(=O)c1nn(C)cc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000186157955 548092311 /nfs/dbraw/zinc/09/23/11/548092311.db2.gz GTRNJJHIJKFHMI-KRWDZBQOSA-N 1 1 373.453 2.484 20 10 FECDMO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000194931832 548552850 /nfs/dbraw/zinc/55/28/50/548552850.db2.gz CBXIOZUWXJJHQL-KRWDZBQOSA-N 1 1 371.485 2.352 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3c(C)noc3C)CC2)cc1 ZINC000264014791 549968134 /nfs/dbraw/zinc/96/81/34/549968134.db2.gz CIGIUKSMONWBDR-UHFFFAOYSA-N 1 1 373.457 2.244 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@H](CO)c2ccccc2)cc1 ZINC000264020616 549968902 /nfs/dbraw/zinc/96/89/02/549968902.db2.gz MCWKZSVIMCPZKN-HXUWFJFHSA-N 1 1 355.482 2.376 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@H](CO)c2ccccc2)cc1 ZINC000264020616 549968906 /nfs/dbraw/zinc/96/89/06/549968906.db2.gz MCWKZSVIMCPZKN-HXUWFJFHSA-N 1 1 355.482 2.376 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000265525044 550010784 /nfs/dbraw/zinc/01/07/84/550010784.db2.gz JWRDEDRPYPCSNE-RDJZCZTQSA-N 1 1 373.419 2.099 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000265525044 550010787 /nfs/dbraw/zinc/01/07/87/550010787.db2.gz JWRDEDRPYPCSNE-RDJZCZTQSA-N 1 1 373.419 2.099 20 10 FECDMO Nc1ccc(CC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000269283604 550176236 /nfs/dbraw/zinc/17/62/36/550176236.db2.gz HBWFQBLJQJSNOH-UHFFFAOYSA-N 1 1 372.900 2.403 20 10 FECDMO CCOc1cccc(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)c1O ZINC000271136146 550343743 /nfs/dbraw/zinc/34/37/43/550343743.db2.gz MRKPFHVBQNZHHX-GDBMZVCRSA-N 1 1 350.459 2.154 20 10 FECDMO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277394779 550665097 /nfs/dbraw/zinc/66/50/97/550665097.db2.gz JKWNNRWJRPWZGG-HXUWFJFHSA-N 1 1 372.513 2.339 20 10 FECDMO O=C(NCC[NH+]1CCSCC1)NCc1cccc(Br)c1O ZINC000277469009 550674369 /nfs/dbraw/zinc/67/43/69/550674369.db2.gz OTUYABCIRMWQCC-UHFFFAOYSA-N 1 1 374.304 2.003 20 10 FECDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@]12CCCO2 ZINC000278106188 550749921 /nfs/dbraw/zinc/74/99/21/550749921.db2.gz ARWLRXZHPWQYDN-CPUCHLNUSA-N 1 1 352.387 2.125 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278168003 550756625 /nfs/dbraw/zinc/75/66/25/550756625.db2.gz AVWNQOXZFVFRIJ-HIFRSBDPSA-N 1 1 358.442 2.232 20 10 FECDMO CCCOc1ccc(C[N@H+]2C[C@H](CO)C[C@H](OCCOC)C2)c(O)c1 ZINC000278748033 550817559 /nfs/dbraw/zinc/81/75/59/550817559.db2.gz RTKHSRJYAMFCKF-QAPCUYQASA-N 1 1 353.459 2.027 20 10 FECDMO COc1c(O)c(C[NH2+]CCc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000278893584 550833520 /nfs/dbraw/zinc/83/35/20/550833520.db2.gz PXJOQRQSDHGKMV-UHFFFAOYSA-N 1 1 360.366 2.413 20 10 FECDMO CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000288960803 552243919 /nfs/dbraw/zinc/24/39/19/552243919.db2.gz HEXNYJWKZFYQIG-CRAIPNDOSA-N 1 1 373.497 2.120 20 10 FECDMO COc1c(O)c(C[NH2+]CCn2cc(Br)cn2)ccc1[N+](=O)[O-] ZINC000289264558 552291397 /nfs/dbraw/zinc/29/13/97/552291397.db2.gz FVRIMYAVANJXMD-UHFFFAOYSA-N 1 1 371.191 2.058 20 10 FECDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1O ZINC000289369396 552308974 /nfs/dbraw/zinc/30/89/74/552308974.db2.gz LGUBVKHOJSTGLY-CYBMUJFWSA-N 1 1 360.907 2.457 20 10 FECDMO CCN1CCN(c2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2F)CC1 ZINC000292049037 552688238 /nfs/dbraw/zinc/68/82/38/552688238.db2.gz IWYGZRJQWVXJFB-QGZVFWFLSA-N 1 1 362.493 2.116 20 10 FECDMO CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ccc(N(C)C)c(C)c1 ZINC000294363111 552900494 /nfs/dbraw/zinc/90/04/94/552900494.db2.gz ASZYPJDDQJTKPP-GOSISDBHSA-N 1 1 362.518 2.043 20 10 FECDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295058404 552954935 /nfs/dbraw/zinc/95/49/35/552954935.db2.gz GJAONYVOFBLPRM-AWEZNQCLSA-N 1 1 354.447 2.108 20 10 FECDMO CCOc1cccc(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000295128738 552961655 /nfs/dbraw/zinc/96/16/55/552961655.db2.gz OEWCIZOFNCKVFL-CQSZACIVSA-N 1 1 354.447 2.108 20 10 FECDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298705651 553461031 /nfs/dbraw/zinc/46/10/31/553461031.db2.gz FISHYYJQBJCORY-PMACEKPBSA-N 1 1 372.513 2.291 20 10 FECDMO COc1ccc(N2CCC([N@@H+](C)C[C@H](C)CS(C)(=O)=O)CC2)cc1 ZINC000361334448 554917068 /nfs/dbraw/zinc/91/70/68/554917068.db2.gz FWHKBDQMWXRBSO-HNNXBMFYSA-N 1 1 354.516 2.277 20 10 FECDMO COc1ccc(N2CCC[N@@H+](C[C@H](O)COCC(F)(F)F)CC2)cc1 ZINC000366414308 555836860 /nfs/dbraw/zinc/83/68/60/555836860.db2.gz JJHFFOPLXWXBLU-HNNXBMFYSA-N 1 1 362.392 2.147 20 10 FECDMO Cc1cc(O)c(CNc2nc(N3CCn4cnnc4C3)cc[nH+]2)cc1C ZINC000366455848 555848788 /nfs/dbraw/zinc/84/87/88/555848788.db2.gz UWNMAEHYZGAZCS-UHFFFAOYSA-N 1 1 351.414 2.023 20 10 FECDMO COCCN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(OC)c(OC)c1 ZINC000367582394 556089279 /nfs/dbraw/zinc/08/92/79/556089279.db2.gz KKZCKKNXLLXXOX-CALCHBBNSA-N 1 1 350.459 2.020 20 10 FECDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c1O ZINC000367741701 556127536 /nfs/dbraw/zinc/12/75/36/556127536.db2.gz UYNJIVYOQCVBHP-CQSZACIVSA-N 1 1 368.275 2.453 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000368629810 556368821 /nfs/dbraw/zinc/36/88/21/556368821.db2.gz BJEDXDCGLHAXIS-LJQANCHMSA-N 1 1 352.482 2.328 20 10 FECDMO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000373912487 557785703 /nfs/dbraw/zinc/78/57/03/557785703.db2.gz VKBGVVFTOUFJBV-PXAZEXFGSA-N 1 1 350.371 2.084 20 10 FECDMO COC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C2 ZINC000373912487 557785705 /nfs/dbraw/zinc/78/57/05/557785705.db2.gz VKBGVVFTOUFJBV-PXAZEXFGSA-N 1 1 350.371 2.084 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)cc1OC ZINC000374786067 557931088 /nfs/dbraw/zinc/93/10/88/557931088.db2.gz YBYXJMGSUCXXHK-CYBMUJFWSA-N 1 1 374.441 2.471 20 10 FECDMO CCCOc1ccc(C[N@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)c(O)c1 ZINC000375200682 557991160 /nfs/dbraw/zinc/99/11/60/557991160.db2.gz IOWHBFWRDZTRKP-AWEZNQCLSA-N 1 1 360.414 2.006 20 10 FECDMO CCNC(=O)[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435621184 559926542 /nfs/dbraw/zinc/92/65/42/559926542.db2.gz JOHLWISIWBDUEN-OAHLLOKOSA-N 1 1 370.497 2.049 20 10 FECDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](C)[NH+](C)C)C1 ZINC000443945324 560096796 /nfs/dbraw/zinc/09/67/96/560096796.db2.gz HAHQQVVLAWXEBY-MRXNPFEDSA-N 1 1 356.514 2.474 20 10 FECDMO O=C(CCc1ncc[nH]1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108521 674405301 /nfs/dbraw/zinc/40/53/01/674405301.db2.gz XNOYDRMIBGURCY-OAHLLOKOSA-N 1 1 362.861 2.482 20 10 FECDMO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1)C1CC1 ZINC000809784126 674509863 /nfs/dbraw/zinc/50/98/63/674509863.db2.gz HJXYNLDXEYJKNF-GFCCVEGCSA-N 1 1 358.891 2.339 20 10 FECDMO C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000833812609 605992746 /nfs/dbraw/zinc/99/27/46/605992746.db2.gz KPUJHAOMCIYRGZ-SJLPKXTDSA-N 1 1 360.502 2.307 20 10 FECDMO COc1ccc(N2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1F ZINC000826209689 608836354 /nfs/dbraw/zinc/83/63/54/608836354.db2.gz MHOZBHSVFUMFKI-UHFFFAOYSA-N 1 1 374.445 2.398 20 10 FECDMO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000815591292 674960564 /nfs/dbraw/zinc/96/05/64/674960564.db2.gz CHFIKCRHBYDDGR-LLVKDONJSA-N 1 1 366.405 2.487 20 10 FECDMO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092192339 670735697 /nfs/dbraw/zinc/73/56/97/670735697.db2.gz AEKBVOABZNFEAX-UHFFFAOYSA-N 1 1 351.466 2.401 20 10 FECDMO CC(C)[N@@H+](C)CCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000101983801 670771855 /nfs/dbraw/zinc/77/18/55/670771855.db2.gz GKZPSMIROXXEET-UHFFFAOYSA-N 1 1 350.532 2.379 20 10 FECDMO c1cc(N2CCSCC2)ccc1CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817890022 675185396 /nfs/dbraw/zinc/18/53/96/675185396.db2.gz WCJFRRJHCSPRIM-VAMGGRTRSA-N 1 1 361.555 2.487 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000131049749 672083204 /nfs/dbraw/zinc/08/32/04/672083204.db2.gz RJTDKETZMLPVER-ZRNGKTOUSA-N 1 1 350.278 2.362 20 10 FECDMO Cc1ccc(O)c(C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000162453781 672304556 /nfs/dbraw/zinc/30/45/56/672304556.db2.gz DHODOGMYGJYNBA-UHFFFAOYSA-N 1 1 360.479 2.348 20 10 FECDMO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cc(Br)c(F)cc1O ZINC000818360732 675216202 /nfs/dbraw/zinc/21/62/02/675216202.db2.gz BTNFXTMWUFLTCX-CPCISQLKSA-N 1 1 359.195 2.092 20 10 FECDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)CC12COC2 ZINC000824489716 675606098 /nfs/dbraw/zinc/60/60/98/675606098.db2.gz PWQIXJJJFOKMAA-CYBMUJFWSA-N 1 1 355.818 2.066 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1O ZINC000824726967 675618803 /nfs/dbraw/zinc/61/88/03/675618803.db2.gz XWMWHXSUNPQONS-ZDUSSCGKSA-N 1 1 352.175 2.365 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c1O ZINC000824726967 675618805 /nfs/dbraw/zinc/61/88/05/675618805.db2.gz XWMWHXSUNPQONS-ZDUSSCGKSA-N 1 1 352.175 2.365 20 10 FECDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000830673919 677054093 /nfs/dbraw/zinc/05/40/93/677054093.db2.gz HSBGZLRLRUJUKL-HNNXBMFYSA-N 1 1 362.323 2.234 20 10 FECDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000830673919 677054094 /nfs/dbraw/zinc/05/40/94/677054094.db2.gz HSBGZLRLRUJUKL-HNNXBMFYSA-N 1 1 362.323 2.234 20 10 FECDMO Cc1cc([O-])c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(Cl)c1 ZINC000840912795 680852504 /nfs/dbraw/zinc/85/25/04/680852504.db2.gz WJRJABKAKUAWER-UHFFFAOYSA-N 1 1 353.894 2.244 20 10 FECDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000840950824 680856409 /nfs/dbraw/zinc/85/64/09/680856409.db2.gz OSHQXNAGZRLSSX-QGZVFWFLSA-N 1 1 351.491 2.378 20 10 FECDMO CCC(CC)[C@H](CNC(=O)c1ccc(C)c(O)c1O)[NH+]1CCOCC1 ZINC000751533572 680185915 /nfs/dbraw/zinc/18/59/15/680185915.db2.gz PJQJUEJRUFQNNX-INIZCTEOSA-N 1 1 350.459 2.273 20 10 FECDMO O=C(NCCCSc1nccs1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000841858086 680915051 /nfs/dbraw/zinc/91/50/51/680915051.db2.gz SVBISOGASDBAEB-AWEZNQCLSA-N 1 1 363.512 2.376 20 10 FECDMO COc1cc(Br)cc(CN2CCC(OCCC[NH3+])CC2)c1O ZINC000843055985 680985070 /nfs/dbraw/zinc/98/50/70/680985070.db2.gz BKLUEIYSVPCAAI-UHFFFAOYSA-N 1 1 373.291 2.493 20 10 FECDMO COc1cc(Br)cc(CN2CC[N@@H+](CCO)C(C)(C)C2)c1O ZINC000783713831 682168665 /nfs/dbraw/zinc/16/86/65/682168665.db2.gz LECAXMCUWBTRDJ-UHFFFAOYSA-N 1 1 373.291 2.052 20 10 FECDMO CCOC(=O)[C@@]1(F)C[N@H+](Cc2cc3c(cc2O)OCO3)CC12CCC2 ZINC000853523213 682428117 /nfs/dbraw/zinc/42/81/17/682428117.db2.gz GXUAPILMNWGPAT-SFHVURJKSA-N 1 1 351.374 2.378 20 10 FECDMO CCOC(=O)[C@@]1(F)C[N@@H+](Cc2cc3c(cc2O)OCO3)CC12CCC2 ZINC000853523213 682428120 /nfs/dbraw/zinc/42/81/20/682428120.db2.gz GXUAPILMNWGPAT-SFHVURJKSA-N 1 1 351.374 2.378 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCSC(C)(C)CC1)cc2=O ZINC000789343494 682595002 /nfs/dbraw/zinc/59/50/02/682595002.db2.gz YSLOGWPXQKCIKR-UHFFFAOYSA-N 1 1 364.471 2.329 20 10 FECDMO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000796481345 683164544 /nfs/dbraw/zinc/16/45/44/683164544.db2.gz FBDXPSPCOOMQJL-ZWNOBZJWSA-N 1 1 364.870 2.382 20 10 FECDMO OC1CCN(c2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2)CC1 ZINC000922263254 683689606 /nfs/dbraw/zinc/68/96/06/683689606.db2.gz TZSZEHKYZOCICM-UHFFFAOYSA-N 1 1 365.275 2.423 20 10 FECDMO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCCSc1nccs1 ZINC000876662156 686239069 /nfs/dbraw/zinc/23/90/69/686239069.db2.gz MBXRHQJBVTXWAM-HNNXBMFYSA-N 1 1 364.540 2.201 20 10 FECDMO CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCCCSc1nccs1 ZINC000876662156 686239076 /nfs/dbraw/zinc/23/90/76/686239076.db2.gz MBXRHQJBVTXWAM-HNNXBMFYSA-N 1 1 364.540 2.201 20 10 FECDMO COc1ccc(N2CC[NH+](CCCNCc3snnc3C)CC2)cc1 ZINC000876901008 686290949 /nfs/dbraw/zinc/29/09/49/686290949.db2.gz WLQIYAJNLMFJCY-UHFFFAOYSA-N 1 1 361.515 2.157 20 10 FECDMO CCN(CC)c1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)cc1F ZINC000877027864 686313099 /nfs/dbraw/zinc/31/30/99/686313099.db2.gz UBBOOFNSMVTUSI-UHFFFAOYSA-N 1 1 355.435 2.202 20 10 FECDMO CC1CCN(c2ccc(C[NH2+]Cc3ccc(S(N)(=O)=O)o3)cc2)CC1 ZINC000877024971 686313579 /nfs/dbraw/zinc/31/35/79/686313579.db2.gz VBDZQKHNNGUFDP-UHFFFAOYSA-N 1 1 363.483 2.453 20 10 FECDMO O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883120443 687570829 /nfs/dbraw/zinc/57/08/29/687570829.db2.gz CWURJBXEKZOOGR-AWEZNQCLSA-N 1 1 368.405 2.223 20 10 FECDMO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@@H](O)C1 ZINC000883196764 687585651 /nfs/dbraw/zinc/58/56/51/687585651.db2.gz VRYRUZSNEXGGSM-KBPBESRZSA-N 1 1 358.385 2.130 20 10 FECDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888994149 688717396 /nfs/dbraw/zinc/71/73/96/688717396.db2.gz WLQDLFXZZYUITF-UHFFFAOYSA-N 1 1 360.527 2.475 20 10 FECDMO COc1ccc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(O)c1OC ZINC000891589365 689080885 /nfs/dbraw/zinc/08/08/85/689080885.db2.gz NDUHUPKRETYYIG-MRXNPFEDSA-N 1 1 350.459 2.096 20 10 FECDMO COc1ccc(C[N@@H+]2CCCN(C[C@H]3CCCO3)CC2)c(O)c1OC ZINC000891589365 689080888 /nfs/dbraw/zinc/08/08/88/689080888.db2.gz NDUHUPKRETYYIG-MRXNPFEDSA-N 1 1 350.459 2.096 20 10 FECDMO COc1ccc(C[N@H+]2CCCN(C[C@H]3CCCO3)CC2)c(O)c1OC ZINC000891589365 689080890 /nfs/dbraw/zinc/08/08/90/689080890.db2.gz NDUHUPKRETYYIG-MRXNPFEDSA-N 1 1 350.459 2.096 20 10 FECDMO Oc1c(F)cc(Br)cc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000894076505 689461864 /nfs/dbraw/zinc/46/18/64/689461864.db2.gz OQPPMNSVINIYGG-LBPRGKRZSA-N 1 1 373.266 2.448 20 10 FECDMO O=C(Nc1nncs1)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000894766556 689592386 /nfs/dbraw/zinc/59/23/86/689592386.db2.gz PZZDVJZIWIYODG-UHFFFAOYSA-N 1 1 354.382 2.373 20 10 FECDMO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)c(O)c1OC ZINC000895513925 689728949 /nfs/dbraw/zinc/72/89/49/689728949.db2.gz JZUMPXGOAGUSTL-OAHLLOKOSA-N 1 1 363.435 2.169 20 10 FECDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896210902 689838260 /nfs/dbraw/zinc/83/82/60/689838260.db2.gz OYAXMVAUGGFWRB-LBPRGKRZSA-N 1 1 350.440 2.153 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000896840465 689937824 /nfs/dbraw/zinc/93/78/24/689937824.db2.gz TWRZBFMWTGAVQM-NSHDSACASA-N 1 1 363.336 2.425 20 10 FECDMO C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C(=O)NCCF ZINC000800498323 674057516 /nfs/dbraw/zinc/05/75/16/674057516.db2.gz HITHUPMZILYOIM-JGVFFNPUSA-N 1 1 351.191 2.419 20 10 FECDMO Cc1ccc(C)n1-c1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000061211610 541127460 /nfs/dbraw/zinc/12/74/60/541127460.db2.gz JTUZFTXHUSNPPZ-UHFFFAOYSA-N 1 1 354.498 2.461 20 10 FECDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000066186832 541287814 /nfs/dbraw/zinc/28/78/14/541287814.db2.gz HRJBNKLRWWLJTF-OAHLLOKOSA-N 1 1 366.481 2.192 20 10 FECDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000074171055 542048534 /nfs/dbraw/zinc/04/85/34/542048534.db2.gz YTXJYOVGCTXQML-LJQANCHMSA-N 1 1 374.529 2.482 20 10 FECDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092011063 542837352 /nfs/dbraw/zinc/83/73/52/542837352.db2.gz XJGKEKJYLPDZAY-ICSRJNTNSA-N 1 1 370.497 2.202 20 10 FECDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000111475925 543403229 /nfs/dbraw/zinc/40/32/29/543403229.db2.gz IXXBESFFGZXICA-LJQANCHMSA-N 1 1 360.502 2.197 20 10 FECDMO COc1ccc(O)c(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000114544421 543523414 /nfs/dbraw/zinc/52/34/14/543523414.db2.gz CYQKDVRSXJZATJ-HXUWFJFHSA-N 1 1 370.449 2.215 20 10 FECDMO COc1ccc(O)c(CNC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000114590436 543525305 /nfs/dbraw/zinc/52/53/05/543525305.db2.gz RSFWKRSIOFNBOO-UHFFFAOYSA-N 1 1 367.409 2.289 20 10 FECDMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NCc1ccccc1O ZINC000123994003 543795710 /nfs/dbraw/zinc/79/57/10/543795710.db2.gz ZEOJJMYEIIHILT-UHFFFAOYSA-N 1 1 355.438 2.401 20 10 FECDMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(O)c1O ZINC000182459530 547496396 /nfs/dbraw/zinc/49/63/96/547496396.db2.gz MEWCJXNUXLFJOP-YOEHRIQHSA-N 1 1 355.438 2.442 20 10 FECDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000188891660 548290539 /nfs/dbraw/zinc/29/05/39/548290539.db2.gz WDMGEYJBUHZHJM-QGZVFWFLSA-N 1 1 372.513 2.049 20 10 FECDMO CC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000269456540 550197701 /nfs/dbraw/zinc/19/77/01/550197701.db2.gz HBXTYMPHXRFINN-GOSISDBHSA-N 1 1 366.527 2.311 20 10 FECDMO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000269456540 550197702 /nfs/dbraw/zinc/19/77/02/550197702.db2.gz HBXTYMPHXRFINN-GOSISDBHSA-N 1 1 366.527 2.311 20 10 FECDMO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273536003 550502192 /nfs/dbraw/zinc/50/21/92/550502192.db2.gz XJNXQTVOPWHMRA-CJNGLKHVSA-N 1 1 366.458 2.007 20 10 FECDMO CCNC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278912647 550835124 /nfs/dbraw/zinc/83/51/24/550835124.db2.gz STNAMVDZQYMWJY-UHFFFAOYSA-N 1 1 359.382 2.349 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] ZINC000278910953 550835279 /nfs/dbraw/zinc/83/52/79/550835279.db2.gz SKOCFEHFDBRKAP-UHFFFAOYSA-N 1 1 373.409 2.435 20 10 FECDMO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cccc(F)c1O ZINC000280076343 550958747 /nfs/dbraw/zinc/95/87/47/550958747.db2.gz ZPRBHFUKOKIBRX-HOCLYGCPSA-N 1 1 350.413 2.309 20 10 FECDMO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1cccc(F)c1O ZINC000280076343 550958748 /nfs/dbraw/zinc/95/87/48/550958748.db2.gz ZPRBHFUKOKIBRX-HOCLYGCPSA-N 1 1 350.413 2.309 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000282990727 551294354 /nfs/dbraw/zinc/29/43/54/551294354.db2.gz FNSMKFAFBXSUIB-DHSIGJKJSA-N 1 1 363.454 2.397 20 10 FECDMO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000283992215 551463633 /nfs/dbraw/zinc/46/36/33/551463633.db2.gz JPHDHOSODPNFSS-VQIMIIECSA-N 1 1 374.529 2.090 20 10 FECDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000291269193 552608472 /nfs/dbraw/zinc/60/84/72/552608472.db2.gz MYPMIZIPHXAETH-VQIMIIECSA-N 1 1 372.513 2.074 20 10 FECDMO Oc1ccccc1C[N@@H+](C[C@H](O)COCC(F)(F)F)C[C@@H]1CCCO1 ZINC000293013108 552780542 /nfs/dbraw/zinc/78/05/42/552780542.db2.gz UPMXMQBXOURLDM-GJZGRUSLSA-N 1 1 363.376 2.313 20 10 FECDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000297316210 553277548 /nfs/dbraw/zinc/27/75/48/553277548.db2.gz IPNJXDSLLCUDFY-OAQYLSRUSA-N 1 1 372.513 2.151 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)cc2=O ZINC000298784947 553472748 /nfs/dbraw/zinc/47/27/48/553472748.db2.gz VSDJBGOXLNMNRT-OAHLLOKOSA-N 1 1 355.398 2.277 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)cc2=O ZINC000298784947 553472752 /nfs/dbraw/zinc/47/27/52/553472752.db2.gz VSDJBGOXLNMNRT-OAHLLOKOSA-N 1 1 355.398 2.277 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)ccc1[N+](=O)[O-] ZINC000365144512 555494618 /nfs/dbraw/zinc/49/46/18/555494618.db2.gz OBEGMNJIEWEHBO-GFCCVEGCSA-N 1 1 362.361 2.212 20 10 FECDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)c1O ZINC000367076694 556001275 /nfs/dbraw/zinc/00/12/75/556001275.db2.gz BHCXNJYSLWUAFA-QGZVFWFLSA-N 1 1 362.470 2.298 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](OCC3CC3)C1)cc2=O ZINC000368792734 556414324 /nfs/dbraw/zinc/41/43/24/556414324.db2.gz QBEJLWWXGYTPQV-OAHLLOKOSA-N 1 1 374.441 2.003 20 10 FECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369050583 556489235 /nfs/dbraw/zinc/48/92/35/556489235.db2.gz IVVISHZWPMGLJX-MOPGFXCFSA-N 1 1 360.502 2.147 20 10 FECDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369050585 556489293 /nfs/dbraw/zinc/48/92/93/556489293.db2.gz IVVISHZWPMGLJX-RBUKOAKNSA-N 1 1 360.502 2.147 20 10 FECDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(N2CCOCC2)cc1 ZINC000371471357 557191531 /nfs/dbraw/zinc/19/15/31/557191531.db2.gz TUXHMEAPHZAEPK-QHAWAJNXSA-N 1 1 359.514 2.207 20 10 FECDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCOC[C@@H]1C1CC1 ZINC000372319384 557438766 /nfs/dbraw/zinc/43/87/66/557438766.db2.gz SMBZIYMGVVPVLV-RBUKOAKNSA-N 1 1 374.481 2.011 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000472283821 561023056 /nfs/dbraw/zinc/02/30/56/561023056.db2.gz GDVWZYJOFPCNII-FOIQADDNSA-N 1 1 370.497 2.349 20 10 FECDMO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccc(N2CCOCC2)cc1 ZINC000820431148 599416496 /nfs/dbraw/zinc/41/64/96/599416496.db2.gz BICWPZOUSCDJMK-CYBMUJFWSA-N 1 1 354.414 2.147 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 ZINC000808766308 674471577 /nfs/dbraw/zinc/47/15/77/674471577.db2.gz PTSLRCDONJELND-INIZCTEOSA-N 1 1 351.516 2.046 20 10 FECDMO O=S(=O)(CC[NH2+]Cc1cc(Cl)c(F)cc1O)NCc1ccccc1 ZINC000816542365 675063963 /nfs/dbraw/zinc/06/39/63/675063963.db2.gz MCODORYOMONRKS-UHFFFAOYSA-N 1 1 372.849 2.394 20 10 FECDMO C[C@H](C(=O)Nc1nccs1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127216993 672033832 /nfs/dbraw/zinc/03/38/32/672033832.db2.gz VOGPAKUGAOLYNP-CQSZACIVSA-N 1 1 360.483 2.439 20 10 FECDMO C[C@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127216993 672033839 /nfs/dbraw/zinc/03/38/39/672033839.db2.gz VOGPAKUGAOLYNP-CQSZACIVSA-N 1 1 360.483 2.439 20 10 FECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1(O)CCCC1 ZINC000134266744 672121590 /nfs/dbraw/zinc/12/15/90/672121590.db2.gz MQIRTPFSJZPSQM-OAHLLOKOSA-N 1 1 352.862 2.431 20 10 FECDMO CCc1nc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cs1 ZINC000733330732 673409974 /nfs/dbraw/zinc/40/99/74/673409974.db2.gz KTMBTORSBFSVLH-UHFFFAOYSA-N 1 1 365.524 2.230 20 10 FECDMO COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)[NH+]3CCSCC3)C2)cc1 ZINC000819586368 675302882 /nfs/dbraw/zinc/30/28/82/675302882.db2.gz OHAWGUGEKGPTMI-HZPDHXFCSA-N 1 1 363.527 2.075 20 10 FECDMO Cc1cc(O)c(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)cc1Cl ZINC000824555301 675610147 /nfs/dbraw/zinc/61/01/47/675610147.db2.gz DOJBLVUWMVVSCF-UHFFFAOYSA-N 1 1 360.845 2.170 20 10 FECDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(Br)cc1O ZINC000824819846 675623136 /nfs/dbraw/zinc/62/31/36/675623136.db2.gz UXBJOMGPELTLIT-ZJUUUORDSA-N 1 1 350.278 2.408 20 10 FECDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824819846 675623137 /nfs/dbraw/zinc/62/31/37/675623137.db2.gz UXBJOMGPELTLIT-ZJUUUORDSA-N 1 1 350.278 2.408 20 10 FECDMO C[N@@H+](CCCO)C1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824814236 675623235 /nfs/dbraw/zinc/62/32/35/675623235.db2.gz NMKYGWINTPWJDD-UHFFFAOYSA-N 1 1 357.292 2.433 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1Cl ZINC000825886461 675672698 /nfs/dbraw/zinc/67/26/98/675672698.db2.gz PFBRHHLVZMJVCD-YVEFUNNKSA-N 1 1 351.834 2.307 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@](CO)(OC)C2)c1O ZINC000826952056 675718096 /nfs/dbraw/zinc/71/80/96/675718096.db2.gz FRFTYQPQLXKMKR-HNNXBMFYSA-N 1 1 360.248 2.137 20 10 FECDMO COc1c(O)c(C[NH2+]CC2(CC(N)=O)CCCCC2)ccc1[N+](=O)[O-] ZINC000827752165 675776639 /nfs/dbraw/zinc/77/66/39/675776639.db2.gz ZSQZNSQMRKBOQY-UHFFFAOYSA-N 1 1 351.403 2.225 20 10 FECDMO C[N@@H+](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000764197677 680802628 /nfs/dbraw/zinc/80/26/28/680802628.db2.gz QJOYPVRGSIROAS-IRXDYDNUSA-N 1 1 364.511 2.337 20 10 FECDMO CC[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(F)cc1O ZINC000840781428 680842466 /nfs/dbraw/zinc/84/24/66/680842466.db2.gz TTXBFUCIKHJREL-KRWDZBQOSA-N 1 1 352.450 2.453 20 10 FECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000840909685 680852143 /nfs/dbraw/zinc/85/21/43/680852143.db2.gz GNJVSLBJZANTKC-KRWDZBQOSA-N 1 1 353.532 2.355 20 10 FECDMO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000756446457 680479431 /nfs/dbraw/zinc/47/94/31/680479431.db2.gz QGHGGISKCXSWOZ-GFCCVEGCSA-N 1 1 352.431 2.431 20 10 FECDMO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cc(F)cc(F)c3O)C2=O)n(C)n1 ZINC000756732892 680495642 /nfs/dbraw/zinc/49/56/42/680495642.db2.gz NSMKGSOODHZVQJ-QMTHXVAHSA-N 1 1 350.369 2.168 20 10 FECDMO COC[C@]1(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC[NH2+]1 ZINC000841993975 680920563 /nfs/dbraw/zinc/92/05/63/680920563.db2.gz BUJGIPVSAFSNKX-OAHLLOKOSA-N 1 1 362.257 2.267 20 10 FECDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768439734 680947053 /nfs/dbraw/zinc/94/70/53/680947053.db2.gz MZERVGBSWXYFAG-AWEZNQCLSA-N 1 1 352.500 2.032 20 10 FECDMO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(F)cc1O ZINC000842882492 680973356 /nfs/dbraw/zinc/97/33/56/680973356.db2.gz GYIZNQYONJEGDN-YPMHNXCESA-N 1 1 351.399 2.417 20 10 FECDMO C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000846186658 681197581 /nfs/dbraw/zinc/19/75/81/681197581.db2.gz HJGOHHJLYDHZHU-RKDXNWHRSA-N 1 1 353.271 2.384 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@H](O)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000775022135 681268504 /nfs/dbraw/zinc/26/85/04/681268504.db2.gz FBGAYCJEIBMKFS-ZDUSSCGKSA-N 1 1 354.309 2.410 20 10 FECDMO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cccc(Br)c1O ZINC000776520194 681398828 /nfs/dbraw/zinc/39/88/28/681398828.db2.gz JSUZSEAQVDPEIA-OAHLLOKOSA-N 1 1 360.248 2.337 20 10 FECDMO CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1O ZINC000934263224 681537972 /nfs/dbraw/zinc/53/79/72/681537972.db2.gz NLPNIFNBJPDYFA-IRXDYDNUSA-N 1 1 352.862 2.279 20 10 FECDMO C[C@@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C(=O)N1c1cnn(C)c1 ZINC000790970447 682716935 /nfs/dbraw/zinc/71/69/35/682716935.db2.gz JOKPFZSLLMPYTE-NOZJJQNGSA-N 1 1 352.797 2.202 20 10 FECDMO C[C@@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C(=O)N1c1cnn(C)c1 ZINC000790970449 682717107 /nfs/dbraw/zinc/71/71/07/682717107.db2.gz JOKPFZSLLMPYTE-RNCFNFMXSA-N 1 1 352.797 2.202 20 10 FECDMO Cc1cc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793595504 682897829 /nfs/dbraw/zinc/89/78/29/682897829.db2.gz YAZCDYALNUSLDZ-HNNXBMFYSA-N 1 1 354.516 2.464 20 10 FECDMO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000862535690 683598007 /nfs/dbraw/zinc/59/80/07/683598007.db2.gz WJQRZIIUSCZGKG-KRWDZBQOSA-N 1 1 359.495 2.461 20 10 FECDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000862535690 683598011 /nfs/dbraw/zinc/59/80/11/683598011.db2.gz WJQRZIIUSCZGKG-KRWDZBQOSA-N 1 1 359.495 2.461 20 10 FECDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000862550682 683600365 /nfs/dbraw/zinc/60/03/65/683600365.db2.gz GTCOFBPNEUHEOA-GOSISDBHSA-N 1 1 365.543 2.438 20 10 FECDMO CCO[C@H](CNCc1cc(Br)cc(OC)c1O)C[NH+](C)C ZINC000922756844 683778102 /nfs/dbraw/zinc/77/81/02/683778102.db2.gz PKNVBICLFDMAQD-CYBMUJFWSA-N 1 1 361.280 2.220 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c1 ZINC000866436671 684103847 /nfs/dbraw/zinc/10/38/47/684103847.db2.gz QDPYCSBNVXRIDA-NOZJJQNGSA-N 1 1 358.320 2.225 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](n2cncn2)C(F)(F)F)c1 ZINC000866436675 684103858 /nfs/dbraw/zinc/10/38/58/684103858.db2.gz QDPYCSBNVXRIDA-ZANVPECISA-N 1 1 358.320 2.225 20 10 FECDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000872796805 685017024 /nfs/dbraw/zinc/01/70/24/685017024.db2.gz VMQYXVDWUACERP-TZMCWYRMSA-N 1 1 353.484 2.262 20 10 FECDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000872796805 685017029 /nfs/dbraw/zinc/01/70/29/685017029.db2.gz VMQYXVDWUACERP-TZMCWYRMSA-N 1 1 353.484 2.262 20 10 FECDMO Cc1nc(C[NH+]2CCC(C(=O)NCc3ccc(O)cc3O)CC2)cs1 ZINC000910953503 685143532 /nfs/dbraw/zinc/14/35/32/685143532.db2.gz CMNUALBFFNSEBE-UHFFFAOYSA-N 1 1 361.467 2.391 20 10 FECDMO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882894887 687525017 /nfs/dbraw/zinc/52/50/17/687525017.db2.gz AKJHNNRWRCDTHP-UHFFFAOYSA-N 1 1 356.394 2.211 20 10 FECDMO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1c(O)cccc1F ZINC000886512379 688270660 /nfs/dbraw/zinc/27/06/60/688270660.db2.gz DNDAFMYILGVJMO-ZDUSSCGKSA-N 1 1 352.431 2.302 20 10 FECDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCc2cccc(Cl)c2O)cn1 ZINC000890761403 688963078 /nfs/dbraw/zinc/96/30/78/688963078.db2.gz QMFWOYONBXTQHE-CABCVRRESA-N 1 1 362.861 2.131 20 10 FECDMO COc1ccc(CNCC2([NH+]3CCCC3)CCOCC2)c(O)c1OC ZINC000892927705 689266483 /nfs/dbraw/zinc/26/64/83/689266483.db2.gz CVCXYHFWGRHRGT-UHFFFAOYSA-N 1 1 350.459 2.144 20 10 FECDMO COc1cc(C[NH+]2CC(C3CS(=O)(=O)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000895424146 689713990 /nfs/dbraw/zinc/71/39/90/689713990.db2.gz OXZHRSATRGONTO-UHFFFAOYSA-N 1 1 353.484 2.175 20 10 FECDMO O=C(NCc1cc(Cl)cc(Cl)c1O)C1C[NH+](C2CCOCC2)C1 ZINC000897768765 690077927 /nfs/dbraw/zinc/07/79/27/690077927.db2.gz IFZPIZSHZBYBOH-UHFFFAOYSA-N 1 1 359.253 2.426 20 10 FECDMO O=C(Nc1nccs1)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000057088926 540767993 /nfs/dbraw/zinc/76/79/93/540767993.db2.gz AZIGIWOURYZGBY-NSHDSACASA-N 1 1 361.423 2.428 20 10 FECDMO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C[C@H](O)CN1CCOCC1 ZINC000093583341 542934646 /nfs/dbraw/zinc/93/46/46/542934646.db2.gz PZDOBAUZRJCJOB-FQEVSTJZSA-N 1 1 356.466 2.184 20 10 FECDMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000104855486 543147559 /nfs/dbraw/zinc/14/75/59/543147559.db2.gz MDCXTDRENOMADX-IBGZPJMESA-N 1 1 363.477 2.277 20 10 FECDMO CCc1ccccc1NC(=O)CNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000111235130 543388583 /nfs/dbraw/zinc/38/85/83/543388583.db2.gz QSOQPKNDNPLEBC-UHFFFAOYSA-N 1 1 355.438 2.141 20 10 FECDMO CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111235130 543388586 /nfs/dbraw/zinc/38/85/86/543388586.db2.gz QSOQPKNDNPLEBC-UHFFFAOYSA-N 1 1 355.438 2.141 20 10 FECDMO CCC[N@H+](Cc1cc(C)cc(Br)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000802656216 674190437 /nfs/dbraw/zinc/19/04/37/674190437.db2.gz MACABHREEWUVSL-CYBMUJFWSA-N 1 1 369.259 2.432 20 10 FECDMO CCC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000802656216 674190440 /nfs/dbraw/zinc/19/04/40/674190440.db2.gz MACABHREEWUVSL-CYBMUJFWSA-N 1 1 369.259 2.432 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)Cc1ccccn1)cc2=O ZINC000125329303 543875378 /nfs/dbraw/zinc/87/53/78/543875378.db2.gz UMSJGCAHBRSUOM-UHFFFAOYSA-N 1 1 355.398 2.029 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)Cc1ccccn1)cc2=O ZINC000125329303 543875382 /nfs/dbraw/zinc/87/53/82/543875382.db2.gz UMSJGCAHBRSUOM-UHFFFAOYSA-N 1 1 355.398 2.029 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1OC ZINC000160100780 546007801 /nfs/dbraw/zinc/00/78/01/546007801.db2.gz HMPMRWFCMOQNPF-AWEZNQCLSA-N 1 1 350.459 2.394 20 10 FECDMO Cc1ccc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)c(O)c1O ZINC000182516648 547506620 /nfs/dbraw/zinc/50/66/20/547506620.db2.gz DHLLZXKRLWPEFC-UHFFFAOYSA-N 1 1 361.486 2.086 20 10 FECDMO CC[N@@H+](CC(N)=O)Cc1cc(Br)cc(Br)c1[O-] ZINC000188068429 548270398 /nfs/dbraw/zinc/27/03/98/548270398.db2.gz NPFFKDHCVYGYJU-UHFFFAOYSA-N 1 1 366.053 2.224 20 10 FECDMO CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)Cc2ccccc2O)n1 ZINC000264689588 549999559 /nfs/dbraw/zinc/99/95/59/549999559.db2.gz GWSJEHSYLIXDTR-UHFFFAOYSA-N 1 1 363.439 2.025 20 10 FECDMO CCOC(=O)Cc1csc(NC(=O)C[N@@H+](C)Cc2ccccc2O)n1 ZINC000264689588 549999561 /nfs/dbraw/zinc/99/95/61/549999561.db2.gz GWSJEHSYLIXDTR-UHFFFAOYSA-N 1 1 363.439 2.025 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000267467563 550032107 /nfs/dbraw/zinc/03/21/07/550032107.db2.gz WUAQWXKCCOGWKP-QGZVFWFLSA-N 1 1 355.486 2.314 20 10 FECDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000267944201 550035862 /nfs/dbraw/zinc/03/58/62/550035862.db2.gz ANAVHUZUPLTVOQ-QFBILLFUSA-N 1 1 360.502 2.005 20 10 FECDMO COc1cccc(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1O ZINC000271029689 550333239 /nfs/dbraw/zinc/33/32/39/550333239.db2.gz FVBGXCJAALDSTI-UHFFFAOYSA-N 1 1 370.405 2.088 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)c(O)c1 ZINC000271181684 550349783 /nfs/dbraw/zinc/34/97/83/550349783.db2.gz HTUUYHCBRUGCDZ-ZDUSSCGKSA-N 1 1 358.442 2.383 20 10 FECDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000272282508 550434149 /nfs/dbraw/zinc/43/41/49/550434149.db2.gz BVIPNULNLYHMSI-QUCCMNQESA-N 1 1 372.513 2.149 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)nc2)c1 ZINC000273395108 550497002 /nfs/dbraw/zinc/49/70/02/550497002.db2.gz LVLLWVVMCLJYTP-CQSZACIVSA-N 1 1 371.437 2.261 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000273407036 550497340 /nfs/dbraw/zinc/49/73/40/550497340.db2.gz OQMSJTNUWFQPKX-ZFWWWQNUSA-N 1 1 356.426 2.288 20 10 FECDMO CCOC(=O)N1CCC([NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273420067 550497829 /nfs/dbraw/zinc/49/78/29/550497829.db2.gz RWQSZKOMMVAGKQ-GFCCVEGCSA-N 1 1 350.415 2.450 20 10 FECDMO O=C(c1c(F)ccc(O)c1[O-])N1CCN(CCOc2ccccc2)CC1 ZINC000276489528 550578832 /nfs/dbraw/zinc/57/88/32/550578832.db2.gz GHKRIRRAMIVIIL-UHFFFAOYSA-N 1 1 360.385 2.074 20 10 FECDMO COc1c(O)c(C[NH2+]CC2(C(=O)N(C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000278852030 550828751 /nfs/dbraw/zinc/82/87/51/550828751.db2.gz LBGLFCAEPAMDKZ-UHFFFAOYSA-N 1 1 351.403 2.047 20 10 FECDMO COc1c(O)c(C[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278857297 550829575 /nfs/dbraw/zinc/82/95/75/550829575.db2.gz LQZHJNISMNJFFM-CHWSQXEVSA-N 1 1 367.446 2.286 20 10 FECDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279008764 550846096 /nfs/dbraw/zinc/84/60/96/550846096.db2.gz LJUVWSROCRTEFQ-FQEVSTJZSA-N 1 1 357.498 2.138 20 10 FECDMO COc1cccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1O ZINC000279876659 550938582 /nfs/dbraw/zinc/93/85/82/550938582.db2.gz JVLORYPYMJBVPM-RDJZCZTQSA-N 1 1 362.449 2.179 20 10 FECDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283361118 551353761 /nfs/dbraw/zinc/35/37/61/551353761.db2.gz FFHQGSJVRZXXPN-QGZVFWFLSA-N 1 1 374.529 2.140 20 10 FECDMO CCCOc1ccc(C[N@H+]2C[C@@H](OC)C[C@H]2C(=O)N2CCCC2)c(O)c1 ZINC000284491208 551561231 /nfs/dbraw/zinc/56/12/31/551561231.db2.gz GHRIHBXUSQFYBP-ROUUACIJSA-N 1 1 362.470 2.393 20 10 FECDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286356807 551878244 /nfs/dbraw/zinc/87/82/44/551878244.db2.gz HFWPVDRNKRUJLD-IBGZPJMESA-N 1 1 374.529 2.092 20 10 FECDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)Cc1ccc(N3CCOCC3)cc1)C2 ZINC000289486417 552329181 /nfs/dbraw/zinc/32/91/81/552329181.db2.gz IXLXWKSHZODEPH-GOSISDBHSA-N 1 1 368.481 2.249 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC(F)(F)[C@H](C)C1)cc2=O ZINC000289702015 552364405 /nfs/dbraw/zinc/36/44/05/552364405.db2.gz HJYQREGRMQJQFX-SNVBAGLBSA-N 1 1 354.357 2.089 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC(F)(F)[C@H](C)C1)cc2=O ZINC000289702015 552364406 /nfs/dbraw/zinc/36/44/06/552364406.db2.gz HJYQREGRMQJQFX-SNVBAGLBSA-N 1 1 354.357 2.089 20 10 FECDMO COc1ccc(N2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)CC2)cc1 ZINC000290899552 552558403 /nfs/dbraw/zinc/55/84/03/552558403.db2.gz DVYXDDTXOAIOAB-UHFFFAOYSA-N 1 1 370.453 2.241 20 10 FECDMO COc1c(O)c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000291296369 552611835 /nfs/dbraw/zinc/61/18/35/552611835.db2.gz QAVTZSUDXXMZKJ-LJQANCHMSA-N 1 1 358.394 2.445 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000291296369 552611836 /nfs/dbraw/zinc/61/18/36/552611836.db2.gz QAVTZSUDXXMZKJ-LJQANCHMSA-N 1 1 358.394 2.445 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000296657424 553194485 /nfs/dbraw/zinc/19/44/85/553194485.db2.gz JPBAVYAUPFZUET-AWEZNQCLSA-N 1 1 370.421 2.051 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1O ZINC000296657424 553194487 /nfs/dbraw/zinc/19/44/87/553194487.db2.gz JPBAVYAUPFZUET-AWEZNQCLSA-N 1 1 370.421 2.051 20 10 FECDMO CN(C)c1ccc(CN(C(=O)NCCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000298874202 553483571 /nfs/dbraw/zinc/48/35/71/553483571.db2.gz LQFUELYKPXMKPW-UHFFFAOYSA-N 1 1 360.502 2.149 20 10 FECDMO O=C1COc2cc([N+](=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)cc2N1 ZINC000301588251 553663888 /nfs/dbraw/zinc/66/38/88/553663888.db2.gz BYVBUJUHBTZISD-UHFFFAOYSA-N 1 1 368.393 2.248 20 10 FECDMO O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2N1 ZINC000301792521 553679700 /nfs/dbraw/zinc/67/97/00/553679700.db2.gz RGSJBMXEOBVJER-SWLSCSKDSA-N 1 1 372.425 2.379 20 10 FECDMO CN(C)c1ccc(CNC(=O)C2([NH+]3CCN(C)CC3)CCCC2)cc1F ZINC000363298658 555073614 /nfs/dbraw/zinc/07/36/14/555073614.db2.gz IKHIQFDJFXHXKG-UHFFFAOYSA-N 1 1 362.493 2.068 20 10 FECDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(C)c3O)C2)nn1 ZINC000363910284 555211708 /nfs/dbraw/zinc/21/17/08/555211708.db2.gz UYINFAILUHSLNQ-CYBMUJFWSA-N 1 1 350.806 2.179 20 10 FECDMO Cc1nc(CN(C)[C@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC000364675692 555371157 /nfs/dbraw/zinc/37/11/57/555371157.db2.gz TXVDAJUIMLNOAJ-HNNXBMFYSA-N 1 1 374.441 2.299 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2cccc(-n3cncn3)c2)ccc1[N+](=O)[O-] ZINC000365811217 555672570 /nfs/dbraw/zinc/67/25/70/555672570.db2.gz CSCVRBYCJKEKEX-UHFFFAOYSA-N 1 1 355.354 2.180 20 10 FECDMO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cccc(F)c2O)C1 ZINC000367689957 556115183 /nfs/dbraw/zinc/11/51/83/556115183.db2.gz SRWFMMUPKKICFY-LBPRGKRZSA-N 1 1 370.471 2.393 20 10 FECDMO C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000368052770 556205510 /nfs/dbraw/zinc/20/55/10/556205510.db2.gz YQKUTBXFIMGIJX-IBGZPJMESA-N 1 1 372.557 2.124 20 10 FECDMO C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000368052770 556205513 /nfs/dbraw/zinc/20/55/13/556205513.db2.gz YQKUTBXFIMGIJX-IBGZPJMESA-N 1 1 372.557 2.124 20 10 FECDMO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCc2[nH+]ccn21 ZINC000368674510 556382396 /nfs/dbraw/zinc/38/23/96/556382396.db2.gz AABYUMSKNQOXFB-QGZVFWFLSA-N 1 1 358.417 2.053 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000370010637 556756831 /nfs/dbraw/zinc/75/68/31/556756831.db2.gz PMJDILIRMFNOGK-GOSISDBHSA-N 1 1 369.513 2.009 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c1O ZINC000370355187 556849264 /nfs/dbraw/zinc/84/92/64/556849264.db2.gz LLOAGWAXABKMCE-IRXDYDNUSA-N 1 1 350.434 2.155 20 10 FECDMO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371298471 557136144 /nfs/dbraw/zinc/13/61/44/557136144.db2.gz WEYURGRJIJBUAL-VQTJNVASSA-N 1 1 370.497 2.115 20 10 FECDMO O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371298471 557136147 /nfs/dbraw/zinc/13/61/47/557136147.db2.gz WEYURGRJIJBUAL-VQTJNVASSA-N 1 1 370.497 2.115 20 10 FECDMO COc1ccc(N2CCC([N@@H+](C)CC3CCS(=O)(=O)CC3)CC2)cc1 ZINC000371326141 557147226 /nfs/dbraw/zinc/14/72/26/557147226.db2.gz LETZCLQTTNFHFB-UHFFFAOYSA-N 1 1 366.527 2.421 20 10 FECDMO CN(C)c1ccc(C2=CC[N@@H+]([C@H]3CCCN(c4cnn(C)c4)C3=O)C2)cc1 ZINC000372800939 557565011 /nfs/dbraw/zinc/56/50/11/557565011.db2.gz KBVHRUMECPKKJC-FQEVSTJZSA-N 1 1 365.481 2.381 20 10 FECDMO CN(C)c1ccc(C2=CC[N@H+]([C@H]3CCCN(c4cnn(C)c4)C3=O)C2)cc1 ZINC000372800939 557565012 /nfs/dbraw/zinc/56/50/12/557565012.db2.gz KBVHRUMECPKKJC-FQEVSTJZSA-N 1 1 365.481 2.381 20 10 FECDMO O=C(C[N@H+]1CCCC12CCC2)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000373095375 557627664 /nfs/dbraw/zinc/62/76/64/557627664.db2.gz QKLZUURFUGHZKX-UHFFFAOYSA-N 1 1 361.461 2.297 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000374340541 557868450 /nfs/dbraw/zinc/86/84/50/557868450.db2.gz KQIBRACQAHYSFF-IBGZPJMESA-N 1 1 359.514 2.460 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1F ZINC000375534144 558044512 /nfs/dbraw/zinc/04/45/12/558044512.db2.gz SFIALKSIDSOCJC-SJORKVTESA-N 1 1 373.476 2.106 20 10 FECDMO COc1c(O)c(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)ccc1[N+](=O)[O-] ZINC000376468923 558177297 /nfs/dbraw/zinc/17/72/97/558177297.db2.gz NSCIMVLQYPSCRM-IBGZPJMESA-N 1 1 369.377 2.405 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)ccc1[N+](=O)[O-] ZINC000376468923 558177299 /nfs/dbraw/zinc/17/72/99/558177299.db2.gz NSCIMVLQYPSCRM-IBGZPJMESA-N 1 1 369.377 2.405 20 10 FECDMO COc1cccc(C[N@H+]2CCCC[C@@H]2COC(=O)N2CCOCC2)c1O ZINC000377691202 558398378 /nfs/dbraw/zinc/39/83/78/558398378.db2.gz FCFVCFQREJLQET-MRXNPFEDSA-N 1 1 364.442 2.224 20 10 FECDMO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000377691659 558398511 /nfs/dbraw/zinc/39/85/11/558398511.db2.gz HVHNANUYEMGOCY-HOTGVXAUSA-N 1 1 352.406 2.401 20 10 FECDMO CCCN1CC[NH+](C2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)CC1 ZINC000378563885 558583972 /nfs/dbraw/zinc/58/39/72/558583972.db2.gz YJUFGJDVMWGAEL-UHFFFAOYSA-N 1 1 361.486 2.038 20 10 FECDMO Cn1ncc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1Cl ZINC000815117802 674920846 /nfs/dbraw/zinc/92/08/46/674920846.db2.gz VJLFYUBCQCEFIS-CQSZACIVSA-N 1 1 361.877 2.065 20 10 FECDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000817155386 675106746 /nfs/dbraw/zinc/10/67/46/675106746.db2.gz XNLIWHXLURGAMD-GOSISDBHSA-N 1 1 362.543 2.475 20 10 FECDMO CCC[N@H+](C)CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000069092838 670479404 /nfs/dbraw/zinc/47/94/04/670479404.db2.gz HRBABMNAAPJHCL-UHFFFAOYSA-N 1 1 363.483 2.266 20 10 FECDMO CCC[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000069092838 670479408 /nfs/dbraw/zinc/47/94/08/670479408.db2.gz HRBABMNAAPJHCL-UHFFFAOYSA-N 1 1 363.483 2.266 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCSC(C)(C)C3)CC2)cc1 ZINC000083415455 670657604 /nfs/dbraw/zinc/65/76/04/670657604.db2.gz WYGWBVVRJWMVFD-UHFFFAOYSA-N 1 1 363.527 2.171 20 10 FECDMO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000116869267 670908638 /nfs/dbraw/zinc/90/86/38/670908638.db2.gz BRFLNIQCQAAHLD-LBPRGKRZSA-N 1 1 364.467 2.141 20 10 FECDMO COC(=O)C[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267417 672121576 /nfs/dbraw/zinc/12/15/76/672121576.db2.gz FERGQRHNZXLYAT-IUODEOHRSA-N 1 1 368.861 2.325 20 10 FECDMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000154054596 672209923 /nfs/dbraw/zinc/20/99/23/672209923.db2.gz ZOGRMNHQIKMFQE-QGZVFWFLSA-N 1 1 351.516 2.191 20 10 FECDMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000157083062 672254453 /nfs/dbraw/zinc/25/44/53/672254453.db2.gz IHSWLEFBCFGFEF-SNVBAGLBSA-N 1 1 372.263 2.211 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCS[C@@H](C)CC3)CC2)cc1 ZINC000192179165 672684339 /nfs/dbraw/zinc/68/43/39/672684339.db2.gz ACAIRQJIFMTYDR-INIZCTEOSA-N 1 1 363.527 2.171 20 10 FECDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000735073298 673480732 /nfs/dbraw/zinc/48/07/32/673480732.db2.gz MJQGXBHECDEKCD-CYBMUJFWSA-N 1 1 360.435 2.415 20 10 FECDMO COc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1O ZINC000824832339 675624555 /nfs/dbraw/zinc/62/45/55/675624555.db2.gz XTQWDZMLISSEME-YPMHNXCESA-N 1 1 358.360 2.243 20 10 FECDMO Cc1cc(Br)c(O)c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000827700215 675773507 /nfs/dbraw/zinc/77/35/07/675773507.db2.gz QBTGMSJZDNZVRG-HNNXBMFYSA-N 1 1 369.303 2.494 20 10 FECDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000830673928 677054125 /nfs/dbraw/zinc/05/41/25/677054125.db2.gz HSBGZLRLRUJUKL-OAHLLOKOSA-N 1 1 362.323 2.234 20 10 FECDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000830673928 677054128 /nfs/dbraw/zinc/05/41/28/677054128.db2.gz HSBGZLRLRUJUKL-OAHLLOKOSA-N 1 1 362.323 2.234 20 10 FECDMO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1cccc(O)c1O ZINC000760554186 680692316 /nfs/dbraw/zinc/69/23/16/680692316.db2.gz FZSQKOYCMUAOLU-OAHLLOKOSA-N 1 1 358.463 2.445 20 10 FECDMO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1cccc(O)c1O ZINC000760554186 680692317 /nfs/dbraw/zinc/69/23/17/680692317.db2.gz FZSQKOYCMUAOLU-OAHLLOKOSA-N 1 1 358.463 2.445 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000834883942 680279623 /nfs/dbraw/zinc/27/96/23/680279623.db2.gz SPBFLEMYIMIXBS-GFCCVEGCSA-N 1 1 363.435 2.433 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000756646751 680490145 /nfs/dbraw/zinc/49/01/45/680490145.db2.gz DFPKJPUKTHUYSB-LLVKDONJSA-N 1 1 350.415 2.449 20 10 FECDMO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Cl)cc1O ZINC000841749317 680910219 /nfs/dbraw/zinc/91/02/19/680910219.db2.gz CILFXSNPUOHURY-WVQJBOLRSA-N 1 1 351.834 2.417 20 10 FECDMO COc1cc(Br)cc(C[N@H+](C)CC(=O)N2CCCC2)c1O ZINC000768215172 680940847 /nfs/dbraw/zinc/94/08/47/680940847.db2.gz QZXSFZDYWKXJOQ-UHFFFAOYSA-N 1 1 357.248 2.218 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)CC(=O)N2CCCC2)c1O ZINC000768215172 680940848 /nfs/dbraw/zinc/94/08/48/680940848.db2.gz QZXSFZDYWKXJOQ-UHFFFAOYSA-N 1 1 357.248 2.218 20 10 FECDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCN1c1nccn2cnnc12 ZINC000770279255 681011504 /nfs/dbraw/zinc/01/15/04/681011504.db2.gz HELKNERRLQLZFM-LBPRGKRZSA-N 1 1 358.833 2.194 20 10 FECDMO CCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000934941350 681661764 /nfs/dbraw/zinc/66/17/64/681661764.db2.gz WVFPEXICLDFCQO-AWEZNQCLSA-N 1 1 363.849 2.051 20 10 FECDMO CCn1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000934941350 681661768 /nfs/dbraw/zinc/66/17/68/681661768.db2.gz WVFPEXICLDFCQO-AWEZNQCLSA-N 1 1 363.849 2.051 20 10 FECDMO CC[C@@H](C)[N@@H+](CC)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000852293906 682255581 /nfs/dbraw/zinc/25/55/81/682255581.db2.gz SIPDFCPOCRMTRZ-OAHLLOKOSA-N 1 1 351.466 2.399 20 10 FECDMO CCC[N@H+]1CC[C@H](NC(=O)NCc2cccc(Br)c2O)C1 ZINC000852628259 682310763 /nfs/dbraw/zinc/31/07/63/682310763.db2.gz BXNRBEWGNAYKRL-LBPRGKRZSA-N 1 1 356.264 2.438 20 10 FECDMO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788643759 682545844 /nfs/dbraw/zinc/54/58/44/682545844.db2.gz HDTRMZPQETUKDN-SNVBAGLBSA-N 1 1 354.394 2.389 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1O ZINC000789764515 682629595 /nfs/dbraw/zinc/62/95/95/682629595.db2.gz YJJGHCVYPCQDKQ-GFCCVEGCSA-N 1 1 373.291 2.316 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c1O ZINC000856789890 682811083 /nfs/dbraw/zinc/81/10/83/682811083.db2.gz RMVKLOXEZZYYJB-KRWDZBQOSA-N 1 1 363.410 2.493 20 10 FECDMO COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000858541976 682978815 /nfs/dbraw/zinc/97/88/15/682978815.db2.gz QQVVFCFPBLJYLS-SNVBAGLBSA-N 1 1 362.348 2.131 20 10 FECDMO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000858579164 682981134 /nfs/dbraw/zinc/98/11/34/682981134.db2.gz NDDFMRATVUXSEM-OLZOCXBDSA-N 1 1 355.866 2.236 20 10 FECDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000795654666 683077800 /nfs/dbraw/zinc/07/78/00/683077800.db2.gz UVSACNIKJAKOOX-OAHLLOKOSA-N 1 1 370.515 2.251 20 10 FECDMO Cc1ccnn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000860243120 683222128 /nfs/dbraw/zinc/22/21/28/683222128.db2.gz XZFMVGGFVYIWKJ-MRXNPFEDSA-N 1 1 362.861 2.331 20 10 FECDMO COCCNC(=O)C1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862215152 683551465 /nfs/dbraw/zinc/55/14/65/683551465.db2.gz DUGAQDTVEOEQNW-UHFFFAOYSA-N 1 1 355.429 2.005 20 10 FECDMO CCn1nc2c(cc1=O)C[N@H+](Cc1c(O)cccc1Br)CC2 ZINC000862251067 683558999 /nfs/dbraw/zinc/55/89/99/683558999.db2.gz ZWIVBFZOJLSXCL-UHFFFAOYSA-N 1 1 364.243 2.290 20 10 FECDMO C[C@H](C[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)NC(=O)OC(C)(C)C ZINC000863333009 683707006 /nfs/dbraw/zinc/70/70/06/683707006.db2.gz NEUXBPYBGGSOMI-ABAIWWIYSA-N 1 1 352.431 2.163 20 10 FECDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000863339693 683708612 /nfs/dbraw/zinc/70/86/12/683708612.db2.gz FPRGGTVKPGOMNP-CQSZACIVSA-N 1 1 352.500 2.032 20 10 FECDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000872796804 685017080 /nfs/dbraw/zinc/01/70/80/685017080.db2.gz VMQYXVDWUACERP-OCCSQVGLSA-N 1 1 353.484 2.262 20 10 FECDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000872796804 685017084 /nfs/dbraw/zinc/01/70/84/685017084.db2.gz VMQYXVDWUACERP-OCCSQVGLSA-N 1 1 353.484 2.262 20 10 FECDMO COc1cc(Cl)cc(C[NH2+]Cc2nnc(C3CCOCC3)[nH]2)c1O ZINC000877677435 686435274 /nfs/dbraw/zinc/43/52/74/686435274.db2.gz VOBKQCMQNQZKDE-UHFFFAOYSA-N 1 1 352.822 2.356 20 10 FECDMO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2cccc(C)c2O)CCO1 ZINC000877694360 686438119 /nfs/dbraw/zinc/43/81/19/686438119.db2.gz AXMDEDICGYLFOB-LJQANCHMSA-N 1 1 351.443 2.260 20 10 FECDMO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2cccc(C)c2O)CCO1 ZINC000877694360 686438128 /nfs/dbraw/zinc/43/81/28/686438128.db2.gz AXMDEDICGYLFOB-LJQANCHMSA-N 1 1 351.443 2.260 20 10 FECDMO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2cc(C)ccc2O)CCO1 ZINC000877694834 686439059 /nfs/dbraw/zinc/43/90/59/686439059.db2.gz HBNCBNOYXPEHNK-LJQANCHMSA-N 1 1 351.443 2.260 20 10 FECDMO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2cc(C)ccc2O)CCO1 ZINC000877694834 686439064 /nfs/dbraw/zinc/43/90/64/686439064.db2.gz HBNCBNOYXPEHNK-LJQANCHMSA-N 1 1 351.443 2.260 20 10 FECDMO CCOC(=O)[C@@H](C)C1C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000877829641 686472522 /nfs/dbraw/zinc/47/25/22/686472522.db2.gz YXWMWIAXDYKADE-AWEZNQCLSA-N 1 1 350.434 2.293 20 10 FECDMO C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)[C@H]2C1 ZINC000892030595 689142819 /nfs/dbraw/zinc/14/28/19/689142819.db2.gz BJSVTASTRZKEKY-AEFFLSMTSA-N 1 1 360.527 2.085 20 10 FECDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897235530 689992299 /nfs/dbraw/zinc/99/22/99/689992299.db2.gz UTKIACSYNNROMI-UHFFFAOYSA-N 1 1 364.467 2.231 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c1 ZINC000903271776 690877329 /nfs/dbraw/zinc/87/73/29/690877329.db2.gz NTAQHLUBRNJNOL-MAZHCROVSA-N 1 1 350.484 2.409 20 10 FECDMO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3ncccn3)CC2)cc1 ZINC000077241633 542358418 /nfs/dbraw/zinc/35/84/18/542358418.db2.gz RHFWRWWNBVJRIN-HNNXBMFYSA-N 1 1 355.442 2.025 20 10 FECDMO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3ncccn3)CC2)cc1 ZINC000077241633 542358422 /nfs/dbraw/zinc/35/84/22/542358422.db2.gz RHFWRWWNBVJRIN-HNNXBMFYSA-N 1 1 355.442 2.025 20 10 FECDMO CCC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CC(=O)N(C)C1=O ZINC000802656592 674190400 /nfs/dbraw/zinc/19/04/00/674190400.db2.gz QUBAKGDRIFBXSJ-LBPRGKRZSA-N 1 1 355.232 2.124 20 10 FECDMO C[C@H](C(=O)NCc1cc(Br)ccc1O)[NH+]1CCSCC1 ZINC000804738298 674299667 /nfs/dbraw/zinc/29/96/67/674299667.db2.gz KTYGICZYYCMREQ-SNVBAGLBSA-N 1 1 359.289 2.208 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1OC ZINC000160100901 546007675 /nfs/dbraw/zinc/00/76/75/546007675.db2.gz HMPMRWFCMOQNPF-CQSZACIVSA-N 1 1 350.459 2.394 20 10 FECDMO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c(C)n1-c1ccccn1 ZINC000162117668 546136397 /nfs/dbraw/zinc/13/63/97/546136397.db2.gz MEPLOIDHJSLOHR-MSOLQXFVSA-N 1 1 368.481 2.472 20 10 FECDMO Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c(C)n1-c1ccccn1 ZINC000162117668 546136400 /nfs/dbraw/zinc/13/64/00/546136400.db2.gz MEPLOIDHJSLOHR-MSOLQXFVSA-N 1 1 368.481 2.472 20 10 FECDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000171710448 546219493 /nfs/dbraw/zinc/21/94/93/546219493.db2.gz DQXQBPSQAMSOIW-JZLODUJNSA-N 1 1 368.481 2.494 20 10 FECDMO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H](C(N)=O)O1 ZINC000183125515 547606487 /nfs/dbraw/zinc/60/64/87/547606487.db2.gz CSCXFDUTGUKIOF-AUUYWEPGSA-N 1 1 356.422 2.046 20 10 FECDMO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H](C(N)=O)O1 ZINC000183125515 547606493 /nfs/dbraw/zinc/60/64/93/547606493.db2.gz CSCXFDUTGUKIOF-AUUYWEPGSA-N 1 1 356.422 2.046 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1O ZINC000184677033 547863342 /nfs/dbraw/zinc/86/33/42/547863342.db2.gz OWZSAIHFQKKIQW-ZDUSSCGKSA-N 1 1 368.861 2.125 20 10 FECDMO Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000186928794 548220454 /nfs/dbraw/zinc/22/04/54/548220454.db2.gz RSBIXXYQVDLDSG-JKSUJKDBSA-N 1 1 356.470 2.016 20 10 FECDMO Cc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000186928794 548220457 /nfs/dbraw/zinc/22/04/57/548220457.db2.gz RSBIXXYQVDLDSG-JKSUJKDBSA-N 1 1 356.470 2.016 20 10 FECDMO Cc1cc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000186935805 548224245 /nfs/dbraw/zinc/22/42/45/548224245.db2.gz XSRJSTXFQDTSMB-MRXNPFEDSA-N 1 1 370.497 2.406 20 10 FECDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000187515891 548258884 /nfs/dbraw/zinc/25/88/84/548258884.db2.gz SUKSZEOYVLSZCL-KRWDZBQOSA-N 1 1 374.529 2.273 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000193996659 548419755 /nfs/dbraw/zinc/41/97/55/548419755.db2.gz HLBPQDJYRIJUAC-QGZVFWFLSA-N 1 1 355.486 2.314 20 10 FECDMO Cc1cc(N2CCC(N(C)C(=O)Cc3ccc(N)cc3)CC2)nc(C)[nH+]1 ZINC000237288412 548814782 /nfs/dbraw/zinc/81/47/82/548814782.db2.gz TWZWYIZJXKHXIL-UHFFFAOYSA-N 1 1 353.470 2.346 20 10 FECDMO O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CSC[NH2+]1 ZINC000237894855 548862348 /nfs/dbraw/zinc/86/23/48/548862348.db2.gz VDGOKTPCSSOWKM-SMDDNHRTSA-N 1 1 357.426 2.036 20 10 FECDMO O=C(NCc1ccccc1O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277087409 550630747 /nfs/dbraw/zinc/63/07/47/550630747.db2.gz UYMGAESISAXGIJ-IBGZPJMESA-N 1 1 369.465 2.483 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278168001 550756558 /nfs/dbraw/zinc/75/65/58/550756558.db2.gz AVWNQOXZFVFRIJ-DZGCQCFKSA-N 1 1 358.442 2.232 20 10 FECDMO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278291901 550769631 /nfs/dbraw/zinc/76/96/31/550769631.db2.gz UYUFJOMUNMFORJ-AWEZNQCLSA-N 1 1 365.430 2.437 20 10 FECDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278291901 550769632 /nfs/dbraw/zinc/76/96/32/550769632.db2.gz UYUFJOMUNMFORJ-AWEZNQCLSA-N 1 1 365.430 2.437 20 10 FECDMO COc1c(O)c(C[NH2+]CCCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278900878 550833960 /nfs/dbraw/zinc/83/39/60/550833960.db2.gz RAWBSLFCLLEBPI-UHFFFAOYSA-N 1 1 355.391 2.313 20 10 FECDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1O ZINC000279507600 550897797 /nfs/dbraw/zinc/89/77/97/550897797.db2.gz WXLMZBASLGFHFO-OAHLLOKOSA-N 1 1 358.891 2.354 20 10 FECDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000289570203 552342045 /nfs/dbraw/zinc/34/20/45/552342045.db2.gz JLXYLMKHJGRLSH-CXAGYDPISA-N 1 1 351.834 2.307 20 10 FECDMO CCCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(O)c1 ZINC000289947848 552404011 /nfs/dbraw/zinc/40/40/11/552404011.db2.gz YPAUSVZNYCPWLC-IFXJQAMLSA-N 1 1 361.442 2.134 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292861000 552765706 /nfs/dbraw/zinc/76/57/06/552765706.db2.gz VHBALTFYVCPTJR-SFHVURJKSA-N 1 1 351.516 2.143 20 10 FECDMO Cn1cc([C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CC23CCOCC3)cn1 ZINC000295044067 552953676 /nfs/dbraw/zinc/95/36/76/552953676.db2.gz OZGPZMFFJNYING-MRXNPFEDSA-N 1 1 371.437 2.251 20 10 FECDMO NC(=O)c1cnccc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000302156844 553707745 /nfs/dbraw/zinc/70/77/45/553707745.db2.gz NWMVAIANKGAYCS-UHFFFAOYSA-N 1 1 365.481 2.325 20 10 FECDMO C[N@H+]1CCC[C@H](N2CCN(Cc3cc(Br)ccc3O)CC2)C1 ZINC000362376260 554967744 /nfs/dbraw/zinc/96/77/44/554967744.db2.gz MNWQSGOSVMPARA-INIZCTEOSA-N 1 1 368.319 2.367 20 10 FECDMO COc1ccc(O)c([C@H](C)[N@@H+]2CCc3ncnc(N4CCOCC4)c3C2)c1 ZINC000364624541 555355921 /nfs/dbraw/zinc/35/59/21/555355921.db2.gz TWRTXGRDYDITIY-AWEZNQCLSA-N 1 1 370.453 2.147 20 10 FECDMO COc1ccc(O)c([C@H](C)[N@H+]2CCc3ncnc(N4CCOCC4)c3C2)c1 ZINC000364624541 555355923 /nfs/dbraw/zinc/35/59/23/555355923.db2.gz TWRTXGRDYDITIY-AWEZNQCLSA-N 1 1 370.453 2.147 20 10 FECDMO C[C@@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cccc(O)c1O ZINC000365758775 555660960 /nfs/dbraw/zinc/66/09/60/555660960.db2.gz PKWIPUBFEFRXFK-KXBFYZLASA-N 1 1 370.449 2.459 20 10 FECDMO C[C@@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cccc(O)c1O ZINC000365758775 555660962 /nfs/dbraw/zinc/66/09/62/555660962.db2.gz PKWIPUBFEFRXFK-KXBFYZLASA-N 1 1 370.449 2.459 20 10 FECDMO COc1c([O-])c(C[N@H+]2CCC[C@@H]2[C@H]2CCCN2C(C)=O)ccc1[N+](=O)[O-] ZINC000365791648 555668185 /nfs/dbraw/zinc/66/81/85/555668185.db2.gz BAEAZWUSDBRXJI-HUUCEWRRSA-N 1 1 363.414 2.284 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCN2C(C)=O)ccc1[N+](=O)[O-] ZINC000365791648 555668190 /nfs/dbraw/zinc/66/81/90/555668190.db2.gz BAEAZWUSDBRXJI-HUUCEWRRSA-N 1 1 363.414 2.284 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCN2C(C)=O)ccc1[N+](=O)[O-] ZINC000365791648 555668192 /nfs/dbraw/zinc/66/81/92/555668192.db2.gz BAEAZWUSDBRXJI-HUUCEWRRSA-N 1 1 363.414 2.284 20 10 FECDMO Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)n1 ZINC000367656607 556106461 /nfs/dbraw/zinc/10/64/61/556106461.db2.gz DKZWLUKHRUJODC-QGZVFWFLSA-N 1 1 353.470 2.275 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000368972679 556463963 /nfs/dbraw/zinc/46/39/63/556463963.db2.gz HHFNGFVFLXDFEA-MRCXROJRSA-N 1 1 369.259 2.249 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000368972679 556463965 /nfs/dbraw/zinc/46/39/65/556463965.db2.gz HHFNGFVFLXDFEA-MRCXROJRSA-N 1 1 369.259 2.249 20 10 FECDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000372312990 557437271 /nfs/dbraw/zinc/43/72/71/557437271.db2.gz GGPAUZYKXQICAK-FQEVSTJZSA-N 1 1 356.514 2.025 20 10 FECDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCOC[C@H]1C1CC1 ZINC000372319382 557438616 /nfs/dbraw/zinc/43/86/16/557438616.db2.gz SMBZIYMGVVPVLV-OALUTQOASA-N 1 1 374.481 2.011 20 10 FECDMO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000372775192 557560116 /nfs/dbraw/zinc/56/01/16/557560116.db2.gz HROYBGYTGFRJRX-BONVTDFDSA-N 1 1 363.838 2.011 20 10 FECDMO COc1c(O)c(C[NH2+]C2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000373910250 557785061 /nfs/dbraw/zinc/78/50/61/557785061.db2.gz MWGCAGWAJCIFNM-UHFFFAOYSA-N 1 1 358.398 2.463 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC3(CCOCC3)[C@@H]1C)cc2=O ZINC000375235416 557996433 /nfs/dbraw/zinc/99/64/33/557996433.db2.gz BAAVEWWNNCSDRS-ZDUSSCGKSA-N 1 1 374.441 2.003 20 10 FECDMO CCn1cnnc1[C@@H]1C[N@@H+]([C@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000375919153 558099790 /nfs/dbraw/zinc/09/97/90/558099790.db2.gz ZAJJAFJFXAZMRZ-APWZRJJASA-N 1 1 371.485 2.269 20 10 FECDMO CCn1cnnc1[C@@H]1C[N@H+]([C@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000375919153 558099791 /nfs/dbraw/zinc/09/97/91/558099791.db2.gz ZAJJAFJFXAZMRZ-APWZRJJASA-N 1 1 371.485 2.269 20 10 FECDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377667549 558390924 /nfs/dbraw/zinc/39/09/24/558390924.db2.gz DNTDMHXSFLBRAU-QGZVFWFLSA-N 1 1 372.387 2.451 20 10 FECDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000529833412 562387557 /nfs/dbraw/zinc/38/75/57/562387557.db2.gz RMLRGCVZFXZNIA-OAHLLOKOSA-N 1 1 356.422 2.419 20 10 FECDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000529833412 562387558 /nfs/dbraw/zinc/38/75/58/562387558.db2.gz RMLRGCVZFXZNIA-OAHLLOKOSA-N 1 1 356.422 2.419 20 10 FECDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(O)c1 ZINC000809785413 674509874 /nfs/dbraw/zinc/50/98/74/674509874.db2.gz WHSJBMYPYOWRJZ-AWEZNQCLSA-N 1 1 368.499 2.085 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)[C@H](CO)COC(C)C)c1O ZINC000809768442 674509030 /nfs/dbraw/zinc/50/90/30/674509030.db2.gz LDBITENTLKKRFG-CYBMUJFWSA-N 1 1 362.264 2.381 20 10 FECDMO O=S(=O)(NCC[NH2+]Cc1cc(Cl)c(F)cc1O)c1cccs1 ZINC000816558053 675065223 /nfs/dbraw/zinc/06/52/23/675065223.db2.gz LHBASCWIHWJAOL-UHFFFAOYSA-N 1 1 364.851 2.314 20 10 FECDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000093360565 670751938 /nfs/dbraw/zinc/75/19/38/670751938.db2.gz RQLUWUPARQCEJN-SNVBAGLBSA-N 1 1 357.248 2.121 20 10 FECDMO CC[N@@H+](CC(=O)N1CCO[C@H](C)C1)Cc1cc(Br)ccc1O ZINC000174426641 672361110 /nfs/dbraw/zinc/36/11/10/672361110.db2.gz JZFXAHSINDTKPI-GFCCVEGCSA-N 1 1 371.275 2.224 20 10 FECDMO CN(C)c1ccc(C[N@@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1 ZINC000822575710 675492982 /nfs/dbraw/zinc/49/29/82/675492982.db2.gz WQGJTYBPCKWXQB-KRWDZBQOSA-N 1 1 351.491 2.412 20 10 FECDMO CN(C)c1ccc(C[NH2+]Cc2c(I)cnn2C)cc1 ZINC000865868626 684039256 /nfs/dbraw/zinc/03/92/56/684039256.db2.gz SLRGKSLRWZTNQM-UHFFFAOYSA-N 1 1 370.238 2.381 20 10 FECDMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C1=CC(=O)CS1 ZINC000765223120 680836039 /nfs/dbraw/zinc/83/60/39/680836039.db2.gz UPFZUSKRCKUACI-CYBMUJFWSA-N 1 1 354.472 2.333 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC[C@@H](SC)C1)cc2=O ZINC000749465613 680052350 /nfs/dbraw/zinc/05/23/50/680052350.db2.gz FVRZREVFLZIVQD-CYBMUJFWSA-N 1 1 364.471 2.329 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1 ZINC000835025422 680286761 /nfs/dbraw/zinc/28/67/61/680286761.db2.gz UOQUFSVORIPAHE-XQDHMALISA-N 1 1 351.516 2.027 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000835049887 680290799 /nfs/dbraw/zinc/29/07/99/680290799.db2.gz NCTOUHRHNIHFRM-HYXAFXHYSA-N 1 1 363.527 2.266 20 10 FECDMO CN(C)c1ccc(/C=C\C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000835049887 680290805 /nfs/dbraw/zinc/29/08/05/680290805.db2.gz NCTOUHRHNIHFRM-HYXAFXHYSA-N 1 1 363.527 2.266 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000756646752 680490396 /nfs/dbraw/zinc/49/03/96/680490396.db2.gz DFPKJPUKTHUYSB-NSHDSACASA-N 1 1 350.415 2.449 20 10 FECDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1O ZINC000843058505 680985032 /nfs/dbraw/zinc/98/50/32/680985032.db2.gz UTJZIDYWUIJIMZ-RHSMWYFYSA-N 1 1 365.905 2.434 20 10 FECDMO Fc1cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)ccc1N1CCOCC1 ZINC000843417592 681002935 /nfs/dbraw/zinc/00/29/35/681002935.db2.gz JPLXAWVOGVKDQQ-GOSISDBHSA-N 1 1 352.475 2.370 20 10 FECDMO Fc1cc(C[N@H+]2CCO[C@]3(CCSC3)C2)ccc1N1CCOCC1 ZINC000843417592 681002937 /nfs/dbraw/zinc/00/29/37/681002937.db2.gz JPLXAWVOGVKDQQ-GOSISDBHSA-N 1 1 352.475 2.370 20 10 FECDMO C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)c(Cl)cc1O ZINC000846186651 681197319 /nfs/dbraw/zinc/19/73/19/681197319.db2.gz HJGOHHJLYDHZHU-BDAKNGLRSA-N 1 1 353.271 2.384 20 10 FECDMO COC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000774889370 681246918 /nfs/dbraw/zinc/24/69/18/681246918.db2.gz ZSIWTXCPTNSWKZ-UHFFFAOYSA-N 1 1 352.387 2.474 20 10 FECDMO CCc1cccc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)c1O ZINC000848908972 681640913 /nfs/dbraw/zinc/64/09/13/681640913.db2.gz HFKUVTZJNLKAMR-UHFFFAOYSA-N 1 1 360.479 2.421 20 10 FECDMO CCc1cccc(C[N@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)c1O ZINC000848908972 681640919 /nfs/dbraw/zinc/64/09/19/681640919.db2.gz HFKUVTZJNLKAMR-UHFFFAOYSA-N 1 1 360.479 2.421 20 10 FECDMO COc1ccc(N(C)CC[N@@H+](C)CCn2cnc(Br)n2)cc1 ZINC000852211707 682240304 /nfs/dbraw/zinc/24/03/04/682240304.db2.gz OWAHBFNMSAAQOC-UHFFFAOYSA-N 1 1 368.279 2.117 20 10 FECDMO CC(C)[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@H](O)C(F)(F)F ZINC000865710448 684017325 /nfs/dbraw/zinc/01/73/25/684017325.db2.gz AGTXEYRXAOMVGE-IRXDYDNUSA-N 1 1 359.436 2.476 20 10 FECDMO CC1(C)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[S@]1=O ZINC000877570717 686412225 /nfs/dbraw/zinc/41/22/25/686412225.db2.gz QOSTYVOXHZODPX-XMMPIXPASA-N 1 1 350.528 2.381 20 10 FECDMO CC1(C)CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[S@]1=O ZINC000877570717 686412231 /nfs/dbraw/zinc/41/22/31/686412231.db2.gz QOSTYVOXHZODPX-XMMPIXPASA-N 1 1 350.528 2.381 20 10 FECDMO CN1CCN(c2ccc(C[N@@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000877694021 686438164 /nfs/dbraw/zinc/43/81/64/686438164.db2.gz XGINCZDIUVYFFI-DOTOQJQBSA-N 1 1 357.420 2.041 20 10 FECDMO CN1CCN(c2ccc(C[N@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000877694021 686438167 /nfs/dbraw/zinc/43/81/67/686438167.db2.gz XGINCZDIUVYFFI-DOTOQJQBSA-N 1 1 357.420 2.041 20 10 FECDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2O)CCC1(F)F ZINC000877695946 686439300 /nfs/dbraw/zinc/43/93/00/686439300.db2.gz HLPNOYZUXSSXMN-LBPRGKRZSA-N 1 1 359.369 2.430 20 10 FECDMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882967444 687536196 /nfs/dbraw/zinc/53/61/96/687536196.db2.gz HFVFAESCTNMFCL-JTQLQIEISA-N 1 1 356.394 2.429 20 10 FECDMO O=C(NCc1cccc(Cl)c1O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000890759431 688962646 /nfs/dbraw/zinc/96/26/46/688962646.db2.gz BLYCOOCVBXQHNG-IBGZPJMESA-N 1 1 360.841 2.299 20 10 FECDMO COC(=O)[C@@H]1[C@@H](C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000893910907 689427136 /nfs/dbraw/zinc/42/71/36/689427136.db2.gz QDAGRRJTPATOMD-CVEARBPZSA-N 1 1 354.397 2.009 20 10 FECDMO COC(=O)[C@H]1[C@H](C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000893911110 689427163 /nfs/dbraw/zinc/42/71/63/689427163.db2.gz QDAGRRJTPATOMD-JKSUJKDBSA-N 1 1 354.397 2.009 20 10 FECDMO COc1ccc(C[N@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c(O)c1OC ZINC000896398803 689868719 /nfs/dbraw/zinc/86/87/19/689868719.db2.gz WIPQFIXRKFGMJC-SCLBCKFNSA-N 1 1 350.415 2.120 20 10 FECDMO O=C1N[C@@H](C2CC[NH+](Cc3cccc(Br)c3O)CC2)CO1 ZINC000897023476 689965275 /nfs/dbraw/zinc/96/52/75/689965275.db2.gz CYJSTTUIGCGNJQ-CYBMUJFWSA-N 1 1 355.232 2.475 20 10 FECDMO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000901326014 690635669 /nfs/dbraw/zinc/63/56/69/690635669.db2.gz DFHAUPCFIHXVRQ-SFHVURJKSA-N 1 1 366.845 2.033 20 10 FECDMO CN1CCN(c2ccc(CN3CC[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cc2)CC1 ZINC000903983058 690992084 /nfs/dbraw/zinc/99/20/84/690992084.db2.gz BFBHRRDJRGFNFY-IAGOWNOFSA-N 1 1 356.436 2.150 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CCCN2CCCO)c1 ZINC000824565609 675610991 /nfs/dbraw/zinc/61/09/91/675610991.db2.gz YZPNIYUGAHHFAJ-AWEZNQCLSA-N 1 1 357.292 2.400 20 10 FECDMO CN(C)c1[nH+]cc(CNC(=O)NCc2c(O)ccc3c2CCCC3)n1C ZINC000083738802 542704458 /nfs/dbraw/zinc/70/44/58/542704458.db2.gz NPLRZDMRLHFENZ-UHFFFAOYSA-N 1 1 357.458 2.070 20 10 FECDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000085394456 542726306 /nfs/dbraw/zinc/72/63/06/542726306.db2.gz ANAVHUZUPLTVOQ-APWZRJJASA-N 1 1 360.502 2.005 20 10 FECDMO CCCOc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(O)c1 ZINC000092044956 542840989 /nfs/dbraw/zinc/84/09/89/542840989.db2.gz DEVNZMQKKYCANN-QGZVFWFLSA-N 1 1 368.499 2.181 20 10 FECDMO COc1ccc(N2CCCN(C(=O)[C@H](C)[NH+]3CCSCC3)CC2)cc1 ZINC000131329476 544186040 /nfs/dbraw/zinc/18/60/40/544186040.db2.gz JVURRGULVVMNNY-INIZCTEOSA-N 1 1 363.527 2.171 20 10 FECDMO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]2C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000152974320 544719014 /nfs/dbraw/zinc/71/90/14/544719014.db2.gz ONDXGOKWONEFGI-CALCHBBNSA-N 1 1 361.461 2.010 20 10 FECDMO CCN1CCN(c2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2F)CC1 ZINC000178882581 546865893 /nfs/dbraw/zinc/86/58/93/546865893.db2.gz PGTRPSUCGXVKHR-UHFFFAOYSA-N 1 1 370.472 2.356 20 10 FECDMO CCCc1[nH+]ccn1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000179176304 546909963 /nfs/dbraw/zinc/90/99/63/546909963.db2.gz ZORICYRAJCRJGK-UHFFFAOYSA-N 1 1 360.433 2.128 20 10 FECDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cn1 ZINC000180683485 547158274 /nfs/dbraw/zinc/15/82/74/547158274.db2.gz IURHQKUIIRXTDV-QPJJXVBHSA-N 1 1 350.378 2.317 20 10 FECDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000180706666 547163828 /nfs/dbraw/zinc/16/38/28/547163828.db2.gz RUJDLOSTWJVUKP-WGPAFIDWSA-N 1 1 360.454 2.211 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1O ZINC000184703278 547868334 /nfs/dbraw/zinc/86/83/34/547868334.db2.gz ZAFZWRFUIRQDKK-CQSZACIVSA-N 1 1 374.890 2.054 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1O ZINC000184703278 547868338 /nfs/dbraw/zinc/86/83/38/547868338.db2.gz ZAFZWRFUIRQDKK-CQSZACIVSA-N 1 1 374.890 2.054 20 10 FECDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000185589217 548006483 /nfs/dbraw/zinc/00/64/83/548006483.db2.gz SNDYZRYIKSRNTP-GOSISDBHSA-N 1 1 373.545 2.112 20 10 FECDMO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278104146 550749453 /nfs/dbraw/zinc/74/94/53/550749453.db2.gz AIXQVCOHESUNQN-TXNHMLTKSA-N 1 1 356.444 2.478 20 10 FECDMO COc1c(O)c(C[NH2+][C@H]2CC(=O)N(C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000278522313 550794959 /nfs/dbraw/zinc/79/49/59/550794959.db2.gz SFQOCSNGBXIYKQ-ZDUSSCGKSA-N 1 1 363.414 2.332 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](CO)C[C@@H](OCCOC)C2)cc1 ZINC000278748134 550817769 /nfs/dbraw/zinc/81/77/69/550817769.db2.gz RWCBKLOZIXHUGZ-UYAOXDASSA-N 1 1 350.503 2.379 20 10 FECDMO Cc1cc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c(C)n1-c1ccccn1 ZINC000281679405 551129613 /nfs/dbraw/zinc/12/96/13/551129613.db2.gz FBCWROSRGYIENK-UHFFFAOYSA-N 1 1 369.513 2.245 20 10 FECDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000282326297 551212039 /nfs/dbraw/zinc/21/20/39/551212039.db2.gz ALFCGLQHSZKNLS-DOTOQJQBSA-N 1 1 361.486 2.107 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000289273721 552293635 /nfs/dbraw/zinc/29/36/35/552293635.db2.gz GNKWEHWKYXXUKY-MNOVXSKESA-N 1 1 364.320 2.302 20 10 FECDMO NC(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000289690526 552362413 /nfs/dbraw/zinc/36/24/13/552362413.db2.gz FLXXPFOLOWNIOB-KRWDZBQOSA-N 1 1 359.857 2.390 20 10 FECDMO C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[N@H+](C2CCC2)C1 ZINC000292068430 552690252 /nfs/dbraw/zinc/69/02/52/552690252.db2.gz CHMUHSOMMLLLGM-KRWDZBQOSA-N 1 1 358.530 2.175 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)C(C)(F)F)CC2)cc1 ZINC000293306348 552809614 /nfs/dbraw/zinc/80/96/14/552809614.db2.gz PYNLMPMBDMKRGB-CQSZACIVSA-N 1 1 355.429 2.225 20 10 FECDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@@H](C(N)=O)O1 ZINC000294998145 552950044 /nfs/dbraw/zinc/95/00/44/552950044.db2.gz YOHSFUJPPPDYPG-KDOFPFPSSA-N 1 1 359.495 2.459 20 10 FECDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C[C@@H](C(N)=O)O1 ZINC000294998145 552950046 /nfs/dbraw/zinc/95/00/46/552950046.db2.gz YOHSFUJPPPDYPG-KDOFPFPSSA-N 1 1 359.495 2.459 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1O ZINC000360331907 554871176 /nfs/dbraw/zinc/87/11/76/554871176.db2.gz BYMCIPHDXQKVEO-HNNXBMFYSA-N 1 1 368.861 2.268 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1O ZINC000360331907 554871179 /nfs/dbraw/zinc/87/11/79/554871179.db2.gz BYMCIPHDXQKVEO-HNNXBMFYSA-N 1 1 368.861 2.268 20 10 FECDMO C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890339 554893702 /nfs/dbraw/zinc/89/37/02/554893702.db2.gz XXOKMCOSGLIHBW-RYQLBKOJSA-N 1 1 363.477 2.176 20 10 FECDMO C[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890339 554893706 /nfs/dbraw/zinc/89/37/06/554893706.db2.gz XXOKMCOSGLIHBW-RYQLBKOJSA-N 1 1 363.477 2.176 20 10 FECDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3cc(Br)ccc3O)CC2)C1 ZINC000362376261 554968005 /nfs/dbraw/zinc/96/80/05/554968005.db2.gz MNWQSGOSVMPARA-MRXNPFEDSA-N 1 1 368.319 2.367 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](n3cncn3)C2)c1O ZINC000364534961 555331577 /nfs/dbraw/zinc/33/15/77/555331577.db2.gz YYDGEQIGWMNMGT-LBPRGKRZSA-N 1 1 353.220 2.202 20 10 FECDMO COc1cc(Br)cc(CN2CCC[N@H+]([C@@H](C)CO)CC2)c1O ZINC000364921582 555438423 /nfs/dbraw/zinc/43/84/23/555438423.db2.gz KHXCCPCBNGGTGU-LBPRGKRZSA-N 1 1 373.291 2.052 20 10 FECDMO COC[C@H](C)OC[C@H](O)C[N@@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000365739422 555656239 /nfs/dbraw/zinc/65/62/39/555656239.db2.gz VFXHSXLOTAQZEW-QFBILLFUSA-N 1 1 366.502 2.008 20 10 FECDMO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000366532588 555869630 /nfs/dbraw/zinc/86/96/30/555869630.db2.gz DIUJYWNIKHCLHP-SFHVURJKSA-N 1 1 366.527 2.312 20 10 FECDMO COc1ccc(N2CCC[N@@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000369187388 556529631 /nfs/dbraw/zinc/52/96/31/556529631.db2.gz IYBHCSWHMIMCBO-MRXNPFEDSA-N 1 1 371.403 2.371 20 10 FECDMO COc1ccc(N2CCC[N@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000369187388 556529632 /nfs/dbraw/zinc/52/96/32/556529632.db2.gz IYBHCSWHMIMCBO-MRXNPFEDSA-N 1 1 371.403 2.371 20 10 FECDMO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000370074631 556773623 /nfs/dbraw/zinc/77/36/23/556773623.db2.gz WQNYKHGVSJQXFK-NSHDSACASA-N 1 1 368.434 2.006 20 10 FECDMO CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000370074631 556773626 /nfs/dbraw/zinc/77/36/26/556773626.db2.gz WQNYKHGVSJQXFK-NSHDSACASA-N 1 1 368.434 2.006 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000370166458 556799846 /nfs/dbraw/zinc/79/98/46/556799846.db2.gz ZGMHQYYKTYDKDR-UHFFFAOYSA-N 1 1 374.890 2.054 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000370166458 556799848 /nfs/dbraw/zinc/79/98/48/556799848.db2.gz ZGMHQYYKTYDKDR-UHFFFAOYSA-N 1 1 374.890 2.054 20 10 FECDMO CCOC(=O)C1(C)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000373909020 557784653 /nfs/dbraw/zinc/78/46/53/557784653.db2.gz FBZLIQXSGIFURK-UHFFFAOYSA-N 1 1 352.387 2.474 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1OC ZINC000376941323 558242185 /nfs/dbraw/zinc/24/21/85/558242185.db2.gz NVASVDWQRSWCQX-CYBMUJFWSA-N 1 1 362.386 2.351 20 10 FECDMO COc1cccc(C[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1O ZINC000377701564 558400791 /nfs/dbraw/zinc/40/07/91/558400791.db2.gz UBUSTSPCLCYTAJ-CVEARBPZSA-N 1 1 364.442 2.270 20 10 FECDMO Cn1cc([C@H]2[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3)CCC[N@H+]2C)cn1 ZINC000378537489 558577918 /nfs/dbraw/zinc/57/79/18/558577918.db2.gz FAJKQWDKCWXNPJ-IVBWXWQKSA-N 1 1 370.453 2.044 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000527162640 562278454 /nfs/dbraw/zinc/27/84/54/562278454.db2.gz WTHGFPLOGHIBNQ-OAHLLOKOSA-N 1 1 358.486 2.254 20 10 FECDMO CC[C@@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CC[N@H+]1C[C@H](C)O ZINC000472219558 561021295 /nfs/dbraw/zinc/02/12/95/561021295.db2.gz GWBPMLUOSREULB-DOTOQJQBSA-N 1 1 372.513 2.473 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000808427490 674458627 /nfs/dbraw/zinc/45/86/27/674458627.db2.gz UERSWWGLDOBSAC-LLVKDONJSA-N 1 1 362.289 2.378 20 10 FECDMO Oc1ccc(Br)cc1C[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000809713618 674506781 /nfs/dbraw/zinc/50/67/81/674506781.db2.gz UPGSRGVRANCIJE-UHFFFAOYSA-N 1 1 374.242 2.479 20 10 FECDMO CC[NH+](CC)CCS(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000810080426 674530187 /nfs/dbraw/zinc/53/01/87/674530187.db2.gz XEUZLPYEDUOSGU-UHFFFAOYSA-N 1 1 355.287 2.460 20 10 FECDMO COc1cccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1O ZINC000826216158 608853587 /nfs/dbraw/zinc/85/35/87/608853587.db2.gz MTAIOSSGZVCMNE-KRWDZBQOSA-N 1 1 367.409 2.154 20 10 FECDMO Cc1cc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)ccc1N(C)C ZINC000815117213 674920796 /nfs/dbraw/zinc/92/07/96/674920796.db2.gz AJUFYXFMAALKDE-QGZVFWFLSA-N 1 1 365.543 2.355 20 10 FECDMO Cn1ccnc1CN1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1=O ZINC000816566868 675065438 /nfs/dbraw/zinc/06/54/38/675065438.db2.gz JPAKFFRYVNCFRR-AWEZNQCLSA-N 1 1 366.824 2.199 20 10 FECDMO COC(=O)C[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267435 672121485 /nfs/dbraw/zinc/12/14/85/672121485.db2.gz FERGQRHNZXLYAT-WFASDCNBSA-N 1 1 368.861 2.325 20 10 FECDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000157083219 672254535 /nfs/dbraw/zinc/25/45/35/672254535.db2.gz IHSWLEFBCFGFEF-JTQLQIEISA-N 1 1 372.263 2.211 20 10 FECDMO C[N@@H+](CCN1CCCS1(=O)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000746296377 673871366 /nfs/dbraw/zinc/87/13/66/673871366.db2.gz KXAAPUPDGFGSCY-UHFFFAOYSA-N 1 1 351.516 2.144 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000825124679 675637763 /nfs/dbraw/zinc/63/77/63/675637763.db2.gz WAFBPIBWTWOIIQ-NOZJJQNGSA-N 1 1 350.293 2.054 20 10 FECDMO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](C)S(C)(=O)=O ZINC000827945626 675788139 /nfs/dbraw/zinc/78/81/39/675788139.db2.gz YATGOUXFZROQFW-JTQLQIEISA-N 1 1 350.278 2.410 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](C)S(C)(=O)=O ZINC000827945626 675788140 /nfs/dbraw/zinc/78/81/40/675788140.db2.gz YATGOUXFZROQFW-JTQLQIEISA-N 1 1 350.278 2.410 20 10 FECDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828461367 675821962 /nfs/dbraw/zinc/82/19/62/675821962.db2.gz UQZCPZUWFLNKDU-KRWDZBQOSA-N 1 1 351.516 2.109 20 10 FECDMO C[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)[N@@H+](C)C1CC1 ZINC000761230699 680715740 /nfs/dbraw/zinc/71/57/40/680715740.db2.gz VTVASFPQHDPKAZ-NSHDSACASA-N 1 1 351.834 2.293 20 10 FECDMO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840141721 680801644 /nfs/dbraw/zinc/80/16/44/680801644.db2.gz XEQFPVULUIQBPL-IAQYHMDHSA-N 1 1 360.376 2.134 20 10 FECDMO Cn1cc(C[N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)c(C(F)(F)F)n1 ZINC000768464041 680947661 /nfs/dbraw/zinc/94/76/61/680947661.db2.gz ZEVOALRDBIODSB-ZDUSSCGKSA-N 1 1 357.332 2.202 20 10 FECDMO O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000845060312 681100823 /nfs/dbraw/zinc/10/08/23/681100823.db2.gz GDMTYVBHAXFKGZ-HOTGVXAUSA-N 1 1 367.877 2.488 20 10 FECDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cccc(Br)c2O)C1 ZINC000775204522 681284806 /nfs/dbraw/zinc/28/48/06/681284806.db2.gz ORJWNAWUZBHYKA-TZMCWYRMSA-N 1 1 374.275 2.001 20 10 FECDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000775204522 681284809 /nfs/dbraw/zinc/28/48/09/681284809.db2.gz ORJWNAWUZBHYKA-TZMCWYRMSA-N 1 1 374.275 2.001 20 10 FECDMO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(C)cc(Br)c1O ZINC000776812541 681438443 /nfs/dbraw/zinc/43/84/43/681438443.db2.gz KAQXQSMHCNWGKK-GJZGRUSLSA-N 1 1 374.275 2.373 20 10 FECDMO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000776812616 681438453 /nfs/dbraw/zinc/43/84/53/681438453.db2.gz LZHYTORMLJNIGL-ZIAGYGMSSA-N 1 1 360.248 2.065 20 10 FECDMO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)c1O ZINC000848524854 681571447 /nfs/dbraw/zinc/57/14/47/681571447.db2.gz XWMXCMJKXQDCES-YPMHNXCESA-N 1 1 373.291 2.271 20 10 FECDMO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000858434863 682968214 /nfs/dbraw/zinc/96/82/14/682968214.db2.gz RKEGXKAHIOBWPI-CXAGYDPISA-N 1 1 364.877 2.294 20 10 FECDMO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000858579165 682981345 /nfs/dbraw/zinc/98/13/45/682981345.db2.gz NDDFMRATVUXSEM-STQMWFEESA-N 1 1 355.866 2.236 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CN1C[C@@H](C(F)F)CC1=O ZINC000795399409 683049295 /nfs/dbraw/zinc/04/92/95/683049295.db2.gz CVSHYXJBWCPKOS-HNNXBMFYSA-N 1 1 353.413 2.026 20 10 FECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CN1C[C@@H](C(F)F)CC1=O ZINC000795399409 683049296 /nfs/dbraw/zinc/04/92/96/683049296.db2.gz CVSHYXJBWCPKOS-HNNXBMFYSA-N 1 1 353.413 2.026 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000862427591 683590049 /nfs/dbraw/zinc/59/00/49/683590049.db2.gz BONNPZZEKINPSN-LBPRGKRZSA-N 1 1 357.248 2.216 20 10 FECDMO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCCSc1nccs1 ZINC000876662158 686238879 /nfs/dbraw/zinc/23/88/79/686238879.db2.gz MBXRHQJBVTXWAM-OAHLLOKOSA-N 1 1 364.540 2.201 20 10 FECDMO CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NCCCSc1nccs1 ZINC000876662158 686238884 /nfs/dbraw/zinc/23/88/84/686238884.db2.gz MBXRHQJBVTXWAM-OAHLLOKOSA-N 1 1 364.540 2.201 20 10 FECDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000877761577 686450303 /nfs/dbraw/zinc/45/03/03/686450303.db2.gz LFNRYSGAMYVQFR-UHFFFAOYSA-N 1 1 359.495 2.267 20 10 FECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000877761577 686450304 /nfs/dbraw/zinc/45/03/04/686450304.db2.gz LFNRYSGAMYVQFR-UHFFFAOYSA-N 1 1 359.495 2.267 20 10 FECDMO Cn1nnnc1C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000877781454 686456417 /nfs/dbraw/zinc/45/64/17/686456417.db2.gz HURSMGWXAIFWQR-UHFFFAOYSA-N 1 1 352.236 2.058 20 10 FECDMO COc1ccc(N2CC[NH+](CCOC[C@@H]3CCCO3)CC2)c(OC)c1 ZINC000879461882 686827071 /nfs/dbraw/zinc/82/70/71/686827071.db2.gz IIIFEYWQNZUFER-KRWDZBQOSA-N 1 1 350.459 2.021 20 10 FECDMO COc1ccccc1CCNC(=O)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883109930 687567554 /nfs/dbraw/zinc/56/75/54/687567554.db2.gz JGZJQSQGBHSIAS-UHFFFAOYSA-N 1 1 350.365 2.128 20 10 FECDMO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1c(O)cccc1F ZINC000886629649 688284322 /nfs/dbraw/zinc/28/43/22/688284322.db2.gz KQYWRTVERAXJAU-NWDGAFQWSA-N 1 1 351.399 2.417 20 10 FECDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2cccc(Cl)c2O)C1 ZINC000891597046 689081570 /nfs/dbraw/zinc/08/15/70/689081570.db2.gz DWFHRYPGNWQJLR-AWEZNQCLSA-N 1 1 355.866 2.202 20 10 FECDMO CCC[C@H]1CN(Cc2ccc(OC)c(OC)c2O)CC[N@H+]1CCOC ZINC000892211921 689165130 /nfs/dbraw/zinc/16/51/30/689165130.db2.gz OFMALQIATRUVKH-INIZCTEOSA-N 1 1 352.475 2.342 20 10 FECDMO CCC[C@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)CCN1CCOC ZINC000892211921 689165135 /nfs/dbraw/zinc/16/51/35/689165135.db2.gz OFMALQIATRUVKH-INIZCTEOSA-N 1 1 352.475 2.342 20 10 FECDMO CCC[C@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2O)CCN1CCOC ZINC000892211921 689165139 /nfs/dbraw/zinc/16/51/39/689165139.db2.gz OFMALQIATRUVKH-INIZCTEOSA-N 1 1 352.475 2.342 20 10 FECDMO COC(=O)[C@@H]1[C@H](C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)C1(F)F ZINC000893879793 689422464 /nfs/dbraw/zinc/42/24/64/689422464.db2.gz JKGFMNOHPDZXPP-DZKIICNBSA-N 1 1 355.381 2.428 20 10 FECDMO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000897695859 690065158 /nfs/dbraw/zinc/06/51/58/690065158.db2.gz TWXJQTPWOSYXKT-QGZVFWFLSA-N 1 1 358.385 2.132 20 10 FECDMO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000092071192 542843152 /nfs/dbraw/zinc/84/31/52/542843152.db2.gz YVLPQLLTAJOYNS-IBGZPJMESA-N 1 1 363.527 2.333 20 10 FECDMO CCOCC[NH+]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000110919126 543374122 /nfs/dbraw/zinc/37/41/22/543374122.db2.gz FWLSIPHGJVBOKL-UHFFFAOYSA-N 1 1 356.470 2.283 20 10 FECDMO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000154018070 544852805 /nfs/dbraw/zinc/85/28/05/544852805.db2.gz GYDAXWIOBFAVMI-QGZVFWFLSA-N 1 1 365.905 2.468 20 10 FECDMO Oc1ccc(Br)cc1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000804828161 674302750 /nfs/dbraw/zinc/30/27/50/674302750.db2.gz UBSCZGAGQFQPLP-UHFFFAOYSA-N 1 1 365.231 2.393 20 10 FECDMO C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Br)ccc1[O-] ZINC000184899870 547895955 /nfs/dbraw/zinc/89/59/55/547895955.db2.gz XFZIAQBKDFUEBX-ZDUSSCGKSA-N 1 1 356.308 2.443 20 10 FECDMO C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1O ZINC000184980845 547911259 /nfs/dbraw/zinc/91/12/59/547911259.db2.gz NJENFMKWFSHFAL-OAHLLOKOSA-N 1 1 359.449 2.184 20 10 FECDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266633099 550022037 /nfs/dbraw/zinc/02/20/37/550022037.db2.gz VQZHITVHNRKVIZ-SFHVURJKSA-N 1 1 361.446 2.129 20 10 FECDMO COCC[N@H+]1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000266891011 550025110 /nfs/dbraw/zinc/02/51/10/550025110.db2.gz UVUSONUPBDKETO-SFHVURJKSA-N 1 1 362.518 2.393 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCc2ccc(OC)cc2)c1 ZINC000273362653 550495579 /nfs/dbraw/zinc/49/55/79/550495579.db2.gz DHBKTHOSZZICKL-CYBMUJFWSA-N 1 1 372.421 2.154 20 10 FECDMO COc1cc(N2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc(OC)c1OC ZINC000273453355 550499113 /nfs/dbraw/zinc/49/91/13/550499113.db2.gz GLOYPQLBZKQLSQ-UHFFFAOYSA-N 1 1 358.442 2.446 20 10 FECDMO COCCOCCOCC[N@@H+](C)Cc1cc(Br)ccc1O ZINC000276151383 550577127 /nfs/dbraw/zinc/57/71/27/550577127.db2.gz GMOPEUALHCCKQZ-UHFFFAOYSA-N 1 1 362.264 2.266 20 10 FECDMO COc1c(O)c(C[NH+]2CCC(C3(C)OCCO3)CC2)ccc1[N+](=O)[O-] ZINC000278223454 550762571 /nfs/dbraw/zinc/76/25/71/550762571.db2.gz LUNKHHVOEXEHFL-UHFFFAOYSA-N 1 1 352.387 2.284 20 10 FECDMO COc1c(O)c(C[NH+]2CCC(N3CCCCC3=O)CC2)ccc1[N+](=O)[O-] ZINC000278240786 550764520 /nfs/dbraw/zinc/76/45/20/550764520.db2.gz NUIODWZRODIDDC-UHFFFAOYSA-N 1 1 363.414 2.286 20 10 FECDMO COc1ccc(N2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)CC2)cc1 ZINC000289710547 552365764 /nfs/dbraw/zinc/36/57/64/552365764.db2.gz GEUFWJUJLFUSGQ-INIZCTEOSA-N 1 1 354.454 2.111 20 10 FECDMO CCN1CCN(c2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2F)CC1 ZINC000292048037 552688412 /nfs/dbraw/zinc/68/84/12/552688412.db2.gz IWYGZRJQWVXJFB-KRWDZBQOSA-N 1 1 362.493 2.116 20 10 FECDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 ZINC000295058409 552954872 /nfs/dbraw/zinc/95/48/72/552954872.db2.gz GJAONYVOFBLPRM-CQSZACIVSA-N 1 1 354.447 2.108 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000298753580 553468499 /nfs/dbraw/zinc/46/84/99/553468499.db2.gz PXUOBURIVNYRHB-FUHWJXTLSA-N 1 1 373.497 2.074 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)CCc3ccco3)CC2)cc1 ZINC000299504703 553572773 /nfs/dbraw/zinc/57/27/73/553572773.db2.gz PAOHQURQUXYKQD-UHFFFAOYSA-N 1 1 357.454 2.159 20 10 FECDMO COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)cc1F ZINC000364112664 555251924 /nfs/dbraw/zinc/25/19/24/555251924.db2.gz VFEVULQNYZZPJC-HOTGVXAUSA-N 1 1 361.461 2.357 20 10 FECDMO CCn1ccnc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1=O ZINC000368464365 556317363 /nfs/dbraw/zinc/31/73/63/556317363.db2.gz ACBUEZYZINVFSK-HNNXBMFYSA-N 1 1 362.861 2.699 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000371525266 557209847 /nfs/dbraw/zinc/20/98/47/557209847.db2.gz LXMDHMMEQFEEOM-NRFANRHFSA-N 1 1 371.456 2.101 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000371525266 557209849 /nfs/dbraw/zinc/20/98/49/557209849.db2.gz LXMDHMMEQFEEOM-NRFANRHFSA-N 1 1 371.456 2.101 20 10 FECDMO CCOc1ccc(O)c(C[N@@H+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)c1 ZINC000372428947 557468233 /nfs/dbraw/zinc/46/82/33/557468233.db2.gz SNHOGUXQYPUGGG-IYBDPMFKSA-N 1 1 372.469 2.300 20 10 FECDMO COCc1nccc([C@@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)n1 ZINC000372435550 557469770 /nfs/dbraw/zinc/46/97/70/557469770.db2.gz LIUWMXWEXUQGMN-CYBMUJFWSA-N 1 1 357.410 2.437 20 10 FECDMO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000372775193 557560169 /nfs/dbraw/zinc/56/01/69/557560169.db2.gz HROYBGYTGFRJRX-MEBBXXQBSA-N 1 1 363.838 2.011 20 10 FECDMO COc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c(O)c1 ZINC000373664634 557734053 /nfs/dbraw/zinc/73/40/53/557734053.db2.gz DXXCWDAALVBZKA-FQEVSTJZSA-N 1 1 370.449 2.215 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1 ZINC000377708714 558402308 /nfs/dbraw/zinc/40/23/08/558402308.db2.gz XQMYSFWIUKITSW-HOTGVXAUSA-N 1 1 364.442 2.270 20 10 FECDMO C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(N2CCOCC2)cc1 ZINC000825965848 608506891 /nfs/dbraw/zinc/50/68/91/608506891.db2.gz GBYFINOKIUVWFS-UHFFFAOYSA-N 1 1 370.482 2.397 20 10 FECDMO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cc(OC)c(OC)cc2O)no1 ZINC000811513579 674610457 /nfs/dbraw/zinc/61/04/57/674610457.db2.gz WVLKFYNWZVXXIF-UHFFFAOYSA-N 1 1 350.371 2.209 20 10 FECDMO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816537850 675063544 /nfs/dbraw/zinc/06/35/44/675063544.db2.gz VVDGETYSXUQHLQ-UHFFFAOYSA-N 1 1 372.849 2.394 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000824583004 675611926 /nfs/dbraw/zinc/61/19/26/675611926.db2.gz HAKAFRIYXHGRBH-CQSZACIVSA-N 1 1 357.292 2.400 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 ZINC000824832704 675624503 /nfs/dbraw/zinc/62/45/03/675624503.db2.gz ZJOMYYNJZVTUND-DGCLKSJQSA-N 1 1 358.360 2.243 20 10 FECDMO Cc1cc(Br)cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC000827118511 675730888 /nfs/dbraw/zinc/73/08/88/675730888.db2.gz CJJWLUSZWKFCAA-OAHLLOKOSA-N 1 1 355.276 2.370 20 10 FECDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H](O)C1CCC1 ZINC000827311286 675747248 /nfs/dbraw/zinc/74/72/48/675747248.db2.gz XYJOOEGVKZQGKJ-NVXWUHKLSA-N 1 1 352.862 2.287 20 10 FECDMO Nc1ccc(Cc2nc(C(=O)N3CC[NH+](CC4CC4)CC3)cs2)cc1 ZINC000827395490 675752845 /nfs/dbraw/zinc/75/28/45/675752845.db2.gz NHEIFMJPYJYPEZ-UHFFFAOYSA-N 1 1 356.495 2.484 20 10 FECDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768441341 680947041 /nfs/dbraw/zinc/94/70/41/680947041.db2.gz YOEYSUBLAIFAKV-GJZGRUSLSA-N 1 1 350.459 2.072 20 10 FECDMO [NH3+]C[C@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CC12CCOCC2 ZINC000843124437 680989036 /nfs/dbraw/zinc/98/90/36/680989036.db2.gz AUMQYBZPUFHSCB-ZDUSSCGKSA-N 1 1 355.276 2.342 20 10 FECDMO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCC(=O)C1 ZINC000843831523 681020979 /nfs/dbraw/zinc/02/09/79/681020979.db2.gz QEVQJRFXTIDWHD-IUODEOHRSA-N 1 1 350.846 2.495 20 10 FECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCC(=O)C1 ZINC000843831523 681020980 /nfs/dbraw/zinc/02/09/80/681020980.db2.gz QEVQJRFXTIDWHD-IUODEOHRSA-N 1 1 350.846 2.495 20 10 FECDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000775689788 681324210 /nfs/dbraw/zinc/32/42/10/681324210.db2.gz KLCAPQXWUMXZBZ-DLBZAZTESA-N 1 1 357.420 2.326 20 10 FECDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000775689788 681324215 /nfs/dbraw/zinc/32/42/15/681324215.db2.gz KLCAPQXWUMXZBZ-DLBZAZTESA-N 1 1 357.420 2.326 20 10 FECDMO C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847408116 681374918 /nfs/dbraw/zinc/37/49/18/681374918.db2.gz RKPUPOVFNMIAJQ-UPJWGTAASA-N 1 1 355.866 2.343 20 10 FECDMO C[C@H](CNC(=O)NCc1cc(Cl)ccc1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847408116 681374922 /nfs/dbraw/zinc/37/49/22/681374922.db2.gz RKPUPOVFNMIAJQ-UPJWGTAASA-N 1 1 355.866 2.343 20 10 FECDMO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)c1O ZINC000848524852 681571223 /nfs/dbraw/zinc/57/12/23/681571223.db2.gz XWMXCMJKXQDCES-WCQYABFASA-N 1 1 373.291 2.271 20 10 FECDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000849605801 681763660 /nfs/dbraw/zinc/76/36/60/681763660.db2.gz JXJAJWWGDZHYTB-HOTGVXAUSA-N 1 1 362.861 2.131 20 10 FECDMO Cn1ncc(Cl)c1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000780511349 681836130 /nfs/dbraw/zinc/83/61/30/681836130.db2.gz NBJXGDHCGNGFLP-CQSZACIVSA-N 1 1 361.877 2.065 20 10 FECDMO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000788670887 682548891 /nfs/dbraw/zinc/54/88/91/682548891.db2.gz KTQZOFICQGPQNK-MNOVXSKESA-N 1 1 366.405 2.343 20 10 FECDMO COc1cccc(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000793265158 682876191 /nfs/dbraw/zinc/87/61/91/682876191.db2.gz GOQVJFOOBGYCOR-AWEZNQCLSA-N 1 1 365.227 2.480 20 10 FECDMO Cn1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(Br)n1 ZINC000858106446 682934720 /nfs/dbraw/zinc/93/47/20/682934720.db2.gz JHAODENEMPFKCQ-UHFFFAOYSA-N 1 1 365.275 2.309 20 10 FECDMO C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000858434864 682968256 /nfs/dbraw/zinc/96/82/56/682968256.db2.gz RKEGXKAHIOBWPI-DYVFJYSZSA-N 1 1 364.877 2.294 20 10 FECDMO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000796481339 683164660 /nfs/dbraw/zinc/16/46/60/683164660.db2.gz FBDXPSPCOOMQJL-GWCFXTLKSA-N 1 1 364.870 2.382 20 10 FECDMO Oc1cccc(Br)c1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000862248526 683558620 /nfs/dbraw/zinc/55/86/20/683558620.db2.gz MAIAQJZICWQEKS-CYBMUJFWSA-N 1 1 355.276 2.309 20 10 FECDMO COC[C@@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2c(C)cccc2O)CCO1 ZINC000877695327 686438784 /nfs/dbraw/zinc/43/87/84/686438784.db2.gz OBJQDTRHNFENMZ-LJQANCHMSA-N 1 1 351.443 2.260 20 10 FECDMO COC[C@@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2c(C)cccc2O)CCO1 ZINC000877695327 686438792 /nfs/dbraw/zinc/43/87/92/686438792.db2.gz OBJQDTRHNFENMZ-LJQANCHMSA-N 1 1 351.443 2.260 20 10 FECDMO CCOC1CC(C[NH2+][C@H](C)c2c(O)cccc2F)(N2CCOCC2)C1 ZINC000886600811 688281937 /nfs/dbraw/zinc/28/19/37/688281937.db2.gz BSMRRNUZFVVKBE-TZGCNFNXSA-N 1 1 352.450 2.452 20 10 FECDMO COc1ccc(C[NH+]2CCN(Cc3csc(C)n3)CC2)c(O)c1OC ZINC000891548130 689076420 /nfs/dbraw/zinc/07/64/20/689076420.db2.gz YSCNNCJSFNYBQA-UHFFFAOYSA-N 1 1 363.483 2.492 20 10 FECDMO COc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)c(O)c1OC ZINC000894086896 689463667 /nfs/dbraw/zinc/46/36/67/689463667.db2.gz BWDCIJATJZUNGO-CQSZACIVSA-N 1 1 350.459 2.095 20 10 FECDMO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000902524577 690774427 /nfs/dbraw/zinc/77/44/27/690774427.db2.gz RUNHQHFZRRRQCQ-LBPRGKRZSA-N 1 1 360.435 2.402 20 10 FECDMO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000902523092 690774681 /nfs/dbraw/zinc/77/46/81/690774681.db2.gz IJCGUQHDAHNKFS-LBPRGKRZSA-N 1 1 364.467 2.128 20 10 FECDMO CO[C@@]1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCS(=O)(=O)C1 ZINC000903363679 690885917 /nfs/dbraw/zinc/88/59/17/690885917.db2.gz QSGJVCIISRNVHB-IINYFYTJSA-N 1 1 367.389 2.265 20 10 FECDMO COc1ccc(N2CC[NH+](Cc3cc(=O)n4cccc(C)c4n3)CC2)cc1 ZINC000045910910 540233835 /nfs/dbraw/zinc/23/38/35/540233835.db2.gz LVVBCIDJJBAIIR-UHFFFAOYSA-N 1 1 364.449 2.334 20 10 FECDMO COc1ccc(N2CCC([N@@H+](C)CC(=O)NCC(F)(F)F)CC2)cc1 ZINC000072801199 541868666 /nfs/dbraw/zinc/86/86/66/541868666.db2.gz DCICHAUTCGVJOV-UHFFFAOYSA-N 1 1 359.392 2.274 20 10 FECDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000073821925 542003917 /nfs/dbraw/zinc/00/39/17/542003917.db2.gz ZCXPGYQSOFSZPU-IBGZPJMESA-N 1 1 374.529 2.397 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000801507221 674132092 /nfs/dbraw/zinc/13/20/92/674132092.db2.gz BBVOLMANWRJHAR-KRWDZBQOSA-N 1 1 353.532 2.246 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+](CCO)CCOCC(F)(F)F)c1O ZINC000079434909 542518474 /nfs/dbraw/zinc/51/84/74/542518474.db2.gz FDFZAWUVEZPNQZ-UHFFFAOYSA-N 1 1 353.312 2.107 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@@H+](CCO)CCOCC(F)(F)F)c1O ZINC000079434909 542518478 /nfs/dbraw/zinc/51/84/78/542518478.db2.gz FDFZAWUVEZPNQZ-UHFFFAOYSA-N 1 1 353.312 2.107 20 10 FECDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000137256601 544387685 /nfs/dbraw/zinc/38/76/85/544387685.db2.gz SXPFKGZIQOCROP-QUCCMNQESA-N 1 1 372.513 2.149 20 10 FECDMO COc1ccc(N2CCN(CCC[NH2+][C@H]3CCN(C)[C@@H](C)C3)CC2)cc1 ZINC000162785185 546140923 /nfs/dbraw/zinc/14/09/23/546140923.db2.gz XCRDRLLMLJBTBX-OALUTQOASA-N 1 1 360.546 2.280 20 10 FECDMO C[C@@H]([N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1(C)CC1 ZINC000177231138 546575815 /nfs/dbraw/zinc/57/58/15/546575815.db2.gz FMTNAFNKEDZWCP-OAHLLOKOSA-N 1 1 363.477 2.399 20 10 FECDMO C[C@H]([NH2+]CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000181799599 547384071 /nfs/dbraw/zinc/38/40/71/547384071.db2.gz UDHYWQBSXUBCQP-HNNXBMFYSA-N 1 1 372.444 2.024 20 10 FECDMO CCC(CC)[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[NH+]1CCOCC1 ZINC000183431397 547657725 /nfs/dbraw/zinc/65/77/25/547657725.db2.gz JRYZSODLUJOAKW-KUHUBIRLSA-N 1 1 364.486 2.282 20 10 FECDMO CN(C)c1ccc(CNC(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1F ZINC000194893533 548546996 /nfs/dbraw/zinc/54/69/96/548546996.db2.gz VJTWLATZLBYJSZ-UHFFFAOYSA-N 1 1 373.476 2.154 20 10 FECDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268197467 550037660 /nfs/dbraw/zinc/03/76/60/550037660.db2.gz NZHXABINNPQSBF-HWZIQRBVSA-N 1 1 355.482 2.135 20 10 FECDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000272282505 550434076 /nfs/dbraw/zinc/43/40/76/550434076.db2.gz BVIPNULNLYHMSI-ICSRJNTNSA-N 1 1 372.513 2.149 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)n2)c1 ZINC000274799240 550555298 /nfs/dbraw/zinc/55/52/98/550555298.db2.gz UNTKYSJZYOZZND-CQSZACIVSA-N 1 1 371.437 2.261 20 10 FECDMO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(N(C)C)c(F)c2)CCCO1 ZINC000277360571 550660849 /nfs/dbraw/zinc/66/08/49/550660849.db2.gz IICUNUFGAMVETI-OAHLLOKOSA-N 1 1 366.481 2.192 20 10 FECDMO CCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278216767 550762060 /nfs/dbraw/zinc/76/20/60/550762060.db2.gz KVPCKPQOFQZINN-UHFFFAOYSA-N 1 1 365.430 2.437 20 10 FECDMO COc1c(O)c(C[NH2+]CCc2cccc(C(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC000278295567 550770004 /nfs/dbraw/zinc/77/00/04/550770004.db2.gz CGIRUKXHKOGMIJ-UHFFFAOYSA-N 1 1 373.409 2.343 20 10 FECDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000282326308 551212142 /nfs/dbraw/zinc/21/21/42/551212142.db2.gz ALFCGLQHSZKNLS-RDJZCZTQSA-N 1 1 361.486 2.107 20 10 FECDMO CCOc1cccc(C[NH+]2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1O ZINC000289791871 552379216 /nfs/dbraw/zinc/37/92/16/552379216.db2.gz MADPTLBJJTYYIO-LJQANCHMSA-N 1 1 369.465 2.135 20 10 FECDMO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000292008672 552684260 /nfs/dbraw/zinc/68/42/60/552684260.db2.gz UDQQCAFMXAMKEJ-UHFFFAOYSA-N 1 1 356.426 2.376 20 10 FECDMO Cc1cc(O)c(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000292459816 552728949 /nfs/dbraw/zinc/72/89/49/552728949.db2.gz OXRUKAQIIBSCHY-UHFFFAOYSA-N 1 1 364.467 2.167 20 10 FECDMO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](C)c2cc(F)ccc2O)CC1 ZINC000296249390 553129382 /nfs/dbraw/zinc/12/93/82/553129382.db2.gz CWFKIZRYWZPQGB-YYUOZPCZSA-N 1 1 357.447 2.369 20 10 FECDMO C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[N@H+](C2CC2)C1 ZINC000297364110 553283393 /nfs/dbraw/zinc/28/33/93/553283393.db2.gz LUWKONOGALXPFS-QGZVFWFLSA-N 1 1 372.513 2.149 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ncccc3C)CC2)cc1 ZINC000299506122 553572779 /nfs/dbraw/zinc/57/27/79/553572779.db2.gz PSYUUPYTCQNHGZ-UHFFFAOYSA-N 1 1 369.469 2.342 20 10 FECDMO COc1ccc(N2CCC([NH2+][C@@H](C)CCN3CCN(C)CC3)CC2)cc1 ZINC000364189316 555266368 /nfs/dbraw/zinc/26/63/68/555266368.db2.gz JDPWHJRUVXGTIP-SFHVURJKSA-N 1 1 360.546 2.280 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000365150911 555495888 /nfs/dbraw/zinc/49/58/88/555495888.db2.gz SPXONTFJDNULAB-HUUCEWRRSA-N 1 1 365.430 2.042 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000365150909 555496106 /nfs/dbraw/zinc/49/61/06/555496106.db2.gz SPXONTFJDNULAB-CABCVRRESA-N 1 1 365.430 2.042 20 10 FECDMO C[C@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cccc(O)c1O ZINC000365758773 555660934 /nfs/dbraw/zinc/66/09/34/555660934.db2.gz PKWIPUBFEFRXFK-DNVCBOLYSA-N 1 1 370.449 2.459 20 10 FECDMO C[C@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cccc(O)c1O ZINC000365758773 555660935 /nfs/dbraw/zinc/66/09/35/555660935.db2.gz PKWIPUBFEFRXFK-DNVCBOLYSA-N 1 1 370.449 2.459 20 10 FECDMO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000369423513 556597314 /nfs/dbraw/zinc/59/73/14/556597314.db2.gz GJIDAJFVKWTTPZ-KXBFYZLASA-N 1 1 371.485 2.350 20 10 FECDMO COC(=O)[C@]12C[N@@H+](Cc3cc(Cl)cc(OC)c3O)C[C@H]1COCC2 ZINC000369542483 556626646 /nfs/dbraw/zinc/62/66/46/556626646.db2.gz UJCCVODJBFFREN-YVEFUNNKSA-N 1 1 355.818 2.066 20 10 FECDMO CC(C)c1nc(CN2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC000371382321 557168476 /nfs/dbraw/zinc/16/84/76/557168476.db2.gz IRBUIYUGEDLKOP-UHFFFAOYSA-N 1 1 374.441 2.335 20 10 FECDMO CCc1nc(CN2CCC[C@@H]([N@@H+](C)Cc3cc4c(cc3O)OCO4)C2)no1 ZINC000378343183 558534350 /nfs/dbraw/zinc/53/43/50/558534350.db2.gz RQNNHKDATVASDQ-CQSZACIVSA-N 1 1 374.441 2.163 20 10 FECDMO CCN(C)C(=O)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444283887 560108166 /nfs/dbraw/zinc/10/81/66/560108166.db2.gz SCLVQFIPJPNGDY-UHFFFAOYSA-N 1 1 370.497 2.002 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c1O ZINC000528642829 562339937 /nfs/dbraw/zinc/33/99/37/562339937.db2.gz WSSUKEWFMAIBRE-INIZCTEOSA-N 1 1 351.418 2.487 20 10 FECDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000806855670 674392996 /nfs/dbraw/zinc/39/29/96/674392996.db2.gz UZYAQVHQDFIAQO-ZDUSSCGKSA-N 1 1 356.264 2.438 20 10 FECDMO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816502935 675060669 /nfs/dbraw/zinc/06/06/69/675060669.db2.gz WLRYWHJIBFSXHD-UHFFFAOYSA-N 1 1 357.857 2.171 20 10 FECDMO O=S(=O)(NCC[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816541156 675063933 /nfs/dbraw/zinc/06/39/33/675063933.db2.gz DSUXVWHWZANHCR-UHFFFAOYSA-N 1 1 358.822 2.253 20 10 FECDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C(=O)N1c1cnn(C)c1 ZINC000816554663 675064861 /nfs/dbraw/zinc/06/48/61/675064861.db2.gz FLMNALKEVJYSFJ-YMTOWFKASA-N 1 1 352.797 2.202 20 10 FECDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093664795 670755047 /nfs/dbraw/zinc/75/50/47/670755047.db2.gz LHGFPZSRAZGRKU-CYBMUJFWSA-N 1 1 355.276 2.309 20 10 FECDMO Oc1c(Br)cccc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093664795 670755048 /nfs/dbraw/zinc/75/50/48/670755048.db2.gz LHGFPZSRAZGRKU-CYBMUJFWSA-N 1 1 355.276 2.309 20 10 FECDMO CCOc1ccc(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000824563760 675610548 /nfs/dbraw/zinc/61/05/48/675610548.db2.gz BZRRBWRXYZKLHG-AWEZNQCLSA-N 1 1 354.447 2.108 20 10 FECDMO COc1cccc(O)c1C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000824828177 675623920 /nfs/dbraw/zinc/62/39/20/675623920.db2.gz LUJXAVSJZPLHQJ-NWDGAFQWSA-N 1 1 358.360 2.243 20 10 FECDMO COc1cc(Br)cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC000827119217 675730850 /nfs/dbraw/zinc/73/08/50/675730850.db2.gz JAVGJBCOGPXUDP-CQSZACIVSA-N 1 1 371.275 2.070 20 10 FECDMO Oc1cc(Br)ccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000827698650 675773496 /nfs/dbraw/zinc/77/34/96/675773496.db2.gz ADTMYXPUBVOMRF-OAHLLOKOSA-N 1 1 355.276 2.186 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)C2(CO)CCOCC2)c1O ZINC000827907510 675786132 /nfs/dbraw/zinc/78/61/32/675786132.db2.gz AJCPYFCLCLLBRR-UHFFFAOYSA-N 1 1 360.248 2.137 20 10 FECDMO C[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)[N@@H+](C)C1CC1 ZINC000761230696 680715732 /nfs/dbraw/zinc/71/57/32/680715732.db2.gz VTVASFPQHDPKAZ-LLVKDONJSA-N 1 1 351.834 2.293 20 10 FECDMO C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000763996642 680797534 /nfs/dbraw/zinc/79/75/34/680797534.db2.gz FNVCRLIMAFCSFX-QAPCUYQASA-N 1 1 363.527 2.138 20 10 FECDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000840975814 680858221 /nfs/dbraw/zinc/85/82/21/680858221.db2.gz AMNZBIGMIZEWPM-LLVKDONJSA-N 1 1 360.273 2.493 20 10 FECDMO COC(=O)[C@@H]1CSCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000840977872 680858493 /nfs/dbraw/zinc/85/84/93/680858493.db2.gz NUEJRWUDGGFNRG-NSHDSACASA-N 1 1 360.273 2.493 20 10 FECDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000840977872 680858494 /nfs/dbraw/zinc/85/84/94/680858494.db2.gz NUEJRWUDGGFNRG-NSHDSACASA-N 1 1 360.273 2.493 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)CCC(F)(F)F)cc2=O ZINC000748306006 679950458 /nfs/dbraw/zinc/95/04/58/679950458.db2.gz SPTNACVISKDJOG-UHFFFAOYSA-N 1 1 360.336 2.386 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)CCC(F)(F)F)cc2=O ZINC000748306006 679950459 /nfs/dbraw/zinc/95/04/59/679950459.db2.gz SPTNACVISKDJOG-UHFFFAOYSA-N 1 1 360.336 2.386 20 10 FECDMO CC(=O)c1cc(Cl)cc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1O ZINC000750044508 680097528 /nfs/dbraw/zinc/09/75/28/680097528.db2.gz YKDZCCNGQBDXHU-DLBZAZTESA-N 1 1 352.862 2.279 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1O ZINC000750819622 680134571 /nfs/dbraw/zinc/13/45/71/680134571.db2.gz DCQIBOAAHDBLEF-KRWDZBQOSA-N 1 1 350.434 2.421 20 10 FECDMO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000834877084 680279418 /nfs/dbraw/zinc/27/94/18/680279418.db2.gz DDGZECNCORUHFR-NXEZZACHSA-N 1 1 354.394 2.389 20 10 FECDMO COc1cccc(O)c1C[NH+]1CCN(CCCOCC(F)(F)F)CC1 ZINC000769111950 680971269 /nfs/dbraw/zinc/97/12/69/680971269.db2.gz UOESUXAKKHPEEK-UHFFFAOYSA-N 1 1 362.392 2.487 20 10 FECDMO CCN(CC)c1ccc(C[N@H+](C)CCN2CCCS2(=O)=O)cc1F ZINC000769557736 680987031 /nfs/dbraw/zinc/98/70/31/680987031.db2.gz PWVCXKDTJSTQKB-UHFFFAOYSA-N 1 1 357.495 2.139 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+](C)CCN2CCCS2(=O)=O)cc1F ZINC000769557736 680987033 /nfs/dbraw/zinc/98/70/33/680987033.db2.gz PWVCXKDTJSTQKB-UHFFFAOYSA-N 1 1 357.495 2.139 20 10 FECDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cccc(Br)c1O ZINC000843122350 680989120 /nfs/dbraw/zinc/98/91/20/680989120.db2.gz QTUMATNROALYLU-ZDUSSCGKSA-N 1 1 351.248 2.035 20 10 FECDMO CC(C)[C@H](CNC(=O)NCc1cc(Cl)ccc1O)N1CC[NH+](C)CC1 ZINC000844869672 681088958 /nfs/dbraw/zinc/08/89/58/681088958.db2.gz ULYJHTNCBTXWNX-INIZCTEOSA-N 1 1 368.909 2.117 20 10 FECDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845012965 681098696 /nfs/dbraw/zinc/09/86/96/681098696.db2.gz RYUPMLYLQUVDQT-CQSZACIVSA-N 1 1 368.909 2.118 20 10 FECDMO C[C@H]1C[N@@H+](CCCNC(=O)NCc2cc(Cl)ccc2O)CCCO1 ZINC000845154432 681107538 /nfs/dbraw/zinc/10/75/38/681107538.db2.gz XSCPBCRUZXPGFE-ZDUSSCGKSA-N 1 1 355.866 2.346 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@@H](O)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000775022133 681268489 /nfs/dbraw/zinc/26/84/89/681268489.db2.gz FBGAYCJEIBMKFS-CYBMUJFWSA-N 1 1 354.309 2.410 20 10 FECDMO COc1ccc(N2CC[NH+](CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1F ZINC000851808092 682142197 /nfs/dbraw/zinc/14/21/97/682142197.db2.gz KYZAFXIHVGFEEE-HOTGVXAUSA-N 1 1 351.466 2.066 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](CCF)C1)cc2=O ZINC000852533008 682297026 /nfs/dbraw/zinc/29/70/26/682297026.db2.gz ONDIPBZZIOYPFE-LBPRGKRZSA-N 1 1 350.394 2.183 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1O ZINC000789764520 682629544 /nfs/dbraw/zinc/62/95/44/682629544.db2.gz YJJGHCVYPCQDKQ-LBPRGKRZSA-N 1 1 373.291 2.316 20 10 FECDMO CC(C)[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)N1CCN(C)CC1 ZINC000858093453 682934007 /nfs/dbraw/zinc/93/40/07/682934007.db2.gz BTIQEGIFKKRSPH-IBGZPJMESA-N 1 1 354.489 2.392 20 10 FECDMO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000858542717 682978737 /nfs/dbraw/zinc/97/87/37/682978737.db2.gz WYKZOVDBJSQRRT-VIFPVBQESA-N 1 1 363.241 2.419 20 10 FECDMO CCO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)CN(C)C ZINC000926966627 683190426 /nfs/dbraw/zinc/19/04/26/683190426.db2.gz XOWAREJOVVUUPC-RDJZCZTQSA-N 1 1 353.482 2.280 20 10 FECDMO CCC[N@H+]1CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925352325 684552529 /nfs/dbraw/zinc/55/25/29/684552529.db2.gz JUUCZXKGKVFATB-CQSZACIVSA-N 1 1 351.834 2.294 20 10 FECDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000872796802 685017144 /nfs/dbraw/zinc/01/71/44/685017144.db2.gz VMQYXVDWUACERP-GXTWGEPZSA-N 1 1 353.484 2.262 20 10 FECDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1 ZINC000872796802 685017148 /nfs/dbraw/zinc/01/71/48/685017148.db2.gz VMQYXVDWUACERP-GXTWGEPZSA-N 1 1 353.484 2.262 20 10 FECDMO CN(Cc1cccs1)c1ccc(C[N@H+](C)CCS(N)(=O)=O)cc1 ZINC000877825922 686472194 /nfs/dbraw/zinc/47/21/94/686472194.db2.gz IVWRDKNPLYTOQO-UHFFFAOYSA-N 1 1 353.513 2.105 20 10 FECDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)CCS(N)(=O)=O)cc1 ZINC000877825922 686472197 /nfs/dbraw/zinc/47/21/97/686472197.db2.gz IVWRDKNPLYTOQO-UHFFFAOYSA-N 1 1 353.513 2.105 20 10 FECDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC000885891543 688179681 /nfs/dbraw/zinc/17/96/81/688179681.db2.gz WKPJHRDRDOMXTC-CYBMUJFWSA-N 1 1 362.451 2.296 20 10 FECDMO C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000894377057 689521202 /nfs/dbraw/zinc/52/12/02/689521202.db2.gz XZCSWHHIOOFOEL-UHFFFAOYSA-N 1 1 356.308 2.272 20 10 FECDMO C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000894377057 689521204 /nfs/dbraw/zinc/52/12/04/689521204.db2.gz XZCSWHHIOOFOEL-UHFFFAOYSA-N 1 1 356.308 2.272 20 10 FECDMO C[N@H+](Cc1cc(Br)cc(F)c1O)[C@H]1CCN2CCO[C@H]1C2 ZINC000894868547 689611656 /nfs/dbraw/zinc/61/16/56/689611656.db2.gz BZBKLFWOFKGYGX-KBPBESRZSA-N 1 1 359.239 2.199 20 10 FECDMO C[N@@H+](Cc1cc(Br)cc(F)c1O)[C@H]1CCN2CCO[C@H]1C2 ZINC000894868547 689611660 /nfs/dbraw/zinc/61/16/60/689611660.db2.gz BZBKLFWOFKGYGX-KBPBESRZSA-N 1 1 359.239 2.199 20 10 FECDMO COc1cc(O)c(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1OC ZINC000897176231 689984989 /nfs/dbraw/zinc/98/49/89/689984989.db2.gz QEQGDFMATHCAII-OAHLLOKOSA-N 1 1 351.443 2.163 20 10 FECDMO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@@H+]2Cc2cc(C)cc(OC)c2O)O1 ZINC000902537589 690775792 /nfs/dbraw/zinc/77/57/92/690775792.db2.gz NTBXEMUIXFTEQB-YESZJQIVSA-N 1 1 351.443 2.104 20 10 FECDMO COC[C@@H]1CC[C@H]([C@@H]2COCC[N@H+]2Cc2cc(C)cc(OC)c2O)O1 ZINC000902537589 690775795 /nfs/dbraw/zinc/77/57/95/690775795.db2.gz NTBXEMUIXFTEQB-YESZJQIVSA-N 1 1 351.443 2.104 20 10 FECDMO Cc1noc([C@H]2CCC[N@@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n1 ZINC000052861944 540495221 /nfs/dbraw/zinc/49/52/21/540495221.db2.gz YKVCHYBAGCVHCO-KRWDZBQOSA-N 1 1 371.485 2.282 20 10 FECDMO Cc1noc([C@H]2CCC[N@H+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)C2)n1 ZINC000052861944 540495224 /nfs/dbraw/zinc/49/52/24/540495224.db2.gz YKVCHYBAGCVHCO-KRWDZBQOSA-N 1 1 371.485 2.282 20 10 FECDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000066186833 541287590 /nfs/dbraw/zinc/28/75/90/541287590.db2.gz HRJBNKLRWWLJTF-HNNXBMFYSA-N 1 1 366.481 2.192 20 10 FECDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000113229714 543478552 /nfs/dbraw/zinc/47/85/52/543478552.db2.gz VADBEIADBONWNZ-JMPQJKKYSA-N 1 1 355.482 2.232 20 10 FECDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000115439777 543567690 /nfs/dbraw/zinc/56/76/90/543567690.db2.gz GLXNOYBSCNTHSZ-QPGLYAHGSA-N 1 1 357.498 2.337 20 10 FECDMO C[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CC[N@H+]1C ZINC000805187850 674324988 /nfs/dbraw/zinc/32/49/88/674324988.db2.gz YFNVQBWWTVXBHF-GXFFZTMASA-N 1 1 356.264 2.437 20 10 FECDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000158456119 545861915 /nfs/dbraw/zinc/86/19/15/545861915.db2.gz UAHSRAQSAIAIER-LJQANCHMSA-N 1 1 374.529 2.300 20 10 FECDMO Cc1cc(N2CCC(NC(=O)/C=C/c3ccc(O)c(O)c3)CC2)nc(C)[nH+]1 ZINC000180846527 547193490 /nfs/dbraw/zinc/19/34/90/547193490.db2.gz CTOVXDHDVWAMSI-GQCTYLIASA-N 1 1 368.437 2.303 20 10 FECDMO Cc1cc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c(C)n1-c1ccccn1 ZINC000184080687 547767047 /nfs/dbraw/zinc/76/70/47/547767047.db2.gz IDJMMWVWSCIJHM-MRXNPFEDSA-N 1 1 369.513 2.245 20 10 FECDMO Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000186928808 548221175 /nfs/dbraw/zinc/22/11/75/548221175.db2.gz RSBIXXYQVDLDSG-HZPDHXFCSA-N 1 1 356.470 2.016 20 10 FECDMO Cc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000186928808 548221180 /nfs/dbraw/zinc/22/11/80/548221180.db2.gz RSBIXXYQVDLDSG-HZPDHXFCSA-N 1 1 356.470 2.016 20 10 FECDMO C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@H+]1CC(C)(C)O ZINC000187515330 548258692 /nfs/dbraw/zinc/25/86/92/548258692.db2.gz MWQABMPIAFCGLP-QGZVFWFLSA-N 1 1 374.529 2.273 20 10 FECDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Cc3ccc(N)cc3)c2)CCO1 ZINC000237637005 548841370 /nfs/dbraw/zinc/84/13/70/548841370.db2.gz WBDFVCCJAQGODT-INIZCTEOSA-N 1 1 353.466 2.348 20 10 FECDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Cc3ccc(N)cc3)c2)CCO1 ZINC000237637005 548841374 /nfs/dbraw/zinc/84/13/74/548841374.db2.gz WBDFVCCJAQGODT-INIZCTEOSA-N 1 1 353.466 2.348 20 10 FECDMO COc1cc(CNC(=O)C[N@@H+](C)Cc2ccccc2O)cc(OC)c1OC ZINC000264607451 549998289 /nfs/dbraw/zinc/99/82/89/549998289.db2.gz MJMXIIFUJPIMLY-UHFFFAOYSA-N 1 1 374.437 2.166 20 10 FECDMO O=S1(=O)CCC(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000271307419 550363149 /nfs/dbraw/zinc/36/31/49/550363149.db2.gz QGFHPNGZTREUGC-KRWDZBQOSA-N 1 1 353.484 2.198 20 10 FECDMO COc1ccc(O)c(C[N@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)c1 ZINC000271873277 550407732 /nfs/dbraw/zinc/40/77/32/550407732.db2.gz SOWJSASLTFJNBH-UHFFFAOYSA-N 1 1 360.410 2.489 20 10 FECDMO COc1ccc(O)c(C[N@@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)c1 ZINC000271873277 550407734 /nfs/dbraw/zinc/40/77/34/550407734.db2.gz SOWJSASLTFJNBH-UHFFFAOYSA-N 1 1 360.410 2.489 20 10 FECDMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(O)c1O ZINC000273065285 550483266 /nfs/dbraw/zinc/48/32/66/550483266.db2.gz ZBYLODJPEHNVRF-SJLPKXTDSA-N 1 1 370.449 2.019 20 10 FECDMO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273535998 550502283 /nfs/dbraw/zinc/50/22/83/550502283.db2.gz XJNXQTVOPWHMRA-BBRMVZONSA-N 1 1 366.458 2.007 20 10 FECDMO CCOC(=O)CCC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000273615833 550505533 /nfs/dbraw/zinc/50/55/33/550505533.db2.gz PIPNPJWVYMBOLV-UHFFFAOYSA-N 1 1 366.458 2.178 20 10 FECDMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1c(F)ccc(O)c1O ZINC000276539491 550579148 /nfs/dbraw/zinc/57/91/48/550579148.db2.gz ISWMKDCAURJXMQ-HNNXBMFYSA-N 1 1 374.412 2.124 20 10 FECDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3cc4c(cc3O)OCO4)n2)c1 ZINC000278304222 550770907 /nfs/dbraw/zinc/77/09/07/550770907.db2.gz AEMBREQRSIMNCV-LLVKDONJSA-N 1 1 353.382 2.460 20 10 FECDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000278400866 550781713 /nfs/dbraw/zinc/78/17/13/550781713.db2.gz UDEZSVUNAIZVGZ-MRXNPFEDSA-N 1 1 360.502 2.147 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278514984 550793961 /nfs/dbraw/zinc/79/39/61/550793961.db2.gz QQUJNWNVZMMSOK-QGZVFWFLSA-N 1 1 350.346 2.445 20 10 FECDMO C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000283028042 551300143 /nfs/dbraw/zinc/30/01/43/551300143.db2.gz KJIPPLNADHJHAH-LPHOPBHVSA-N 1 1 359.514 2.242 20 10 FECDMO COC(=O)c1cn(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)nn1 ZINC000284529047 551570402 /nfs/dbraw/zinc/57/04/02/551570402.db2.gz ZTBPTEWLZWHGJD-QMMMGPOBSA-N 1 1 359.213 2.428 20 10 FECDMO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000285358959 551743774 /nfs/dbraw/zinc/74/37/74/551743774.db2.gz YWHPBPLUKNZRJW-CYBMUJFWSA-N 1 1 351.403 2.190 20 10 FECDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000285358959 551743776 /nfs/dbraw/zinc/74/37/76/551743776.db2.gz YWHPBPLUKNZRJW-CYBMUJFWSA-N 1 1 351.403 2.190 20 10 FECDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000289848733 552388454 /nfs/dbraw/zinc/38/84/54/552388454.db2.gz PKCCIMSERRJGKT-MRXNPFEDSA-N 1 1 372.444 2.046 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+]3CC[C@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000295202936 552969318 /nfs/dbraw/zinc/96/93/18/552969318.db2.gz NOHBLWOQSSYHEE-KRWDZBQOSA-N 1 1 366.527 2.168 20 10 FECDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](CS(C)(=O)=O)C3)cc2)CC1 ZINC000295202936 552969320 /nfs/dbraw/zinc/96/93/20/552969320.db2.gz NOHBLWOQSSYHEE-KRWDZBQOSA-N 1 1 366.527 2.168 20 10 FECDMO COC(=O)[C@H]([N@H+](C)Cc1ccc(N2CCOCC2)cc1)C1(OC)CCC1 ZINC000297855353 553347764 /nfs/dbraw/zinc/34/77/64/553347764.db2.gz OVMPNEATEVVREW-SFHVURJKSA-N 1 1 362.470 2.066 20 10 FECDMO COC(=O)[C@H]([N@@H+](C)Cc1ccc(N2CCOCC2)cc1)C1(OC)CCC1 ZINC000297855353 553347766 /nfs/dbraw/zinc/34/77/66/553347766.db2.gz OVMPNEATEVVREW-SFHVURJKSA-N 1 1 362.470 2.066 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000298753572 553468473 /nfs/dbraw/zinc/46/84/73/553468473.db2.gz PXUOBURIVNYRHB-AEFFLSMTSA-N 1 1 373.497 2.074 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000365533971 555601482 /nfs/dbraw/zinc/60/14/82/555601482.db2.gz DIXYUGKGPOHGGC-HLAWJBBLSA-N 1 1 370.541 2.127 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000368226622 556253208 /nfs/dbraw/zinc/25/32/08/556253208.db2.gz MABUQSQBJKKVLK-YOEHRIQHSA-N 1 1 366.414 2.109 20 10 FECDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000373111554 557630880 /nfs/dbraw/zinc/63/08/80/557630880.db2.gz UUMKZYBGRKPOBV-GFCCVEGCSA-N 1 1 371.397 2.118 20 10 FECDMO CN(C)c1ccc(C2=CC[N@@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)cc1 ZINC000374782864 557930723 /nfs/dbraw/zinc/93/07/23/557930723.db2.gz PZCBLUUORDDRAS-MRXNPFEDSA-N 1 1 363.527 2.123 20 10 FECDMO COc1ccc(N2CCC([N@@H+](C)C[C@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000375363238 558015538 /nfs/dbraw/zinc/01/55/38/558015538.db2.gz RWVUNBREEMCTLD-MRXNPFEDSA-N 1 1 366.527 2.421 20 10 FECDMO COc1c(O)c(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)ccc1[N+](=O)[O-] ZINC000375420480 558024480 /nfs/dbraw/zinc/02/44/80/558024480.db2.gz VJYBLRFRILCKIL-LBTNJELSSA-N 1 1 366.414 2.061 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)ccc1[N+](=O)[O-] ZINC000375420480 558024481 /nfs/dbraw/zinc/02/44/81/558024481.db2.gz VJYBLRFRILCKIL-LBTNJELSSA-N 1 1 366.414 2.061 20 10 FECDMO CCn1cnnc1[C@H]1C[N@@H+]([C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000375919156 558099687 /nfs/dbraw/zinc/09/96/87/558099687.db2.gz ZAJJAFJFXAZMRZ-QFBILLFUSA-N 1 1 371.485 2.269 20 10 FECDMO CCn1cnnc1[C@H]1C[N@H+]([C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000375919156 558099688 /nfs/dbraw/zinc/09/96/88/558099688.db2.gz ZAJJAFJFXAZMRZ-QFBILLFUSA-N 1 1 371.485 2.269 20 10 FECDMO COc1ccc(N2CCC(N(C)C(=O)c3csc(C[NH3+])n3)CC2)cc1 ZINC000378209747 558503507 /nfs/dbraw/zinc/50/35/07/558503507.db2.gz LFZJJDCCUHDFGE-UHFFFAOYSA-N 1 1 360.483 2.351 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000378440242 558557833 /nfs/dbraw/zinc/55/78/33/558557833.db2.gz AQOMWJUTFFFGQW-HOTGVXAUSA-N 1 1 361.442 2.231 20 10 FECDMO CC[C@H](O)C[NH+]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472244249 561021805 /nfs/dbraw/zinc/02/18/05/561021805.db2.gz SOEUBYHFRPJZSW-INIZCTEOSA-N 1 1 358.486 2.085 20 10 FECDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2cc(OC)ccc2O)CC1 ZINC000809786206 674509850 /nfs/dbraw/zinc/50/98/50/674509850.db2.gz TXDJPNFGTPHGDO-AWEZNQCLSA-N 1 1 370.515 2.283 20 10 FECDMO Oc1ccccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)C[C@H]1CCCO1 ZINC000826511536 608498796 /nfs/dbraw/zinc/49/87/96/608498796.db2.gz ULONHCLTPOFHHG-CQSZACIVSA-N 1 1 355.398 2.347 20 10 FECDMO Oc1ccccc1C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)C[C@H]1CCCO1 ZINC000826511536 608498797 /nfs/dbraw/zinc/49/87/97/608498797.db2.gz ULONHCLTPOFHHG-CQSZACIVSA-N 1 1 355.398 2.347 20 10 FECDMO C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000067244417 670456014 /nfs/dbraw/zinc/45/60/14/670456014.db2.gz GIQZVPVLTFIQPA-ZDUSSCGKSA-N 1 1 374.491 2.373 20 10 FECDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000116869264 670909001 /nfs/dbraw/zinc/90/90/01/670909001.db2.gz BRFLNIQCQAAHLD-GFCCVEGCSA-N 1 1 364.467 2.141 20 10 FECDMO CC(C)[C@@H](CNC(=O)NCCCSc1nccs1)[NH+]1CCOCC1 ZINC000151956859 672172482 /nfs/dbraw/zinc/17/24/82/672172482.db2.gz HSQSPLNVLLTLDU-CQSZACIVSA-N 1 1 372.560 2.281 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH+]2CCC3(CNC(=O)N3C)CC2)c1 ZINC000822529975 675490943 /nfs/dbraw/zinc/49/09/43/675490943.db2.gz MGPJDYTUSNCJBN-UHFFFAOYSA-N 1 1 368.275 2.453 20 10 FECDMO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000824576143 675611593 /nfs/dbraw/zinc/61/15/93/675611593.db2.gz AXOSDGNCAMSSAT-GFCCVEGCSA-N 1 1 373.247 2.436 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000824576143 675611594 /nfs/dbraw/zinc/61/15/94/675611594.db2.gz AXOSDGNCAMSSAT-GFCCVEGCSA-N 1 1 373.247 2.436 20 10 FECDMO C[N@H+]1CCC[C@H](N2CCN(Cc3ccc(Br)cc3O)CC2)C1 ZINC000824761671 675620619 /nfs/dbraw/zinc/62/06/19/675620619.db2.gz ILMCAJQSIAYTPF-INIZCTEOSA-N 1 1 368.319 2.367 20 10 FECDMO COC(=O)C[N@H+](Cc1ccc(Br)cc1O)C1CCOCC1 ZINC000824894165 675627301 /nfs/dbraw/zinc/62/73/01/675627301.db2.gz BGMAARFUZDLDDV-UHFFFAOYSA-N 1 1 358.232 2.309 20 10 FECDMO COC(=O)C[N@@H+](Cc1ccc(Br)cc1O)C1CCOCC1 ZINC000824894165 675627303 /nfs/dbraw/zinc/62/73/03/675627303.db2.gz BGMAARFUZDLDDV-UHFFFAOYSA-N 1 1 358.232 2.309 20 10 FECDMO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825336424 675647459 /nfs/dbraw/zinc/64/74/59/675647459.db2.gz AASIQKLKWIBLKA-UHFFFAOYSA-N 1 1 357.292 2.480 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1Cl ZINC000825732422 675666288 /nfs/dbraw/zinc/66/62/88/675666288.db2.gz STRZNKAVONVVPX-CQSZACIVSA-N 1 1 358.891 2.354 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1Cl ZINC000825732421 675666311 /nfs/dbraw/zinc/66/63/11/675666311.db2.gz STRZNKAVONVVPX-AWEZNQCLSA-N 1 1 358.891 2.354 20 10 FECDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828610671 675833385 /nfs/dbraw/zinc/83/33/85/675833385.db2.gz STSLBPGGSAUCOB-GOSISDBHSA-N 1 1 365.543 2.499 20 10 FECDMO C[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC[N@H+]1C ZINC000761283175 680717951 /nfs/dbraw/zinc/71/79/51/680717951.db2.gz RGJMDKZXCJUYNG-BXUZGUMPSA-N 1 1 351.834 2.293 20 10 FECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000840940862 680855341 /nfs/dbraw/zinc/85/53/41/680855341.db2.gz MUFUUIKMXXSLGR-SFHVURJKSA-N 1 1 351.516 2.061 20 10 FECDMO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Br)c(F)cc1O ZINC000756613041 680488637 /nfs/dbraw/zinc/48/86/37/680488637.db2.gz NHLXGUPMRLAWIJ-RTHLEPHNSA-N 1 1 358.211 2.412 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1 ZINC000768342085 680944469 /nfs/dbraw/zinc/94/44/69/680944469.db2.gz NVGKRPFZUJDYLG-GOSISDBHSA-N 1 1 353.532 2.437 20 10 FECDMO CCOc1ccc(C[N@H+]2C[C@H](C(=O)NCCOC)CC[C@H]2C)c(O)c1 ZINC000769003814 680967646 /nfs/dbraw/zinc/96/76/46/680967646.db2.gz GKPBBTGNFFREQN-GDBMZVCRSA-N 1 1 350.459 2.154 20 10 FECDMO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843434053 681003882 /nfs/dbraw/zinc/00/38/82/681003882.db2.gz QLHBLQVNOBFMMP-JSGCOSHPSA-N 1 1 360.376 2.127 20 10 FECDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843434053 681003883 /nfs/dbraw/zinc/00/38/83/681003883.db2.gz QLHBLQVNOBFMMP-JSGCOSHPSA-N 1 1 360.376 2.127 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1F ZINC000772599752 681104296 /nfs/dbraw/zinc/10/42/96/681104296.db2.gz NXHZCNKAYKCDGT-MRXNPFEDSA-N 1 1 371.522 2.433 20 10 FECDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000777221085 681473698 /nfs/dbraw/zinc/47/36/98/681473698.db2.gz ZSNCLXQNMDUJEJ-AWEZNQCLSA-N 1 1 351.466 2.397 20 10 FECDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000777221085 681473699 /nfs/dbraw/zinc/47/36/99/681473699.db2.gz ZSNCLXQNMDUJEJ-AWEZNQCLSA-N 1 1 351.466 2.397 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000793222788 682873698 /nfs/dbraw/zinc/87/36/98/682873698.db2.gz DSTDKWFMCWDSNG-JTQLQIEISA-N 1 1 355.391 2.312 20 10 FECDMO COc1cc(Br)cc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1O ZINC000793590705 682897493 /nfs/dbraw/zinc/89/74/93/682897493.db2.gz ODFSARBCVRTRMR-VXGBXAGGSA-N 1 1 373.291 2.050 20 10 FECDMO CC[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1ccc(F)cc1O ZINC000796764819 683193588 /nfs/dbraw/zinc/19/35/88/683193588.db2.gz VIQPBVNPPVMMGH-MRXNPFEDSA-N 1 1 358.479 2.081 20 10 FECDMO Cc1ccnn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000860243119 683222339 /nfs/dbraw/zinc/22/23/39/683222339.db2.gz XZFMVGGFVYIWKJ-INIZCTEOSA-N 1 1 362.861 2.331 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1O ZINC000798958479 683408297 /nfs/dbraw/zinc/40/82/97/683408297.db2.gz AZTGVDPLOMAIPZ-PWSUYJOCSA-N 1 1 371.231 2.094 20 10 FECDMO CN(Cc1cccs1)c1ccc(C[N@@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000862535691 683598054 /nfs/dbraw/zinc/59/80/54/683598054.db2.gz WJQRZIIUSCZGKG-QGZVFWFLSA-N 1 1 359.495 2.461 20 10 FECDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCO[C@H](CC(N)=O)C2)cc1 ZINC000862535691 683598059 /nfs/dbraw/zinc/59/80/59/683598059.db2.gz WJQRZIIUSCZGKG-QGZVFWFLSA-N 1 1 359.495 2.461 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1O ZINC000932024183 684393168 /nfs/dbraw/zinc/39/31/68/684393168.db2.gz GIUBAKFZCDFPAH-FZKQIMNGSA-N 1 1 350.390 2.444 20 10 FECDMO C[NH+](C)CCn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000868358877 684485964 /nfs/dbraw/zinc/48/59/64/684485964.db2.gz TUOICUGPSSGLLA-UHFFFAOYSA-N 1 1 357.241 2.387 20 10 FECDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CCC3(OC)OC)cc2F)CC1 ZINC000924995896 684514087 /nfs/dbraw/zinc/51/40/87/684514087.db2.gz KAKBUTMDXQBYFQ-GOSISDBHSA-N 1 1 351.466 2.209 20 10 FECDMO C[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000925788569 684585847 /nfs/dbraw/zinc/58/58/47/684585847.db2.gz KEOKEZPQPHTBBD-UWVGGRQHSA-N 1 1 367.298 2.126 20 10 FECDMO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)[S@@]1=O ZINC000877517812 686398589 /nfs/dbraw/zinc/39/85/89/686398589.db2.gz QMGAFSASIZAJCJ-BQMFCVJUSA-N 1 1 350.528 2.379 20 10 FECDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)[S@@]1=O ZINC000877517812 686398598 /nfs/dbraw/zinc/39/85/98/686398598.db2.gz QMGAFSASIZAJCJ-BQMFCVJUSA-N 1 1 350.528 2.379 20 10 FECDMO C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Br)cc(F)c1[O-] ZINC000883185165 687583319 /nfs/dbraw/zinc/58/33/19/687583319.db2.gz PRNKPWQNAPTVPA-UHFFFAOYSA-N 1 1 374.298 2.363 20 10 FECDMO COc1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(O)c1OC ZINC000892232731 689167852 /nfs/dbraw/zinc/16/78/52/689167852.db2.gz BNBWBCFXNGYLHP-YQQAZPJKSA-N 1 1 350.459 2.093 20 10 FECDMO COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(F)cc(F)c2O)cc1O ZINC000894777050 689594026 /nfs/dbraw/zinc/59/40/26/689594026.db2.gz KQUGDBIWBHWJML-LBPRGKRZSA-N 1 1 353.365 2.325 20 10 FECDMO COC(=O)c1c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c2cc(F)ccc2n1C ZINC000894888962 689614501 /nfs/dbraw/zinc/61/45/01/689614501.db2.gz LQWIOTUYHJOBFN-KRWDZBQOSA-N 1 1 356.344 2.306 20 10 FECDMO COC(=O)c1c(C[N@H+]2CC[C@@](O)(C(F)F)C2)c2cc(F)ccc2n1C ZINC000894888962 689614505 /nfs/dbraw/zinc/61/45/05/689614505.db2.gz LQWIOTUYHJOBFN-KRWDZBQOSA-N 1 1 356.344 2.306 20 10 FECDMO C[N@H+]1CCN(CCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1(C)C ZINC000897662650 690059602 /nfs/dbraw/zinc/05/96/02/690059602.db2.gz BWQSYROHFAPUQC-UHFFFAOYSA-N 1 1 363.483 2.068 20 10 FECDMO CCN(CC)c1ccc(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc1F ZINC000900636629 690541560 /nfs/dbraw/zinc/54/15/60/690541560.db2.gz KZFMURXTTDTRQV-IBGZPJMESA-N 1 1 351.466 2.135 20 10 FECDMO [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC000904392565 691024442 /nfs/dbraw/zinc/02/44/42/691024442.db2.gz SYCJZVQGGOFYIP-AWEZNQCLSA-N 1 1 355.276 2.485 20 10 FECDMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3ccccc3O)c2C1 ZINC000067563047 541480621 /nfs/dbraw/zinc/48/06/21/541480621.db2.gz MWCAWQSHVMYKLJ-UHFFFAOYSA-N 1 1 353.422 2.373 20 10 FECDMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCc3ccccc3O)c2C1 ZINC000067563047 541480622 /nfs/dbraw/zinc/48/06/22/541480622.db2.gz MWCAWQSHVMYKLJ-UHFFFAOYSA-N 1 1 353.422 2.373 20 10 FECDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075611471 542192398 /nfs/dbraw/zinc/19/23/98/542192398.db2.gz IVKOMOBBIUSJRD-IBGZPJMESA-N 1 1 373.457 2.275 20 10 FECDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093134095 542911184 /nfs/dbraw/zinc/91/11/84/542911184.db2.gz UMXLBTXESUBOKG-SFHVURJKSA-N 1 1 367.497 2.441 20 10 FECDMO COc1cccc(CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1O ZINC000105649336 543178735 /nfs/dbraw/zinc/17/87/35/543178735.db2.gz DHAKRRIISNCMNT-CPUCHLNUSA-N 1 1 350.459 2.151 20 10 FECDMO COc1ccc(N2CCC[N@H+](CCCS(=O)(=O)C(C)C)CC2)cc1 ZINC000160951890 546087646 /nfs/dbraw/zinc/08/76/46/546087646.db2.gz DRLDEGMMIBXNBT-UHFFFAOYSA-N 1 1 354.516 2.421 20 10 FECDMO COc1ccc(N2CCC[N@@H+](CCCS(=O)(=O)C(C)C)CC2)cc1 ZINC000160951890 546087648 /nfs/dbraw/zinc/08/76/48/546087648.db2.gz DRLDEGMMIBXNBT-UHFFFAOYSA-N 1 1 354.516 2.421 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[N@H+](C2CC2)CC1 ZINC000171711354 546220712 /nfs/dbraw/zinc/22/07/12/546220712.db2.gz SPOYBGWIUIOXKK-RUDMXATFSA-N 1 1 355.482 2.233 20 10 FECDMO CC[N@@H+](CC(=O)NCCCOC)Cc1cc(Br)ccc1O ZINC000174425350 546296088 /nfs/dbraw/zinc/29/60/88/546296088.db2.gz FSILASJOFLCHSN-UHFFFAOYSA-N 1 1 359.264 2.129 20 10 FECDMO COc1cccc(C(=O)N2CC[NH+](Cc3cc(OC)ccc3O)CC2)c1 ZINC000179718602 547003824 /nfs/dbraw/zinc/00/38/24/547003824.db2.gz YOPQGLWNUJCYGO-UHFFFAOYSA-N 1 1 356.422 2.367 20 10 FECDMO Cc1ccc(C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(O)c1O ZINC000188147186 548272626 /nfs/dbraw/zinc/27/26/26/548272626.db2.gz HNYMIZHWVMADRV-OAQYLSRUSA-N 1 1 370.449 2.115 20 10 FECDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000188891682 548289749 /nfs/dbraw/zinc/28/97/49/548289749.db2.gz WDMGEYJBUHZHJM-KRWDZBQOSA-N 1 1 372.513 2.049 20 10 FECDMO Cn1ccc(N2CCC[C@H]([NH2+]Cc3c(O)ccc(Cl)c3F)C2=O)n1 ZINC000191218624 548341500 /nfs/dbraw/zinc/34/15/00/548341500.db2.gz NSSGWAACMDGVTJ-LBPRGKRZSA-N 1 1 352.797 2.203 20 10 FECDMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3ccc(N)cc3)C2)cc(OC)c1 ZINC000237304486 548816266 /nfs/dbraw/zinc/81/62/66/548816266.db2.gz OSYAMVDMPIXMHB-GOSISDBHSA-N 1 1 369.465 2.219 20 10 FECDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cc3ccc(N)cc3)cc2)C1 ZINC000262630448 549833495 /nfs/dbraw/zinc/83/34/95/549833495.db2.gz DSLRKZWDLHGKSJ-KRWDZBQOSA-N 1 1 366.465 2.147 20 10 FECDMO Cc1[nH+]ccn1CCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264611048 549999031 /nfs/dbraw/zinc/99/90/31/549999031.db2.gz GKOYCGGIPJGWMZ-VMPITWQZSA-N 1 1 354.454 2.248 20 10 FECDMO CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000269285306 550176201 /nfs/dbraw/zinc/17/62/01/550176201.db2.gz HWNQTYIWYBHUTO-IAGOWNOFSA-N 1 1 362.493 2.101 20 10 FECDMO Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c(O)c1O ZINC000271320349 550364624 /nfs/dbraw/zinc/36/46/24/550364624.db2.gz XBAZNTLLGWVIGM-MRXNPFEDSA-N 1 1 369.421 2.108 20 10 FECDMO Cc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c(O)c1O ZINC000271320349 550364626 /nfs/dbraw/zinc/36/46/26/550364626.db2.gz XBAZNTLLGWVIGM-MRXNPFEDSA-N 1 1 369.421 2.108 20 10 FECDMO CCC[C@](C)([NH3+])C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000272476008 550451573 /nfs/dbraw/zinc/45/15/73/550451573.db2.gz QXYIAILZJPUYDG-IBGZPJMESA-N 1 1 350.482 2.101 20 10 FECDMO Cc1ccc(C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c(O)c1O ZINC000272988676 550479677 /nfs/dbraw/zinc/47/96/77/550479677.db2.gz MQQMHFBGUTZZFO-UHFFFAOYSA-N 1 1 361.486 2.037 20 10 FECDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278291903 550769547 /nfs/dbraw/zinc/76/95/47/550769547.db2.gz UYUFJOMUNMFORJ-CQSZACIVSA-N 1 1 365.430 2.437 20 10 FECDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278291903 550769548 /nfs/dbraw/zinc/76/95/48/550769548.db2.gz UYUFJOMUNMFORJ-CQSZACIVSA-N 1 1 365.430 2.437 20 10 FECDMO CCNC(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278837953 550827237 /nfs/dbraw/zinc/82/72/37/550827237.db2.gz JLRRFSOBOIKKCT-UHFFFAOYSA-N 1 1 359.382 2.349 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000280147964 550965183 /nfs/dbraw/zinc/96/51/83/550965183.db2.gz XABBKNOXVHKECX-NSHDSACASA-N 1 1 362.289 2.411 20 10 FECDMO CN(C)c1ccc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)c(C(F)(F)F)c1 ZINC000280242010 550973925 /nfs/dbraw/zinc/97/39/25/550973925.db2.gz LFWGCBZZZQRFQH-UHFFFAOYSA-N 1 1 366.387 2.423 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)c(C(F)(F)F)c1 ZINC000280242010 550973926 /nfs/dbraw/zinc/97/39/26/550973926.db2.gz LFWGCBZZZQRFQH-UHFFFAOYSA-N 1 1 366.387 2.423 20 10 FECDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000286569081 551901055 /nfs/dbraw/zinc/90/10/55/551901055.db2.gz PNWSAZCRQZQITH-WUKSYQMZSA-N 1 1 357.498 2.066 20 10 FECDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)Cc1ccc(N3CCOCC3)cc1)C2 ZINC000289486422 552329014 /nfs/dbraw/zinc/32/90/14/552329014.db2.gz IXLXWKSHZODEPH-SFHVURJKSA-N 1 1 368.481 2.249 20 10 FECDMO CCOc1ccc(O)c(C[NH+]2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 ZINC000289668723 552359088 /nfs/dbraw/zinc/35/90/88/552359088.db2.gz DIVCRYBNIWQJRO-HXUWFJFHSA-N 1 1 369.465 2.135 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000291698232 552652490 /nfs/dbraw/zinc/65/24/90/552652490.db2.gz HWHAOJJCIBLXJO-QFIPXVFZSA-N 1 1 367.493 2.005 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000291698232 552652491 /nfs/dbraw/zinc/65/24/91/552652491.db2.gz HWHAOJJCIBLXJO-QFIPXVFZSA-N 1 1 367.493 2.005 20 10 FECDMO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000293584911 552837868 /nfs/dbraw/zinc/83/78/68/552837868.db2.gz KAHFGLMVYNDHRJ-NHYWBVRUSA-N 1 1 363.838 2.011 20 10 FECDMO Cc1cc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)ccc1N(C)C ZINC000293896306 552865915 /nfs/dbraw/zinc/86/59/15/552865915.db2.gz VNRJOXXHBDGXAD-QZTJIDSGSA-N 1 1 366.527 2.229 20 10 FECDMO Cc1cc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)ccc1N(C)C ZINC000293896306 552865917 /nfs/dbraw/zinc/86/59/17/552865917.db2.gz VNRJOXXHBDGXAD-QZTJIDSGSA-N 1 1 366.527 2.229 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+](C)[C@H]3CCN4CCO[C@H]3C4)cc2)CC1 ZINC000295330091 552988674 /nfs/dbraw/zinc/98/86/74/552988674.db2.gz HHGDJXRISMPNAB-SFTDATJTSA-N 1 1 359.514 2.207 20 10 FECDMO COc1ccc([C@H](CO)[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000299286409 553542729 /nfs/dbraw/zinc/54/27/29/553542729.db2.gz NMWVSRYLSUULHB-FQEVSTJZSA-N 1 1 371.481 2.043 20 10 FECDMO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000299286409 553542731 /nfs/dbraw/zinc/54/27/31/553542731.db2.gz NMWVSRYLSUULHB-FQEVSTJZSA-N 1 1 371.481 2.043 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)cc1C ZINC000363484870 555117653 /nfs/dbraw/zinc/11/76/53/555117653.db2.gz GFVQRIFZEQFLDI-UHFFFAOYSA-N 1 1 354.454 2.215 20 10 FECDMO O=C(C[N@H+]1CC[C@@H](C2CC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000363488877 555118720 /nfs/dbraw/zinc/11/87/20/555118720.db2.gz JLAQQUCLWSLRIW-QGZVFWFLSA-N 1 1 361.461 2.010 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2Cn2nc(C)nc2C)ccc1[N+](=O)[O-] ZINC000365807892 555672037 /nfs/dbraw/zinc/67/20/37/555672037.db2.gz XOIAZFZBECDZGL-CQSZACIVSA-N 1 1 361.402 2.182 20 10 FECDMO Cc1nccc(CN2CCC[C@@H]([NH2+][C@@H](C)c3ccc(F)cc3O)C2=O)n1 ZINC000366683206 555907989 /nfs/dbraw/zinc/90/79/89/555907989.db2.gz KECZLZVLRXMDNL-YVEFUNNKSA-N 1 1 358.417 2.472 20 10 FECDMO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2nnc3n2CCOC3)c1O ZINC000368992239 556469715 /nfs/dbraw/zinc/46/97/15/556469715.db2.gz XKKTXJLWOKPLQD-JTQLQIEISA-N 1 1 367.247 2.436 20 10 FECDMO CC(C)N1CCN([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000371335586 557150893 /nfs/dbraw/zinc/15/08/93/557150893.db2.gz KWUHOICOUKARSO-JOCHJYFZSA-N 1 1 372.557 2.124 20 10 FECDMO CC(C)N1CCN([C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000371335586 557150896 /nfs/dbraw/zinc/15/08/96/557150896.db2.gz KWUHOICOUKARSO-JOCHJYFZSA-N 1 1 372.557 2.124 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c1 ZINC000372039829 557364496 /nfs/dbraw/zinc/36/44/96/557364496.db2.gz VZQABUKCWNBGGP-AWEZNQCLSA-N 1 1 360.414 2.006 20 10 FECDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000372404352 557462109 /nfs/dbraw/zinc/46/21/09/557462109.db2.gz LHNFPYWZTRCPSW-SFHVURJKSA-N 1 1 351.516 2.191 20 10 FECDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000373587388 557724279 /nfs/dbraw/zinc/72/42/79/557724279.db2.gz WUECLYWNKRUJDK-OALUTQOASA-N 1 1 362.470 2.066 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC3(CCOCC3)[C@H]1C)cc2=O ZINC000375235415 557996520 /nfs/dbraw/zinc/99/65/20/557996520.db2.gz BAAVEWWNNCSDRS-CYBMUJFWSA-N 1 1 374.441 2.003 20 10 FECDMO COc1ccc(N2CCC[N@@H+](C[C@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000375326664 558009760 /nfs/dbraw/zinc/00/97/60/558009760.db2.gz LLBZPJMDQDBWET-MRXNPFEDSA-N 1 1 352.500 2.032 20 10 FECDMO COc1ccc(N2CCC([N@@H+](C)C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000375363237 558015669 /nfs/dbraw/zinc/01/56/69/558015669.db2.gz RWVUNBREEMCTLD-INIZCTEOSA-N 1 1 366.527 2.421 20 10 FECDMO CCCOc1ccc(C[N@H+]2CC[C@@H](N(C)Cc3nccc(N)n3)C2)c(O)c1 ZINC000375978396 558108742 /nfs/dbraw/zinc/10/87/42/558108742.db2.gz YUUPEIKGOCPHMR-MRXNPFEDSA-N 1 1 371.485 2.260 20 10 FECDMO O=C1CO[C@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C[C@H]2N1 ZINC000377228054 558293862 /nfs/dbraw/zinc/29/38/62/558293862.db2.gz YYVGLCLXIFGVLP-QUCCMNQESA-N 1 1 368.433 2.061 20 10 FECDMO COc1cc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(O)cc1C ZINC000808227136 674447763 /nfs/dbraw/zinc/44/77/63/674447763.db2.gz UHOVGUKBOACHJJ-AWEZNQCLSA-N 1 1 368.499 2.003 20 10 FECDMO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1)C1CC1 ZINC000808227171 674448001 /nfs/dbraw/zinc/44/80/01/674448001.db2.gz UZNGEETZUXBLNE-AWEZNQCLSA-N 1 1 364.511 2.175 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000826181120 608076474 /nfs/dbraw/zinc/07/64/74/608076474.db2.gz LPUDGLNPPQMDPT-UHFFFAOYSA-N 1 1 355.398 2.222 20 10 FECDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000815102191 674918600 /nfs/dbraw/zinc/91/86/00/674918600.db2.gz HAIFYOIXYNQOGC-SFHVURJKSA-N 1 1 351.516 2.143 20 10 FECDMO Cn1ncc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1Cl ZINC000815117799 674920834 /nfs/dbraw/zinc/92/08/34/674920834.db2.gz VJLFYUBCQCEFIS-AWEZNQCLSA-N 1 1 361.877 2.065 20 10 FECDMO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000815558353 674959521 /nfs/dbraw/zinc/95/95/21/674959521.db2.gz AKEWWVXAAPDGSE-SNVBAGLBSA-N 1 1 354.394 2.343 20 10 FECDMO COc1ccc2ccc(O)c(C[N@H+]3CCCN(S(C)(=O)=O)CC3)c2c1 ZINC000027087583 670076751 /nfs/dbraw/zinc/07/67/51/670076751.db2.gz XNBQRUINXSZSTL-UHFFFAOYSA-N 1 1 364.467 2.021 20 10 FECDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000092303775 670737354 /nfs/dbraw/zinc/73/73/54/670737354.db2.gz KJZOPEKGKRORHS-OAHLLOKOSA-N 1 1 364.467 2.068 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646784 670754025 /nfs/dbraw/zinc/75/40/25/670754025.db2.gz ZOWGFLZOVOBMSE-MOPGFXCFSA-N 1 1 366.527 2.311 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3CSC)CC2)cc1 ZINC000135425498 672133364 /nfs/dbraw/zinc/13/33/64/672133364.db2.gz LVCRIHXPTKVTPM-QGZVFWFLSA-N 1 1 363.527 2.171 20 10 FECDMO Cc1cc(C[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000182961257 672457177 /nfs/dbraw/zinc/45/71/77/672457177.db2.gz QZJXGVFDEXYRLO-AWEZNQCLSA-N 1 1 354.516 2.464 20 10 FECDMO Cc1cc(C[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000182961257 672457181 /nfs/dbraw/zinc/45/71/81/672457181.db2.gz QZJXGVFDEXYRLO-AWEZNQCLSA-N 1 1 354.516 2.464 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+]CCCCS(C)(=O)=O)c1 ZINC000818226514 675205610 /nfs/dbraw/zinc/20/56/10/675205610.db2.gz SKWZOHQNSPRVEK-UHFFFAOYSA-N 1 1 350.278 2.378 20 10 FECDMO CN1CC[NH+](CCCC[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825108747 675637043 /nfs/dbraw/zinc/63/70/43/675637043.db2.gz ZMFSLAYENFOBOB-UHFFFAOYSA-N 1 1 356.308 2.272 20 10 FECDMO C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1[O-] ZINC000825916009 675674030 /nfs/dbraw/zinc/67/40/30/675674030.db2.gz GZHXPIFMSOYCPE-UHFFFAOYSA-N 1 1 356.308 2.224 20 10 FECDMO C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1[O-] ZINC000825916009 675674031 /nfs/dbraw/zinc/67/40/31/675674031.db2.gz GZHXPIFMSOYCPE-UHFFFAOYSA-N 1 1 356.308 2.224 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)c(Cl)c1 ZINC000840909917 680852305 /nfs/dbraw/zinc/85/23/05/680852305.db2.gz IJLHICMUNYFLFK-UHFFFAOYSA-N 1 1 365.905 2.484 20 10 FECDMO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841044542 680860905 /nfs/dbraw/zinc/86/09/05/680860905.db2.gz CPDXXMQALLZFBC-HNAYVOBHSA-N 1 1 361.511 2.204 20 10 FECDMO C[C@@H](c1nccs1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000767483140 680913560 /nfs/dbraw/zinc/91/35/60/680913560.db2.gz PDMFUEFUBMZANS-LRDDRELGSA-N 1 1 361.467 2.153 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+](CCO)CCNC(=O)OC(C)(C)C)c1O ZINC000768533283 680949395 /nfs/dbraw/zinc/94/93/95/680949395.db2.gz QTTHLQLXAUVWCV-UHFFFAOYSA-N 1 1 374.865 2.373 20 10 FECDMO CC(C)NS(=O)(=O)NCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774383400 681182466 /nfs/dbraw/zinc/18/24/66/681182466.db2.gz YJUYGUXGZOGSAO-VIFPVBQESA-N 1 1 370.302 2.182 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934337450 681554644 /nfs/dbraw/zinc/55/46/44/681554644.db2.gz XBNUSZOJVRIDFW-INIZCTEOSA-N 1 1 358.511 2.390 20 10 FECDMO O=S1(=O)CCN(c2ccc(CNc3cc[nH+]cc3Cl)cc2)CC1 ZINC000853790404 682469986 /nfs/dbraw/zinc/46/99/86/682469986.db2.gz GSIXMIWAJBTZBT-UHFFFAOYSA-N 1 1 351.859 2.004 20 10 FECDMO Cc1cc(Br)cc([C@@H](C)NCc2nc(C[NH3+])cc(=O)[nH]2)c1O ZINC000854231219 682526835 /nfs/dbraw/zinc/52/68/35/682526835.db2.gz CPMBRFZPZXQVNY-SECBINFHSA-N 1 1 367.247 2.268 20 10 FECDMO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000788389973 682527509 /nfs/dbraw/zinc/52/75/09/682527509.db2.gz XYLRIHDPQABUJY-SFHVURJKSA-N 1 1 364.511 2.271 20 10 FECDMO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000793360855 682884804 /nfs/dbraw/zinc/88/48/04/682884804.db2.gz AVSUGFYDRIIYRD-HNAYVOBHSA-N 1 1 350.434 2.042 20 10 FECDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@]2(CCOC2)O1 ZINC000793360855 682884808 /nfs/dbraw/zinc/88/48/08/682884808.db2.gz AVSUGFYDRIIYRD-HNAYVOBHSA-N 1 1 350.434 2.042 20 10 FECDMO Cc1cc(Br)c(O)c(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000793586129 682897222 /nfs/dbraw/zinc/89/72/22/682897222.db2.gz GCJFXPWLOMTDNB-OLZOCXBDSA-N 1 1 357.292 2.350 20 10 FECDMO COc1cc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793589325 682897510 /nfs/dbraw/zinc/89/75/10/682897510.db2.gz NUDHVEGDPRUMTB-CQSZACIVSA-N 1 1 370.515 2.164 20 10 FECDMO CC[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1ccc(F)cc1O ZINC000858466424 682971164 /nfs/dbraw/zinc/97/11/64/682971164.db2.gz BCCYOMJVUBFKGR-QFBILLFUSA-N 1 1 352.450 2.188 20 10 FECDMO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000796481343 683164556 /nfs/dbraw/zinc/16/45/56/683164556.db2.gz FBDXPSPCOOMQJL-MFKMUULPSA-N 1 1 364.870 2.382 20 10 FECDMO C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Br)c(F)cc1O ZINC000927137966 683211884 /nfs/dbraw/zinc/21/18/84/683211884.db2.gz YQIJMAIBBNTRIM-CLAHSXSESA-N 1 1 358.211 2.412 20 10 FECDMO Cn1c(Cl)cnc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000799335230 683446318 /nfs/dbraw/zinc/44/63/18/683446318.db2.gz UEBQFSLRINKDMS-CQSZACIVSA-N 1 1 361.877 2.065 20 10 FECDMO COc1cccc(O)c1C[NH2+]Cc1c(I)cnn1C ZINC000865868749 684039198 /nfs/dbraw/zinc/03/91/98/684039198.db2.gz WZNFNCAEZIRQQC-UHFFFAOYSA-N 1 1 373.194 2.029 20 10 FECDMO COc1ccc(N2CC[NH+](CCNc3cc(Cl)n[nH]c3=O)CC2)cc1 ZINC000872429125 684946871 /nfs/dbraw/zinc/94/68/71/684946871.db2.gz ZPTHWNUXNDCBGR-UHFFFAOYSA-N 1 1 363.849 2.078 20 10 FECDMO C[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)CC1 ZINC000877747629 686448719 /nfs/dbraw/zinc/44/87/19/686448719.db2.gz VJJGFAIFURWTDO-UHFFFAOYSA-N 1 1 368.865 2.166 20 10 FECDMO CN1CCN(c2ccc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc2)CC1 ZINC000883366989 687615610 /nfs/dbraw/zinc/61/56/10/687615610.db2.gz FNFSZLIGVUXDTG-AWEZNQCLSA-N 1 1 367.362 2.087 20 10 FECDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000883372417 687617223 /nfs/dbraw/zinc/61/72/23/687617223.db2.gz ZREFHCRJQJXLCK-AWEZNQCLSA-N 1 1 371.884 2.071 20 10 FECDMO C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CCSCC4)cc3)[C@@H]2C1 ZINC000892030597 689142786 /nfs/dbraw/zinc/14/27/86/689142786.db2.gz BJSVTASTRZKEKY-SJLPKXTDSA-N 1 1 360.527 2.085 20 10 FECDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)COCCOC)cc2F)CC1 ZINC000892905972 689262608 /nfs/dbraw/zinc/26/26/08/689262608.db2.gz QISSNUXSNIWODT-MRXNPFEDSA-N 1 1 353.482 2.109 20 10 FECDMO COC(=O)[C@@H]1[C@@H](C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1(F)F ZINC000893879794 689422341 /nfs/dbraw/zinc/42/23/41/689422341.db2.gz JKGFMNOHPDZXPP-FMKPAKJESA-N 1 1 355.381 2.428 20 10 FECDMO COc1ccc(C[N@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c(O)c1OC ZINC000896398804 689868874 /nfs/dbraw/zinc/86/88/74/689868874.db2.gz WIPQFIXRKFGMJC-UGSOOPFHSA-N 1 1 350.415 2.120 20 10 FECDMO O=C(NCc1cccc(Cl)c1O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896748708 689925203 /nfs/dbraw/zinc/92/52/03/689925203.db2.gz LOMZAPFGBHLMLE-CQSZACIVSA-N 1 1 353.850 2.098 20 10 FECDMO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[NH+](C2CCOCC2)CC1 ZINC000896826967 689935830 /nfs/dbraw/zinc/93/58/30/689935830.db2.gz HENYWHLKDKAWSX-UHFFFAOYSA-N 1 1 362.451 2.249 20 10 FECDMO COc1ccc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c(O)c1OC ZINC000897178607 689984901 /nfs/dbraw/zinc/98/49/01/689984901.db2.gz BWNAHRFGVNBELG-OAHLLOKOSA-N 1 1 351.443 2.163 20 10 FECDMO C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[N@@H+]1CC(C)(C)O ZINC000897499473 690031291 /nfs/dbraw/zinc/03/12/91/690031291.db2.gz MNECKVITQXBABZ-NSHDSACASA-N 1 1 364.467 2.230 20 10 FECDMO C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[N@H+]1CC(C)(C)O ZINC000897499473 690031292 /nfs/dbraw/zinc/03/12/92/690031292.db2.gz MNECKVITQXBABZ-NSHDSACASA-N 1 1 364.467 2.230 20 10 FECDMO C[C@H]1CCC[N@@H+](CCNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000054787084 540610129 /nfs/dbraw/zinc/61/01/29/540610129.db2.gz XPJSGUCPSVFVLG-KRWDZBQOSA-N 1 1 360.502 2.054 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1O ZINC000079400564 542516909 /nfs/dbraw/zinc/51/69/09/542516909.db2.gz DNMVJCVJGSSLNZ-HNNXBMFYSA-N 1 1 372.462 2.028 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1O ZINC000079400564 542516913 /nfs/dbraw/zinc/51/69/13/542516913.db2.gz DNMVJCVJGSSLNZ-HNNXBMFYSA-N 1 1 372.462 2.028 20 10 FECDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000093663790 542937475 /nfs/dbraw/zinc/93/74/75/542937475.db2.gz QKDXXKVRVJDFFW-CYBMUJFWSA-N 1 1 355.276 2.309 20 10 FECDMO CCN(CC)c1ccc(CNC(=O)CC[NH+]2CCN(CC)CC2)cc1F ZINC000109022421 543311042 /nfs/dbraw/zinc/31/10/42/543311042.db2.gz RJZWRRSYNMDELC-UHFFFAOYSA-N 1 1 364.509 2.316 20 10 FECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCN1c1cccnn1 ZINC000120376730 543679283 /nfs/dbraw/zinc/67/92/83/543679283.db2.gz MNZDZEQXMGJIAC-FQEVSTJZSA-N 1 1 367.497 2.414 20 10 FECDMO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cnn1C ZINC000134264315 544300852 /nfs/dbraw/zinc/30/08/52/544300852.db2.gz IKEABNDOEKTZSZ-OAHLLOKOSA-N 1 1 362.861 2.482 20 10 FECDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000177013590 546524153 /nfs/dbraw/zinc/52/41/53/546524153.db2.gz YENAVZUGRYUNME-OJLWIZQOSA-N 1 1 357.498 2.479 20 10 FECDMO COCCC[N@H+](Cc1cc(Cl)cc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179605990 546985833 /nfs/dbraw/zinc/98/58/33/546985833.db2.gz JKMFFGPCLXEFDD-OAHLLOKOSA-N 1 1 361.891 2.380 20 10 FECDMO COCCC[N@@H+](Cc1cc(Cl)cc(C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179605990 546985835 /nfs/dbraw/zinc/98/58/35/546985835.db2.gz JKMFFGPCLXEFDD-OAHLLOKOSA-N 1 1 361.891 2.380 20 10 FECDMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(O)c1O ZINC000182459509 547496526 /nfs/dbraw/zinc/49/65/26/547496526.db2.gz MEWCJXNUXLFJOP-WMLDXEAASA-N 1 1 355.438 2.442 20 10 FECDMO CC(C)[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000183434144 547657644 /nfs/dbraw/zinc/65/76/44/547657644.db2.gz WDQQQQYSECEIES-HRLGVUPISA-N 1 1 364.486 2.279 20 10 FECDMO CC(C)[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000183434106 547657863 /nfs/dbraw/zinc/65/78/63/547657863.db2.gz WDQQQQYSECEIES-ZTENYAIWSA-N 1 1 364.486 2.279 20 10 FECDMO CC(C)[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000183434106 547657868 /nfs/dbraw/zinc/65/78/68/547657868.db2.gz WDQQQQYSECEIES-ZTENYAIWSA-N 1 1 364.486 2.279 20 10 FECDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(C)n1-c1ccccc1C ZINC000264691771 549999716 /nfs/dbraw/zinc/99/97/16/549999716.db2.gz MKPHGGBMYHHFFU-GOSISDBHSA-N 1 1 354.498 2.378 20 10 FECDMO Nc1ccc(CC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000269242674 550171807 /nfs/dbraw/zinc/17/18/07/550171807.db2.gz BYLDHSHPWUNKCT-UHFFFAOYSA-N 1 1 366.509 2.135 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](CCOC)c1ccco1)cc2=O ZINC000273281415 550492909 /nfs/dbraw/zinc/49/29/09/550492909.db2.gz OAJCHVRYODGXIU-CQSZACIVSA-N 1 1 374.397 2.072 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)c1 ZINC000273499777 550500682 /nfs/dbraw/zinc/50/06/82/550500682.db2.gz PYMYJFRXECVENS-GWCFXTLKSA-N 1 1 374.359 2.383 20 10 FECDMO COc1cc(N2CC[NH+](Cc3ccc(CO)o3)CC2)cc(OC)c1OC ZINC000273692989 550508199 /nfs/dbraw/zinc/50/81/99/550508199.db2.gz BPQNFABRCHYJQQ-UHFFFAOYSA-N 1 1 362.426 2.120 20 10 FECDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000278272243 550767418 /nfs/dbraw/zinc/76/74/18/550767418.db2.gz RUHSQYVFPPWIOA-LSDHHAIUSA-N 1 1 366.414 2.061 20 10 FECDMO COc1c(O)c(C[NH2+]CCC(=O)N2CCCCCC2)ccc1[N+](=O)[O-] ZINC000278472528 550790001 /nfs/dbraw/zinc/79/00/01/550790001.db2.gz HPUHQERPUNUWBO-UHFFFAOYSA-N 1 1 351.403 2.191 20 10 FECDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000278766293 550819831 /nfs/dbraw/zinc/81/98/31/550819831.db2.gz UFSQSWCRMVYCLC-IUODEOHRSA-N 1 1 374.275 2.001 20 10 FECDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000282326313 551212171 /nfs/dbraw/zinc/21/21/71/551212171.db2.gz ALFCGLQHSZKNLS-WBVHZDCISA-N 1 1 361.486 2.107 20 10 FECDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000282326302 551212250 /nfs/dbraw/zinc/21/22/50/551212250.db2.gz ALFCGLQHSZKNLS-NVXWUHKLSA-N 1 1 361.486 2.107 20 10 FECDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000282573350 551247867 /nfs/dbraw/zinc/24/78/67/551247867.db2.gz ZWBZMWUMOPERJZ-HNNXBMFYSA-N 1 1 361.486 2.120 20 10 FECDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)C(C)(C)n3cncn3)cc2F)CC1 ZINC000283856861 551439088 /nfs/dbraw/zinc/43/90/88/551439088.db2.gz BKLFDHIMTVFHAJ-MRXNPFEDSA-N 1 1 374.508 2.473 20 10 FECDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](N4CCCC4=O)C3)cc2)CC1 ZINC000296331708 553142627 /nfs/dbraw/zinc/14/26/27/553142627.db2.gz PITORTPBOLHVPI-LJQANCHMSA-N 1 1 357.498 2.499 20 10 FECDMO C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+](C2CC2)C1 ZINC000296706367 553200882 /nfs/dbraw/zinc/20/08/82/553200882.db2.gz LKXLLHIRJXQQPI-KRWDZBQOSA-N 1 1 358.530 2.127 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000298554458 553439630 /nfs/dbraw/zinc/43/96/30/553439630.db2.gz CRNKDNKPOQVVBZ-NRFANRHFSA-N 1 1 373.497 2.075 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)C2CCN(c3ncccn3)CC2)cc1OC ZINC000361047803 554901967 /nfs/dbraw/zinc/90/19/67/554901967.db2.gz FLPJXWPZQBGYJY-UHFFFAOYSA-N 1 1 358.442 2.300 20 10 FECDMO O=C(C[N@H+]1CCC[C@@H]1C1CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000363384124 555091044 /nfs/dbraw/zinc/09/10/44/555091044.db2.gz GIKRSVTVGRUTLV-GOSISDBHSA-N 1 1 361.461 2.153 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1 ZINC000367088571 556001283 /nfs/dbraw/zinc/00/12/83/556001283.db2.gz CBKPJVLOQUFEAE-OALUTQOASA-N 1 1 360.502 2.147 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc1 ZINC000367088571 556001285 /nfs/dbraw/zinc/00/12/85/556001285.db2.gz CBKPJVLOQUFEAE-OALUTQOASA-N 1 1 360.502 2.147 20 10 FECDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)c1 ZINC000368052290 556204556 /nfs/dbraw/zinc/20/45/56/556204556.db2.gz VCGVSSDOEYVKOF-RDTXWAMCSA-N 1 1 362.470 2.469 20 10 FECDMO COc1ccc(N2CCC[N@@H+]([C@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000369187387 556529415 /nfs/dbraw/zinc/52/94/15/556529415.db2.gz IYBHCSWHMIMCBO-INIZCTEOSA-N 1 1 371.403 2.371 20 10 FECDMO COc1ccc(N2CCC[N@H+]([C@H]3CCN(CC(F)(F)F)C3=O)CC2)cc1 ZINC000369187387 556529420 /nfs/dbraw/zinc/52/94/20/556529420.db2.gz IYBHCSWHMIMCBO-INIZCTEOSA-N 1 1 371.403 2.371 20 10 FECDMO COc1cc(O)c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000371362202 557160959 /nfs/dbraw/zinc/16/09/59/557160959.db2.gz YBGXVTLYARSPQR-ZMSDIMECSA-N 1 1 350.459 2.093 20 10 FECDMO C[N@H+]1CC[C@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C[C@@H]21 ZINC000371554478 557220634 /nfs/dbraw/zinc/22/06/34/557220634.db2.gz QFLVPZFAXZXFEI-NKVQNLSVSA-N 1 1 355.482 2.089 20 10 FECDMO CN(C)c1ccc(C2=CC[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)C2)cc1 ZINC000372807750 557566260 /nfs/dbraw/zinc/56/62/60/557566260.db2.gz ZMUHNHNEQFOHFM-UHFFFAOYSA-N 1 1 356.470 2.172 20 10 FECDMO COc1ccc(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(O)c1 ZINC000373665395 557734325 /nfs/dbraw/zinc/73/43/25/557734325.db2.gz HVFZNPGRGXITLB-LJQANCHMSA-N 1 1 370.449 2.308 20 10 FECDMO COc1ccc(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(O)c1 ZINC000373665395 557734327 /nfs/dbraw/zinc/73/43/27/557734327.db2.gz HVFZNPGRGXITLB-LJQANCHMSA-N 1 1 370.449 2.308 20 10 FECDMO O=C1[C@H]2C[N@H+](Cc3cccc(F)c3O)CCN2C(=O)N1c1ccccc1 ZINC000374698658 557918422 /nfs/dbraw/zinc/91/84/22/557918422.db2.gz REDSSKDHNLVIPM-MRXNPFEDSA-N 1 1 355.369 2.184 20 10 FECDMO O=C1[C@H]2C[N@@H+](Cc3cccc(F)c3O)CCN2C(=O)N1c1ccccc1 ZINC000374698658 557918424 /nfs/dbraw/zinc/91/84/24/557918424.db2.gz REDSSKDHNLVIPM-MRXNPFEDSA-N 1 1 355.369 2.184 20 10 FECDMO Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)n1-c1ccccn1 ZINC000377513580 558354883 /nfs/dbraw/zinc/35/48/83/558354883.db2.gz UQBNRBCXFPCXRV-SJORKVTESA-N 1 1 354.454 2.082 20 10 FECDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821109245 607454140 /nfs/dbraw/zinc/45/41/40/607454140.db2.gz DNDQOPXXBNGQLN-KRWDZBQOSA-N 1 1 366.425 2.011 20 10 FECDMO COc1ccc(O)c(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826210492 608590256 /nfs/dbraw/zinc/59/02/56/608590256.db2.gz UDRFARIROZEXKO-SFHVURJKSA-N 1 1 367.409 2.154 20 10 FECDMO C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1O ZINC000815557226 674959241 /nfs/dbraw/zinc/95/92/41/674959241.db2.gz OUDOOBAYVNLIJP-SNVBAGLBSA-N 1 1 366.405 2.486 20 10 FECDMO C[C@@H](C(=O)Nc1nccs1)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127216775 672033852 /nfs/dbraw/zinc/03/38/52/672033852.db2.gz VOGPAKUGAOLYNP-AWEZNQCLSA-N 1 1 360.483 2.439 20 10 FECDMO C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000127216775 672033854 /nfs/dbraw/zinc/03/38/54/672033854.db2.gz VOGPAKUGAOLYNP-AWEZNQCLSA-N 1 1 360.483 2.439 20 10 FECDMO C[N@@H+](CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000154126923 672211367 /nfs/dbraw/zinc/21/13/67/672211367.db2.gz QJOYPVRGSIROAS-IAGOWNOFSA-N 1 1 364.511 2.337 20 10 FECDMO O=S1(=O)CC[C@@H]([N@H+](Cc2cc(Br)ccc2O)C2CC2)C1 ZINC000156987545 672253129 /nfs/dbraw/zinc/25/31/29/672253129.db2.gz ONARMWKFNSMBMN-CYBMUJFWSA-N 1 1 360.273 2.306 20 10 FECDMO O=S1(=O)CC[C@@H]([N@@H+](Cc2cc(Br)ccc2O)C2CC2)C1 ZINC000156987545 672253131 /nfs/dbraw/zinc/25/31/31/672253131.db2.gz ONARMWKFNSMBMN-CYBMUJFWSA-N 1 1 360.273 2.306 20 10 FECDMO COc1cc(O)c(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1OC ZINC000160268699 672289812 /nfs/dbraw/zinc/28/98/12/672289812.db2.gz BKHWSEJNQXNMPW-UHFFFAOYSA-N 1 1 366.355 2.427 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245812102 672824992 /nfs/dbraw/zinc/82/49/92/672824992.db2.gz ZOWGFLZOVOBMSE-RTBURBONSA-N 1 1 366.527 2.311 20 10 FECDMO CSCC[C@@H](O)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827309494 675746929 /nfs/dbraw/zinc/74/69/29/675746929.db2.gz FOLIPQIFLFRUII-GDBMZVCRSA-N 1 1 372.918 2.240 20 10 FECDMO CSCC[C@H](O)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827309502 675747005 /nfs/dbraw/zinc/74/70/05/675747005.db2.gz FOLIPQIFLFRUII-ZBFHGGJFSA-N 1 1 372.918 2.240 20 10 FECDMO Cc1cc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)ccc1N1CCCCC1 ZINC000828619353 675834081 /nfs/dbraw/zinc/83/40/81/675834081.db2.gz GEEDWBCWWGHWHD-KRWDZBQOSA-N 1 1 351.516 2.238 20 10 FECDMO Cc1cc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000829993848 677020558 /nfs/dbraw/zinc/02/05/58/677020558.db2.gz NCSWCVNIAKVDGZ-GOSISDBHSA-N 1 1 365.543 2.451 20 10 FECDMO Cc1nc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C)c(C)[nH+]1 ZINC000761889840 680733730 /nfs/dbraw/zinc/73/37/30/680733730.db2.gz RMUYVPQBOLIMSW-UHFFFAOYSA-N 1 1 360.483 2.249 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(Cl)c1 ZINC000840941330 680855327 /nfs/dbraw/zinc/85/53/27/680855327.db2.gz XHTWDPNJEYDUIH-CYBMUJFWSA-N 1 1 358.891 2.354 20 10 FECDMO Cc1cc(C[N@@H+](C)CCN2CCCS2(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000751934479 680210553 /nfs/dbraw/zinc/21/05/53/680210553.db2.gz OPSCSXFOZDTKBX-UHFFFAOYSA-N 1 1 354.516 2.465 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000835026191 680286847 /nfs/dbraw/zinc/28/68/47/680286847.db2.gz RWXDMHSGCVEFPI-DKFQHHCZSA-N 1 1 351.516 2.170 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000835053689 680291537 /nfs/dbraw/zinc/29/15/37/680291537.db2.gz ZBHZQZFXCVBQKL-SUQGKYDKSA-N 1 1 351.516 2.122 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 ZINC000835053689 680291539 /nfs/dbraw/zinc/29/15/39/680291539.db2.gz ZBHZQZFXCVBQKL-SUQGKYDKSA-N 1 1 351.516 2.122 20 10 FECDMO CC[N@@H+](CCNC(=O)NCc1cccc(OC)c1O)CCC(F)(F)F ZINC000755849187 680439561 /nfs/dbraw/zinc/43/95/61/680439561.db2.gz HSIXUEMFNHIXOM-UHFFFAOYSA-N 1 1 363.380 2.474 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000756739572 680495555 /nfs/dbraw/zinc/49/55/55/680495555.db2.gz OSIMYYKOWIFDNW-YUTCNCBUSA-N 1 1 355.456 2.185 20 10 FECDMO C[C@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)S(C)(=O)=O ZINC000756769011 680497325 /nfs/dbraw/zinc/49/73/25/680497325.db2.gz HOFCHEDDXZAYOH-SFYZADRCSA-N 1 1 354.241 2.378 20 10 FECDMO C[C@H](c1nccs1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000767483147 680913579 /nfs/dbraw/zinc/91/35/79/680913579.db2.gz PDMFUEFUBMZANS-WBMJQRKESA-N 1 1 361.467 2.153 20 10 FECDMO CN(C)c1ccc(C[N@@H+](CCO)CCNC(=O)OC(C)(C)C)cc1F ZINC000768531543 680949378 /nfs/dbraw/zinc/94/93/78/680949378.db2.gz DVZMKXUQBGBTJG-UHFFFAOYSA-N 1 1 355.454 2.211 20 10 FECDMO Fc1cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)ccc1N1CCOCC1 ZINC000843417593 681002920 /nfs/dbraw/zinc/00/29/20/681002920.db2.gz JPLXAWVOGVKDQQ-SFHVURJKSA-N 1 1 352.475 2.370 20 10 FECDMO Fc1cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)ccc1N1CCOCC1 ZINC000843417593 681002922 /nfs/dbraw/zinc/00/29/22/681002922.db2.gz JPLXAWVOGVKDQQ-SFHVURJKSA-N 1 1 352.475 2.370 20 10 FECDMO COC(=O)C[C@]1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)CCCOC1 ZINC000770691308 681024060 /nfs/dbraw/zinc/02/40/60/681024060.db2.gz GNSAMZPVRDLPRG-QGZVFWFLSA-N 1 1 355.818 2.450 20 10 FECDMO COc1ccc(O)c(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000775644599 681320740 /nfs/dbraw/zinc/32/07/40/681320740.db2.gz QEODNFFDDVEYMW-GFCCVEGCSA-N 1 1 350.440 2.241 20 10 FECDMO CC1(C)CN(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591208 681400400 /nfs/dbraw/zinc/40/04/00/681400400.db2.gz RSRSLFFPHQDIFU-MRXNPFEDSA-N 1 1 365.905 2.468 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[NH2+][C@H](C)c3cncs3)CC2)cc1 ZINC000934200745 681525076 /nfs/dbraw/zinc/52/50/76/681525076.db2.gz HLKMHZMHSOXPIU-CQSZACIVSA-N 1 1 360.483 2.151 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)c1 ZINC000850485145 681906753 /nfs/dbraw/zinc/90/67/53/681906753.db2.gz BRXXJWORRDIVTQ-GFCCVEGCSA-N 1 1 355.456 2.044 20 10 FECDMO COc1cc(Br)cc(C[N@@H+](CCO)C2CCOCC2)c1O ZINC000783718948 682169473 /nfs/dbraw/zinc/16/94/73/682169473.db2.gz VOMSTESVHLFGQU-UHFFFAOYSA-N 1 1 360.248 2.137 20 10 FECDMO CCC[N@H+]1CC[C@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000852630769 682311232 /nfs/dbraw/zinc/31/12/32/682311232.db2.gz XSHXKIYSTMSUOG-ZDUSSCGKSA-N 1 1 356.264 2.438 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000786960036 682424665 /nfs/dbraw/zinc/42/46/65/682424665.db2.gz UXKFCQHYPBGMBC-JTQLQIEISA-N 1 1 369.464 2.495 20 10 FECDMO COc1cc(O)c(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1OC ZINC000857059007 682851129 /nfs/dbraw/zinc/85/11/29/682851129.db2.gz XVZVJVFBGINBAZ-OAHLLOKOSA-N 1 1 363.435 2.169 20 10 FECDMO C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3c([O-])cccc3Br)C2)CC1 ZINC000858135306 682937128 /nfs/dbraw/zinc/93/71/28/682937128.db2.gz QYPIHRMJAKJMSC-ZDUSSCGKSA-N 1 1 368.319 2.413 20 10 FECDMO COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000858542716 682978809 /nfs/dbraw/zinc/97/88/09/682978809.db2.gz WYKZOVDBJSQRRT-SECBINFHSA-N 1 1 363.241 2.419 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC(F)(F)CC1)cc2=O ZINC000859536965 683124719 /nfs/dbraw/zinc/12/47/19/683124719.db2.gz OEKYYFDBZAXNSQ-UHFFFAOYSA-N 1 1 354.357 2.233 20 10 FECDMO CNC(=O)CN1CCC([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000798181024 683318197 /nfs/dbraw/zinc/31/81/97/683318197.db2.gz OTDYZKHUCLZLRP-NSHDSACASA-N 1 1 359.392 2.272 20 10 FECDMO COC(=O)[C@]12C[N@@H+](Cc3cc(F)c(N(C)C)cc3F)C[C@H]1COCC2 ZINC000862350894 683575196 /nfs/dbraw/zinc/57/51/96/683575196.db2.gz ICLIKSRMOCPXGR-SCLBCKFNSA-N 1 1 354.397 2.042 20 10 FECDMO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000922448122 683724125 /nfs/dbraw/zinc/72/41/25/683724125.db2.gz CCQVRWYHFYROAN-UHFFFAOYSA-N 1 1 370.421 2.352 20 10 FECDMO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3nc(Cl)cs3)cc2)CC1 ZINC000877031522 686314733 /nfs/dbraw/zinc/31/47/33/686314733.db2.gz WXEOTFRCMADCCF-UHFFFAOYSA-N 1 1 371.915 2.321 20 10 FECDMO COC[C@]1(C(=O)OC(C)(C)C)C[N@H+](Cc2c(C)cccc2O)CCO1 ZINC000877695326 686438803 /nfs/dbraw/zinc/43/88/03/686438803.db2.gz OBJQDTRHNFENMZ-IBGZPJMESA-N 1 1 351.443 2.260 20 10 FECDMO COC[C@]1(C(=O)OC(C)(C)C)C[N@@H+](Cc2c(C)cccc2O)CCO1 ZINC000877695326 686438808 /nfs/dbraw/zinc/43/88/08/686438808.db2.gz OBJQDTRHNFENMZ-IBGZPJMESA-N 1 1 351.443 2.260 20 10 FECDMO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cc(Br)ccc3O)C2)C1 ZINC000877715530 686444347 /nfs/dbraw/zinc/44/43/47/686444347.db2.gz XTFSVQNUABRULE-HNNXBMFYSA-N 1 1 369.215 2.049 20 10 FECDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cc(Br)ccc3O)C2)C1 ZINC000877715530 686444348 /nfs/dbraw/zinc/44/43/48/686444348.db2.gz XTFSVQNUABRULE-HNNXBMFYSA-N 1 1 369.215 2.049 20 10 FECDMO CONC(=O)C1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000877786268 686457662 /nfs/dbraw/zinc/45/76/62/686457662.db2.gz CFTJHYLSLYUOAH-UHFFFAOYSA-N 1 1 357.248 2.353 20 10 FECDMO CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882913216 687526827 /nfs/dbraw/zinc/52/68/27/687526827.db2.gz MNQWILUHUJWXSZ-UHFFFAOYSA-N 1 1 356.394 2.009 20 10 FECDMO O=C(NCc1cccc(Cl)c1O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000890759432 688962654 /nfs/dbraw/zinc/96/26/54/688962654.db2.gz BLYCOOCVBXQHNG-LJQANCHMSA-N 1 1 360.841 2.299 20 10 FECDMO COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c(O)c1OC ZINC000891856362 689118160 /nfs/dbraw/zinc/11/81/60/689118160.db2.gz UDKSHPQQFBHSQM-CQSZACIVSA-N 1 1 350.459 2.394 20 10 FECDMO CCc1nnc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000896054306 689812693 /nfs/dbraw/zinc/81/26/93/689812693.db2.gz RUFOJFOHIDJMFL-UHFFFAOYSA-N 1 1 359.499 2.092 20 10 FECDMO COc1cc(O)c(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1OC ZINC000897176230 689985058 /nfs/dbraw/zinc/98/50/58/689985058.db2.gz QEQGDFMATHCAII-HNNXBMFYSA-N 1 1 351.443 2.163 20 10 FECDMO O=S1(=O)C[C@H]2C[N@@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C[C@H]2C1 ZINC000902616012 690787192 /nfs/dbraw/zinc/78/71/92/690787192.db2.gz XEGIUAQAQHKSAM-BETUJISGSA-N 1 1 361.463 2.494 20 10 FECDMO CO[C@]1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCS(=O)(=O)C1 ZINC000903363678 690885765 /nfs/dbraw/zinc/88/57/65/690885765.db2.gz QSGJVCIISRNVHB-HZMBPMFUSA-N 1 1 367.389 2.265 20 10 FECDMO Cc1cc(NC(=O)CC[N@H+](C)Cc2ccc(N3CCOCC3)cc2)no1 ZINC000070758498 541742119 /nfs/dbraw/zinc/74/21/19/541742119.db2.gz UTRAKEDDADGXKJ-UHFFFAOYSA-N 1 1 358.442 2.280 20 10 FECDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c1O ZINC000827001057 675722457 /nfs/dbraw/zinc/72/24/57/675722457.db2.gz RVVAYEBFSLAAEJ-CYBMUJFWSA-N 1 1 355.232 2.490 20 10 FECDMO CCOCCNC(=O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000084696383 542719375 /nfs/dbraw/zinc/71/93/75/542719375.db2.gz YJCAZXUUXVTLPS-UHFFFAOYSA-N 1 1 359.264 2.129 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000091964012 542834114 /nfs/dbraw/zinc/83/41/14/542834114.db2.gz OJLIOLNECRAJTG-UHFFFAOYSA-N 1 1 353.532 2.389 20 10 FECDMO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000092188235 542847282 /nfs/dbraw/zinc/84/72/82/542847282.db2.gz IFDFCKWFSOQTKT-CYBMUJFWSA-N 1 1 354.248 2.144 20 10 FECDMO CCOc1cccc(C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)c1O ZINC000092672581 542880736 /nfs/dbraw/zinc/88/07/36/542880736.db2.gz KVKCNMNHCVRYQE-HNNXBMFYSA-N 1 1 350.484 2.331 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC000123814085 543784855 /nfs/dbraw/zinc/78/48/55/543784855.db2.gz YVJGRYHPZGDSJC-GOSISDBHSA-N 1 1 369.513 2.057 20 10 FECDMO CN(C)C(=O)CN1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000129349547 544107027 /nfs/dbraw/zinc/10/70/27/544107027.db2.gz CSAHCILWPWLCHI-UHFFFAOYSA-N 1 1 358.530 2.273 20 10 FECDMO C[C@](O)(C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000804461348 674288206 /nfs/dbraw/zinc/28/82/06/674288206.db2.gz XNBPKCPMTLPCJQ-CRAIPNDOSA-N 1 1 352.862 2.287 20 10 FECDMO O=C(NCc1cc(Br)ccc1O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000805180777 674324297 /nfs/dbraw/zinc/32/42/97/674324297.db2.gz CQRFHLQDLCMRJY-LLVKDONJSA-N 1 1 368.275 2.438 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000478032660 561158603 /nfs/dbraw/zinc/15/86/03/561158603.db2.gz UMVMIYUSOMGBNS-LFUKPOHLSA-N 1 1 353.466 2.169 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000183162064 547613990 /nfs/dbraw/zinc/61/39/90/547613990.db2.gz WXAZVMPFWIQJMH-BCHFMIIMSA-N 1 1 373.522 2.078 20 10 FECDMO C[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)N1CCN(C)CC1 ZINC000185363767 547975823 /nfs/dbraw/zinc/97/58/23/547975823.db2.gz SWUMTGPEZXIUPE-CHWSQXEVSA-N 1 1 356.308 2.441 20 10 FECDMO COc1ccc(O)c(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000190313835 548322550 /nfs/dbraw/zinc/32/25/50/548322550.db2.gz NWXCBMXXGYRVAS-NRFANRHFSA-N 1 1 356.466 2.470 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000247984849 549398347 /nfs/dbraw/zinc/39/83/47/549398347.db2.gz IRSRQMLIUBLMDV-UYAOXDASSA-N 1 1 358.530 2.127 20 10 FECDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000263799133 549938489 /nfs/dbraw/zinc/93/84/89/549938489.db2.gz LMPFRLRZVFGMKH-LBPRGKRZSA-N 1 1 350.415 2.468 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C1CCC(OC)CC1)cc2=O ZINC000265263767 550008026 /nfs/dbraw/zinc/00/80/26/550008026.db2.gz YYIZSNZRBRGPPE-UHFFFAOYSA-N 1 1 362.430 2.001 20 10 FECDMO CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000266836896 550024620 /nfs/dbraw/zinc/02/46/20/550024620.db2.gz OAGLONGKKLSRNW-IBGZPJMESA-N 1 1 357.454 2.205 20 10 FECDMO CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000266836896 550024621 /nfs/dbraw/zinc/02/46/21/550024621.db2.gz OAGLONGKKLSRNW-IBGZPJMESA-N 1 1 357.454 2.205 20 10 FECDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000268165395 550036993 /nfs/dbraw/zinc/03/69/93/550036993.db2.gz PMNWRBWZVQYLPU-OXQOHEQNSA-N 1 1 372.513 2.147 20 10 FECDMO COc1cc(NC(=O)C[N@H+](C)Cc2cc3c(cc2O)OCO3)cc(OC)c1 ZINC000271260061 550358813 /nfs/dbraw/zinc/35/88/13/550358813.db2.gz KLVANUOVUQQTAV-UHFFFAOYSA-N 1 1 374.393 2.209 20 10 FECDMO COc1cc(NC(=O)C[N@@H+](C)Cc2cc3c(cc2O)OCO3)cc(OC)c1 ZINC000271260061 550358814 /nfs/dbraw/zinc/35/88/14/550358814.db2.gz KLVANUOVUQQTAV-UHFFFAOYSA-N 1 1 374.393 2.209 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000273476811 550499859 /nfs/dbraw/zinc/49/98/59/550499859.db2.gz LAKDOEDIHJJPDH-CRFBAAHOSA-N 1 1 359.422 2.314 20 10 FECDMO C[C@H]1C[N@@H+](CCCNC(=O)N(C)Cc2ccc(N(C)C)cc2)CCCO1 ZINC000277826443 550718480 /nfs/dbraw/zinc/71/84/80/550718480.db2.gz XIOCQPVMZSUOEK-KRWDZBQOSA-N 1 1 362.518 2.395 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCC[C@H]2COC(=O)N(C)C)cc1OC ZINC000289529582 552336074 /nfs/dbraw/zinc/33/60/74/552336074.db2.gz HOLDAJGFTGXQCS-AWEZNQCLSA-N 1 1 352.431 2.462 20 10 FECDMO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000293837799 552861071 /nfs/dbraw/zinc/86/10/71/552861071.db2.gz GXHTVIRKDDTUBT-LLVKDONJSA-N 1 1 362.854 2.231 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(c3ccncn3)CC2)cc1 ZINC000298556214 553440033 /nfs/dbraw/zinc/44/00/33/553440033.db2.gz ZJVIHUDRZXAWMN-UHFFFAOYSA-N 1 1 353.470 2.038 20 10 FECDMO CCC[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1O ZINC000299612422 553588943 /nfs/dbraw/zinc/58/89/43/553588943.db2.gz HUMCVEUUMUSDCF-UHFFFAOYSA-N 1 1 364.467 2.331 20 10 FECDMO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000361180742 554908761 /nfs/dbraw/zinc/90/87/61/554908761.db2.gz XIFKZALHVOOMKY-PMACEKPBSA-N 1 1 372.513 2.339 20 10 FECDMO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000361180742 554908763 /nfs/dbraw/zinc/90/87/63/554908763.db2.gz XIFKZALHVOOMKY-PMACEKPBSA-N 1 1 372.513 2.339 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCCN(C(=O)c3ccncc3)CC2)cc1OC ZINC000362379863 554967750 /nfs/dbraw/zinc/96/77/50/554967750.db2.gz KNNICDRJYIDRJD-UHFFFAOYSA-N 1 1 371.437 2.153 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](n3cncn3)C2)c1O ZINC000364534960 555331565 /nfs/dbraw/zinc/33/15/65/555331565.db2.gz YYDGEQIGWMNMGT-GFCCVEGCSA-N 1 1 353.220 2.202 20 10 FECDMO COc1cc(O)c(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1OC ZINC000365830677 555677919 /nfs/dbraw/zinc/67/79/19/555677919.db2.gz KXZOEORUYSBLAC-CQSZACIVSA-N 1 1 350.459 2.095 20 10 FECDMO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000366532587 555869358 /nfs/dbraw/zinc/86/93/58/555869358.db2.gz DIUJYWNIKHCLHP-GOSISDBHSA-N 1 1 366.527 2.312 20 10 FECDMO Cc1cc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c(C)n1-c1ccccn1 ZINC000367103345 556001103 /nfs/dbraw/zinc/00/11/03/556001103.db2.gz MEPLOIDHJSLOHR-ROUUACIJSA-N 1 1 368.481 2.472 20 10 FECDMO Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c(C)n1-c1ccccn1 ZINC000367103345 556001109 /nfs/dbraw/zinc/00/11/09/556001109.db2.gz MEPLOIDHJSLOHR-ROUUACIJSA-N 1 1 368.481 2.472 20 10 FECDMO Cc1noc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000514906615 561985925 /nfs/dbraw/zinc/98/59/25/561985925.db2.gz NUFQLACSMCDFOB-UHFFFAOYSA-N 1 1 367.453 2.416 20 10 FECDMO O=C(N[C@@H]1CCc2nc[nH]c2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000367861140 556157550 /nfs/dbraw/zinc/15/75/50/556157550.db2.gz YBIHYYIUFMWPTB-CVEARBPZSA-N 1 1 370.453 2.363 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@]3(CCCCO3)C1)cc2=O ZINC000369670087 556664455 /nfs/dbraw/zinc/66/44/55/556664455.db2.gz IWEVXIIKTIEQQP-IBGZPJMESA-N 1 1 374.441 2.147 20 10 FECDMO COc1cc(O)c(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000371362199 557161124 /nfs/dbraw/zinc/16/11/24/557161124.db2.gz YBGXVTLYARSPQR-BFYDXBDKSA-N 1 1 350.459 2.093 20 10 FECDMO CNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000372443234 557471973 /nfs/dbraw/zinc/47/19/73/557471973.db2.gz JMPNVEBXHFGSLD-OAQYLSRUSA-N 1 1 365.477 2.196 20 10 FECDMO CNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000372443234 557471974 /nfs/dbraw/zinc/47/19/74/557471974.db2.gz JMPNVEBXHFGSLD-OAQYLSRUSA-N 1 1 365.477 2.196 20 10 FECDMO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000372775191 557559897 /nfs/dbraw/zinc/55/98/97/557559897.db2.gz HROYBGYTGFRJRX-BMIGLBTASA-N 1 1 363.838 2.011 20 10 FECDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000373464132 557698558 /nfs/dbraw/zinc/69/85/58/557698558.db2.gz CNGJJBBTPPPKGS-RHSMWYFYSA-N 1 1 355.438 2.205 20 10 FECDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000373464132 557698561 /nfs/dbraw/zinc/69/85/61/557698561.db2.gz CNGJJBBTPPPKGS-RHSMWYFYSA-N 1 1 355.438 2.205 20 10 FECDMO Oc1cc2c(cc1C[NH+]1CC(n3cc(-c4ccccc4)nn3)C1)OCO2 ZINC000374783442 557930682 /nfs/dbraw/zinc/93/06/82/557930682.db2.gz QTRXZDPJDUFQDV-UHFFFAOYSA-N 1 1 350.378 2.436 20 10 FECDMO COc1c(O)c(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)ccc1[N+](=O)[O-] ZINC000376468925 558177463 /nfs/dbraw/zinc/17/74/63/558177463.db2.gz NSCIMVLQYPSCRM-LJQANCHMSA-N 1 1 369.377 2.405 20 10 FECDMO COc1c(O)c(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)ccc1[N+](=O)[O-] ZINC000376468925 558177464 /nfs/dbraw/zinc/17/74/64/558177464.db2.gz NSCIMVLQYPSCRM-LJQANCHMSA-N 1 1 369.377 2.405 20 10 FECDMO CCc1nc(CN2CCC[C@H]([N@@H+](C)Cc3cccc(OC)c3O)C2)no1 ZINC000378343338 558534362 /nfs/dbraw/zinc/53/43/62/558534362.db2.gz SZJPFIRVFGFNRF-HNNXBMFYSA-N 1 1 360.458 2.443 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1O ZINC000530238402 562403394 /nfs/dbraw/zinc/40/33/94/562403394.db2.gz NIRPHOMPWWPUSM-KRWDZBQOSA-N 1 1 350.434 2.324 20 10 FECDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000530238402 562403395 /nfs/dbraw/zinc/40/33/95/562403395.db2.gz NIRPHOMPWWPUSM-KRWDZBQOSA-N 1 1 350.434 2.324 20 10 FECDMO COc1ccc(N2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000737099201 598678167 /nfs/dbraw/zinc/67/81/67/598678167.db2.gz KABDSNYADOTGSP-UHFFFAOYSA-N 1 1 368.416 2.337 20 10 FECDMO Oc1ccccc1C[N@H+](Cc1ccnc(-c2nn[nH]n2)c1)C[C@H]1CCCO1 ZINC000826511383 607520754 /nfs/dbraw/zinc/52/07/54/607520754.db2.gz NDEOCGHJUOVAAU-MRXNPFEDSA-N 1 1 366.425 2.149 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000809793863 674510207 /nfs/dbraw/zinc/51/02/07/674510207.db2.gz QDPNHXSFCRQUDZ-XMMPIXPASA-N 1 1 350.396 2.336 20 10 FECDMO CCOc1ccc(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)c(O)c1 ZINC000816626833 675069483 /nfs/dbraw/zinc/06/94/83/675069483.db2.gz WDRCOVIDSKRHLT-UHFFFAOYSA-N 1 1 350.440 2.070 20 10 FECDMO CCOc1ccc(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)c(O)c1 ZINC000816626833 675069487 /nfs/dbraw/zinc/06/94/87/675069487.db2.gz WDRCOVIDSKRHLT-UHFFFAOYSA-N 1 1 350.440 2.070 20 10 FECDMO CC[C@@H](CSC)[N@@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000091098518 670718966 /nfs/dbraw/zinc/71/89/66/670718966.db2.gz HRWNIUFMWKOXNJ-INIZCTEOSA-N 1 1 365.543 2.417 20 10 FECDMO O=C(NCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(F)(F)F ZINC000091619271 670729593 /nfs/dbraw/zinc/72/95/93/670729593.db2.gz HXGPRTPLDYCNIX-AWEZNQCLSA-N 1 1 360.376 2.442 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1O ZINC000093808532 670755928 /nfs/dbraw/zinc/75/59/28/670755928.db2.gz IFRNOBAOYWXLLQ-JTQLQIEISA-N 1 1 357.248 2.251 20 10 FECDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000108557718 670830379 /nfs/dbraw/zinc/83/03/79/670830379.db2.gz WMHAKONXZHRSDJ-KRWDZBQOSA-N 1 1 362.543 2.381 20 10 FECDMO CN1CC[NH+](C[C@@H](O)COc2ccc(N3CCCCC3)c(Cl)c2)CC1 ZINC000817570924 675148012 /nfs/dbraw/zinc/14/80/12/675148012.db2.gz JWRKRMLWHMOSLE-MRXNPFEDSA-N 1 1 367.921 2.317 20 10 FECDMO COc1ccc(O)c(CNC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000114543514 670891475 /nfs/dbraw/zinc/89/14/75/670891475.db2.gz ZESUPOYSUHHYDL-DEYYWGMASA-N 1 1 350.459 2.151 20 10 FECDMO CCc1cc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000116869942 670908806 /nfs/dbraw/zinc/90/88/06/670908806.db2.gz MVNPIMQPGSBFHI-OAHLLOKOSA-N 1 1 354.516 2.376 20 10 FECDMO COCC[N@@H+]1[C@H](C)CN(C(=O)NCCCSc2nccs2)C[C@@H]1C ZINC000130863997 672080875 /nfs/dbraw/zinc/08/08/75/672080875.db2.gz CTURHYWZQMIAQW-OKILXGFUSA-N 1 1 372.560 2.376 20 10 FECDMO Cc1cc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n2ncnc2n1 ZINC000133920989 672116994 /nfs/dbraw/zinc/11/69/94/672116994.db2.gz XRVDACGNSXAXBL-UHFFFAOYSA-N 1 1 358.833 2.114 20 10 FECDMO C[N@@H+](CCCO)C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154610363 672219239 /nfs/dbraw/zinc/21/92/39/672219239.db2.gz QQSACYAMZGPZEP-UHFFFAOYSA-N 1 1 372.560 2.114 20 10 FECDMO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccc(Cl)o3)cc2)CC1 ZINC000733331043 673410085 /nfs/dbraw/zinc/41/00/85/673410085.db2.gz YBFGCRSPCPOIBM-UHFFFAOYSA-N 1 1 354.859 2.458 20 10 FECDMO CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825114966 675637472 /nfs/dbraw/zinc/63/74/72/675637472.db2.gz XLBAGQWWPFXGFN-ZDUSSCGKSA-N 1 1 356.308 2.270 20 10 FECDMO CC[NH+]1CCN(CCC[NH2+]Cc2ccc(Br)cc2[O-])CC1 ZINC000825421814 675652308 /nfs/dbraw/zinc/65/23/08/675652308.db2.gz HECNDYUTNMZSTG-UHFFFAOYSA-N 1 1 356.308 2.272 20 10 FECDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000827544673 675763985 /nfs/dbraw/zinc/76/39/85/675763985.db2.gz HYHGZRBRUSYRJH-GOEBONIOSA-N 1 1 350.434 2.293 20 10 FECDMO C[C@@H]1C[N@@H+](CCCNC(=O)NCCCSc2nccs2)CCCO1 ZINC000764460649 680810163 /nfs/dbraw/zinc/81/01/63/680810163.db2.gz FNBAHCSZTOHDEM-CQSZACIVSA-N 1 1 372.560 2.425 20 10 FECDMO C[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(Br)c2O)C1 ZINC000764792931 680821384 /nfs/dbraw/zinc/82/13/84/680821384.db2.gz ZYXSPTJMRKUDST-NSHDSACASA-N 1 1 356.264 2.296 20 10 FECDMO Nc1ccc(NC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000841301105 680872915 /nfs/dbraw/zinc/87/29/15/680872915.db2.gz AKQFPOIRIOSFDX-UHFFFAOYSA-N 1 1 360.380 2.387 20 10 FECDMO CN1CCN(c2ccc(C[NH2+]CCc3cn4c(n3)SCC4)cc2)CC1 ZINC000767189596 680902172 /nfs/dbraw/zinc/90/21/72/680902172.db2.gz QPHRYHBZKKEYTA-UHFFFAOYSA-N 1 1 357.527 2.073 20 10 FECDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000769533374 680986193 /nfs/dbraw/zinc/98/61/93/680986193.db2.gz NOLSAZGXXAXDGU-SFHVURJKSA-N 1 1 351.516 2.191 20 10 FECDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCC(=O)C1 ZINC000843831525 681020991 /nfs/dbraw/zinc/02/09/91/681020991.db2.gz QEVQJRFXTIDWHD-WFASDCNBSA-N 1 1 350.846 2.495 20 10 FECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CCC(=O)C1 ZINC000843831525 681020992 /nfs/dbraw/zinc/02/09/92/681020992.db2.gz QEVQJRFXTIDWHD-WFASDCNBSA-N 1 1 350.846 2.495 20 10 FECDMO [NH3+]CC(F)(F)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000846673739 681274659 /nfs/dbraw/zinc/27/46/59/681274659.db2.gz DTVXZDVRLNDTBW-NSHDSACASA-N 1 1 363.355 2.357 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1 ZINC000848565997 681579943 /nfs/dbraw/zinc/57/99/43/681579943.db2.gz OYDHAZYZMUVVIB-NSHDSACASA-N 1 1 351.248 2.239 20 10 FECDMO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849271483 681674787 /nfs/dbraw/zinc/67/47/87/681674787.db2.gz LEWTWCSZWDNSPB-DOTOQJQBSA-N 1 1 362.543 2.222 20 10 FECDMO CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849271484 681674868 /nfs/dbraw/zinc/67/48/68/681674868.db2.gz LEWTWCSZWDNSPB-NVXWUHKLSA-N 1 1 362.543 2.222 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)c1 ZINC000850496502 681908348 /nfs/dbraw/zinc/90/83/48/681908348.db2.gz OOZAWSPTTBYRNS-KLVQOETNSA-N 1 1 353.362 2.140 20 10 FECDMO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cc(F)cc(F)c1O ZINC000790758008 682699550 /nfs/dbraw/zinc/69/95/50/682699550.db2.gz NEAVSJDUFZKQBV-LLVKDONJSA-N 1 1 371.405 2.287 20 10 FECDMO Cc1cc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000793595506 682898407 /nfs/dbraw/zinc/89/84/07/682898407.db2.gz YAZCDYALNUSLDZ-OAHLLOKOSA-N 1 1 354.516 2.464 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CN1C[C@H](C(F)F)CC1=O ZINC000795399414 683049302 /nfs/dbraw/zinc/04/93/02/683049302.db2.gz CVSHYXJBWCPKOS-OAHLLOKOSA-N 1 1 353.413 2.026 20 10 FECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CN1C[C@H](C(F)F)CC1=O ZINC000795399414 683049303 /nfs/dbraw/zinc/04/93/03/683049303.db2.gz CVSHYXJBWCPKOS-OAHLLOKOSA-N 1 1 353.413 2.026 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CCN(C(=O)OC)CC2)c1 ZINC000797096524 683222094 /nfs/dbraw/zinc/22/20/94/683222094.db2.gz KGGFHRRVJXJGOS-LBPRGKRZSA-N 1 1 350.415 2.308 20 10 FECDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000797605369 683261219 /nfs/dbraw/zinc/26/12/19/683261219.db2.gz QAOSFNJBUJUKLR-HNNXBMFYSA-N 1 1 357.248 2.121 20 10 FECDMO CN(C)c1cc(F)c(C[N@H+](CCO)CCOCC(F)(F)F)cc1F ZINC000862243429 683558089 /nfs/dbraw/zinc/55/80/89/683558089.db2.gz ZWGNGDMOLWHXPN-UHFFFAOYSA-N 1 1 356.335 2.404 20 10 FECDMO CN(C)c1cc(F)c(C[N@@H+](CCO)CCOCC(F)(F)F)cc1F ZINC000862243429 683558091 /nfs/dbraw/zinc/55/80/91/683558091.db2.gz ZWGNGDMOLWHXPN-UHFFFAOYSA-N 1 1 356.335 2.404 20 10 FECDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CC1CN(S(C)(=O)=O)C1 ZINC000929184396 683559372 /nfs/dbraw/zinc/55/93/72/683559372.db2.gz KRIZJVSBPWJBGV-UHFFFAOYSA-N 1 1 351.516 2.000 20 10 FECDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c(O)cccc1Br ZINC000862335044 683573256 /nfs/dbraw/zinc/57/32/56/683573256.db2.gz XCPLBSRUIRITQR-LBPRGKRZSA-N 1 1 357.292 2.432 20 10 FECDMO O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925167327 684534157 /nfs/dbraw/zinc/53/41/57/684534157.db2.gz PPAWBXOXVATQRR-KGLIPLIRSA-N 1 1 355.891 2.425 20 10 FECDMO C[C@@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000925788568 684585835 /nfs/dbraw/zinc/58/58/35/684585835.db2.gz KEOKEZPQPHTBBD-NXEZZACHSA-N 1 1 367.298 2.126 20 10 FECDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C(F)(F)F ZINC000872825124 685021171 /nfs/dbraw/zinc/02/11/71/685021171.db2.gz KCXFFCROGONRGR-GHMZBOCLSA-N 1 1 361.316 2.294 20 10 FECDMO CCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000876537992 686216159 /nfs/dbraw/zinc/21/61/59/686216159.db2.gz JCVKIDDDRSCLMP-SFHVURJKSA-N 1 1 366.527 2.047 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](O)CC2(O)CCOCC2)cc1 ZINC000877922827 686483681 /nfs/dbraw/zinc/48/36/81/686483681.db2.gz VPDFWMVKWQQJNC-LJQANCHMSA-N 1 1 350.503 2.257 20 10 FECDMO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883084145 687559445 /nfs/dbraw/zinc/55/94/45/687559445.db2.gz IMZHDOCXYWWMCI-UHFFFAOYSA-N 1 1 362.442 2.210 20 10 FECDMO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)[C@H](O)C1 ZINC000883196766 687585717 /nfs/dbraw/zinc/58/57/17/687585717.db2.gz VRYRUZSNEXGGSM-UONOGXRCSA-N 1 1 358.385 2.130 20 10 FECDMO CCN1CC[NH+](CCCNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895714544 689759910 /nfs/dbraw/zinc/75/99/10/689759910.db2.gz FHISNWFMGDKGKZ-UHFFFAOYSA-N 1 1 363.483 2.070 20 10 FECDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897781758 690079378 /nfs/dbraw/zinc/07/93/78/690079378.db2.gz GMXQKJVUUIAUKS-UHFFFAOYSA-N 1 1 365.499 2.268 20 10 FECDMO CN(CCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1)CC[NH+](C)C ZINC000897781758 690079383 /nfs/dbraw/zinc/07/93/83/690079383.db2.gz GMXQKJVUUIAUKS-UHFFFAOYSA-N 1 1 365.499 2.268 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN3CCSC[C@H]23)c1 ZINC000903271778 690877448 /nfs/dbraw/zinc/87/74/48/690877448.db2.gz NTAQHLUBRNJNOL-VBNZEHGJSA-N 1 1 350.484 2.409 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H](C)c3ccncc3)CC2)cc1 ZINC000127497424 543997046 /nfs/dbraw/zinc/99/70/46/543997046.db2.gz DLJJDRNMMZGQAC-KRWDZBQOSA-N 1 1 368.481 2.432 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@@H](C)c3ccncc3)CC2)cc1 ZINC000127497424 543997049 /nfs/dbraw/zinc/99/70/49/543997049.db2.gz DLJJDRNMMZGQAC-KRWDZBQOSA-N 1 1 368.481 2.432 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H](C)c1ccccn1)cc2=O ZINC000128106526 544032947 /nfs/dbraw/zinc/03/29/47/544032947.db2.gz LRIBXUZTTAVQQO-GFCCVEGCSA-N 1 1 355.398 2.200 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@H](C)c1ccccn1)cc2=O ZINC000128106526 544032950 /nfs/dbraw/zinc/03/29/50/544032950.db2.gz LRIBXUZTTAVQQO-GFCCVEGCSA-N 1 1 355.398 2.200 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCc3ccsc3C1)cc2=O ZINC000132478608 544232496 /nfs/dbraw/zinc/23/24/96/544232496.db2.gz OGADZZJTQFAWFT-UHFFFAOYSA-N 1 1 358.423 2.231 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCc3ccsc3C1)cc2=O ZINC000132478608 544232498 /nfs/dbraw/zinc/23/24/98/544232498.db2.gz OGADZZJTQFAWFT-UHFFFAOYSA-N 1 1 358.423 2.231 20 10 FECDMO COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805136433 674322203 /nfs/dbraw/zinc/32/22/03/674322203.db2.gz FOPDZZYQUBLZHC-GFCCVEGCSA-N 1 1 362.257 2.219 20 10 FECDMO COCC[N@H+]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805136433 674322205 /nfs/dbraw/zinc/32/22/05/674322205.db2.gz FOPDZZYQUBLZHC-GFCCVEGCSA-N 1 1 362.257 2.219 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000170998683 546185053 /nfs/dbraw/zinc/18/50/53/546185053.db2.gz GWKMSDRJWXKIEC-ZGBFETHSSA-N 1 1 355.482 2.233 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000170998681 546185121 /nfs/dbraw/zinc/18/51/21/546185121.db2.gz GWKMSDRJWXKIEC-AQDCRGGLSA-N 1 1 355.482 2.233 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C(F)(F)F)CC1)cc2=O ZINC000173773258 546286171 /nfs/dbraw/zinc/28/61/71/546286171.db2.gz VVZASCLUHLBXQO-UHFFFAOYSA-N 1 1 372.347 2.386 20 10 FECDMO Cc1ccc(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(O)c1O ZINC000177680053 546666740 /nfs/dbraw/zinc/66/67/40/546666740.db2.gz SWPILIGBYUGPLD-GASCZTMLSA-N 1 1 362.470 2.368 20 10 FECDMO COc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)c1O ZINC000180831286 547187367 /nfs/dbraw/zinc/18/73/67/547187367.db2.gz KFQOKWYGAUFZBB-UHFFFAOYSA-N 1 1 373.428 2.296 20 10 FECDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000181555978 547335367 /nfs/dbraw/zinc/33/53/67/547335367.db2.gz IQUXVJGJKOASCT-GOSISDBHSA-N 1 1 351.516 2.191 20 10 FECDMO Cc1cc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c(C)n1-c1ccccn1 ZINC000184080668 547766870 /nfs/dbraw/zinc/76/68/70/547766870.db2.gz IDJMMWVWSCIJHM-INIZCTEOSA-N 1 1 369.513 2.245 20 10 FECDMO C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@H+]1CC(C)(C)O ZINC000188891351 548290552 /nfs/dbraw/zinc/29/05/52/548290552.db2.gz XTZSZDZIRBISTK-KRWDZBQOSA-N 1 1 372.513 2.049 20 10 FECDMO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000193007991 548378170 /nfs/dbraw/zinc/37/81/70/548378170.db2.gz SHDBNVQLSDNNLS-VIFPVBQESA-N 1 1 356.271 2.411 20 10 FECDMO COc1cc(C[N@H+]2CC[C@H](NC(=O)Cc3ccc(N)cc3)C2)cc(OC)c1 ZINC000237306833 548817560 /nfs/dbraw/zinc/81/75/60/548817560.db2.gz OSYAMVDMPIXMHB-SFHVURJKSA-N 1 1 369.465 2.219 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@@H](C)CCSC)cc2=O ZINC000265515330 550010794 /nfs/dbraw/zinc/01/07/94/550010794.db2.gz QHQGQDDFAMDHNL-NSHDSACASA-N 1 1 352.460 2.185 20 10 FECDMO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000268565433 550087568 /nfs/dbraw/zinc/08/75/68/550087568.db2.gz FPORJPYILZGTCZ-IBGZPJMESA-N 1 1 374.529 2.090 20 10 FECDMO COc1ccc(COC[C@H](O)C[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000269669461 550215748 /nfs/dbraw/zinc/21/57/48/550215748.db2.gz WQQYFBDFTWYRHE-QGZVFWFLSA-N 1 1 361.438 2.419 20 10 FECDMO O=C(Cn1c[nH+]c2c1CCCC2)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000272242623 550430790 /nfs/dbraw/zinc/43/07/90/550430790.db2.gz NUQSVPKTTHRDIQ-UHFFFAOYSA-N 1 1 372.444 2.054 20 10 FECDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000273595141 550504548 /nfs/dbraw/zinc/50/45/48/550504548.db2.gz QJCNTTLUMFTZNO-HNNXBMFYSA-N 1 1 363.502 2.103 20 10 FECDMO COCCOCCOCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000276299958 550577908 /nfs/dbraw/zinc/57/79/08/550577908.db2.gz VPFSMCKDGVWERL-UHFFFAOYSA-N 1 1 359.850 2.360 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000276282114 550577928 /nfs/dbraw/zinc/57/79/28/550577928.db2.gz NBGLMADAWFSKLM-PYJQOMOHSA-N 1 1 366.465 2.112 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277182279 550640750 /nfs/dbraw/zinc/64/07/50/550640750.db2.gz TYINQUZKBHJOMI-CYBMUJFWSA-N 1 1 356.426 2.288 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)c3c[nH]nc3C(C)C)CC2)cc1 ZINC000277637033 550694935 /nfs/dbraw/zinc/69/49/35/550694935.db2.gz CGZPKSWGBXBSJJ-UHFFFAOYSA-N 1 1 371.485 2.094 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@H]2COC3(CCCCC3)O2)ccc1[N+](=O)[O-] ZINC000278464799 550789226 /nfs/dbraw/zinc/78/92/26/550789226.db2.gz FWCTUNBJPCSPDH-ZDUSSCGKSA-N 1 1 352.387 2.474 20 10 FECDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1O ZINC000278990664 550843974 /nfs/dbraw/zinc/84/39/74/550843974.db2.gz APXYTYRFDIKXLX-CQSZACIVSA-N 1 1 374.890 2.054 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1O ZINC000278990664 550843975 /nfs/dbraw/zinc/84/39/75/550843975.db2.gz APXYTYRFDIKXLX-CQSZACIVSA-N 1 1 374.890 2.054 20 10 FECDMO O=S1(=O)CCC[C@H](C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000283949849 551455708 /nfs/dbraw/zinc/45/57/08/551455708.db2.gz DKVRQZDUVINOMM-NVXWUHKLSA-N 1 1 353.484 2.198 20 10 FECDMO CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(F)cc1O ZINC000285494517 551765224 /nfs/dbraw/zinc/76/52/24/551765224.db2.gz ANUYNXAHIISTDF-JSGCOSHPSA-N 1 1 373.471 2.468 20 10 FECDMO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000289871483 552392585 /nfs/dbraw/zinc/39/25/85/552392585.db2.gz RFRICCMZQJXDDA-SFHVURJKSA-N 1 1 361.873 2.345 20 10 FECDMO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2cccc(OCC)c2O)CC1 ZINC000294769638 552932795 /nfs/dbraw/zinc/93/27/95/552932795.db2.gz KCKYMAOYZRYINU-RUZDIDTESA-N 1 1 369.483 2.067 20 10 FECDMO COc1c(O)c(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000295142090 552962704 /nfs/dbraw/zinc/96/27/04/552962704.db2.gz QBKLKSBBPYEBRA-UHFFFAOYSA-N 1 1 372.443 2.002 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCN4CCO[C@H]3C4)cc2)CC1 ZINC000295330085 552988725 /nfs/dbraw/zinc/98/87/25/552988725.db2.gz HHGDJXRISMPNAB-RTWAWAEBSA-N 1 1 359.514 2.207 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000297917346 553357132 /nfs/dbraw/zinc/35/71/32/553357132.db2.gz SZEQQGMZAPBWLH-IBGZPJMESA-N 1 1 374.529 2.044 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3nc(C)c(C)o3)CC2)cc1 ZINC000299301564 553544688 /nfs/dbraw/zinc/54/46/88/553544688.db2.gz BNZXXPQONZHFGT-UHFFFAOYSA-N 1 1 373.457 2.244 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCOCC3(CCCC3)C1)cc2=O ZINC000364331396 555292879 /nfs/dbraw/zinc/29/28/79/555292879.db2.gz YWHQUJYQMGTBPX-UHFFFAOYSA-N 1 1 374.441 2.004 20 10 FECDMO CC[C@@H](c1ccccc1O)[NH+]1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000368037575 556200595 /nfs/dbraw/zinc/20/05/95/556200595.db2.gz NASYVURSRAFMNG-RDJZCZTQSA-N 1 1 352.500 2.084 20 10 FECDMO O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368619619 556365316 /nfs/dbraw/zinc/36/53/16/556365316.db2.gz QPYNJMGCDNCRRS-CHWSQXEVSA-N 1 1 374.268 2.361 20 10 FECDMO O=C(NCc1cc(Cl)cc(Cl)c1O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368619619 556365318 /nfs/dbraw/zinc/36/53/18/556365318.db2.gz QPYNJMGCDNCRRS-CHWSQXEVSA-N 1 1 374.268 2.361 20 10 FECDMO O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CSC[NH2+]1 ZINC000370781921 556966600 /nfs/dbraw/zinc/96/66/00/556966600.db2.gz RAYJDZSXYNWILZ-CQSZACIVSA-N 1 1 357.426 2.036 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371592354 557232746 /nfs/dbraw/zinc/23/27/46/557232746.db2.gz KNAFGYAOGLQVQT-WQHZJRCTSA-N 1 1 355.482 2.279 20 10 FECDMO CCOc1cccc(C[NH+]2CCN(C3(C(N)=O)CCCCC3)CC2)c1O ZINC000372399524 557460629 /nfs/dbraw/zinc/46/06/29/557460629.db2.gz NFNHDOWOGLMZDY-UHFFFAOYSA-N 1 1 361.486 2.097 20 10 FECDMO CCOc1cccc(CN2CC[NH+](C3(C(N)=O)CCCCC3)CC2)c1O ZINC000372399524 557460632 /nfs/dbraw/zinc/46/06/32/557460632.db2.gz NFNHDOWOGLMZDY-UHFFFAOYSA-N 1 1 361.486 2.097 20 10 FECDMO CC[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCCOC1)c1ccc(F)cc1O ZINC000375789323 558080003 /nfs/dbraw/zinc/08/00/03/558080003.db2.gz TZHYBRYOKSMDDM-IEBWSBKVSA-N 1 1 352.450 2.453 20 10 FECDMO CCn1cnnc1[C@@H]1C[N@@H+]([C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000375919154 558099667 /nfs/dbraw/zinc/09/96/67/558099667.db2.gz ZAJJAFJFXAZMRZ-LPHOPBHVSA-N 1 1 371.485 2.269 20 10 FECDMO CCn1cnnc1[C@@H]1C[N@H+]([C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000375919154 558099668 /nfs/dbraw/zinc/09/96/68/558099668.db2.gz ZAJJAFJFXAZMRZ-LPHOPBHVSA-N 1 1 371.485 2.269 20 10 FECDMO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000377691660 558398515 /nfs/dbraw/zinc/39/85/15/558398515.db2.gz HVHNANUYEMGOCY-HZPDHXFCSA-N 1 1 352.406 2.401 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCC(=O)N(C)C)C1 ZINC000435499276 559924195 /nfs/dbraw/zinc/92/41/95/559924195.db2.gz FAOQUULQXOLDDL-UHFFFAOYSA-N 1 1 370.497 2.002 20 10 FECDMO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2c(O)ccc(Cl)c2F)NC(=O)NC1=O ZINC000809704730 674506227 /nfs/dbraw/zinc/50/62/27/674506227.db2.gz IUUWVINAOZFYLO-ABKXIKBNSA-N 1 1 355.797 2.137 20 10 FECDMO C[C@@]1(C[C@H]2CCC[N@H+]2Cc2c(O)ccc(Cl)c2F)NC(=O)NC1=O ZINC000809704730 674506230 /nfs/dbraw/zinc/50/62/30/674506230.db2.gz IUUWVINAOZFYLO-ABKXIKBNSA-N 1 1 355.797 2.137 20 10 FECDMO C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1O ZINC000815557225 674959090 /nfs/dbraw/zinc/95/90/90/674959090.db2.gz OUDOOBAYVNLIJP-JTQLQIEISA-N 1 1 366.405 2.486 20 10 FECDMO Cc1cc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)n2ncnc2n1 ZINC000133935706 672117412 /nfs/dbraw/zinc/11/74/12/672117412.db2.gz CEHQMUQFPXTYCH-UHFFFAOYSA-N 1 1 358.833 2.114 20 10 FECDMO Cc1cc(Br)cc(C[N@@H+](C)[C@@H](C)CS(C)(=O)=O)c1O ZINC000180236221 672411524 /nfs/dbraw/zinc/41/15/24/672411524.db2.gz SPXXRDSFFSXCMQ-JTQLQIEISA-N 1 1 350.278 2.328 20 10 FECDMO Cc1cc(Br)cc(C[N@H+](C)[C@@H](C)CS(C)(=O)=O)c1O ZINC000180236221 672411526 /nfs/dbraw/zinc/41/15/26/672411526.db2.gz SPXXRDSFFSXCMQ-JTQLQIEISA-N 1 1 350.278 2.328 20 10 FECDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000185175429 672522167 /nfs/dbraw/zinc/52/21/67/672522167.db2.gz RULUYEICSHTXMF-UHFFFAOYSA-N 1 1 362.543 2.475 20 10 FECDMO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000185194917 672522625 /nfs/dbraw/zinc/52/26/25/672522625.db2.gz AECHBEZRJXHCLS-ZDUSSCGKSA-N 1 1 352.431 2.469 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCSC[C@H](C)C3)CC2)cc1 ZINC000190412184 672640390 /nfs/dbraw/zinc/64/03/90/672640390.db2.gz LGZDDCMXQNCGIH-MRXNPFEDSA-N 1 1 363.527 2.029 20 10 FECDMO O=C(NC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000325846479 673051190 /nfs/dbraw/zinc/05/11/90/673051190.db2.gz ZFLKVPNWVFWZLP-CJNGLKHVSA-N 1 1 351.878 2.126 20 10 FECDMO O=C(NC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000325846479 673051193 /nfs/dbraw/zinc/05/11/93/673051193.db2.gz ZFLKVPNWVFWZLP-CJNGLKHVSA-N 1 1 351.878 2.126 20 10 FECDMO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cccnc3Cl)cc2)CC1 ZINC000733330587 673410013 /nfs/dbraw/zinc/41/00/13/673410013.db2.gz CUHXDIGCPFJJGE-UHFFFAOYSA-N 1 1 365.886 2.260 20 10 FECDMO C[N@H+](CC(=O)NCc1ccco1)Cc1ccc(Br)cc1O ZINC000824528788 675608754 /nfs/dbraw/zinc/60/87/54/675608754.db2.gz CIQSHCILNXSINA-UHFFFAOYSA-N 1 1 353.216 2.496 20 10 FECDMO C[N@@H+](CC(=O)NCc1ccco1)Cc1ccc(Br)cc1O ZINC000824528788 675608755 /nfs/dbraw/zinc/60/87/55/675608755.db2.gz CIQSHCILNXSINA-UHFFFAOYSA-N 1 1 353.216 2.496 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000824582622 675611983 /nfs/dbraw/zinc/61/19/83/675611983.db2.gz BKUFYIRQVDWSDE-CQSZACIVSA-N 1 1 357.292 2.400 20 10 FECDMO COc1cccc(O)c1C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000824828176 675623943 /nfs/dbraw/zinc/62/39/43/675623943.db2.gz LUJXAVSJZPLHQJ-NEPJUHHUSA-N 1 1 358.360 2.243 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827141603 675733356 /nfs/dbraw/zinc/73/33/56/675733356.db2.gz VCRANLKBZGMELJ-GWCFXTLKSA-N 1 1 369.259 2.264 20 10 FECDMO CC1=NO[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544627 677046386 /nfs/dbraw/zinc/04/63/86/677046386.db2.gz SBIQNIJSXCYLJS-GOEBONIOSA-N 1 1 351.834 2.291 20 10 FECDMO Cc1cc(N(C)C)ccc1C[N@@H+](CCO)CCNC(=O)OC(C)(C)C ZINC000840938224 680855108 /nfs/dbraw/zinc/85/51/08/680855108.db2.gz LYRGNOAZFWSWPK-UHFFFAOYSA-N 1 1 351.491 2.380 20 10 FECDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1 ZINC000835051706 680291357 /nfs/dbraw/zinc/29/13/57/680291357.db2.gz GWGXDDYVBLVWJZ-SUQGKYDKSA-N 1 1 365.543 2.369 20 10 FECDMO CC[N@H+](CCS(C)(=O)=O)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000753797874 680315479 /nfs/dbraw/zinc/31/54/79/680315479.db2.gz YLYYPIFLRTUZAN-UHFFFAOYSA-N 1 1 365.451 2.199 20 10 FECDMO CC[N@@H+](CCS(C)(=O)=O)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000753797874 680315482 /nfs/dbraw/zinc/31/54/82/680315482.db2.gz YLYYPIFLRTUZAN-UHFFFAOYSA-N 1 1 365.451 2.199 20 10 FECDMO COc1cc(C[N@@H+](C)CCN2CCCS2(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000754737783 680374077 /nfs/dbraw/zinc/37/40/77/680374077.db2.gz VHZMYSDRZSNDMT-UHFFFAOYSA-N 1 1 370.515 2.166 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c1 ZINC000756356140 680474048 /nfs/dbraw/zinc/47/40/48/680474048.db2.gz ZNVYTTHSCZQQLC-GOEBONIOSA-N 1 1 350.459 2.186 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1 ZINC000756366318 680474620 /nfs/dbraw/zinc/47/46/20/680474620.db2.gz GTPCNCFJLOBETA-PBHICJAKSA-N 1 1 350.459 2.186 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1 ZINC000768342087 680944591 /nfs/dbraw/zinc/94/45/91/680944591.db2.gz NVGKRPFZUJDYLG-SFHVURJKSA-N 1 1 353.532 2.437 20 10 FECDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)cc1F ZINC000769426427 680982600 /nfs/dbraw/zinc/98/26/00/680982600.db2.gz AKUYETYRPVREIP-HNNXBMFYSA-N 1 1 357.495 2.186 20 10 FECDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)cc1F ZINC000769426427 680982601 /nfs/dbraw/zinc/98/26/01/680982601.db2.gz AKUYETYRPVREIP-HNNXBMFYSA-N 1 1 357.495 2.186 20 10 FECDMO [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CC12CCOCC2 ZINC000843124435 680989017 /nfs/dbraw/zinc/98/90/17/680989017.db2.gz AUMQYBZPUFHSCB-CYBMUJFWSA-N 1 1 355.276 2.342 20 10 FECDMO CN(Cc1cc(Br)cc(Br)c1O)C1C[NH2+]C1 ZINC000843124866 680989044 /nfs/dbraw/zinc/98/90/44/680989044.db2.gz NWPSKGSOIPQTRV-UHFFFAOYSA-N 1 1 350.054 2.321 20 10 FECDMO COc1ccc(N(C)CCN(C)C(=O)[C@@H](C)[NH+]2CCSCC2)cc1 ZINC000844853878 681088322 /nfs/dbraw/zinc/08/83/22/681088322.db2.gz FPBGBWYAXWDUHQ-OAHLLOKOSA-N 1 1 351.516 2.027 20 10 FECDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cc(Cl)ccc3O)C2)CC1 ZINC000844985633 681096680 /nfs/dbraw/zinc/09/66/80/681096680.db2.gz RBCBRVYBMWMKPE-OAHLLOKOSA-N 1 1 366.893 2.013 20 10 FECDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCc3cc(Cl)ccc3O)C2)CC1 ZINC000844985633 681096681 /nfs/dbraw/zinc/09/66/81/681096681.db2.gz RBCBRVYBMWMKPE-OAHLLOKOSA-N 1 1 366.893 2.013 20 10 FECDMO COc1c(O)c(C[N@H+](C)CCCNC(=O)C2CCC2)ccc1[N+](=O)[O-] ZINC000775118819 681275732 /nfs/dbraw/zinc/27/57/32/681275732.db2.gz PWNYYLPCIHEYFL-UHFFFAOYSA-N 1 1 351.403 2.047 20 10 FECDMO COc1c(O)c(C[N@@H+](C)CCCNC(=O)C2CCC2)ccc1[N+](=O)[O-] ZINC000775118819 681275737 /nfs/dbraw/zinc/27/57/37/681275737.db2.gz PWNYYLPCIHEYFL-UHFFFAOYSA-N 1 1 351.403 2.047 20 10 FECDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCc3c(nnn3C)C2)c1 ZINC000848565996 681579953 /nfs/dbraw/zinc/57/99/53/681579953.db2.gz OYDHAZYZMUVVIB-LLVKDONJSA-N 1 1 351.248 2.239 20 10 FECDMO COCC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C[C@@H](O)C(F)(F)F ZINC000848922076 681642406 /nfs/dbraw/zinc/64/24/06/681642406.db2.gz LWJNEAKRGMWMRT-GFCCVEGCSA-N 1 1 357.756 2.426 20 10 FECDMO COCC[N@H+](Cc1cc(Cl)cc(OC)c1O)C[C@@H](O)C(F)(F)F ZINC000848922076 681642411 /nfs/dbraw/zinc/64/24/11/681642411.db2.gz LWJNEAKRGMWMRT-GFCCVEGCSA-N 1 1 357.756 2.426 20 10 FECDMO Cn1ncc(Cl)c1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000780511347 681836090 /nfs/dbraw/zinc/83/60/90/681836090.db2.gz NBJXGDHCGNGFLP-AWEZNQCLSA-N 1 1 361.877 2.065 20 10 FECDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000781921251 681989341 /nfs/dbraw/zinc/98/93/41/681989341.db2.gz RKNUCDWOQZHSKF-OAHLLOKOSA-N 1 1 368.499 2.227 20 10 FECDMO CC[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(=O)OC ZINC000790788478 682701847 /nfs/dbraw/zinc/70/18/47/682701847.db2.gz YUJAZIBLUZOXTB-LSDHHAIUSA-N 1 1 368.861 2.325 20 10 FECDMO Cn1ccnc1CN1CCC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1=O ZINC000790986183 682718179 /nfs/dbraw/zinc/71/81/79/682718179.db2.gz IMMATBBSALLQTR-CYBMUJFWSA-N 1 1 366.824 2.199 20 10 FECDMO CN(C)c1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)c(C(F)(F)F)c1 ZINC000793170629 682868957 /nfs/dbraw/zinc/86/89/57/682868957.db2.gz SRKRBFSNVMIJLI-UHFFFAOYSA-N 1 1 365.421 2.024 20 10 FECDMO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc(C(F)(F)F)c1O ZINC000798183693 683318918 /nfs/dbraw/zinc/31/89/18/683318918.db2.gz ZJKHOPOFGXCQPE-WDEREUQCSA-N 1 1 366.405 2.486 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000862434944 683591522 /nfs/dbraw/zinc/59/15/22/683591522.db2.gz LANQAAKKEREFEO-NSHDSACASA-N 1 1 360.292 2.399 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000925143013 684528493 /nfs/dbraw/zinc/52/84/93/684528493.db2.gz PGTRJIFZWFOFEI-QZTJIDSGSA-N 1 1 362.543 2.474 20 10 FECDMO CC[N@H+]1CCC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000925289991 684547056 /nfs/dbraw/zinc/54/70/56/684547056.db2.gz AFRPUHABDJAXOT-AWEZNQCLSA-N 1 1 351.834 2.294 20 10 FECDMO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877568190 686411267 /nfs/dbraw/zinc/41/12/67/686411267.db2.gz HDIFVRJXABITMB-SFHVURJKSA-N 1 1 366.527 2.047 20 10 FECDMO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877568190 686411273 /nfs/dbraw/zinc/41/12/73/686411273.db2.gz HDIFVRJXABITMB-SFHVURJKSA-N 1 1 366.527 2.047 20 10 FECDMO CC1(C)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[S@@]1=O ZINC000877570718 686411883 /nfs/dbraw/zinc/41/18/83/686411883.db2.gz QOSTYVOXHZODPX-DEOSSOPVSA-N 1 1 350.528 2.381 20 10 FECDMO CC1(C)CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[S@@]1=O ZINC000877570718 686411885 /nfs/dbraw/zinc/41/18/85/686411885.db2.gz QOSTYVOXHZODPX-DEOSSOPVSA-N 1 1 350.528 2.381 20 10 FECDMO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1c(O)cccc1F ZINC000886512378 688270680 /nfs/dbraw/zinc/27/06/80/688270680.db2.gz DNDAFMYILGVJMO-CYBMUJFWSA-N 1 1 352.431 2.302 20 10 FECDMO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1c(O)cccc1F ZINC000886598784 688281567 /nfs/dbraw/zinc/28/15/67/688281567.db2.gz JZSZHENDEXEUCH-LBPRGKRZSA-N 1 1 353.415 2.148 20 10 FECDMO NC(=O)C1(N2CCCCC2)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000895554037 689734762 /nfs/dbraw/zinc/73/47/62/689734762.db2.gz QBKVHTQPEYTFIH-UHFFFAOYSA-N 1 1 351.878 2.351 20 10 FECDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@](CO)(C(F)(F)F)C3)cc2)CC1 ZINC000895837182 689778297 /nfs/dbraw/zinc/77/82/97/689778297.db2.gz RZYJTBXWXVIVLF-KRWDZBQOSA-N 1 1 357.420 2.185 20 10 FECDMO CN1CCN(c2ccc(C[N@H+]3CC[C@](CO)(C(F)(F)F)C3)cc2)CC1 ZINC000895837182 689778302 /nfs/dbraw/zinc/77/83/02/689778302.db2.gz RZYJTBXWXVIVLF-KRWDZBQOSA-N 1 1 357.420 2.185 20 10 FECDMO COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000896473033 689879487 /nfs/dbraw/zinc/87/94/87/689879487.db2.gz ZJPHRIXYTRRZKK-GDBMZVCRSA-N 1 1 350.434 2.293 20 10 FECDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081765547 542676600 /nfs/dbraw/zinc/67/66/00/542676600.db2.gz SCJILXMLBMUXOX-FPOVZHCZSA-N 1 1 371.525 2.386 20 10 FECDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(C(=O)N(C)C)[nH]3)CC2)cc1 ZINC000092380661 542861073 /nfs/dbraw/zinc/86/10/73/542861073.db2.gz DVKFJWLTUJQBSM-UHFFFAOYSA-N 1 1 356.470 2.437 20 10 FECDMO COc1cccc(C[N@@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)c1O ZINC000093685864 542938097 /nfs/dbraw/zinc/93/80/97/542938097.db2.gz CUZQGNMPUKYSAW-UHFFFAOYSA-N 1 1 364.467 2.120 20 10 FECDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000247435521 549333547 /nfs/dbraw/zinc/33/35/47/549333547.db2.gz PAIFARKDSXDWPD-JMPQJKKYSA-N 1 1 357.498 2.335 20 10 FECDMO CCOc1ccc(O)c(C[N@H+]2CCCN(CC(=O)N(CC)CC)CC2)c1 ZINC000129255019 544100477 /nfs/dbraw/zinc/10/04/77/544100477.db2.gz VFMGWPYOMURIEN-UHFFFAOYSA-N 1 1 363.502 2.167 20 10 FECDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805199449 674325652 /nfs/dbraw/zinc/32/56/52/674325652.db2.gz SZRISMLUZWWGPX-YGRLFVJLSA-N 1 1 368.275 2.437 20 10 FECDMO C[C@H](NCC1([NH+](C)C)CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000168351553 546159123 /nfs/dbraw/zinc/15/91/23/546159123.db2.gz BMCCKIISOCXTLQ-INIZCTEOSA-N 1 1 365.493 2.424 20 10 FECDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000183452165 547662821 /nfs/dbraw/zinc/66/28/21/547662821.db2.gz GWBGGPNTKKTZEP-QRWLVFNGSA-N 1 1 370.449 2.046 20 10 FECDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000183452165 547662826 /nfs/dbraw/zinc/66/28/26/547662826.db2.gz GWBGGPNTKKTZEP-QRWLVFNGSA-N 1 1 370.449 2.046 20 10 FECDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000187515870 548258891 /nfs/dbraw/zinc/25/88/91/548258891.db2.gz SUKSZEOYVLSZCL-QGZVFWFLSA-N 1 1 374.529 2.273 20 10 FECDMO Cn1ccc(N2CCC[C@@H]([NH2+]Cc3c(O)ccc(Cl)c3F)C2=O)n1 ZINC000191218644 548341271 /nfs/dbraw/zinc/34/12/71/548341271.db2.gz NSSGWAACMDGVTJ-GFCCVEGCSA-N 1 1 352.797 2.203 20 10 FECDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000247323992 549319342 /nfs/dbraw/zinc/31/93/42/549319342.db2.gz SYFRBVSCXOUCRD-NFCKIUOLSA-N 1 1 369.509 2.479 20 10 FECDMO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(C)n1-c1ccccc1C ZINC000264691772 549999665 /nfs/dbraw/zinc/99/96/65/549999665.db2.gz MKPHGGBMYHHFFU-SFHVURJKSA-N 1 1 354.498 2.378 20 10 FECDMO COc1cccc(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1O ZINC000266684256 550022872 /nfs/dbraw/zinc/02/28/72/550022872.db2.gz RXZXUIXCMDQGJQ-KBPBESRZSA-N 1 1 365.474 2.088 20 10 FECDMO CC(=O)N1CCC(NC(=O)C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000269479116 550200167 /nfs/dbraw/zinc/20/01/67/550200167.db2.gz KGNAMMKMCQGOHO-UHFFFAOYSA-N 1 1 374.529 2.090 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)Cc1ccncc1)cc2=O ZINC000271053946 550335659 /nfs/dbraw/zinc/33/56/59/550335659.db2.gz YQQHHNQACJHFHQ-UHFFFAOYSA-N 1 1 355.398 2.029 20 10 FECDMO CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3cccc(C)c3O)CC2)n1 ZINC000271809875 550403297 /nfs/dbraw/zinc/40/32/97/550403297.db2.gz LZQUDJMOYRQUCN-HNNXBMFYSA-N 1 1 360.458 2.499 20 10 FECDMO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000283992199 551463549 /nfs/dbraw/zinc/46/35/49/551463549.db2.gz JPHDHOSODPNFSS-APWZRJJASA-N 1 1 374.529 2.090 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000287638402 552028878 /nfs/dbraw/zinc/02/88/78/552028878.db2.gz AEQHMSUKHJTVPP-AYHJJNSGSA-N 1 1 373.497 2.262 20 10 FECDMO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1O)C(F)(F)F ZINC000293667199 552845517 /nfs/dbraw/zinc/84/55/17/552845517.db2.gz QBQJNDOAFAMJHS-ZDUSSCGKSA-N 1 1 367.730 2.458 20 10 FECDMO Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCN3CCO[C@H]2C3)c1O ZINC000294675424 552925669 /nfs/dbraw/zinc/92/56/69/552925669.db2.gz AVQBZGUTVTXTLG-GJZGRUSLSA-N 1 1 355.276 2.368 20 10 FECDMO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3c(F)ccc(O)c3O)nc2)C1 ZINC000295265685 552978201 /nfs/dbraw/zinc/97/82/01/552978201.db2.gz HVAGIPHVTTWWTB-LBPRGKRZSA-N 1 1 360.389 2.025 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+]3CCC[C@H](c4n[nH]c(=O)o4)C3)cc2)CC1 ZINC000295407716 553001568 /nfs/dbraw/zinc/00/15/68/553001568.db2.gz SJTKYKBCNMDUDT-INIZCTEOSA-N 1 1 372.469 2.358 20 10 FECDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](c4n[nH]c(=O)o4)C3)cc2)CC1 ZINC000295407716 553001572 /nfs/dbraw/zinc/00/15/72/553001572.db2.gz SJTKYKBCNMDUDT-INIZCTEOSA-N 1 1 372.469 2.358 20 10 FECDMO CN(C)c1ccc(CN(C(=O)NCC[N@H+]2CCCOCC2)C2CC2)cc1 ZINC000297480143 553297960 /nfs/dbraw/zinc/29/79/60/553297960.db2.gz SQIPWQCQRGUAIZ-UHFFFAOYSA-N 1 1 360.502 2.149 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2cccnc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000364620010 555354295 /nfs/dbraw/zinc/35/42/95/555354295.db2.gz SQTIUIYWKRIEBT-UHFFFAOYSA-N 1 1 355.354 2.180 20 10 FECDMO CN(C)c1ccc(C2=CC[N@@H+]([C@@H]3CCCN(c4ccn(C)n4)C3=O)C2)cc1 ZINC000364969922 555453736 /nfs/dbraw/zinc/45/37/36/555453736.db2.gz SXFROEQFKVLLSJ-LJQANCHMSA-N 1 1 365.481 2.381 20 10 FECDMO CN(C)c1ccc(C2=CC[N@H+]([C@@H]3CCCN(c4ccn(C)n4)C3=O)C2)cc1 ZINC000364969922 555453737 /nfs/dbraw/zinc/45/37/37/555453737.db2.gz SXFROEQFKVLLSJ-LJQANCHMSA-N 1 1 365.481 2.381 20 10 FECDMO COC[C@@H](C)OC[C@H](O)C[N@@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000365739423 555656280 /nfs/dbraw/zinc/65/62/80/555656280.db2.gz VFXHSXLOTAQZEW-VQIMIIECSA-N 1 1 366.502 2.008 20 10 FECDMO C[C@@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cccc(O)c1O ZINC000365758774 555660970 /nfs/dbraw/zinc/66/09/70/555660970.db2.gz PKWIPUBFEFRXFK-HNAYVOBHSA-N 1 1 370.449 2.459 20 10 FECDMO C[C@@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cccc(O)c1O ZINC000365758774 555660972 /nfs/dbraw/zinc/66/09/72/555660972.db2.gz PKWIPUBFEFRXFK-HNAYVOBHSA-N 1 1 370.449 2.459 20 10 FECDMO O=C(N[C@H]1CCc2nc[nH]c2C1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000367861143 556157430 /nfs/dbraw/zinc/15/74/30/556157430.db2.gz YBIHYYIUFMWPTB-JKSUJKDBSA-N 1 1 370.453 2.363 20 10 FECDMO CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(Br)ccc1O)CC2 ZINC000371326602 557147575 /nfs/dbraw/zinc/14/75/75/557147575.db2.gz JKQURNFHSWLPTR-UHFFFAOYSA-N 1 1 364.243 2.290 20 10 FECDMO CCn1nc2c(cc1=O)C[N@H+](Cc1cc(Br)ccc1O)CC2 ZINC000371326602 557147577 /nfs/dbraw/zinc/14/75/77/557147577.db2.gz JKQURNFHSWLPTR-UHFFFAOYSA-N 1 1 364.243 2.290 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371592353 557232618 /nfs/dbraw/zinc/23/26/18/557232618.db2.gz KNAFGYAOGLQVQT-QEMYPZFLSA-N 1 1 355.482 2.279 20 10 FECDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000374258714 557853208 /nfs/dbraw/zinc/85/32/08/557853208.db2.gz WQEFXPAJHWTKPV-SFTDATJTSA-N 1 1 370.497 2.345 20 10 FECDMO CNC(=O)C[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000456499125 560522611 /nfs/dbraw/zinc/52/26/11/560522611.db2.gz HAUPGFVRNFPKQY-HNNXBMFYSA-N 1 1 370.497 2.049 20 10 FECDMO CCc1cc(C[N@@H+]2CCO[C@@H](CNC(=O)NC)C2)c(O)c(C(C)(C)C)c1 ZINC000530103682 562398304 /nfs/dbraw/zinc/39/83/04/562398304.db2.gz LRFJWZPCYUCOQS-INIZCTEOSA-N 1 1 363.502 2.382 20 10 FECDMO CCc1cc(C[N@H+]2CCO[C@@H](CNC(=O)NC)C2)c(O)c(C(C)(C)C)c1 ZINC000530103682 562398305 /nfs/dbraw/zinc/39/83/05/562398305.db2.gz LRFJWZPCYUCOQS-INIZCTEOSA-N 1 1 363.502 2.382 20 10 FECDMO COc1cccc(CNc2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc23)c1O ZINC000826216181 608377208 /nfs/dbraw/zinc/37/72/08/608377208.db2.gz NIJAHEDSHLPHGV-UHFFFAOYSA-N 1 1 362.393 2.472 20 10 FECDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000092218232 670736854 /nfs/dbraw/zinc/73/68/54/670736854.db2.gz LLHMCIBVINQIAI-AWEZNQCLSA-N 1 1 355.276 2.451 20 10 FECDMO Oc1c(Br)cccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000092218232 670736860 /nfs/dbraw/zinc/73/68/60/670736860.db2.gz LLHMCIBVINQIAI-AWEZNQCLSA-N 1 1 355.276 2.451 20 10 FECDMO CCC[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161094244 672295674 /nfs/dbraw/zinc/29/56/74/672295674.db2.gz FGZUGACWGHEFDF-INIZCTEOSA-N 1 1 370.490 2.061 20 10 FECDMO CCC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161094244 672295676 /nfs/dbraw/zinc/29/56/76/672295676.db2.gz FGZUGACWGHEFDF-INIZCTEOSA-N 1 1 370.490 2.061 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)CCCSC)CC2)cc1 ZINC000736073012 673512589 /nfs/dbraw/zinc/51/25/89/673512589.db2.gz ZDLBFNYXEWPVOS-UHFFFAOYSA-N 1 1 351.516 2.077 20 10 FECDMO CSCC[C@@H](O)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827309497 675746922 /nfs/dbraw/zinc/74/69/22/675746922.db2.gz FOLIPQIFLFRUII-GOEBONIOSA-N 1 1 372.918 2.240 20 10 FECDMO COC1CCN(c2ccc(C[N@H+](C)[C@H](C)CS(C)(=O)=O)cc2)CC1 ZINC000827802319 675779987 /nfs/dbraw/zinc/77/99/87/675779987.db2.gz BEOHLNSPOSXUGA-OAHLLOKOSA-N 1 1 354.516 2.167 20 10 FECDMO COC1CCN(c2ccc(C[N@@H+](C)[C@H](C)CS(C)(=O)=O)cc2)CC1 ZINC000827802319 675779990 /nfs/dbraw/zinc/77/99/90/675779990.db2.gz BEOHLNSPOSXUGA-OAHLLOKOSA-N 1 1 354.516 2.167 20 10 FECDMO CC1=NO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000830544626 677046314 /nfs/dbraw/zinc/04/63/14/677046314.db2.gz SBIQNIJSXCYLJS-GDBMZVCRSA-N 1 1 351.834 2.291 20 10 FECDMO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000761076992 680710028 /nfs/dbraw/zinc/71/00/28/680710028.db2.gz OOSCFPHACOLUCE-GJZGRUSLSA-N 1 1 363.845 2.437 20 10 FECDMO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(F)cc1O ZINC000840781429 680842364 /nfs/dbraw/zinc/84/23/64/680842364.db2.gz TTXBFUCIKHJREL-QGZVFWFLSA-N 1 1 352.450 2.453 20 10 FECDMO Cc1cc(O)c(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(Cl)c1 ZINC000840918948 680853182 /nfs/dbraw/zinc/85/31/82/680853182.db2.gz ONYDCTPDRAWEEZ-INIZCTEOSA-N 1 1 351.878 2.092 20 10 FECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000840948351 680855864 /nfs/dbraw/zinc/85/58/64/680855864.db2.gz PNGVOGGQHIMXCI-MRXNPFEDSA-N 1 1 353.532 2.164 20 10 FECDMO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841044541 680860897 /nfs/dbraw/zinc/86/08/97/680860897.db2.gz CPDXXMQALLZFBC-DNVCBOLYSA-N 1 1 361.511 2.204 20 10 FECDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1 ZINC000756366321 680474587 /nfs/dbraw/zinc/47/45/87/680474587.db2.gz GTPCNCFJLOBETA-WMLDXEAASA-N 1 1 350.459 2.186 20 10 FECDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837651642 680630040 /nfs/dbraw/zinc/63/00/40/680630040.db2.gz OCFWVNDKRBAZGE-QGZVFWFLSA-N 1 1 362.543 2.475 20 10 FECDMO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Cl)cc1O ZINC000841749314 680910256 /nfs/dbraw/zinc/91/02/56/680910256.db2.gz CILFXSNPUOHURY-DINDLPBHSA-N 1 1 351.834 2.417 20 10 FECDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058792 680985002 /nfs/dbraw/zinc/98/50/02/680985002.db2.gz YJUVUDDPEKTRSV-PBHICJAKSA-N 1 1 365.905 2.434 20 10 FECDMO Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058792 680985003 /nfs/dbraw/zinc/98/50/03/680985003.db2.gz YJUVUDDPEKTRSV-PBHICJAKSA-N 1 1 365.905 2.434 20 10 FECDMO Cc1cc([O-])c(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000843058792 680985004 /nfs/dbraw/zinc/98/50/04/680985004.db2.gz YJUVUDDPEKTRSV-PBHICJAKSA-N 1 1 365.905 2.434 20 10 FECDMO C[C@@H]1C[N@H+](CCCNC(=O)NCc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000844868215 681089030 /nfs/dbraw/zinc/08/90/30/681089030.db2.gz LRLBAYZWLHKRQR-BETUJISGSA-N 1 1 355.866 2.344 20 10 FECDMO CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000773731587 681153746 /nfs/dbraw/zinc/15/37/46/681153746.db2.gz VWEYLCUCQWOXRU-GOSISDBHSA-N 1 1 353.532 2.437 20 10 FECDMO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775676656 681323698 /nfs/dbraw/zinc/32/36/98/681323698.db2.gz WYPLWDYUOQBFDE-UHFFFAOYSA-N 1 1 357.857 2.171 20 10 FECDMO Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c1O ZINC000775712821 681326928 /nfs/dbraw/zinc/32/69/28/681326928.db2.gz JLLOSHXINFJEAO-LLVKDONJSA-N 1 1 362.289 2.330 20 10 FECDMO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000788670886 682548897 /nfs/dbraw/zinc/54/88/97/682548897.db2.gz KTQZOFICQGPQNK-GHMZBOCLSA-N 1 1 366.405 2.343 20 10 FECDMO CN(C[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1)S(C)(=O)=O ZINC000795651359 683077281 /nfs/dbraw/zinc/07/72/81/683077281.db2.gz RRHXMFJVULRYNV-AWEZNQCLSA-N 1 1 363.483 2.044 20 10 FECDMO CCOC(=O)C1(O)CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862248027 683558395 /nfs/dbraw/zinc/55/83/95/683558395.db2.gz PQYIVXBSOKDODM-UHFFFAOYSA-N 1 1 358.232 2.045 20 10 FECDMO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862326464 683569082 /nfs/dbraw/zinc/56/90/82/683569082.db2.gz OIXVXVJBBKJLBU-NSHDSACASA-N 1 1 354.248 2.191 20 10 FECDMO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)CC12COC2 ZINC000862381763 683580690 /nfs/dbraw/zinc/58/06/90/683580690.db2.gz IUHRJMOBNVHCBH-ZDUSSCGKSA-N 1 1 354.397 2.042 20 10 FECDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)CC12COC2 ZINC000862381763 683580693 /nfs/dbraw/zinc/58/06/93/683580693.db2.gz IUHRJMOBNVHCBH-ZDUSSCGKSA-N 1 1 354.397 2.042 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000872118866 684920717 /nfs/dbraw/zinc/92/07/17/684920717.db2.gz KMTITEQWTROMSP-IKKMQULASA-N 1 1 367.467 2.185 20 10 FECDMO Oc1c(F)cc(Br)cc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000883197038 687586475 /nfs/dbraw/zinc/58/64/75/687586475.db2.gz AVXURBSIZRZXDZ-UHFFFAOYSA-N 1 1 353.195 2.062 20 10 FECDMO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2c(O)cccc2F)cc1 ZINC000886509902 688270198 /nfs/dbraw/zinc/27/01/98/688270198.db2.gz JFAZCDJLDRATNI-GFCCVEGCSA-N 1 1 352.431 2.431 20 10 FECDMO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1c(O)cccc1F ZINC000886554728 688274072 /nfs/dbraw/zinc/27/40/72/688274072.db2.gz BBLHDQGBOBIATP-MNOVXSKESA-N 1 1 359.444 2.078 20 10 FECDMO CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000892030732 689142883 /nfs/dbraw/zinc/14/28/83/689142883.db2.gz CFBHICFPDCSGQD-SFHVURJKSA-N 1 1 362.543 2.475 20 10 FECDMO COc1ccc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c(O)c1OC ZINC000892141359 689156006 /nfs/dbraw/zinc/15/60/06/689156006.db2.gz BJRLMIYDYPNDEC-UHFFFAOYSA-N 1 1 352.475 2.200 20 10 FECDMO COC(=O)[C@@H]1[C@H](C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C1(F)F ZINC000893879796 689422372 /nfs/dbraw/zinc/42/23/72/689422372.db2.gz JKGFMNOHPDZXPP-YCPHGPKFSA-N 1 1 355.381 2.428 20 10 FECDMO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000895551424 689734409 /nfs/dbraw/zinc/73/44/09/689734409.db2.gz QPQPKIHBSFKPHJ-UHFFFAOYSA-N 1 1 369.868 2.491 20 10 FECDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896520117 689884280 /nfs/dbraw/zinc/88/42/80/689884280.db2.gz GXINJTWGRJJUGP-UHFFFAOYSA-N 1 1 363.483 2.022 20 10 FECDMO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC([NH+]2CCOCC2)CC1 ZINC000898798423 690251123 /nfs/dbraw/zinc/25/11/23/690251123.db2.gz DUSPSYCHRJMLIJ-UHFFFAOYSA-N 1 1 362.451 2.249 20 10 FECDMO [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc(Br)ccc1[O-])CC2 ZINC000904392566 691024509 /nfs/dbraw/zinc/02/45/09/691024509.db2.gz SYCJZVQGGOFYIP-CQSZACIVSA-N 1 1 355.276 2.485 20 10 FECDMO CC(C)[N@@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000067592087 541485988 /nfs/dbraw/zinc/48/59/88/541485988.db2.gz MDECIXHZJOYGAC-GASCZTMLSA-N 1 1 351.466 2.396 20 10 FECDMO CC[N@@H+](CCCS(C)(=O)=O)Cc1cc(Br)ccc1O ZINC000076118499 542235265 /nfs/dbraw/zinc/23/52/65/542235265.db2.gz WAZPDJKSUHQGSU-UHFFFAOYSA-N 1 1 350.278 2.411 20 10 FECDMO COc1cccc(C[NH+]2CCN(CCCOCC(F)(F)F)CC2)c1O ZINC000092505448 542867553 /nfs/dbraw/zinc/86/75/53/542867553.db2.gz SHIQESIBHMPKRO-UHFFFAOYSA-N 1 1 362.392 2.487 20 10 FECDMO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+](C)Cc2ccccc2O)cc1 ZINC000109771858 543338709 /nfs/dbraw/zinc/33/87/09/543338709.db2.gz ULNBFRUNPXSUIF-UHFFFAOYSA-N 1 1 355.438 2.230 20 10 FECDMO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109771858 543338712 /nfs/dbraw/zinc/33/87/12/543338712.db2.gz ULNBFRUNPXSUIF-UHFFFAOYSA-N 1 1 355.438 2.230 20 10 FECDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)NCc1cccnc1 ZINC000111232990 543387413 /nfs/dbraw/zinc/38/74/13/543387413.db2.gz NHTDPSZVPCPAOY-SFHVURJKSA-N 1 1 355.438 2.085 20 10 FECDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)NCc1cccnc1 ZINC000111232990 543387414 /nfs/dbraw/zinc/38/74/14/543387414.db2.gz NHTDPSZVPCPAOY-SFHVURJKSA-N 1 1 355.438 2.085 20 10 FECDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000115808141 543587742 /nfs/dbraw/zinc/58/77/42/543587742.db2.gz JWWOOXDATRJLAX-GOSISDBHSA-N 1 1 360.502 2.006 20 10 FECDMO CN(C)c1ccc(CNC(=O)CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123441305 543761977 /nfs/dbraw/zinc/76/19/77/543761977.db2.gz UYWCZIJEILHQCQ-UHFFFAOYSA-N 1 1 360.546 2.423 20 10 FECDMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000123492163 543764929 /nfs/dbraw/zinc/76/49/29/543764929.db2.gz RMWZCORGJRMXAD-MRXNPFEDSA-N 1 1 358.442 2.352 20 10 FECDMO Cc1n[nH]c(C)c1NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000123492163 543764931 /nfs/dbraw/zinc/76/49/31/543764931.db2.gz RMWZCORGJRMXAD-MRXNPFEDSA-N 1 1 358.442 2.352 20 10 FECDMO Cc1[nH+]ccn1CCNC(=O)NCc1cc(Br)ccc1O ZINC000805184870 674324729 /nfs/dbraw/zinc/32/47/29/674324729.db2.gz ALKOYLWTIGJFHG-UHFFFAOYSA-N 1 1 353.220 2.159 20 10 FECDMO C[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)N1CCN(C)CC1 ZINC000185362842 547975241 /nfs/dbraw/zinc/97/52/41/547975241.db2.gz SWUMTGPEZXIUPE-STQMWFEESA-N 1 1 356.308 2.441 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000490345208 561431529 /nfs/dbraw/zinc/43/15/29/561431529.db2.gz QXQYIMSZHHTVTQ-NVXWUHKLSA-N 1 1 358.486 2.083 20 10 FECDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OC ZINC000271891960 550409180 /nfs/dbraw/zinc/40/91/80/550409180.db2.gz XHAOSQPQSQYRHN-DYVFJYSZSA-N 1 1 357.472 2.197 20 10 FECDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000273407031 550497389 /nfs/dbraw/zinc/49/73/89/550497389.db2.gz OQMSJTNUWFQPKX-UKRRQHHQSA-N 1 1 356.426 2.288 20 10 FECDMO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278104148 550749485 /nfs/dbraw/zinc/74/94/85/550749485.db2.gz AIXQVCOHESUNQN-VXMWWYGOSA-N 1 1 356.444 2.478 20 10 FECDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278143726 550754102 /nfs/dbraw/zinc/75/41/02/550754102.db2.gz BJEYLRAKHNKVCF-ZWNOBZJWSA-N 1 1 350.293 2.197 20 10 FECDMO COc1c(O)c(C[NH2+]C[C@H](O)COc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000278833483 550826962 /nfs/dbraw/zinc/82/69/62/550826962.db2.gz IWTDUSMRUOOGCP-AWEZNQCLSA-N 1 1 362.382 2.147 20 10 FECDMO CN(C)c1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1F ZINC000282792543 551270953 /nfs/dbraw/zinc/27/09/53/551270953.db2.gz RIAIWRUTBMVCCH-UHFFFAOYSA-N 1 1 369.506 2.282 20 10 FECDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000289570207 552342334 /nfs/dbraw/zinc/34/23/34/552342334.db2.gz JLXYLMKHJGRLSH-DYVFJYSZSA-N 1 1 351.834 2.307 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292860994 552765776 /nfs/dbraw/zinc/76/57/76/552765776.db2.gz VHBALTFYVCPTJR-GOSISDBHSA-N 1 1 351.516 2.143 20 10 FECDMO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)NC(=O)NC1=O ZINC000294500824 552911230 /nfs/dbraw/zinc/91/12/30/552911230.db2.gz BNGSIWHBLNFSOD-QLJPJBMISA-N 1 1 355.797 2.137 20 10 FECDMO C[C@]1(C[C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)NC(=O)NC1=O ZINC000294500824 552911231 /nfs/dbraw/zinc/91/12/31/552911231.db2.gz BNGSIWHBLNFSOD-QLJPJBMISA-N 1 1 355.797 2.137 20 10 FECDMO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)NC(=O)NC1=O ZINC000294500771 552911278 /nfs/dbraw/zinc/91/12/78/552911278.db2.gz BNGSIWHBLNFSOD-MGPLVRAMSA-N 1 1 355.797 2.137 20 10 FECDMO C[C@]1(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)NC(=O)NC1=O ZINC000294500771 552911279 /nfs/dbraw/zinc/91/12/79/552911279.db2.gz BNGSIWHBLNFSOD-MGPLVRAMSA-N 1 1 355.797 2.137 20 10 FECDMO CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000294861490 552939732 /nfs/dbraw/zinc/93/97/32/552939732.db2.gz TWUYTXXODHUJMW-XMMPIXPASA-N 1 1 352.500 2.029 20 10 FECDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)cc2)CC1 ZINC000295348392 552991463 /nfs/dbraw/zinc/99/14/63/552991463.db2.gz NQKOEOCETZUHQV-APWZRJJASA-N 1 1 359.470 2.232 20 10 FECDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1([NH+](C)C)CCOc2ccccc21 ZINC000364679614 555372621 /nfs/dbraw/zinc/37/26/21/555372621.db2.gz UPZKONGYJIHIED-LHSJRXKWSA-N 1 1 370.449 2.385 20 10 FECDMO COc1c(O)c(C[NH2+]Cc2ccnc(-n3ccnc3)c2)ccc1[N+](=O)[O-] ZINC000365819676 555674834 /nfs/dbraw/zinc/67/48/34/555674834.db2.gz KBIYUXNHYGZJGT-UHFFFAOYSA-N 1 1 355.354 2.180 20 10 FECDMO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cccc(F)c2O)C1 ZINC000367689956 556115188 /nfs/dbraw/zinc/11/51/88/556115188.db2.gz SRWFMMUPKKICFY-GFCCVEGCSA-N 1 1 370.471 2.393 20 10 FECDMO CCc1nc(CN2C[C@@H]3C[N@@H+]([C@H](C)c4cc(OC)ccc4O)C[C@@H]3C2)no1 ZINC000368017600 556196276 /nfs/dbraw/zinc/19/62/76/556196276.db2.gz HVUZCFXKTQLQDE-KFWWJZLASA-N 1 1 372.469 2.471 20 10 FECDMO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000369026888 556480391 /nfs/dbraw/zinc/48/03/91/556480391.db2.gz JRPIOGGJTGVAJB-RTBURBONSA-N 1 1 360.502 2.195 20 10 FECDMO CN(C)c1ccc(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)cc1 ZINC000374698783 557918452 /nfs/dbraw/zinc/91/84/52/557918452.db2.gz RLXWMOMIZRQSMN-LJQANCHMSA-N 1 1 364.449 2.406 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCN3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)cc1 ZINC000374698783 557918454 /nfs/dbraw/zinc/91/84/54/557918454.db2.gz RLXWMOMIZRQSMN-LJQANCHMSA-N 1 1 364.449 2.406 20 10 FECDMO COc1cccc(C[N@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1O ZINC000377701567 558400839 /nfs/dbraw/zinc/40/08/39/558400839.db2.gz UBUSTSPCLCYTAJ-HOTGVXAUSA-N 1 1 364.442 2.270 20 10 FECDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000444249519 560106953 /nfs/dbraw/zinc/10/69/53/560106953.db2.gz XBWOFBMDDLUEAY-HNNXBMFYSA-N 1 1 370.497 2.001 20 10 FECDMO COC[C@@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)OC ZINC000444363818 560111787 /nfs/dbraw/zinc/11/17/87/560111787.db2.gz KLESIRLUHAXKCW-MRXNPFEDSA-N 1 1 373.497 2.185 20 10 FECDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000809705769 674506299 /nfs/dbraw/zinc/50/62/99/674506299.db2.gz ZFBSCYAYNSYLEM-SJCJKPOMSA-N 1 1 367.833 2.007 20 10 FECDMO Cc1cc(Br)c([O-])c(CN(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000809741107 674508043 /nfs/dbraw/zinc/50/80/43/674508043.db2.gz IYEMWQZKENNFGW-UHFFFAOYSA-N 1 1 358.324 2.388 20 10 FECDMO O=C([C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1)N1CCOCC1 ZINC000816483273 675058677 /nfs/dbraw/zinc/05/86/77/675058677.db2.gz MLQPGMLXVIOPDF-LBPRGKRZSA-N 1 1 356.825 2.256 20 10 FECDMO O=C([C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1)N1CCOCC1 ZINC000816483273 675058679 /nfs/dbraw/zinc/05/86/79/675058679.db2.gz MLQPGMLXVIOPDF-LBPRGKRZSA-N 1 1 356.825 2.256 20 10 FECDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000816539770 675063956 /nfs/dbraw/zinc/06/39/56/675063956.db2.gz SFYMGLUUWFMOJW-NSHDSACASA-N 1 1 369.776 2.443 20 10 FECDMO C[N@@H+](CCCNC(=O)C(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000091530996 670728653 /nfs/dbraw/zinc/72/86/53/670728653.db2.gz RENMVGFCYFBELJ-UHFFFAOYSA-N 1 1 359.392 2.024 20 10 FECDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000093531369 670752932 /nfs/dbraw/zinc/75/29/32/670752932.db2.gz FTSZUPSKPOOKMM-QGZVFWFLSA-N 1 1 353.532 2.437 20 10 FECDMO CCN(CC)C(=O)C[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000155096039 672227511 /nfs/dbraw/zinc/22/75/11/672227511.db2.gz KNTCSZUAEFOEFZ-UHFFFAOYSA-N 1 1 359.264 2.464 20 10 FECDMO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000155096039 672227515 /nfs/dbraw/zinc/22/75/15/672227515.db2.gz KNTCSZUAEFOEFZ-UHFFFAOYSA-N 1 1 359.264 2.464 20 10 FECDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c1O ZINC000177283500 672381728 /nfs/dbraw/zinc/38/17/28/672381728.db2.gz DEEBXJUBORKQRS-KRWDZBQOSA-N 1 1 350.434 2.421 20 10 FECDMO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000181562727 672427925 /nfs/dbraw/zinc/42/79/25/672427925.db2.gz QFTAAMYVXJUSMI-HNNXBMFYSA-N 1 1 357.495 2.186 20 10 FECDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N(CC)CC)c(F)c2)C1 ZINC000181562727 672427927 /nfs/dbraw/zinc/42/79/27/672427927.db2.gz QFTAAMYVXJUSMI-HNNXBMFYSA-N 1 1 357.495 2.186 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245812095 672825004 /nfs/dbraw/zinc/82/50/04/672825004.db2.gz ZOWGFLZOVOBMSE-RBUKOAKNSA-N 1 1 366.527 2.311 20 10 FECDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3=CC(=O)CS3)cc2)C1 ZINC000732283577 673362044 /nfs/dbraw/zinc/36/20/44/673362044.db2.gz OVEXNSBRJIIBPS-ZDUSSCGKSA-N 1 1 359.451 2.403 20 10 FECDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000733301626 673407788 /nfs/dbraw/zinc/40/77/88/673407788.db2.gz VNFMXCZZBOVVNM-HNNXBMFYSA-N 1 1 364.467 2.068 20 10 FECDMO Oc1cc(Br)ccc1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000824601697 675613049 /nfs/dbraw/zinc/61/30/49/675613049.db2.gz MCXUKOJOPRTCGV-HNNXBMFYSA-N 1 1 355.276 2.451 20 10 FECDMO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000825278775 675644820 /nfs/dbraw/zinc/64/48/20/675644820.db2.gz IRWUQQYIVPFNFM-CYBMUJFWSA-N 1 1 356.264 2.390 20 10 FECDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000825278775 675644821 /nfs/dbraw/zinc/64/48/21/675644821.db2.gz IRWUQQYIVPFNFM-CYBMUJFWSA-N 1 1 356.264 2.390 20 10 FECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1O ZINC000826845338 675709831 /nfs/dbraw/zinc/70/98/31/675709831.db2.gz JARVFBCKJURKKE-LLVKDONJSA-N 1 1 367.247 2.277 20 10 FECDMO Cc1cc(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)ccc1N(C)C ZINC000830462289 677041252 /nfs/dbraw/zinc/04/12/52/677041252.db2.gz QBJOIHXROBRESZ-INIZCTEOSA-N 1 1 351.491 2.378 20 10 FECDMO CC1(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000830627261 677051454 /nfs/dbraw/zinc/05/14/54/677051454.db2.gz HEUKZPUFCCXNFA-CQSZACIVSA-N 1 1 358.891 2.482 20 10 FECDMO CC1(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000830627261 677051457 /nfs/dbraw/zinc/05/14/57/677051457.db2.gz HEUKZPUFCCXNFA-CQSZACIVSA-N 1 1 358.891 2.482 20 10 FECDMO O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H]1CC[N@H+](C2CC2)C1 ZINC000761088424 680710380 /nfs/dbraw/zinc/71/03/80/680710380.db2.gz SJKQPLCJXMLZSS-LBPRGKRZSA-N 1 1 363.845 2.294 20 10 FECDMO COc1cc(Br)cc(C[NH+]2CC(c3nc(C)no3)C2)c1O ZINC000839130810 680740261 /nfs/dbraw/zinc/74/02/61/680740261.db2.gz HPOKTGWUXTVRIR-UHFFFAOYSA-N 1 1 354.204 2.454 20 10 FECDMO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000834877415 680279243 /nfs/dbraw/zinc/27/92/43/680279243.db2.gz DDGZECNCORUHFR-UWVGGRQHSA-N 1 1 354.394 2.389 20 10 FECDMO C[C@H](c1nccs1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000767483144 680913632 /nfs/dbraw/zinc/91/36/32/680913632.db2.gz PDMFUEFUBMZANS-MLGOLLRUSA-N 1 1 361.467 2.153 20 10 FECDMO Cn1nccc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768083683 680937516 /nfs/dbraw/zinc/93/75/16/680937516.db2.gz YQWZWYDWWXGXEV-OAHLLOKOSA-N 1 1 362.861 2.102 20 10 FECDMO COc1c(O)c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000775036134 681269744 /nfs/dbraw/zinc/26/97/44/681269744.db2.gz BVWGJSGRVUNMRA-CYBMUJFWSA-N 1 1 352.387 2.127 20 10 FECDMO Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000847591594 681400448 /nfs/dbraw/zinc/40/04/48/681400448.db2.gz XINZRLZJGZDXFZ-CYBMUJFWSA-N 1 1 364.833 2.177 20 10 FECDMO CC(=O)OC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000779813545 681755605 /nfs/dbraw/zinc/75/56/05/681755605.db2.gz TYFHBDPIWVYMIL-HNNXBMFYSA-N 1 1 368.861 2.468 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](CCF)C1)cc2=O ZINC000852533007 682296812 /nfs/dbraw/zinc/29/68/12/682296812.db2.gz ONDIPBZZIOYPFE-GFCCVEGCSA-N 1 1 350.394 2.183 20 10 FECDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000853519474 682426859 /nfs/dbraw/zinc/42/68/59/682426859.db2.gz CSAZQASWWUDZEV-HNNXBMFYSA-N 1 1 352.431 2.165 20 10 FECDMO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)c(C(F)(F)F)c1 ZINC000792823187 682842662 /nfs/dbraw/zinc/84/26/62/682842662.db2.gz QLMNNHADIZBWAU-ZDUSSCGKSA-N 1 1 365.421 2.024 20 10 FECDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)c(C(F)(F)F)c1 ZINC000792823187 682842665 /nfs/dbraw/zinc/84/26/65/682842665.db2.gz QLMNNHADIZBWAU-ZDUSSCGKSA-N 1 1 365.421 2.024 20 10 FECDMO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(N2CCOCC2)cc1Cl ZINC000858434865 682968093 /nfs/dbraw/zinc/96/80/93/682968093.db2.gz RKEGXKAHIOBWPI-GUYCJALGSA-N 1 1 364.877 2.294 20 10 FECDMO CC[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(F)cc1O ZINC000858466422 682971152 /nfs/dbraw/zinc/97/11/52/682971152.db2.gz BCCYOMJVUBFKGR-LPHOPBHVSA-N 1 1 352.450 2.188 20 10 FECDMO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000862475548 683594773 /nfs/dbraw/zinc/59/47/73/683594773.db2.gz OFUCNTBRWPSOHQ-OAHLLOKOSA-N 1 1 358.232 2.227 20 10 FECDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000862475548 683594779 /nfs/dbraw/zinc/59/47/79/683594779.db2.gz OFUCNTBRWPSOHQ-OAHLLOKOSA-N 1 1 358.232 2.227 20 10 FECDMO CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315700 684261930 /nfs/dbraw/zinc/26/19/30/684261930.db2.gz YEMOATBOOSECJM-AWEZNQCLSA-N 1 1 355.276 2.355 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315700 684261935 /nfs/dbraw/zinc/26/19/35/684261935.db2.gz YEMOATBOOSECJM-AWEZNQCLSA-N 1 1 355.276 2.355 20 10 FECDMO COc1ccc(C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)c(O)c1OC ZINC000892115281 689152624 /nfs/dbraw/zinc/15/26/24/689152624.db2.gz NNVKZXCQEXASKQ-LBPRGKRZSA-N 1 1 351.472 2.018 20 10 FECDMO O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000896684137 689916248 /nfs/dbraw/zinc/91/62/48/689916248.db2.gz PEYHOIWPKSUCLC-GFCCVEGCSA-N 1 1 362.451 2.107 20 10 FECDMO CN1CCN(c2ccc(CN3CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C3)cc2)CC1 ZINC000903983061 690992105 /nfs/dbraw/zinc/99/21/05/690992105.db2.gz BFBHRRDJRGFNFY-SJORKVTESA-N 1 1 356.436 2.150 20 10 FECDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000025227859 539752176 /nfs/dbraw/zinc/75/21/76/539752176.db2.gz VIEVYHQUPPMWRG-UHFFFAOYSA-N 1 1 368.481 2.034 20 10 FECDMO COC(=O)c1ccsc1N1CC[C@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000072517876 541824936 /nfs/dbraw/zinc/82/49/36/541824936.db2.gz KKCGVDSLYJJKGQ-AWEZNQCLSA-N 1 1 360.435 2.478 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000827000209 675722323 /nfs/dbraw/zinc/72/23/23/675722323.db2.gz IJEQRZKOQSQBPJ-GFCCVEGCSA-N 1 1 355.232 2.490 20 10 FECDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000827000209 675722325 /nfs/dbraw/zinc/72/23/25/675722325.db2.gz IJEQRZKOQSQBPJ-GFCCVEGCSA-N 1 1 355.232 2.490 20 10 FECDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092011060 542837961 /nfs/dbraw/zinc/83/79/61/542837961.db2.gz XJGKEKJYLPDZAY-AZUAARDMSA-N 1 1 370.497 2.202 20 10 FECDMO CC(C)[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)[NH+]1CCOCC1 ZINC000125233494 543868839 /nfs/dbraw/zinc/86/88/39/543868839.db2.gz JXHLAQQVIRFYRR-HXUWFJFHSA-N 1 1 372.513 2.219 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H](C)c1cccnc1)cc2=O ZINC000127877817 544018693 /nfs/dbraw/zinc/01/86/93/544018693.db2.gz CCFFMSOGNPXXNJ-LBPRGKRZSA-N 1 1 355.398 2.200 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@@H](C)c1cccnc1)cc2=O ZINC000127877817 544018696 /nfs/dbraw/zinc/01/86/96/544018696.db2.gz CCFFMSOGNPXXNJ-LBPRGKRZSA-N 1 1 355.398 2.200 20 10 FECDMO C[C@@H]1CCC[N@H+]1C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000134753110 544320797 /nfs/dbraw/zinc/32/07/97/544320797.db2.gz DFRHUIZLXZENOQ-QGZVFWFLSA-N 1 1 358.530 2.318 20 10 FECDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000157064202 545696544 /nfs/dbraw/zinc/69/65/44/545696544.db2.gz YMGVMISZCSRLBX-OAHLLOKOSA-N 1 1 362.470 2.404 20 10 FECDMO Cc1nn(C)cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158089722 545821336 /nfs/dbraw/zinc/82/13/36/545821336.db2.gz UVXRICHFEUXYCN-OAHLLOKOSA-N 1 1 362.861 2.482 20 10 FECDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000159408812 545950611 /nfs/dbraw/zinc/95/06/11/545950611.db2.gz RBPSTGAJAQDGDT-OAHLLOKOSA-N 1 1 356.488 2.085 20 10 FECDMO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000175786198 546349407 /nfs/dbraw/zinc/34/94/07/546349407.db2.gz TUCQLPJYENZXTP-KRWDZBQOSA-N 1 1 362.518 2.197 20 10 FECDMO C[C@@H]([NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1)c1ccc(F)cc1O ZINC000185339747 547972670 /nfs/dbraw/zinc/97/26/70/547972670.db2.gz YNTNVILJAGVJAP-CYBMUJFWSA-N 1 1 372.444 2.479 20 10 FECDMO CCOC(=O)c1nn(C)cc1C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000186194649 548097293 /nfs/dbraw/zinc/09/72/93/548097293.db2.gz FCWHJXPKNIHOKN-UHFFFAOYSA-N 1 1 372.469 2.318 20 10 FECDMO CCOC(=O)c1nn(C)cc1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000186194649 548097297 /nfs/dbraw/zinc/09/72/97/548097297.db2.gz FCWHJXPKNIHOKN-UHFFFAOYSA-N 1 1 372.469 2.318 20 10 FECDMO CC1CCN(c2ccc(CNC(=O)NCC[N@H+]3CCCOCC3)cc2)CC1 ZINC000187161363 548252123 /nfs/dbraw/zinc/25/21/23/548252123.db2.gz NZCKZBFDDKGTGI-UHFFFAOYSA-N 1 1 374.529 2.444 20 10 FECDMO CCOC1CC(C[NH2+][C@@H](C)c2ccc(F)cc2O)(N2CCOCC2)C1 ZINC000193407848 548387001 /nfs/dbraw/zinc/38/70/01/548387001.db2.gz MTQPNNSQUPUHBR-ASFAAARLSA-N 1 1 352.450 2.452 20 10 FECDMO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)c(C)n1-c1ccccn1 ZINC000261751324 549751837 /nfs/dbraw/zinc/75/18/37/549751837.db2.gz PGQZUBWPRWDUGL-KRWDZBQOSA-N 1 1 364.453 2.009 20 10 FECDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000264679149 549999551 /nfs/dbraw/zinc/99/95/51/549999551.db2.gz YZUNWYPIGCOAIW-XXGTVTCJSA-N 1 1 355.482 2.279 20 10 FECDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000266665200 550022941 /nfs/dbraw/zinc/02/29/41/550022941.db2.gz JHJIFMJEOVMASF-UHFFFAOYSA-N 1 1 362.518 2.395 20 10 FECDMO CN(C)c1ccc(C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C2CC2)cc1 ZINC000267928582 550035812 /nfs/dbraw/zinc/03/58/12/550035812.db2.gz KWSXMYPTEVQTAP-KRWDZBQOSA-N 1 1 365.543 2.389 20 10 FECDMO COc1cc(NC(=O)C[N@H+](C)Cc2cccc(OC)c2O)cc(OC)c1 ZINC000271258762 550358845 /nfs/dbraw/zinc/35/88/45/550358845.db2.gz KJFLCZROYOFGHC-UHFFFAOYSA-N 1 1 360.410 2.489 20 10 FECDMO COc1cc(NC(=O)C[N@@H+](C)Cc2cccc(OC)c2O)cc(OC)c1 ZINC000271258762 550358847 /nfs/dbraw/zinc/35/88/47/550358847.db2.gz KJFLCZROYOFGHC-UHFFFAOYSA-N 1 1 360.410 2.489 20 10 FECDMO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@@H](CCOC)c1ccco1)cc2=O ZINC000273281410 550493008 /nfs/dbraw/zinc/49/30/08/550493008.db2.gz OAJCHVRYODGXIU-AWEZNQCLSA-N 1 1 374.397 2.072 20 10 FECDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cccc(O)c1O ZINC000277412805 550667363 /nfs/dbraw/zinc/66/73/63/550667363.db2.gz UCJGOVFRFOYTNK-INIZCTEOSA-N 1 1 356.422 2.119 20 10 FECDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1O)CC2 ZINC000278272239 550767565 /nfs/dbraw/zinc/76/75/65/550767565.db2.gz RUHSQYVFPPWIOA-HUUCEWRRSA-N 1 1 366.414 2.061 20 10 FECDMO CC(=O)c1cc(F)cc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1O ZINC000278410922 550782780 /nfs/dbraw/zinc/78/27/80/550782780.db2.gz HNLDTMXOVLYFEW-ZDUSSCGKSA-N 1 1 350.434 2.419 20 10 FECDMO COc1c(O)c(C[NH2+]C2CCN(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000278614169 550804623 /nfs/dbraw/zinc/80/46/23/550804623.db2.gz FCAHZEFEJWAPPP-UHFFFAOYSA-N 1 1 372.425 2.458 20 10 FECDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000280147960 550965256 /nfs/dbraw/zinc/96/52/56/550965256.db2.gz XABBKNOXVHKECX-LLVKDONJSA-N 1 1 362.289 2.411 20 10 FECDMO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280972994 551050690 /nfs/dbraw/zinc/05/06/90/551050690.db2.gz TYBJILSFEVMWDG-CQSZACIVSA-N 1 1 358.452 2.497 20 10 FECDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](C)C(F)(F)F)CC2)cc1 ZINC000287137306 551968411 /nfs/dbraw/zinc/96/84/11/551968411.db2.gz HFMMXKRDHSGHNB-CYBMUJFWSA-N 1 1 374.407 2.067 20 10 FECDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000290247064 552447786 /nfs/dbraw/zinc/44/77/86/552447786.db2.gz VGVJDSQPENCAGY-LBPRGKRZSA-N 1 1 353.375 2.020 20 10 FECDMO Cn1ccc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2=O)n1 ZINC000293686507 552847298 /nfs/dbraw/zinc/84/72/98/552847298.db2.gz RWLIKLHSPZLLSY-CYBMUJFWSA-N 1 1 352.797 2.203 20 10 FECDMO O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363706154 555168129 /nfs/dbraw/zinc/16/81/29/555168129.db2.gz AEPZZRWNKALUGG-SWLSCSKDSA-N 1 1 366.845 2.079 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)cc1 ZINC000364854874 555416107 /nfs/dbraw/zinc/41/61/07/555416107.db2.gz LIWBLFPULAMPKF-UHFFFAOYSA-N 1 1 369.513 2.450 20 10 FECDMO CN(C)c1ccc(CN(C)C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)cc1 ZINC000364854874 555416113 /nfs/dbraw/zinc/41/61/13/555416113.db2.gz LIWBLFPULAMPKF-UHFFFAOYSA-N 1 1 369.513 2.450 20 10 FECDMO CCOC(=O)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000367176126 556002897 /nfs/dbraw/zinc/00/28/97/556002897.db2.gz GUNFFHDVESWYBW-AWEZNQCLSA-N 1 1 354.834 2.079 20 10 FECDMO Cc1c([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(N(C)C)cc2)cnn1C ZINC000367330322 556019908 /nfs/dbraw/zinc/01/99/08/556019908.db2.gz HPAHOWPBONEOLV-IBGZPJMESA-N 1 1 355.486 2.248 20 10 FECDMO Cc1c([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(N(C)C)cc2)cnn1C ZINC000367330322 556019910 /nfs/dbraw/zinc/01/99/10/556019910.db2.gz HPAHOWPBONEOLV-IBGZPJMESA-N 1 1 355.486 2.248 20 10 FECDMO O=C(N[C@H]1CCc2nc[nH]c2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000367861141 556157505 /nfs/dbraw/zinc/15/75/05/556157505.db2.gz YBIHYYIUFMWPTB-HOTGVXAUSA-N 1 1 370.453 2.363 20 10 FECDMO COc1ccc(O)c(C[NH2+]Cc2nnc3n2C[C@@H](C(F)(F)F)CC3)c1 ZINC000371664798 557256443 /nfs/dbraw/zinc/25/64/43/557256443.db2.gz JGSPFCZRCUGRGZ-NSHDSACASA-N 1 1 356.348 2.407 20 10 FECDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000373464133 557698770 /nfs/dbraw/zinc/69/87/70/557698770.db2.gz CNGJJBBTPPPKGS-WMLDXEAASA-N 1 1 355.438 2.205 20 10 FECDMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000373464133 557698773 /nfs/dbraw/zinc/69/87/73/557698773.db2.gz CNGJJBBTPPPKGS-WMLDXEAASA-N 1 1 355.438 2.205 20 10 FECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377621718 558379017 /nfs/dbraw/zinc/37/90/17/558379017.db2.gz GHMHLZSHYJSSFA-JOCHJYFZSA-N 1 1 372.557 2.124 20 10 FECDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000527162639 562278532 /nfs/dbraw/zinc/27/85/32/562278532.db2.gz WTHGFPLOGHIBNQ-HNNXBMFYSA-N 1 1 358.486 2.254 20 10 FECDMO COc1ccc(N2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)cc1 ZINC000821832068 606959821 /nfs/dbraw/zinc/95/98/21/606959821.db2.gz YGLFLIPBMKUBTG-UHFFFAOYSA-N 1 1 368.416 2.337 20 10 FECDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2cc(Cl)ccc2O)C1 ZINC000092964617 670746946 /nfs/dbraw/zinc/74/69/46/670746946.db2.gz GYAYXPTZQKWUQN-ZDUSSCGKSA-N 1 1 368.861 2.279 20 10 FECDMO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2cc(Cl)ccc2O)C1 ZINC000092964617 670746949 /nfs/dbraw/zinc/74/69/49/670746949.db2.gz GYAYXPTZQKWUQN-ZDUSSCGKSA-N 1 1 368.861 2.279 20 10 FECDMO C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000108557715 670830174 /nfs/dbraw/zinc/83/01/74/670830174.db2.gz WMHAKONXZHRSDJ-QGZVFWFLSA-N 1 1 362.543 2.381 20 10 FECDMO C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000120164392 671918984 /nfs/dbraw/zinc/91/89/84/671918984.db2.gz FNVCRLIMAFCSFX-CRAIPNDOSA-N 1 1 363.527 2.138 20 10 FECDMO COc1cc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000178847324 672395832 /nfs/dbraw/zinc/39/58/32/672395832.db2.gz LNBIJUDLBHKEHC-UHFFFAOYSA-N 1 1 370.515 2.166 20 10 FECDMO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000180204904 672410619 /nfs/dbraw/zinc/41/06/19/672410619.db2.gz ZUUPTTYOGDYKJH-UHFFFAOYSA-N 1 1 352.431 2.250 20 10 FECDMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2cc(F)ccc2O)cc1 ZINC000180204904 672410621 /nfs/dbraw/zinc/41/06/21/672410621.db2.gz ZUUPTTYOGDYKJH-UHFFFAOYSA-N 1 1 352.431 2.250 20 10 FECDMO CN(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000728688819 673209211 /nfs/dbraw/zinc/20/92/11/673209211.db2.gz ZPTJBWCCTPYMJB-UHFFFAOYSA-N 1 1 353.532 2.390 20 10 FECDMO C[N@H+]1CC[C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000729532387 673238543 /nfs/dbraw/zinc/23/85/43/673238543.db2.gz YPUWGRLCOKKINN-ZDUSSCGKSA-N 1 1 353.413 2.325 20 10 FECDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000824242626 675591343 /nfs/dbraw/zinc/59/13/43/675591343.db2.gz RPZHBUNJRCECOX-KRWDZBQOSA-N 1 1 365.524 2.247 20 10 FECDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)nn1 ZINC000825514664 675657000 /nfs/dbraw/zinc/65/70/00/675657000.db2.gz ROWOARVCLZACKQ-GFCCVEGCSA-N 1 1 350.806 2.179 20 10 FECDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(Br)cc2O)CC12COC2 ZINC000826029695 675678711 /nfs/dbraw/zinc/67/87/11/675678711.db2.gz JCBMQRNXEYDOQQ-CYBMUJFWSA-N 1 1 370.243 2.166 20 10 FECDMO Cc1cc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)ccc1N1CCCCC1 ZINC000827641033 675770168 /nfs/dbraw/zinc/77/01/68/675770168.db2.gz GFIHCJBEKAXUCS-SFHVURJKSA-N 1 1 365.543 2.499 20 10 FECDMO O=C(NCc1cccc(Br)c1O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000764788705 680821035 /nfs/dbraw/zinc/82/10/35/680821035.db2.gz BOFPAGCNJKSYIC-LLVKDONJSA-N 1 1 354.248 2.191 20 10 FECDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000840940857 680855371 /nfs/dbraw/zinc/85/53/71/680855371.db2.gz MUFUUIKMXXSLGR-GOSISDBHSA-N 1 1 351.516 2.061 20 10 FECDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000840950822 680856385 /nfs/dbraw/zinc/85/63/85/680856385.db2.gz OSHQXNAGZRLSSX-KRWDZBQOSA-N 1 1 351.491 2.378 20 10 FECDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000749971504 680092430 /nfs/dbraw/zinc/09/24/30/680092430.db2.gz JVZVWTHSUXQPTI-AWEZNQCLSA-N 1 1 364.467 2.068 20 10 FECDMO Cc1cc(Br)c(O)c(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c1 ZINC000841891690 680916437 /nfs/dbraw/zinc/91/64/37/680916437.db2.gz OOUGJELJIHGASS-STQMWFEESA-N 1 1 357.292 2.350 20 10 FECDMO C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(C(F)(F)F)c1O ZINC000846191927 681198023 /nfs/dbraw/zinc/19/80/23/681198023.db2.gz ZWAWVABJBBZEKY-VHSXEESVSA-N 1 1 352.378 2.096 20 10 FECDMO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cccc(Br)c2O)C1 ZINC000775204518 681284604 /nfs/dbraw/zinc/28/46/04/681284604.db2.gz ORJWNAWUZBHYKA-JSGCOSHPSA-N 1 1 374.275 2.001 20 10 FECDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000775204518 681284608 /nfs/dbraw/zinc/28/46/08/681284608.db2.gz ORJWNAWUZBHYKA-JSGCOSHPSA-N 1 1 374.275 2.001 20 10 FECDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000777221086 681473663 /nfs/dbraw/zinc/47/36/63/681473663.db2.gz ZSNCLXQNMDUJEJ-CQSZACIVSA-N 1 1 351.466 2.397 20 10 FECDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000777221086 681473665 /nfs/dbraw/zinc/47/36/65/681473665.db2.gz ZSNCLXQNMDUJEJ-CQSZACIVSA-N 1 1 351.466 2.397 20 10 FECDMO COc1cc(O)c(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1OC ZINC000848930918 681643796 /nfs/dbraw/zinc/64/37/96/681643796.db2.gz YTTUMFVKBBZGNK-INIZCTEOSA-N 1 1 350.459 2.096 20 10 FECDMO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000858587054 682982032 /nfs/dbraw/zinc/98/20/32/682982032.db2.gz NDDFMRATVUXSEM-QWHCGFSZSA-N 1 1 355.866 2.236 20 10 FECDMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000795656284 683077984 /nfs/dbraw/zinc/07/79/84/683077984.db2.gz ILDFTAUQWAYQBP-KRWDZBQOSA-N 1 1 352.500 2.127 20 10 FECDMO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000796512052 683167131 /nfs/dbraw/zinc/16/71/31/683167131.db2.gz CIVDCFNEGRNJTR-JTQLQIEISA-N 1 1 350.843 2.088 20 10 FECDMO COc1ccc(N2CCN(C(=O)C[NH2+][C@@H](C)c3ccns3)CC2)cc1 ZINC000860051316 683195691 /nfs/dbraw/zinc/19/56/91/683195691.db2.gz HKMXVRAIHGMLNS-AWEZNQCLSA-N 1 1 360.483 2.151 20 10 FECDMO C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Br)c(F)cc1O ZINC000927137967 683211891 /nfs/dbraw/zinc/21/18/91/683211891.db2.gz YQIJMAIBBNTRIM-RMLUDKJBSA-N 1 1 358.211 2.412 20 10 FECDMO C[N@@H+](CC[S@](=O)C(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000929184278 683559254 /nfs/dbraw/zinc/55/92/54/683559254.db2.gz DDSSNANCTZVNKS-QHCPKHFHSA-N 1 1 350.406 2.224 20 10 FECDMO CC[N@H+]1CC[C@H]2OCCN(Cc3c(O)cccc3Br)[C@H]2C1 ZINC000862377638 683580345 /nfs/dbraw/zinc/58/03/45/683580345.db2.gz JWZVXHACVGKVJC-GOEBONIOSA-N 1 1 355.276 2.450 20 10 FECDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000862552309 683600853 /nfs/dbraw/zinc/60/08/53/683600853.db2.gz VVBALRLWGUWDRP-XQDHMALISA-N 1 1 351.516 2.027 20 10 FECDMO C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cccc(C(F)(F)F)c1O ZINC000866521789 684115019 /nfs/dbraw/zinc/11/50/19/684115019.db2.gz PBSYJEGKGUWIGR-MEBBXXQBSA-N 1 1 360.332 2.283 20 10 FECDMO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000866577655 684121963 /nfs/dbraw/zinc/12/19/63/684121963.db2.gz GEQCNKBORLFGNQ-LBPRGKRZSA-N 1 1 352.431 2.333 20 10 FECDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)c2c1 ZINC000872797198 685017012 /nfs/dbraw/zinc/01/70/12/685017012.db2.gz XLUIBCFARKGKMP-HUUCEWRRSA-N 1 1 361.463 2.421 20 10 FECDMO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(Br)cc3O)C2)C1 ZINC000877712731 686443000 /nfs/dbraw/zinc/44/30/00/686443000.db2.gz SLQUOOITGGGCQS-HNNXBMFYSA-N 1 1 369.215 2.049 20 10 FECDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(Br)cc3O)C2)C1 ZINC000877712731 686443003 /nfs/dbraw/zinc/44/30/03/686443003.db2.gz SLQUOOITGGGCQS-HNNXBMFYSA-N 1 1 369.215 2.049 20 10 FECDMO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000877726132 686445943 /nfs/dbraw/zinc/44/59/43/686445943.db2.gz FKMMCGPEGOZKTN-QMTHXVAHSA-N 1 1 358.232 2.131 20 10 FECDMO COCC[N@@H+]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896626565 689908004 /nfs/dbraw/zinc/90/80/04/689908004.db2.gz ZYJKGKRPBKADCD-UHFFFAOYSA-N 1 1 350.440 2.107 20 10 FECDMO COCC[N@H+]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896626565 689908006 /nfs/dbraw/zinc/90/80/06/689908006.db2.gz ZYJKGKRPBKADCD-UHFFFAOYSA-N 1 1 350.440 2.107 20 10 FECDMO O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896748706 689925442 /nfs/dbraw/zinc/92/54/42/689925442.db2.gz LOMZAPFGBHLMLE-AWEZNQCLSA-N 1 1 353.850 2.098 20 10 FECDMO O=C1NCCN1CC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000897582224 690043964 /nfs/dbraw/zinc/04/39/64/690043964.db2.gz PFVNHWZPUZZGMG-UHFFFAOYSA-N 1 1 368.275 2.392 20 10 FECDMO COC(=O)c1cc(C2C[NH+](Cc3cc(Cl)cc(OC)c3O)C2)[nH]n1 ZINC000898004215 690114540 /nfs/dbraw/zinc/11/45/40/690114540.db2.gz ANQJTLSSJIGMPJ-UHFFFAOYSA-N 1 1 351.790 2.163 20 10 FECDMO