smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)/C=C/C2CC2)cc1 ZINC001125243532 760013056 /nfs/dbraw/zinc/01/30/56/760013056.db2.gz VKSAMVCYRSPNGJ-RUDMXATFSA-N 1 1 342.403 0.843 20 10 ECCDMO C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253617 782565498 /nfs/dbraw/zinc/56/54/98/782565498.db2.gz JNJGDGBANKGQHL-ZWKOPEQDSA-N 1 1 335.364 0.005 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)C2)cc(OC)n1 ZINC001015101490 763881946 /nfs/dbraw/zinc/88/19/46/763881946.db2.gz GLDLALWKDTVVAR-ZDUSSCGKSA-N 1 1 346.391 0.195 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)C[C@H](C)OC)cc1 ZINC001124594226 763957156 /nfs/dbraw/zinc/95/71/56/763957156.db2.gz GPYBRWYEAUOPHM-LBPRGKRZSA-N 1 1 348.407 0.302 20 10 ECCDMO COc1cc(C(=O)NC2C[NH+](CC[C@@H]3CCOC3)C2)cc(OC)n1 ZINC001030614540 764284776 /nfs/dbraw/zinc/28/47/76/764284776.db2.gz KVGQXRJEJHBUSL-GFCCVEGCSA-N 1 1 335.404 0.939 20 10 ECCDMO CC(=O)NCC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089807012 767234517 /nfs/dbraw/zinc/23/45/17/767234517.db2.gz DHZRJTRKBQCUQC-UHFFFAOYSA-N 1 1 331.420 0.872 20 10 ECCDMO C[N@@H+]1CCO[C@H](C(=O)NCCC2=CCN(c3nccnc3F)CC2)C1 ZINC001089816834 767289295 /nfs/dbraw/zinc/28/92/95/767289295.db2.gz CMNLJEQRVYJRHK-AWEZNQCLSA-N 1 1 349.410 0.589 20 10 ECCDMO C[N@H+]1CCO[C@H](C(=O)NCCC2=CCN(c3nccnc3F)CC2)C1 ZINC001089816834 767289297 /nfs/dbraw/zinc/28/92/97/767289297.db2.gz CMNLJEQRVYJRHK-AWEZNQCLSA-N 1 1 349.410 0.589 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)[C@H](C)NC(N)=O)CC2)nc(C)[nH+]1 ZINC001089827606 767361859 /nfs/dbraw/zinc/36/18/59/767361859.db2.gz PICOVLAABQEOCT-LBPRGKRZSA-N 1 1 346.435 0.793 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)[C@H]3COC(=O)N3)CC2)nc(C)[nH+]1 ZINC001089829806 767376622 /nfs/dbraw/zinc/37/66/22/767376622.db2.gz YCMRWHUILLMWMZ-CQSZACIVSA-N 1 1 345.403 0.845 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](C(=O)OC)C1)cc2=O ZINC000298798304 202347958 /nfs/dbraw/zinc/34/79/58/202347958.db2.gz MUQYGUOCSLRGBT-SNVBAGLBSA-N 1 1 348.359 0.607 20 10 ECCDMO COc1c(O)c(C[NH2+]CCS(=O)(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000290798238 437530443 /nfs/dbraw/zinc/53/04/43/437530443.db2.gz FCJRLJXQKVQPEW-UHFFFAOYSA-N 1 1 333.366 0.290 20 10 ECCDMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c(O)c1O ZINC000371663712 437975810 /nfs/dbraw/zinc/97/58/10/437975810.db2.gz DXTSSOANPNQEAE-CQSZACIVSA-N 1 1 349.431 0.543 20 10 ECCDMO CNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000367375733 438201390 /nfs/dbraw/zinc/20/13/90/438201390.db2.gz WLJASNZOIBPGIE-GFCCVEGCSA-N 1 1 325.796 0.872 20 10 ECCDMO CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000367375733 438201394 /nfs/dbraw/zinc/20/13/94/438201394.db2.gz WLJASNZOIBPGIE-GFCCVEGCSA-N 1 1 325.796 0.872 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)[C@H](C)CO)CC2)cc1 ZINC000754069984 579412301 /nfs/dbraw/zinc/41/23/01/579412301.db2.gz JDNCHUUCSADBJS-NVXWUHKLSA-N 1 1 337.464 0.491 20 10 ECCDMO CC(C)[N@@H+](C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000726195382 578139128 /nfs/dbraw/zinc/13/91/28/578139128.db2.gz XRGIKYKLRHMZQL-UHFFFAOYSA-N 1 1 329.422 0.834 20 10 ECCDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000731058360 578310332 /nfs/dbraw/zinc/31/03/32/578310332.db2.gz UZMMAXDPERZBBS-NSHDSACASA-N 1 1 341.433 0.835 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CCO)CC1CC1)cc2=O ZINC000731847189 578315745 /nfs/dbraw/zinc/31/57/45/578315745.db2.gz SXANTHFTJRNFJD-UHFFFAOYSA-N 1 1 334.376 0.816 20 10 ECCDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000790608790 578876326 /nfs/dbraw/zinc/87/63/26/578876326.db2.gz GJYSDXKIFJODGW-CYBMUJFWSA-N 1 1 333.388 0.652 20 10 ECCDMO COc1cccc(O)c1C[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000769467522 579145405 /nfs/dbraw/zinc/14/54/05/579145405.db2.gz XPVPYRTWMLNXJV-UHFFFAOYSA-N 1 1 330.388 0.817 20 10 ECCDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000770680060 579173462 /nfs/dbraw/zinc/17/34/62/579173462.db2.gz WNEXAXSFQARBSQ-FZMZJTMJSA-N 1 1 342.417 0.332 20 10 ECCDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895702783 586199450 /nfs/dbraw/zinc/19/94/50/586199450.db2.gz VLWYNSDOQGHNTB-GOSISDBHSA-N 1 1 334.416 0.758 20 10 ECCDMO COC(=O)[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)CC[N@@H+](C)C1 ZINC000894896160 586418000 /nfs/dbraw/zinc/41/80/00/586418000.db2.gz JFXSQWJTOUMHOF-ZDUSSCGKSA-N 1 1 338.404 0.946 20 10 ECCDMO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894896160 586418002 /nfs/dbraw/zinc/41/80/02/586418002.db2.gz JFXSQWJTOUMHOF-ZDUSSCGKSA-N 1 1 338.404 0.946 20 10 ECCDMO COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894896160 586418004 /nfs/dbraw/zinc/41/80/04/586418004.db2.gz JFXSQWJTOUMHOF-ZDUSSCGKSA-N 1 1 338.404 0.946 20 10 ECCDMO COc1c([O-])c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000843121177 589051440 /nfs/dbraw/zinc/05/14/40/589051440.db2.gz GEBKQULYQJUWMU-ZDUSSCGKSA-N 1 1 336.392 0.789 20 10 ECCDMO COc1c([O-])c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000843121177 589051442 /nfs/dbraw/zinc/05/14/42/589051442.db2.gz GEBKQULYQJUWMU-ZDUSSCGKSA-N 1 1 336.392 0.789 20 10 ECCDMO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843433639 589066994 /nfs/dbraw/zinc/06/69/94/589066994.db2.gz BQAZSXZXTIFJDP-FUHWJXTLSA-N 1 1 347.459 0.794 20 10 ECCDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843433639 589066995 /nfs/dbraw/zinc/06/69/95/589066995.db2.gz BQAZSXZXTIFJDP-FUHWJXTLSA-N 1 1 347.459 0.794 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@](O)(CO)C2)cc1 ZINC000839149945 586838589 /nfs/dbraw/zinc/83/85/89/586838589.db2.gz YKWLSBNTUNZMCE-SFHVURJKSA-N 1 1 335.448 0.530 20 10 ECCDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000818971848 587462677 /nfs/dbraw/zinc/46/26/77/587462677.db2.gz RAMYYJPAUXXEOA-GFCCVEGCSA-N 1 1 341.433 0.930 20 10 ECCDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000818971848 587462678 /nfs/dbraw/zinc/46/26/78/587462678.db2.gz RAMYYJPAUXXEOA-GFCCVEGCSA-N 1 1 341.433 0.930 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](O)[C@H]3C)CC2)cc1 ZINC000832209448 588474672 /nfs/dbraw/zinc/47/46/72/588474672.db2.gz IJVNTKIDQJTEEJ-RHSMWYFYSA-N 1 1 333.432 0.799 20 10 ECCDMO C[C@@H](NC(=O)CN1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000111582472 589558136 /nfs/dbraw/zinc/55/81/36/589558136.db2.gz PNODBQHENXPFDJ-MRXNPFEDSA-N 1 1 346.475 0.948 20 10 ECCDMO COc1ccc(N2CC[C@@H](NC(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)cc1 ZINC000855233570 589623597 /nfs/dbraw/zinc/62/35/97/589623597.db2.gz ILOBGQNRWATSBJ-CRAIPNDOSA-N 1 1 344.459 0.780 20 10 ECCDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000856073370 589653774 /nfs/dbraw/zinc/65/37/74/589653774.db2.gz OHORSKTXLGSJAL-LBPRGKRZSA-N 1 1 341.433 0.978 20 10 ECCDMO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1c(O)cccc1F ZINC000886545368 590857932 /nfs/dbraw/zinc/85/79/32/590857932.db2.gz LOKIZSCMEMCCDD-LLVKDONJSA-N 1 1 332.397 0.844 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN(C)C[C@H](C)[NH3+])CC2)cc1 ZINC000923408930 611239995 /nfs/dbraw/zinc/23/99/95/611239995.db2.gz KRFMTKLXVMVJHL-DOTOQJQBSA-N 1 1 336.480 0.457 20 10 ECCDMO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC000979159872 747275962 /nfs/dbraw/zinc/27/59/62/747275962.db2.gz QFUZFLAFSHKPGZ-XYYAHUGASA-N 1 1 344.375 0.242 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)C=C2CCC2)cc1 ZINC001125552378 735281236 /nfs/dbraw/zinc/28/12/36/735281236.db2.gz YSRMZIYBKIPCLZ-UHFFFAOYSA-N 1 1 342.403 0.987 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1cnn(C)c1)cc2=O ZINC000079866619 436305904 /nfs/dbraw/zinc/30/59/04/436305904.db2.gz PUSORYNLOCUAJN-UHFFFAOYSA-N 1 1 344.375 0.977 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)Cc1cnn(C)c1)cc2=O ZINC000079866619 436305909 /nfs/dbraw/zinc/30/59/09/436305909.db2.gz PUSORYNLOCUAJN-UHFFFAOYSA-N 1 1 344.375 0.977 20 10 ECCDMO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000111264443 436630898 /nfs/dbraw/zinc/63/08/98/436630898.db2.gz COOOMEZGOCBQKN-OAHLLOKOSA-N 1 1 332.448 0.827 20 10 ECCDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]([NH3+])CC(N)=O ZINC000269655884 436667831 /nfs/dbraw/zinc/66/78/31/436667831.db2.gz FJVCZEJFGMXFDZ-SNVBAGLBSA-N 1 1 344.209 0.706 20 10 ECCDMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285681644 437081327 /nfs/dbraw/zinc/08/13/27/437081327.db2.gz JQRDFSTVKVGQLS-UHFFFAOYSA-N 1 1 347.394 0.829 20 10 ECCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000363118583 437768661 /nfs/dbraw/zinc/76/86/61/437768661.db2.gz ARUMSYMNGWLPPG-QGZVFWFLSA-N 1 1 333.432 0.860 20 10 ECCDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000363118583 437768667 /nfs/dbraw/zinc/76/86/67/437768667.db2.gz ARUMSYMNGWLPPG-QGZVFWFLSA-N 1 1 333.432 0.860 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000368972012 438406325 /nfs/dbraw/zinc/40/63/25/438406325.db2.gz DYTKBABNYARSEM-YXJHDRRASA-N 1 1 344.459 0.955 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000368972012 438406330 /nfs/dbraw/zinc/40/63/30/438406330.db2.gz DYTKBABNYARSEM-YXJHDRRASA-N 1 1 344.459 0.955 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3CCOC3)CC2)cc1 ZINC000752155147 579381486 /nfs/dbraw/zinc/38/14/86/579381486.db2.gz VEMVUDBNQGOURI-OAHLLOKOSA-N 1 1 348.447 0.905 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)CC(=O)N(C)C)cc2=O ZINC000735870266 578398534 /nfs/dbraw/zinc/39/85/34/578398534.db2.gz QVUCTPDUMBWGDQ-UHFFFAOYSA-N 1 1 349.391 0.522 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)CC(=O)N(C)C)cc2=O ZINC000735870266 578398535 /nfs/dbraw/zinc/39/85/35/578398535.db2.gz QVUCTPDUMBWGDQ-UHFFFAOYSA-N 1 1 349.391 0.522 20 10 ECCDMO O=S1(=O)CC[C@@H]([N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C2CC2)C1 ZINC000768441471 579125584 /nfs/dbraw/zinc/12/55/84/579125584.db2.gz JDFDSXODRUASDM-DOMZBBRYSA-N 1 1 339.413 0.970 20 10 ECCDMO O=S1(=O)CC[C@@H]([N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C2CC2)C1 ZINC000768441471 579125585 /nfs/dbraw/zinc/12/55/85/579125585.db2.gz JDFDSXODRUASDM-DOMZBBRYSA-N 1 1 339.413 0.970 20 10 ECCDMO O=S1(=O)CC[C@H]([N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C2CC2)C1 ZINC000768441478 579125602 /nfs/dbraw/zinc/12/56/02/579125602.db2.gz JDFDSXODRUASDM-WFASDCNBSA-N 1 1 339.413 0.970 20 10 ECCDMO O=S1(=O)CC[C@H]([N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C2CC2)C1 ZINC000768441478 579125603 /nfs/dbraw/zinc/12/56/03/579125603.db2.gz JDFDSXODRUASDM-WFASDCNBSA-N 1 1 339.413 0.970 20 10 ECCDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000770680053 579173402 /nfs/dbraw/zinc/17/34/02/579173402.db2.gz WNEXAXSFQARBSQ-BXUZGUMPSA-N 1 1 342.417 0.332 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000779224097 579314436 /nfs/dbraw/zinc/31/44/36/579314436.db2.gz YMDULAZWHYWROT-ROUUACIJSA-N 1 1 349.475 0.635 20 10 ECCDMO CN1CCCc2cc(CNC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)ccc21 ZINC000763026344 579553729 /nfs/dbraw/zinc/55/37/29/579553729.db2.gz RIOXIIJRLAPQAH-SFHVURJKSA-N 1 1 332.448 0.935 20 10 ECCDMO Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000842227216 589022543 /nfs/dbraw/zinc/02/25/43/589022543.db2.gz SQSQHHMONKKAQB-CVEARBPZSA-N 1 1 330.432 0.671 20 10 ECCDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842238750 589023803 /nfs/dbraw/zinc/02/38/03/589023803.db2.gz XOTYFNHSSXLYIR-MRXNPFEDSA-N 1 1 332.448 0.869 20 10 ECCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892237879 586238109 /nfs/dbraw/zinc/23/81/09/586238109.db2.gz SPGMSXGKWGAPRG-LLVKDONJSA-N 1 1 330.406 0.533 20 10 ECCDMO CCN(CC)c1ccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000897282301 586293890 /nfs/dbraw/zinc/29/38/90/586293890.db2.gz HXQSTRJSXZMAGG-MRXNPFEDSA-N 1 1 338.477 0.867 20 10 ECCDMO CCN(CC)c1ccc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC000897282301 586293892 /nfs/dbraw/zinc/29/38/92/586293892.db2.gz HXQSTRJSXZMAGG-MRXNPFEDSA-N 1 1 338.477 0.867 20 10 ECCDMO CN(C)c1ccc([C@H](C[NH2+]Cc2cn(CC(N)=O)nn2)N(C)C)cc1 ZINC000898449275 586423961 /nfs/dbraw/zinc/42/39/61/586423961.db2.gz AIJHJJDIQARNSM-INIZCTEOSA-N 1 1 345.451 0.222 20 10 ECCDMO COc1ccc(N2CCN(C(=O)Cc3noc([C@H](C)[NH3+])n3)CC2)cc1 ZINC000843218417 589054446 /nfs/dbraw/zinc/05/44/46/589054446.db2.gz YEUYMDDNJTWSDV-LBPRGKRZSA-N 1 1 345.403 0.989 20 10 ECCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843435568 589066891 /nfs/dbraw/zinc/06/68/91/589066891.db2.gz VWUSSKFGDPOLDE-WBVHZDCISA-N 1 1 334.416 0.879 20 10 ECCDMO COCC1CN(C[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000905972739 586925812 /nfs/dbraw/zinc/92/58/12/586925812.db2.gz SSFHUVKKIXGUJN-GOSISDBHSA-N 1 1 349.475 0.756 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000846053156 589182905 /nfs/dbraw/zinc/18/29/05/589182905.db2.gz SRSSHABTUBUUCY-UHFFFAOYSA-N 1 1 346.431 0.661 20 10 ECCDMO COc1ccc(N2CC[C@@H](NC(=O)CN3CC[NH+](C)CC3)C2)cc1 ZINC000855231331 589623545 /nfs/dbraw/zinc/62/35/45/589623545.db2.gz LAKAWUMRQPKVPW-OAHLLOKOSA-N 1 1 332.448 0.638 20 10 ECCDMO CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CC[N@@H+](C)C1 ZINC000855360288 589627626 /nfs/dbraw/zinc/62/76/26/589627626.db2.gz JYKHNBIXSOIQHX-LBPRGKRZSA-N 1 1 341.433 0.930 20 10 ECCDMO COC(=O)/C=C\c1ccc(N2CC[N@H+](C)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000872605720 590132253 /nfs/dbraw/zinc/13/22/53/590132253.db2.gz JPMBHGRWMUFLCA-AGLBCWCQSA-N 1 1 335.360 0.894 20 10 ECCDMO COC(=O)/C=C\c1ccc(N2CC[N@@H+](C)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000872605720 590132254 /nfs/dbraw/zinc/13/22/54/590132254.db2.gz JPMBHGRWMUFLCA-AGLBCWCQSA-N 1 1 335.360 0.894 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)NCC[N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000875714714 590323970 /nfs/dbraw/zinc/32/39/70/590323970.db2.gz DAVYOYYBPGIJHX-GOEBONIOSA-N 1 1 348.447 0.640 20 10 ECCDMO CN1C(=O)[C@H]2C[N@H+](Cc3ccc(N4CCN(C)CC4)cc3)C[C@H]2C1=O ZINC000877720710 590479475 /nfs/dbraw/zinc/47/94/75/590479475.db2.gz VDXYRDBFUBIUBM-CALCHBBNSA-N 1 1 342.443 0.485 20 10 ECCDMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(N4CCN(C)CC4)cc3)C[C@H]2C1=O ZINC000877720710 590479477 /nfs/dbraw/zinc/47/94/77/590479477.db2.gz VDXYRDBFUBIUBM-CALCHBBNSA-N 1 1 342.443 0.485 20 10 ECCDMO C[C@H]1[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@H+]1C ZINC000928442823 608740858 /nfs/dbraw/zinc/74/08/58/608740858.db2.gz RBBXTTHILQPQQQ-JOYOIKCWSA-N 1 1 327.406 0.586 20 10 ECCDMO COCC[N@H+]1CC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000924601998 609049078 /nfs/dbraw/zinc/04/90/78/609049078.db2.gz ZGSLRVRGLUIWHA-AWEZNQCLSA-N 1 1 333.388 0.877 20 10 ECCDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000912709571 609991239 /nfs/dbraw/zinc/99/12/39/609991239.db2.gz PGKOQQMYUAHROV-PKOBYXMFSA-N 1 1 347.459 0.719 20 10 ECCDMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945220224 610960913 /nfs/dbraw/zinc/96/09/13/610960913.db2.gz GOLBHVMOHIZSQD-MFKMUULPSA-N 1 1 346.391 0.775 20 10 ECCDMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945220224 610960915 /nfs/dbraw/zinc/96/09/15/610960915.db2.gz GOLBHVMOHIZSQD-MFKMUULPSA-N 1 1 346.391 0.775 20 10 ECCDMO C[C@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013811 743192777 /nfs/dbraw/zinc/19/27/77/743192777.db2.gz IHJDPWNDTBPRQN-MNOVXSKESA-N 1 1 346.391 0.775 20 10 ECCDMO C[N@H+](CC(N)=O)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698445 746880785 /nfs/dbraw/zinc/88/07/85/746880785.db2.gz JXWPAEQNRSCDFN-CYBMUJFWSA-N 1 1 346.391 0.871 20 10 ECCDMO C[N@@H+](CC(N)=O)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698445 746880788 /nfs/dbraw/zinc/88/07/88/746880788.db2.gz JXWPAEQNRSCDFN-CYBMUJFWSA-N 1 1 346.391 0.871 20 10 ECCDMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015103434 763886967 /nfs/dbraw/zinc/88/69/67/763886967.db2.gz OLCPSEMIXFNXHV-RYUDHWBXSA-N 1 1 336.392 0.167 20 10 ECCDMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015103434 763886977 /nfs/dbraw/zinc/88/69/77/763886977.db2.gz OLCPSEMIXFNXHV-RYUDHWBXSA-N 1 1 336.392 0.167 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)CNC(N)=O)CC2)nc(C)[nH+]1 ZINC001089804386 767226652 /nfs/dbraw/zinc/22/66/52/767226652.db2.gz GGCOJCQPSGWEOP-UHFFFAOYSA-N 1 1 332.408 0.405 20 10 ECCDMO CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386988 436090123 /nfs/dbraw/zinc/09/01/23/436090123.db2.gz SMLHGAGWSAUFLJ-UHFFFAOYSA-N 1 1 334.420 0.801 20 10 ECCDMO COc1cc(O)c(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)cc1OC ZINC000271797141 436694239 /nfs/dbraw/zinc/69/42/39/436694239.db2.gz KDLJOIYBHCFLJP-CQSZACIVSA-N 1 1 340.420 0.534 20 10 ECCDMO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CSC[NH2+]1 ZINC000165415971 436935617 /nfs/dbraw/zinc/93/56/17/436935617.db2.gz WNCXXHBUZGYEJQ-ZDUSSCGKSA-N 1 1 325.409 0.941 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3COC(=O)N3)CC2)cc1 ZINC000294774271 436960330 /nfs/dbraw/zinc/96/03/30/436960330.db2.gz RHGVEMUTYPSJMZ-OAHLLOKOSA-N 1 1 348.403 0.042 20 10 ECCDMO O=S(=O)(NC1CC1)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000372238272 438055116 /nfs/dbraw/zinc/05/51/16/438055116.db2.gz KSQZUMGGPFTPGN-LBPRGKRZSA-N 1 1 340.401 0.777 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000368972010 438405497 /nfs/dbraw/zinc/40/54/97/438405497.db2.gz DYTKBABNYARSEM-LESCRADOSA-N 1 1 344.459 0.955 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000368972010 438405499 /nfs/dbraw/zinc/40/54/99/438405499.db2.gz DYTKBABNYARSEM-LESCRADOSA-N 1 1 344.459 0.955 20 10 ECCDMO COc1ccc(O)c(C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)c1 ZINC000529665860 439436800 /nfs/dbraw/zinc/43/68/00/439436800.db2.gz SRGSPRXZIJZMCQ-UHFFFAOYSA-N 1 1 335.404 0.571 20 10 ECCDMO C[N@H+]1CC[C@@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000729526178 578296720 /nfs/dbraw/zinc/29/67/20/578296720.db2.gz ZBFQDABQZKEXIO-JKSUJKDBSA-N 1 1 344.459 0.956 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000785424921 578768637 /nfs/dbraw/zinc/76/86/37/578768637.db2.gz WVAYXDPFMHXAKR-INIZCTEOSA-N 1 1 344.459 0.969 20 10 ECCDMO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000785428973 578768725 /nfs/dbraw/zinc/76/87/25/578768725.db2.gz UISRYRUVHBMVLQ-DZGCQCFKSA-N 1 1 332.448 0.968 20 10 ECCDMO CCNS(=O)(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775027202 579261548 /nfs/dbraw/zinc/26/15/48/579261548.db2.gz IXCRTDMADZZEJW-UHFFFAOYSA-N 1 1 333.366 0.338 20 10 ECCDMO COc1cc(O)c(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1OC ZINC000762176345 579537990 /nfs/dbraw/zinc/53/79/90/579537990.db2.gz URFUFPQAMWLNRZ-LBPRGKRZSA-N 1 1 344.433 0.923 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)cc1OC ZINC000762176345 579537992 /nfs/dbraw/zinc/53/79/92/579537992.db2.gz URFUFPQAMWLNRZ-LBPRGKRZSA-N 1 1 344.433 0.923 20 10 ECCDMO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3COCCN3)cc2)CC1 ZINC000892291730 586243449 /nfs/dbraw/zinc/24/34/49/586243449.db2.gz ZWNMQPKHZSEVRA-MRXNPFEDSA-N 1 1 347.463 0.226 20 10 ECCDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000901131825 586696882 /nfs/dbraw/zinc/69/68/82/586696882.db2.gz PPOMAYMSBQRTNL-CYBMUJFWSA-N 1 1 336.388 0.989 20 10 ECCDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000901131825 586696883 /nfs/dbraw/zinc/69/68/83/586696883.db2.gz PPOMAYMSBQRTNL-CYBMUJFWSA-N 1 1 336.388 0.989 20 10 ECCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000843435933 589066706 /nfs/dbraw/zinc/06/67/06/589066706.db2.gz ZRUCHWDAXWSMKI-VXGBXAGGSA-N 1 1 325.361 0.765 20 10 ECCDMO CN1CC[N@@H+](C)CC(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000906385816 586947066 /nfs/dbraw/zinc/94/70/66/586947066.db2.gz SZZYABCULLWAEC-UHFFFAOYSA-N 1 1 346.475 0.633 20 10 ECCDMO COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000818646127 587442313 /nfs/dbraw/zinc/44/23/13/587442313.db2.gz ZODYMIADXLIOIE-UHFFFAOYSA-N 1 1 334.420 0.777 20 10 ECCDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000825293994 587929697 /nfs/dbraw/zinc/92/96/97/587929697.db2.gz XVUQMNXLEBFGCW-XQRVVYSFSA-N 1 1 333.388 0.343 20 10 ECCDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000826963329 588092456 /nfs/dbraw/zinc/09/24/56/588092456.db2.gz YVATWOPTXYLGSJ-JOYOIKCWSA-N 1 1 326.305 0.729 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)CCNC(C)=O)cc2=O ZINC000830148146 588362584 /nfs/dbraw/zinc/36/25/84/588362584.db2.gz IUKABPTZXQUTGM-UHFFFAOYSA-N 1 1 335.364 0.180 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C[C@H]1C[C@@H](O)C1)cc2=O ZINC000859969258 589732690 /nfs/dbraw/zinc/73/26/90/589732690.db2.gz CSNOKBDJDVDEMS-KLPPZKSPSA-N 1 1 334.376 0.814 20 10 ECCDMO Nc1nc(N)[nH+]c(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000858355538 589743956 /nfs/dbraw/zinc/74/39/56/589743956.db2.gz QFGAZINZMRFTEC-UHFFFAOYSA-N 1 1 333.371 0.748 20 10 ECCDMO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000875714712 590324318 /nfs/dbraw/zinc/32/43/18/590324318.db2.gz DAVYOYYBPGIJHX-GDBMZVCRSA-N 1 1 348.447 0.640 20 10 ECCDMO CNC(=O)NC(=O)CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000073984878 611442043 /nfs/dbraw/zinc/44/20/43/611442043.db2.gz NRLKBJQGENKDGM-UHFFFAOYSA-N 1 1 334.420 0.801 20 10 ECCDMO COc1ccc(N(C)CCN(C)C(=O)C(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000931886627 611581710 /nfs/dbraw/zinc/58/17/10/611581710.db2.gz QARZSBQKTSVIRL-OAHLLOKOSA-N 1 1 348.447 0.410 20 10 ECCDMO COc1ccc(N(C)CCN(C)C(=O)C(=O)NC[C@H]2CC[N@H+]2C)cc1 ZINC000931886627 611581712 /nfs/dbraw/zinc/58/17/12/611581712.db2.gz QARZSBQKTSVIRL-OAHLLOKOSA-N 1 1 348.447 0.410 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(NC(N)=O)CC2)cc1 ZINC000175751564 608610630 /nfs/dbraw/zinc/61/06/30/608610630.db2.gz QPKVBORYYGNIHS-UHFFFAOYSA-N 1 1 347.463 0.844 20 10 ECCDMO Cc1cc(C)c(O)c(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC000164129719 609696957 /nfs/dbraw/zinc/69/69/57/609696957.db2.gz VYOVNIJOPKIMBR-UHFFFAOYSA-N 1 1 331.416 0.932 20 10 ECCDMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000910545109 609730674 /nfs/dbraw/zinc/73/06/74/609730674.db2.gz ZXRAMMHNDSSTSW-INIZCTEOSA-N 1 1 332.448 0.921 20 10 ECCDMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000910545109 609730678 /nfs/dbraw/zinc/73/06/78/609730678.db2.gz ZXRAMMHNDSSTSW-INIZCTEOSA-N 1 1 332.448 0.921 20 10 ECCDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000912709568 609991428 /nfs/dbraw/zinc/99/14/28/609991428.db2.gz PGKOQQMYUAHROV-HKUYNNGSSA-N 1 1 347.459 0.719 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccnn3C)CC2)cc1 ZINC000299653738 437099192 /nfs/dbraw/zinc/09/91/92/437099192.db2.gz JZWFWCKZTGONTF-UHFFFAOYSA-N 1 1 343.431 0.981 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](CC(N)=O)C1)cc2=O ZINC000377599499 438314295 /nfs/dbraw/zinc/31/42/95/438314295.db2.gz FJPDUVSESYSTNE-SNVBAGLBSA-N 1 1 347.375 0.309 20 10 ECCDMO COc1ccc(N2CC[NH+](C[C@H](O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000732408562 578325193 /nfs/dbraw/zinc/32/51/93/578325193.db2.gz OMNJNIWQCNFHCJ-HNNXBMFYSA-N 1 1 347.415 0.327 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)C3(CO)CC3)CC2)cc1 ZINC000796505484 578625490 /nfs/dbraw/zinc/62/54/90/578625490.db2.gz ZDNLCVRDYDNMFU-KRWDZBQOSA-N 1 1 349.475 0.635 20 10 ECCDMO CN(C)C(=O)CCN1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768461856 579126250 /nfs/dbraw/zinc/12/62/50/579126250.db2.gz GHSWWUYUULOFKD-INIZCTEOSA-N 1 1 349.431 0.414 20 10 ECCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](CN3CCOCC3)C1)[C@H](O)CO2 ZINC000768466599 579126388 /nfs/dbraw/zinc/12/63/88/579126388.db2.gz SRJUUVSXQGRXGH-SUMWQHHRSA-N 1 1 334.416 0.972 20 10 ECCDMO CC(C)(C(N)=O)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769503379 579145719 /nfs/dbraw/zinc/14/57/19/579145719.db2.gz JITLGZZRCSNNAK-UHFFFAOYSA-N 1 1 346.475 0.905 20 10 ECCDMO CCOc1ccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c(O)c1 ZINC000897285330 586294065 /nfs/dbraw/zinc/29/40/65/586294065.db2.gz VJDDZYVBNQFLOJ-LBPRGKRZSA-N 1 1 327.406 0.125 20 10 ECCDMO CCOc1ccc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c(O)c1 ZINC000897285330 586294067 /nfs/dbraw/zinc/29/40/67/586294067.db2.gz VJDDZYVBNQFLOJ-LBPRGKRZSA-N 1 1 327.406 0.125 20 10 ECCDMO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839590386 586880915 /nfs/dbraw/zinc/88/09/15/586880915.db2.gz UIMPHRZXCZJCGS-YOEHRIQHSA-N 1 1 335.448 0.841 20 10 ECCDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839590386 586880917 /nfs/dbraw/zinc/88/09/17/586880917.db2.gz UIMPHRZXCZJCGS-YOEHRIQHSA-N 1 1 335.448 0.841 20 10 ECCDMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807290741 587124550 /nfs/dbraw/zinc/12/45/50/587124550.db2.gz NDBNHOXSOZBWSG-INIZCTEOSA-N 1 1 342.443 0.889 20 10 ECCDMO CN(C)c1ccc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1F ZINC000826019282 587981327 /nfs/dbraw/zinc/98/13/27/587981327.db2.gz CIZKQBHJMWVSCC-CQSZACIVSA-N 1 1 336.411 0.852 20 10 ECCDMO CN(C)c1ccc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1F ZINC000826019282 587981330 /nfs/dbraw/zinc/98/13/30/587981330.db2.gz CIZKQBHJMWVSCC-CQSZACIVSA-N 1 1 336.411 0.852 20 10 ECCDMO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844394051 589109986 /nfs/dbraw/zinc/10/99/86/589109986.db2.gz NSPRQXCFXDOPRC-DLBZAZTESA-N 1 1 335.448 0.793 20 10 ECCDMO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000846441958 589201822 /nfs/dbraw/zinc/20/18/22/589201822.db2.gz GXYKFWRBNQYVJS-SFHVURJKSA-N 1 1 346.475 0.980 20 10 ECCDMO O[C@@H]1C[C@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)CC[N@H+]2C1 ZINC000848925916 589315939 /nfs/dbraw/zinc/31/59/39/589315939.db2.gz IBPMIJORFGDFFV-JKSUJKDBSA-N 1 1 335.423 0.913 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC(CO)(CO)C2)cc1 ZINC000852627079 589503478 /nfs/dbraw/zinc/50/34/78/589503478.db2.gz CEESNJIMXSJHRB-UHFFFAOYSA-N 1 1 335.448 0.388 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC(CO)(CO)C2)cc1 ZINC000852627079 589503480 /nfs/dbraw/zinc/50/34/80/589503480.db2.gz CEESNJIMXSJHRB-UHFFFAOYSA-N 1 1 335.448 0.388 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)CN3CC[NH+](C)CC3)C2)cc1 ZINC000855231328 589623524 /nfs/dbraw/zinc/62/35/24/589623524.db2.gz LAKAWUMRQPKVPW-HNNXBMFYSA-N 1 1 332.448 0.638 20 10 ECCDMO Cc1cc(O)c(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c(Cl)c1 ZINC000858313914 589741285 /nfs/dbraw/zinc/74/12/85/589741285.db2.gz LYHXMKPSAFBIKG-UHFFFAOYSA-N 1 1 333.841 0.934 20 10 ECCDMO Cn1ncnc1C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000877145449 590440732 /nfs/dbraw/zinc/44/07/32/590440732.db2.gz HTVSPLGYHAXAOZ-AWEZNQCLSA-N 1 1 328.420 0.807 20 10 ECCDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCc3ccc(N)cc3)CC[C@@H]21 ZINC000884693767 590899227 /nfs/dbraw/zinc/89/92/27/590899227.db2.gz NVNXWSMUMRVOBN-HOCLYGCPSA-N 1 1 330.432 0.480 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3CCC([NH3+])CC3)CC2)cc1 ZINC000923277113 611223293 /nfs/dbraw/zinc/22/32/93/611223293.db2.gz JYDVIECWUUXAET-GOSISDBHSA-N 1 1 348.491 0.601 20 10 ECCDMO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923280894 611224316 /nfs/dbraw/zinc/22/43/16/611224316.db2.gz JROJAHXJJPBXNM-WMZOPIPTSA-N 1 1 348.491 0.459 20 10 ECCDMO C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253616 782566005 /nfs/dbraw/zinc/56/60/05/782566005.db2.gz JNJGDGBANKGQHL-OASPWFOLSA-N 1 1 335.364 0.005 20 10 ECCDMO COC[C@@H](C)C(=O)NCC[NH2+]Cc1nnnn1-c1ccc(OC)cc1 ZINC001124753678 764201390 /nfs/dbraw/zinc/20/13/90/764201390.db2.gz LCLBSRBLMBKWAM-GFCCVEGCSA-N 1 1 348.407 0.159 20 10 ECCDMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016367059 766191750 /nfs/dbraw/zinc/19/17/50/766191750.db2.gz HWQVCMIPYXMTAZ-ZWNOBZJWSA-N 1 1 346.391 0.788 20 10 ECCDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016367059 766191756 /nfs/dbraw/zinc/19/17/56/766191756.db2.gz HWQVCMIPYXMTAZ-ZWNOBZJWSA-N 1 1 346.391 0.788 20 10 ECCDMO CNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016367055 766191947 /nfs/dbraw/zinc/19/19/47/766191947.db2.gz HWQVCMIPYXMTAZ-GWCFXTLKSA-N 1 1 346.391 0.788 20 10 ECCDMO CNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016367055 766191949 /nfs/dbraw/zinc/19/19/49/766191949.db2.gz HWQVCMIPYXMTAZ-GWCFXTLKSA-N 1 1 346.391 0.788 20 10 ECCDMO CC(C)[N@@H+](CC(=O)N1CCNC(=O)C1)Cc1ccc(N(C)C)cc1 ZINC000298744563 202348640 /nfs/dbraw/zinc/34/86/40/202348640.db2.gz YTIGZEZHRYIOJL-UHFFFAOYSA-N 1 1 332.448 0.921 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccn[nH]3)CC2)cc1 ZINC000299498621 254588100 /nfs/dbraw/zinc/58/81/00/254588100.db2.gz LKQOYJIMTXHSDU-UHFFFAOYSA-N 1 1 329.404 0.970 20 10 ECCDMO CC(C)NC(=O)CN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000022280957 436117031 /nfs/dbraw/zinc/11/70/31/436117031.db2.gz MXAFUEUJKAWSFP-UHFFFAOYSA-N 1 1 335.404 0.763 20 10 ECCDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000027356069 436174633 /nfs/dbraw/zinc/17/46/33/436174633.db2.gz XEPYNIXSBDYWML-UHFFFAOYSA-N 1 1 347.463 0.762 20 10 ECCDMO C[C@H](CO)[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000131993284 436860972 /nfs/dbraw/zinc/86/09/72/436860972.db2.gz VQYORKNQCQGFKQ-CYBMUJFWSA-N 1 1 339.411 0.591 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)CC1(CO)CC1)cc2=O ZINC000275492873 436976547 /nfs/dbraw/zinc/97/65/47/436976547.db2.gz PUQMCNVUBLJKGU-UHFFFAOYSA-N 1 1 334.376 0.816 20 10 ECCDMO CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000281278586 436959892 /nfs/dbraw/zinc/95/98/92/436959892.db2.gz WBDZWKJOSVBJJZ-SFHVURJKSA-N 1 1 332.448 0.827 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H](O)C(C)C)CC2)cc1 ZINC000285162752 437075100 /nfs/dbraw/zinc/07/51/00/437075100.db2.gz PRPFDKWUXZVEQP-QGZVFWFLSA-N 1 1 335.448 0.950 20 10 ECCDMO CCS(=O)(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278561885 437321600 /nfs/dbraw/zinc/32/16/00/437321600.db2.gz BKSXDVHRJPJFRF-UHFFFAOYSA-N 1 1 333.366 0.338 20 10 ECCDMO CCOc1cccc(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)c1O ZINC000289141938 437383966 /nfs/dbraw/zinc/38/39/66/437383966.db2.gz AJSDNZFRDWBDES-UHFFFAOYSA-N 1 1 346.391 0.122 20 10 ECCDMO COc1ccc(N2CCC([N@H+](C)Cc3nc(N)nc(N)n3)CC2)cc1 ZINC000369815666 438517566 /nfs/dbraw/zinc/51/75/66/438517566.db2.gz DPWOOBZYGZHGIV-UHFFFAOYSA-N 1 1 343.435 0.806 20 10 ECCDMO COc1ccc(N2CCC([N@@H+](C)Cc3nc(N)nc(N)n3)CC2)cc1 ZINC000369815666 438517570 /nfs/dbraw/zinc/51/75/70/438517570.db2.gz DPWOOBZYGZHGIV-UHFFFAOYSA-N 1 1 343.435 0.806 20 10 ECCDMO C[N@H+](CCN1CCCS1(=O)=O)Cc1cc2c(cc1O)OCO2 ZINC000751936181 579377751 /nfs/dbraw/zinc/37/77/51/579377751.db2.gz FWMWURMFNGVWEQ-UHFFFAOYSA-N 1 1 328.390 0.588 20 10 ECCDMO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cc2c(cc1O)OCO2 ZINC000751936181 579377752 /nfs/dbraw/zinc/37/77/52/579377752.db2.gz FWMWURMFNGVWEQ-UHFFFAOYSA-N 1 1 328.390 0.588 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000787998055 578825184 /nfs/dbraw/zinc/82/51/84/578825184.db2.gz VXOHGZZGBKGUAI-NVXWUHKLSA-N 1 1 335.448 0.386 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000787998055 578825186 /nfs/dbraw/zinc/82/51/86/578825186.db2.gz VXOHGZZGBKGUAI-NVXWUHKLSA-N 1 1 335.448 0.386 20 10 ECCDMO COCCNC(=O)CN1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768205415 579122985 /nfs/dbraw/zinc/12/29/85/579122985.db2.gz DOXRXNDGWCGJNU-UHFFFAOYSA-N 1 1 337.420 0.281 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000779217888 579314322 /nfs/dbraw/zinc/31/43/22/579314322.db2.gz JJRCOJJWKVGBTM-QZTJIDSGSA-N 1 1 349.475 0.635 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)N[C@H](C)C[NH3+])CC2)cc1 ZINC000841666550 588996927 /nfs/dbraw/zinc/99/69/27/588996927.db2.gz XQQZVILWYNFKIP-OAHLLOKOSA-N 1 1 349.479 0.854 20 10 ECCDMO CN(C)c1cc(F)c(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1F ZINC000895312825 586175806 /nfs/dbraw/zinc/17/58/06/586175806.db2.gz TUHLVDDYIKMMHT-AOOOYVTPSA-N 1 1 326.347 0.049 20 10 ECCDMO CCNC(=O)CN1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891590181 586179861 /nfs/dbraw/zinc/17/98/61/586179861.db2.gz XMXUYDXTOATBGM-UHFFFAOYSA-N 1 1 337.420 0.663 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000892051422 586218294 /nfs/dbraw/zinc/21/82/94/586218294.db2.gz RWTFXKVFWSJHKR-QGZVFWFLSA-N 1 1 331.464 0.975 20 10 ECCDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(OC)c(OC)c3O)CCN2C1=O ZINC000892218869 586236073 /nfs/dbraw/zinc/23/60/73/586236073.db2.gz WNCQTYSCIYZPFS-GFCCVEGCSA-N 1 1 349.387 0.878 20 10 ECCDMO CCOc1cccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)c1O ZINC000897285039 586294127 /nfs/dbraw/zinc/29/41/27/586294127.db2.gz RTULTEPIBTZAQU-GFCCVEGCSA-N 1 1 327.406 0.125 20 10 ECCDMO CCOc1cccc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)c1O ZINC000897285039 586294130 /nfs/dbraw/zinc/29/41/30/586294130.db2.gz RTULTEPIBTZAQU-GFCCVEGCSA-N 1 1 327.406 0.125 20 10 ECCDMO COc1cc(O)c(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1OC ZINC000897618879 586352021 /nfs/dbraw/zinc/35/20/21/586352021.db2.gz JPZFGUORFCMQSZ-TXEJJXNPSA-N 1 1 327.402 0.886 20 10 ECCDMO Oc1c(Br)cccc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000839179339 586840249 /nfs/dbraw/zinc/84/02/49/586840249.db2.gz LTHWHWQRPZARAG-JTQLQIEISA-N 1 1 327.182 0.897 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](O)C1(C)C)cc2=O ZINC000812864699 587244015 /nfs/dbraw/zinc/24/40/15/587244015.db2.gz IITCJAWUMVLIJJ-GFCCVEGCSA-N 1 1 334.376 0.957 20 10 ECCDMO CN(C)c1ccc(CNC(=O)CN2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000846878904 589227951 /nfs/dbraw/zinc/22/79/51/589227951.db2.gz UPXDZWZKLDBNKU-UHFFFAOYSA-N 1 1 342.447 0.914 20 10 ECCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)c1 ZINC000850507552 589368806 /nfs/dbraw/zinc/36/88/06/589368806.db2.gz JWBAIIVSQZGITA-SJCJKPOMSA-N 1 1 339.388 0.997 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCC(=O)O3)CC2)cc1 ZINC000865033744 590121480 /nfs/dbraw/zinc/12/14/80/590121480.db2.gz KNMRKATWXRJVPH-MRXNPFEDSA-N 1 1 347.415 0.639 20 10 ECCDMO C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1O ZINC000875068453 590267483 /nfs/dbraw/zinc/26/74/83/590267483.db2.gz NDHYGGBQBNDXNO-ZDUSSCGKSA-N 1 1 334.420 0.917 20 10 ECCDMO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876540299 590385750 /nfs/dbraw/zinc/38/57/50/590385750.db2.gz HZAWTCMXCYATRF-UHFFFAOYSA-N 1 1 347.459 0.938 20 10 ECCDMO O=C1NC[C@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)CCN12 ZINC000876799752 590416435 /nfs/dbraw/zinc/41/64/35/590416435.db2.gz KRZMOHIDHIYBCZ-INIZCTEOSA-N 1 1 330.432 0.857 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)CC2CN(S(C)(=O)=O)C2)cc1 ZINC000930849507 611473719 /nfs/dbraw/zinc/47/37/19/611473719.db2.gz MYQSGRGIUYIRLW-UHFFFAOYSA-N 1 1 341.477 0.955 20 10 ECCDMO Oc1ccc(CCNC(=S)NCCC[NH+]2CCOCC2)cc1O ZINC000916114548 609932244 /nfs/dbraw/zinc/93/22/44/609932244.db2.gz SKBNFNFIQCJGLI-UHFFFAOYSA-N 1 1 339.461 0.827 20 10 ECCDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000912709570 609991167 /nfs/dbraw/zinc/99/11/67/609991167.db2.gz PGKOQQMYUAHROV-MJGOQNOKSA-N 1 1 347.459 0.719 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN(C)[C@H](C)C[NH3+])CC2)cc1 ZINC000923289431 611225475 /nfs/dbraw/zinc/22/54/75/611225475.db2.gz ILYYKYMRSNXHKO-NVXWUHKLSA-N 1 1 336.480 0.457 20 10 ECCDMO C/C=C(/C)C(=O)NCC[NH2+]Cc1nnnn1-c1ccc(OC)cc1 ZINC001125444153 734100826 /nfs/dbraw/zinc/10/08/26/734100826.db2.gz SFRVKHFBMSOQMJ-QCDXTXTGSA-N 1 1 330.392 0.843 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)CC(C)(C)O)cc1 ZINC001126456610 742964183 /nfs/dbraw/zinc/96/41/83/742964183.db2.gz YHNKMOWEFVWUPN-UHFFFAOYSA-N 1 1 348.407 0.038 20 10 ECCDMO C[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004242353 749352440 /nfs/dbraw/zinc/35/24/40/749352440.db2.gz LARUJUACRWJGBB-SNVBAGLBSA-N 1 1 346.391 0.917 20 10 ECCDMO CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016367058 766191895 /nfs/dbraw/zinc/19/18/95/766191895.db2.gz HWQVCMIPYXMTAZ-MFKMUULPSA-N 1 1 346.391 0.788 20 10 ECCDMO CNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016367058 766191902 /nfs/dbraw/zinc/19/19/02/766191902.db2.gz HWQVCMIPYXMTAZ-MFKMUULPSA-N 1 1 346.391 0.788 20 10 ECCDMO Cc1nccc(N2CC=C(CCNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001089823700 767340470 /nfs/dbraw/zinc/34/04/70/767340470.db2.gz MJVWORHJWYTLQX-MRXNPFEDSA-N 1 1 345.447 0.758 20 10 ECCDMO Cc1nccc(N2CC=C(CCNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001089823700 767340480 /nfs/dbraw/zinc/34/04/80/767340480.db2.gz MJVWORHJWYTLQX-MRXNPFEDSA-N 1 1 345.447 0.758 20 10 ECCDMO CN(CC[NH2+]Cc1ncnn1C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267137516 836836821 /nfs/dbraw/zinc/83/68/21/836836821.db2.gz RNTZJOOISAMSFW-UHFFFAOYSA-N 1 1 344.379 0.839 20 10 ECCDMO COc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c1O ZINC000074134225 436106798 /nfs/dbraw/zinc/10/67/98/436106798.db2.gz WDQNHJYPHDHWKL-CYBMUJFWSA-N 1 1 336.436 0.836 20 10 ECCDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]([NH3+])CC(N)=O ZINC000269655882 436667759 /nfs/dbraw/zinc/66/77/59/436667759.db2.gz FJVCZEJFGMXFDZ-JTQLQIEISA-N 1 1 344.209 0.706 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](C)[C@@H]1CO)cc2=O ZINC000276024283 437045605 /nfs/dbraw/zinc/04/56/05/437045605.db2.gz KWUSZQPNRCOVFB-GWCFXTLKSA-N 1 1 334.376 0.814 20 10 ECCDMO C[N@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000299103730 437058581 /nfs/dbraw/zinc/05/85/81/437058581.db2.gz UKUQJPZXBRKKAS-UHFFFAOYSA-N 1 1 327.406 0.541 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cnn(C)c3)CC2)cc1 ZINC000299493806 437082361 /nfs/dbraw/zinc/08/23/61/437082361.db2.gz IMXLSZUAWJCGMD-UHFFFAOYSA-N 1 1 343.431 0.981 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H]1CCN(C)C1=O)cc2=O ZINC000265641932 437166727 /nfs/dbraw/zinc/16/67/27/437166727.db2.gz KBXUPSZCJIFOAW-GFCCVEGCSA-N 1 1 347.375 0.274 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@@H]1CCN(C)C1=O)cc2=O ZINC000265641932 437166733 /nfs/dbraw/zinc/16/67/33/437166733.db2.gz KBXUPSZCJIFOAW-GFCCVEGCSA-N 1 1 347.375 0.274 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC(N)=O)C(C)(C)C)cc2=O ZINC000268503916 437428516 /nfs/dbraw/zinc/42/85/16/437428516.db2.gz UABLZHANVIZFEK-UHFFFAOYSA-N 1 1 349.391 0.697 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC(N)=O)C(C)(C)C)cc2=O ZINC000268503916 437428519 /nfs/dbraw/zinc/42/85/19/437428519.db2.gz UABLZHANVIZFEK-UHFFFAOYSA-N 1 1 349.391 0.697 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000374167090 438191241 /nfs/dbraw/zinc/19/12/41/438191241.db2.gz ZHEFQDNMPITGOQ-IAGOWNOFSA-N 1 1 344.459 0.921 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000374167090 438191246 /nfs/dbraw/zinc/19/12/46/438191246.db2.gz ZHEFQDNMPITGOQ-IAGOWNOFSA-N 1 1 344.459 0.921 20 10 ECCDMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000376827139 438293761 /nfs/dbraw/zinc/29/37/61/438293761.db2.gz GNGBDIUOZXLZSH-FNORWQNLSA-N 1 1 347.415 0.734 20 10 ECCDMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000376827139 438293763 /nfs/dbraw/zinc/29/37/63/438293763.db2.gz GNGBDIUOZXLZSH-FNORWQNLSA-N 1 1 347.415 0.734 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)cc1 ZINC000377727574 438325307 /nfs/dbraw/zinc/32/53/07/438325307.db2.gz RVVKKPNSADLGSK-GDBMZVCRSA-N 1 1 330.432 0.437 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](CC(N)=O)C2)cc1 ZINC000377608279 438314506 /nfs/dbraw/zinc/31/45/06/438314506.db2.gz RFSHRPMEDZLHHR-HNNXBMFYSA-N 1 1 332.448 0.908 20 10 ECCDMO COCCNC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000038588823 523904366 /nfs/dbraw/zinc/90/43/66/523904366.db2.gz FNYTYOFEJFDHDW-UHFFFAOYSA-N 1 1 336.436 0.763 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000029695605 524410252 /nfs/dbraw/zinc/41/02/52/524410252.db2.gz GKFXSNQCMOYGLB-INIZCTEOSA-N 1 1 333.432 0.801 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@H](O)C[C@@H]3C)CC2)cc1 ZINC000754083252 579412638 /nfs/dbraw/zinc/41/26/38/579412638.db2.gz YFWZRNQLTUERRU-JQHSSLGASA-N 1 1 349.475 0.633 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+](C)C3CC(O)C3)CC2)cc1 ZINC000759870102 579499715 /nfs/dbraw/zinc/49/97/15/579499715.db2.gz PGSHKHFHSYKTDD-UHFFFAOYSA-N 1 1 333.432 0.799 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)C3CC(O)C3)CC2)cc1 ZINC000759870102 579499716 /nfs/dbraw/zinc/49/97/16/579499716.db2.gz PGSHKHFHSYKTDD-UHFFFAOYSA-N 1 1 333.432 0.799 20 10 ECCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N2CCNC(=O)C2)cc1 ZINC000781626880 578712260 /nfs/dbraw/zinc/71/22/60/578712260.db2.gz WVRVMYKHBULXGC-UHFFFAOYSA-N 1 1 332.448 0.923 20 10 ECCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)N2CCNC(=O)C2)cc1 ZINC000781626880 578712261 /nfs/dbraw/zinc/71/22/61/578712261.db2.gz WVRVMYKHBULXGC-UHFFFAOYSA-N 1 1 332.448 0.923 20 10 ECCDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000785426388 578768597 /nfs/dbraw/zinc/76/85/97/578768597.db2.gz XMHBXXXLMJGPOS-HNNXBMFYSA-N 1 1 348.447 0.206 20 10 ECCDMO COc1ccc(N2CCN(C(=O)CN3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000761079261 579521129 /nfs/dbraw/zinc/52/11/29/579521129.db2.gz SAWDLOLWTFSTEA-MRXNPFEDSA-N 1 1 346.475 0.980 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](O)C[C@@H]3C)CC2)cc1 ZINC000761111765 579521907 /nfs/dbraw/zinc/52/19/07/579521907.db2.gz DCDFXKLBVNEBOR-GOEBONIOSA-N 1 1 333.432 0.799 20 10 ECCDMO C[NH2+]CCOCCNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000892281178 586242104 /nfs/dbraw/zinc/24/21/04/586242104.db2.gz QPCMIKBZMBTYHS-UHFFFAOYSA-N 1 1 349.479 0.474 20 10 ECCDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000895025091 586425563 /nfs/dbraw/zinc/42/55/63/586425563.db2.gz MNGXDILGUXGRKG-CYBMUJFWSA-N 1 1 336.388 0.963 20 10 ECCDMO C/C=C/[C@@H](O)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000900405671 586629936 /nfs/dbraw/zinc/62/99/36/586629936.db2.gz BZDPEVHBDKXZBX-REMYHPOOSA-N 1 1 333.432 0.870 20 10 ECCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(CO)COCCN2C)c1 ZINC000903277529 586774106 /nfs/dbraw/zinc/77/41/06/586774106.db2.gz BCQIHZUMTHONKM-YVEFUNNKSA-N 1 1 338.404 0.523 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]C[C@H](O)C[C@]3(O)CCOC3)cc2)CC1 ZINC000905427850 586893837 /nfs/dbraw/zinc/89/38/37/586893837.db2.gz OGPBVIDVEOECCH-RTBURBONSA-N 1 1 349.475 0.430 20 10 ECCDMO Cn1ncc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000815117189 587282899 /nfs/dbraw/zinc/28/28/99/587282899.db2.gz NHIXNVBYJSIICP-CQSZACIVSA-N 1 1 328.420 0.807 20 10 ECCDMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850359527 589364857 /nfs/dbraw/zinc/36/48/57/589364857.db2.gz KCQJOLCDBVMCJW-HOTGVXAUSA-N 1 1 340.445 0.425 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC=C[C@H]3CO)CC2)cc1 ZINC000880483300 590395307 /nfs/dbraw/zinc/39/53/07/590395307.db2.gz FLPYZPHQOJELJJ-INIZCTEOSA-N 1 1 331.416 0.577 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC=C[C@H]3CO)CC2)cc1 ZINC000880483300 590395309 /nfs/dbraw/zinc/39/53/09/590395309.db2.gz FLPYZPHQOJELJJ-INIZCTEOSA-N 1 1 331.416 0.577 20 10 ECCDMO CNC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877193281 590444197 /nfs/dbraw/zinc/44/41/97/590444197.db2.gz ZHCMRVCVVJGWEQ-QGZVFWFLSA-N 1 1 333.432 0.595 20 10 ECCDMO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877193281 590444200 /nfs/dbraw/zinc/44/42/00/590444200.db2.gz ZHCMRVCVVJGWEQ-QGZVFWFLSA-N 1 1 333.432 0.595 20 10 ECCDMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1cccc(O)c1O ZINC000882634557 590566172 /nfs/dbraw/zinc/56/61/72/590566172.db2.gz DHKKYJRHQOSIOD-CQSZACIVSA-N 1 1 349.431 0.624 20 10 ECCDMO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@@H]3CO)CC2)cc1 ZINC000934015827 608787682 /nfs/dbraw/zinc/78/76/82/608787682.db2.gz GVQMONLZAHJOJN-IAGOWNOFSA-N 1 1 335.448 0.245 20 10 ECCDMO COCC[NH+](CCOC)C1CN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000911859843 609916509 /nfs/dbraw/zinc/91/65/09/609916509.db2.gz NRXXZCSDEXTCEE-UHFFFAOYSA-N 1 1 338.404 0.825 20 10 ECCDMO CN1C(=O)CN(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000182264668 610281938 /nfs/dbraw/zinc/28/19/38/610281938.db2.gz NYKXNNZHCIZJIB-UHFFFAOYSA-N 1 1 332.404 0.807 20 10 ECCDMO CN1C(=O)CN(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000182264668 610281939 /nfs/dbraw/zinc/28/19/39/610281939.db2.gz NYKXNNZHCIZJIB-UHFFFAOYSA-N 1 1 332.404 0.807 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@@H]2CCN(C(C)=O)[C@H]2C)cc1 ZINC000985860711 749226794 /nfs/dbraw/zinc/22/67/94/749226794.db2.gz QBPOZYDNADVHTL-XHDPSFHLSA-N 1 1 330.392 0.770 20 10 ECCDMO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253542 782566397 /nfs/dbraw/zinc/56/63/97/782566397.db2.gz GGSQVBBZTNDBDD-ZLKJLUDKSA-N 1 1 349.391 0.659 20 10 ECCDMO C[NH+](C)CCC(=O)NCCC1=CCN(c2ncnc3[nH]cnc32)CC1 ZINC001089857652 763258894 /nfs/dbraw/zinc/25/88/94/763258894.db2.gz QZUYFOSECTYPCG-UHFFFAOYSA-N 1 1 343.435 0.947 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)cc(OC)n1 ZINC001015100746 763879880 /nfs/dbraw/zinc/87/98/80/763879880.db2.gz DICMIMPIQDNRGO-OLZOCXBDSA-N 1 1 348.403 0.182 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)cc(OC)n1 ZINC001015100746 763879887 /nfs/dbraw/zinc/87/98/87/763879887.db2.gz DICMIMPIQDNRGO-OLZOCXBDSA-N 1 1 348.403 0.182 20 10 ECCDMO C[N@@H+]1CCO[C@@H](C(=O)NCCC2=CCN(c3cnc(F)cn3)CC2)C1 ZINC001089823220 767339746 /nfs/dbraw/zinc/33/97/46/767339746.db2.gz ANDAQXVFRHBOJI-CQSZACIVSA-N 1 1 349.410 0.589 20 10 ECCDMO C[N@H+]1CCO[C@@H](C(=O)NCCC2=CCN(c3cnc(F)cn3)CC2)C1 ZINC001089823220 767339751 /nfs/dbraw/zinc/33/97/51/767339751.db2.gz ANDAQXVFRHBOJI-CQSZACIVSA-N 1 1 349.410 0.589 20 10 ECCDMO CN(C)c1ccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000112119162 254492637 /nfs/dbraw/zinc/49/26/37/254492637.db2.gz NNXDCQXIHMQOSG-UHFFFAOYSA-N 1 1 346.475 0.729 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CC2(O)CCOCC2)cc1 ZINC000189776061 437610320 /nfs/dbraw/zinc/61/03/20/437610320.db2.gz ORSWFLZFHBBXFJ-UHFFFAOYSA-N 1 1 335.448 0.842 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCN2CCOCC2)cc1 ZINC000114463781 436641566 /nfs/dbraw/zinc/64/15/66/436641566.db2.gz WFVVRDZWBQSOJS-UHFFFAOYSA-N 1 1 334.464 0.633 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCN2CCOCC2)cc1 ZINC000114463781 436641567 /nfs/dbraw/zinc/64/15/67/436641567.db2.gz WFVVRDZWBQSOJS-UHFFFAOYSA-N 1 1 334.464 0.633 20 10 ECCDMO COCCNC(=O)CN1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000271021887 436678355 /nfs/dbraw/zinc/67/83/55/436678355.db2.gz CGOBEABETSGEMY-UHFFFAOYSA-N 1 1 337.420 0.281 20 10 ECCDMO COc1ccc(N2CCC[N@@H+](C[C@@H](O)CN3CCOCC3)CC2)cc1 ZINC000249745753 436826010 /nfs/dbraw/zinc/82/60/10/436826010.db2.gz ZMJIBABLMSHQCJ-GOSISDBHSA-N 1 1 349.475 0.900 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@](C)(C(N)=O)C1)cc2=O ZINC000280753976 436918596 /nfs/dbraw/zinc/91/85/96/436918596.db2.gz NNFBVZYOYOCZBL-INIZCTEOSA-N 1 1 347.375 0.309 20 10 ECCDMO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000295083723 436961453 /nfs/dbraw/zinc/96/14/53/436961453.db2.gz QQXCKKXSJOKUAV-SNVBAGLBSA-N 1 1 347.393 0.726 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000172294441 437007623 /nfs/dbraw/zinc/00/76/23/437007623.db2.gz IYTGMOLMCRIYKM-QGZVFWFLSA-N 1 1 335.448 0.842 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000172294441 437007625 /nfs/dbraw/zinc/00/76/25/437007625.db2.gz IYTGMOLMCRIYKM-QGZVFWFLSA-N 1 1 335.448 0.842 20 10 ECCDMO CN1CCCc2cc(CNC(=O)C(=O)NCC[N@@H+](C)C3CC3)ccc21 ZINC000285135873 437076575 /nfs/dbraw/zinc/07/65/75/437076575.db2.gz SKINZBAMZIOQMW-UHFFFAOYSA-N 1 1 344.459 0.896 20 10 ECCDMO C[C@H](O)C[N@H+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000299484406 437081736 /nfs/dbraw/zinc/08/17/36/437081736.db2.gz ZRNVLDBTTMGMBW-CVEARBPZSA-N 1 1 348.491 0.756 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCOC3)CC2)cc1 ZINC000299490793 437081891 /nfs/dbraw/zinc/08/18/91/437081891.db2.gz GNDSUTYCGRWYQQ-HNNXBMFYSA-N 1 1 333.432 0.970 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H](C)CO)CC2)cc1 ZINC000268675197 437433418 /nfs/dbraw/zinc/43/34/18/437433418.db2.gz CBJPHKDHQZSICX-AWEZNQCLSA-N 1 1 336.436 0.497 20 10 ECCDMO COc1ccc(N2CCC(N(C)C(=O)[C@@H]([NH3+])CC(N)=O)CC2)cc1 ZINC000364923724 437825911 /nfs/dbraw/zinc/82/59/11/437825911.db2.gz MCOYKLQYIMAXQS-HNNXBMFYSA-N 1 1 334.420 0.325 20 10 ECCDMO COc1cc(O)c(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1OC ZINC000372734554 438109901 /nfs/dbraw/zinc/10/99/01/438109901.db2.gz CIQSMNMVYCLJPK-NSHDSACASA-N 1 1 330.406 0.662 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1OC ZINC000372734554 438109906 /nfs/dbraw/zinc/10/99/06/438109906.db2.gz CIQSMNMVYCLJPK-NSHDSACASA-N 1 1 330.406 0.662 20 10 ECCDMO COC(=O)COc1ccc(N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000784554500 578754178 /nfs/dbraw/zinc/75/41/78/578754178.db2.gz KAMRVHJCRZFXCX-OAHLLOKOSA-N 1 1 338.404 0.368 20 10 ECCDMO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000785985246 578777853 /nfs/dbraw/zinc/77/78/53/578777853.db2.gz NOVKGFODCZBOGT-HNNXBMFYSA-N 1 1 325.434 0.386 20 10 ECCDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770160761 579161187 /nfs/dbraw/zinc/16/11/87/579161187.db2.gz CEVJALXEUAXDQE-GHMZBOCLSA-N 1 1 341.433 0.928 20 10 ECCDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770160761 579161189 /nfs/dbraw/zinc/16/11/89/579161189.db2.gz CEVJALXEUAXDQE-GHMZBOCLSA-N 1 1 341.433 0.928 20 10 ECCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCCS2(=O)=O)ccc1[N+](=O)[O-] ZINC000775036334 579261725 /nfs/dbraw/zinc/26/17/25/579261725.db2.gz FDQLOURURVHPQR-JTQLQIEISA-N 1 1 330.362 0.976 20 10 ECCDMO COc1cc(O)c(C[NH+]2CCN(CC(=O)N(C)C)CC2)cc1OC ZINC000775644911 579269464 /nfs/dbraw/zinc/26/94/64/579269464.db2.gz XINGEDLMERRTIR-UHFFFAOYSA-N 1 1 337.420 0.615 20 10 ECCDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841956587 589006758 /nfs/dbraw/zinc/00/67/58/589006758.db2.gz CQPVWFULRBMEEM-UHFFFAOYSA-N 1 1 347.463 0.617 20 10 ECCDMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCCCSc1nccs1 ZINC000842092016 589011467 /nfs/dbraw/zinc/01/14/67/589011467.db2.gz IUXRFKVZRBIQPC-UHFFFAOYSA-N 1 1 338.405 0.452 20 10 ECCDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842238467 589023986 /nfs/dbraw/zinc/02/39/86/589023986.db2.gz QUCZMHQYBNLERE-DOTOQJQBSA-N 1 1 344.459 0.870 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)NCC34CC(C3)C[NH2+]4)cc2)CC1 ZINC000892260696 586239549 /nfs/dbraw/zinc/23/95/49/586239549.db2.gz BZFCHHFIATWAKS-UHFFFAOYSA-N 1 1 343.475 0.990 20 10 ECCDMO COc1cc(Br)cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c1O ZINC000839167400 586839593 /nfs/dbraw/zinc/83/95/93/586839593.db2.gz YLZUNZNYUHIQLV-MWLCHTKSSA-N 1 1 332.194 0.948 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000803180708 587055698 /nfs/dbraw/zinc/05/56/98/587055698.db2.gz NBIOEEGKPIGELF-CYBMUJFWSA-N 1 1 348.422 0.861 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3ncc[nH]3)CC2)cc1 ZINC000824285618 587865549 /nfs/dbraw/zinc/86/55/49/587865549.db2.gz PMHAQCYTIGHUJR-UHFFFAOYSA-N 1 1 343.431 0.899 20 10 ECCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)c1 ZINC000827389810 588117930 /nfs/dbraw/zinc/11/79/30/588117930.db2.gz RPLZUVYQODNVEZ-CFVMTHIKSA-N 1 1 327.402 0.645 20 10 ECCDMO COc1ccc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)c1 ZINC000827389810 588117932 /nfs/dbraw/zinc/11/79/32/588117932.db2.gz RPLZUVYQODNVEZ-CFVMTHIKSA-N 1 1 327.402 0.645 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@@H](O)[C@H]3C)CC2)cc1 ZINC000832220599 588475379 /nfs/dbraw/zinc/47/53/79/588475379.db2.gz YZSGBYULOPSUHH-SZVBFZGTSA-N 1 1 349.475 0.633 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](O)C[C@H](C)C1)cc2=O ZINC000832717413 588500180 /nfs/dbraw/zinc/50/01/80/588500180.db2.gz HUTDWKHSIVQRQT-CMPLNLGQSA-N 1 1 334.376 0.814 20 10 ECCDMO C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000856211379 589657134 /nfs/dbraw/zinc/65/71/34/589657134.db2.gz NWTNILZAEXISAY-KRWDZBQOSA-N 1 1 333.432 0.595 20 10 ECCDMO C[N@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000856211379 589657136 /nfs/dbraw/zinc/65/71/36/589657136.db2.gz NWTNILZAEXISAY-KRWDZBQOSA-N 1 1 333.432 0.595 20 10 ECCDMO CN(C)c1ccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1F ZINC000858311793 589740946 /nfs/dbraw/zinc/74/09/46/589740946.db2.gz NPKGGRVWCCJVOS-UHFFFAOYSA-N 1 1 330.429 0.472 20 10 ECCDMO Nc1nc(N)[nH+]c(NCc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000858566871 589757403 /nfs/dbraw/zinc/75/74/03/589757403.db2.gz ITJHHBQSCZUFRJ-UHFFFAOYSA-N 1 1 337.334 0.763 20 10 ECCDMO O=C(C[N@H+]1C[C@@H]2C[C@]2(O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000880417914 590391685 /nfs/dbraw/zinc/39/16/85/590391685.db2.gz XIXNQOOJWRNNIA-KSSFIOAISA-N 1 1 349.406 0.345 20 10 ECCDMO O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000880417914 590391689 /nfs/dbraw/zinc/39/16/89/590391689.db2.gz XIXNQOOJWRNNIA-KSSFIOAISA-N 1 1 349.406 0.345 20 10 ECCDMO CO[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@](C)(CO)C1 ZINC000879259927 590574341 /nfs/dbraw/zinc/57/43/41/590574341.db2.gz RCQWAEYIZWQYKC-AEFFLSMTSA-N 1 1 335.448 0.841 20 10 ECCDMO CS(=O)(=O)N1CCN(CC[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000882980434 590600245 /nfs/dbraw/zinc/60/02/45/590600245.db2.gz JWACNOBBLGRJDI-UHFFFAOYSA-N 1 1 349.403 0.337 20 10 ECCDMO CN1CC(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)=NC1=O ZINC000918845614 610020748 /nfs/dbraw/zinc/02/07/48/610020748.db2.gz NEKBHVIFHRUYQB-UHFFFAOYSA-N 1 1 329.404 0.808 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]([NH3+])[C@@H]3C)CC2)cc1 ZINC000923367547 611233860 /nfs/dbraw/zinc/23/38/60/611233860.db2.gz HHNCSRODBLJVBC-IEZWGBDMSA-N 1 1 348.491 0.600 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN(C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000923409167 611239949 /nfs/dbraw/zinc/23/99/49/611239949.db2.gz KRFMTKLXVMVJHL-WBVHZDCISA-N 1 1 336.480 0.457 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)cc(OC)n1 ZINC001047104312 763672752 /nfs/dbraw/zinc/67/27/52/763672752.db2.gz SEMQJMAAYNBWMI-UHTWSYAYSA-N 1 1 348.403 0.167 20 10 ECCDMO C[N@@H+]1CCO[C@@H](C(=O)NCCC2=CCN(c3cc(F)ncn3)CC2)C1 ZINC001089823787 767333191 /nfs/dbraw/zinc/33/31/91/767333191.db2.gz PQFRFIGGGXEYNM-CQSZACIVSA-N 1 1 349.410 0.589 20 10 ECCDMO C[N@H+]1CCO[C@@H](C(=O)NCCC2=CCN(c3cc(F)ncn3)CC2)C1 ZINC001089823787 767333196 /nfs/dbraw/zinc/33/31/96/767333196.db2.gz PQFRFIGGGXEYNM-CQSZACIVSA-N 1 1 349.410 0.589 20 10 ECCDMO O=C1NC(=S)NC(=O)C1=CN[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000078382776 436267338 /nfs/dbraw/zinc/26/73/38/436267338.db2.gz SNMXMXVGGRCLIF-GFCCVEGCSA-N 1 1 330.413 0.265 20 10 ECCDMO COCC[NH+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000194606022 436669023 /nfs/dbraw/zinc/66/90/23/436669023.db2.gz HBOFLVCKHMVDRV-UHFFFAOYSA-N 1 1 334.464 0.633 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](O)[C@H](CC)C1)cc2=O ZINC000270872860 436675967 /nfs/dbraw/zinc/67/59/67/436675967.db2.gz JJXRNGXXUICVGG-MFKMUULPSA-N 1 1 334.376 0.814 20 10 ECCDMO CC[N@H+]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000271270722 436678596 /nfs/dbraw/zinc/67/85/96/436678596.db2.gz MKLPKVSRLUBQIB-UHFFFAOYSA-N 1 1 341.433 0.932 20 10 ECCDMO CCCOc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c(O)c1 ZINC000271276524 436679805 /nfs/dbraw/zinc/67/98/05/436679805.db2.gz OMDXWYSMWPNQEN-CYBMUJFWSA-N 1 1 333.388 0.324 20 10 ECCDMO CCCOc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)c(O)c1 ZINC000271276524 436679808 /nfs/dbraw/zinc/67/98/08/436679808.db2.gz OMDXWYSMWPNQEN-CYBMUJFWSA-N 1 1 333.388 0.324 20 10 ECCDMO C[C@@H](CO)[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000131993067 436858957 /nfs/dbraw/zinc/85/89/57/436858957.db2.gz VQYORKNQCQGFKQ-ZDUSSCGKSA-N 1 1 339.411 0.591 20 10 ECCDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000266947789 437268224 /nfs/dbraw/zinc/26/82/24/437268224.db2.gz SGSLGGCAYAQBBV-NSHDSACASA-N 1 1 341.433 0.835 20 10 ECCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCNC(=O)C1 ZINC000268100384 437366874 /nfs/dbraw/zinc/36/68/74/437366874.db2.gz NJCKFPGHIZNORD-OAHLLOKOSA-N 1 1 347.415 0.332 20 10 ECCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCNC(=O)C1 ZINC000268100384 437366881 /nfs/dbraw/zinc/36/68/81/437366881.db2.gz NJCKFPGHIZNORD-OAHLLOKOSA-N 1 1 347.415 0.332 20 10 ECCDMO Cc1cc(O)c(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)cc1C ZINC000289799079 437443240 /nfs/dbraw/zinc/44/32/40/437443240.db2.gz MOQXFJVOKITKID-UHFFFAOYSA-N 1 1 330.392 0.340 20 10 ECCDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000362621567 437747689 /nfs/dbraw/zinc/74/76/89/437747689.db2.gz JDZSDISENBSTAL-LBPRGKRZSA-N 1 1 344.433 0.923 20 10 ECCDMO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756709685 579453344 /nfs/dbraw/zinc/45/33/44/579453344.db2.gz YUHRFUNTBLQRED-JTQLQIEISA-N 1 1 330.406 0.769 20 10 ECCDMO CCNS(=O)(=O)CC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756709866 579453356 /nfs/dbraw/zinc/45/33/56/579453356.db2.gz YUHRFUNTBLQRED-SNVBAGLBSA-N 1 1 330.406 0.769 20 10 ECCDMO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000785986641 578777972 /nfs/dbraw/zinc/77/79/72/578777972.db2.gz VYGOYNYOUQAXGV-ZDUSSCGKSA-N 1 1 343.424 0.525 20 10 ECCDMO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000785986641 578777973 /nfs/dbraw/zinc/77/79/73/578777973.db2.gz VYGOYNYOUQAXGV-ZDUSSCGKSA-N 1 1 343.424 0.525 20 10 ECCDMO C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H](C)C[N@@H+]1C ZINC000770160764 579161216 /nfs/dbraw/zinc/16/12/16/579161216.db2.gz CEVJALXEUAXDQE-MNOVXSKESA-N 1 1 341.433 0.928 20 10 ECCDMO C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H](C)C[N@H+]1C ZINC000770160764 579161217 /nfs/dbraw/zinc/16/12/17/579161217.db2.gz CEVJALXEUAXDQE-MNOVXSKESA-N 1 1 341.433 0.928 20 10 ECCDMO COc1cc(O)c(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1OC ZINC000762176341 579538007 /nfs/dbraw/zinc/53/80/07/579538007.db2.gz URFUFPQAMWLNRZ-GFCCVEGCSA-N 1 1 344.433 0.923 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)cc1OC ZINC000762176341 579538009 /nfs/dbraw/zinc/53/80/09/579538009.db2.gz URFUFPQAMWLNRZ-GFCCVEGCSA-N 1 1 344.433 0.923 20 10 ECCDMO Cc1nc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n[nH]1 ZINC000896444438 586241811 /nfs/dbraw/zinc/24/18/11/586241811.db2.gz JOODQTQRHBXKLW-UHFFFAOYSA-N 1 1 343.435 0.864 20 10 ECCDMO CCOc1ccc(O)c(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1 ZINC000897285570 586294011 /nfs/dbraw/zinc/29/40/11/586294011.db2.gz YODIBSIKXZGPTE-LBPRGKRZSA-N 1 1 327.406 0.125 20 10 ECCDMO CCOc1ccc(O)c(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1 ZINC000897285570 586294013 /nfs/dbraw/zinc/29/40/13/586294013.db2.gz YODIBSIKXZGPTE-LBPRGKRZSA-N 1 1 327.406 0.125 20 10 ECCDMO Oc1c(Br)cccc1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000839179340 586840856 /nfs/dbraw/zinc/84/08/56/586840856.db2.gz LTHWHWQRPZARAG-SNVBAGLBSA-N 1 1 327.182 0.897 20 10 ECCDMO CN1CCN(c2ccc(CNC(=S)NCC[NH+](C)C)cc2)CC1 ZINC000905532149 586900504 /nfs/dbraw/zinc/90/05/04/586900504.db2.gz YHHDKFCFTKNQER-UHFFFAOYSA-N 1 1 335.521 0.964 20 10 ECCDMO CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000826707762 588079951 /nfs/dbraw/zinc/07/99/51/588079951.db2.gz XNTRZXJEQPHHCQ-OAHLLOKOSA-N 1 1 332.448 0.969 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000846920694 589229841 /nfs/dbraw/zinc/22/98/41/589229841.db2.gz NBRPGVUISHYILD-INIZCTEOSA-N 1 1 332.448 0.921 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000846920694 589229843 /nfs/dbraw/zinc/22/98/43/589229843.db2.gz NBRPGVUISHYILD-INIZCTEOSA-N 1 1 332.448 0.921 20 10 ECCDMO COc1ccc(N2CC[NH+](CCN3CCNC3=O)CC2)c(OC)c1 ZINC000879463452 590313152 /nfs/dbraw/zinc/31/31/52/590313152.db2.gz XADKJLGGZQXZSR-UHFFFAOYSA-N 1 1 334.420 0.851 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H](O)C[C@]2(C)CO)cc1 ZINC000878982549 590555223 /nfs/dbraw/zinc/55/52/23/590555223.db2.gz AUTSUPYTRQGHOE-FUHWJXTLSA-N 1 1 335.448 0.529 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@H](C)C2)cc(OC)n1 ZINC000947496417 608813157 /nfs/dbraw/zinc/81/31/57/608813157.db2.gz AQDIKZYAKSUKHP-PWSUYJOCSA-N 1 1 336.392 0.167 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@H](C)C2)cc(OC)n1 ZINC000947496417 608813161 /nfs/dbraw/zinc/81/31/61/608813161.db2.gz AQDIKZYAKSUKHP-PWSUYJOCSA-N 1 1 336.392 0.167 20 10 ECCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000154190797 609950305 /nfs/dbraw/zinc/95/03/05/609950305.db2.gz IEKFSTUVKBYFEI-LJQANCHMSA-N 1 1 349.475 0.648 20 10 ECCDMO COc1cc(C(=O)NC2C[NH+](C[C@@H]3C[C@]34CCOC4)C2)cc(OC)n1 ZINC001030615012 764294357 /nfs/dbraw/zinc/29/43/57/764294357.db2.gz VLWHVFOYRQKLOZ-UGSOOPFHSA-N 1 1 347.415 0.939 20 10 ECCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c1O ZINC000083245496 436371941 /nfs/dbraw/zinc/37/19/41/436371941.db2.gz CQMXXBOIERXBHL-HNNXBMFYSA-N 1 1 340.395 0.859 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)CCn1cccn1)cc2=O ZINC000111281666 436630972 /nfs/dbraw/zinc/63/09/72/436630972.db2.gz SJSNFRCQXHXPNN-UHFFFAOYSA-N 1 1 344.375 0.940 20 10 ECCDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000271245636 436679936 /nfs/dbraw/zinc/67/99/36/436679936.db2.gz GDULZOXPKJAJTI-GFCCVEGCSA-N 1 1 344.433 0.923 20 10 ECCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCNS(C)(=O)=O)c1 ZINC000273437091 436755176 /nfs/dbraw/zinc/75/51/76/436755176.db2.gz XHKWSQJHBDQCOU-SNVBAGLBSA-N 1 1 330.406 0.769 20 10 ECCDMO CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000280290286 436878067 /nfs/dbraw/zinc/87/80/67/436878067.db2.gz RECZKXHYAPKNPC-UHFFFAOYSA-N 1 1 339.417 0.755 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000283701357 437032426 /nfs/dbraw/zinc/03/24/26/437032426.db2.gz YYUIFNQCTOJQDD-UHFFFAOYSA-N 1 1 348.447 0.207 20 10 ECCDMO C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N1CC[NH+](C)CC1 ZINC000299563109 437089372 /nfs/dbraw/zinc/08/93/72/437089372.db2.gz BCSZIXDPKXMZNX-INIZCTEOSA-N 1 1 346.475 0.775 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C[C@@H](C)C(=O)NC)cc2=O ZINC000267083888 437286824 /nfs/dbraw/zinc/28/68/24/437286824.db2.gz KACMNIGDFGWYKC-SNVBAGLBSA-N 1 1 349.391 0.426 20 10 ECCDMO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]2N1 ZINC000377225404 438306267 /nfs/dbraw/zinc/30/62/67/438306267.db2.gz QJRSXXZNRWLUOZ-IAGOWNOFSA-N 1 1 331.416 0.613 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CCCOCC3)CC2)cc1 ZINC000754031330 579411335 /nfs/dbraw/zinc/41/13/35/579411335.db2.gz HAJDIPLEXGCYBX-SFHVURJKSA-N 1 1 349.475 0.900 20 10 ECCDMO C[N@H+]1CC[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000729526175 578296722 /nfs/dbraw/zinc/29/67/22/578296722.db2.gz ZBFQDABQZKEXIO-CVEARBPZSA-N 1 1 344.459 0.956 20 10 ECCDMO COC(=O)c1cn(CC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)nn1 ZINC000793564043 578931303 /nfs/dbraw/zinc/93/13/03/578931303.db2.gz BJFCCHOAOLXDNW-JTQLQIEISA-N 1 1 348.359 0.908 20 10 ECCDMO Oc1cc2c(cc1C[NH+]1CCN(c3ncccn3)CC1)[C@H](O)CO2 ZINC000768438633 579125592 /nfs/dbraw/zinc/12/55/92/579125592.db2.gz WHHSVWDIHMQJPT-OAHLLOKOSA-N 1 1 328.372 0.930 20 10 ECCDMO COc1c(O)c(C[NH2+]CC2CN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000775088031 579262242 /nfs/dbraw/zinc/26/22/42/579262242.db2.gz DLZIOWAHHOOJFO-UHFFFAOYSA-N 1 1 345.377 0.290 20 10 ECCDMO C[N@H+]1CC[C@@](O)(CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000763092891 579555300 /nfs/dbraw/zinc/55/53/00/579555300.db2.gz YDHRHGPIBXQIDR-GOSISDBHSA-N 1 1 330.432 0.929 20 10 ECCDMO C[N@@H+](CCCS(N)(=O)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000738298227 579617516 /nfs/dbraw/zinc/61/75/16/579617516.db2.gz FLVJQCHMUMDUIF-UHFFFAOYSA-N 1 1 327.450 0.634 20 10 ECCDMO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000895703706 586199240 /nfs/dbraw/zinc/19/92/40/586199240.db2.gz NZYQZYIKGAVASU-GOSISDBHSA-N 1 1 333.432 0.548 20 10 ECCDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000895703706 586199241 /nfs/dbraw/zinc/19/92/41/586199241.db2.gz NZYQZYIKGAVASU-GOSISDBHSA-N 1 1 333.432 0.548 20 10 ECCDMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000897791345 586370852 /nfs/dbraw/zinc/37/08/52/586370852.db2.gz KCSNKPRHUDJJGB-INIZCTEOSA-N 1 1 332.448 0.888 20 10 ECCDMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000897791345 586370854 /nfs/dbraw/zinc/37/08/54/586370854.db2.gz KCSNKPRHUDJJGB-INIZCTEOSA-N 1 1 332.448 0.888 20 10 ECCDMO CNC(=O)NC1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000839665801 586886289 /nfs/dbraw/zinc/88/62/89/586886289.db2.gz JUHJGJLGJWJBKC-UHFFFAOYSA-N 1 1 347.463 0.762 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000803664948 587065420 /nfs/dbraw/zinc/06/54/20/587065420.db2.gz UGWLBUJNNKNQEE-ZDUSSCGKSA-N 1 1 336.411 0.718 20 10 ECCDMO C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806282287 587092463 /nfs/dbraw/zinc/09/24/63/587092463.db2.gz JTJFKOOSFIKXBK-NSHDSACASA-N 1 1 342.490 0.952 20 10 ECCDMO COC(=O)[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+](C)C1 ZINC000840244058 587229781 /nfs/dbraw/zinc/22/97/81/587229781.db2.gz JEOLHPOQPVBPKY-HNNXBMFYSA-N 1 1 348.447 0.999 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000817274917 587337894 /nfs/dbraw/zinc/33/78/94/587337894.db2.gz SJPUUWURPKNNSC-MRXNPFEDSA-N 1 1 332.448 0.921 20 10 ECCDMO CCN1CCN(CC(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000844162994 589097049 /nfs/dbraw/zinc/09/70/49/589097049.db2.gz QVOLACWYRGFORV-KRWDZBQOSA-N 1 1 333.480 0.506 20 10 ECCDMO CN1CCN(C[C@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)CC1 ZINC000819094821 587468325 /nfs/dbraw/zinc/46/83/25/587468325.db2.gz NGTLOHGSZBSOMC-LJQANCHMSA-N 1 1 330.476 0.761 20 10 ECCDMO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000819695994 587485756 /nfs/dbraw/zinc/48/57/56/587485756.db2.gz HHRHQTCUUCDCAU-HNNXBMFYSA-N 1 1 336.388 0.615 20 10 ECCDMO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000819695994 587485758 /nfs/dbraw/zinc/48/57/58/587485758.db2.gz HHRHQTCUUCDCAU-HNNXBMFYSA-N 1 1 336.388 0.615 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[NH+]3CC(C)(C(N)=O)C3)CC2)cc1 ZINC000829038451 588313101 /nfs/dbraw/zinc/31/31/01/588313101.db2.gz IRTQOUTYCSCQTI-UHFFFAOYSA-N 1 1 346.431 0.151 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000844400196 589110292 /nfs/dbraw/zinc/11/02/92/589110292.db2.gz WZCXRTJWXVMCTI-QGZVFWFLSA-N 1 1 337.464 0.756 20 10 ECCDMO COc1c(O)c(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000846033713 589182726 /nfs/dbraw/zinc/18/27/26/589182726.db2.gz MMQNWDGSLVUEPV-JTQLQIEISA-N 1 1 345.377 0.433 20 10 ECCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000846185750 589190665 /nfs/dbraw/zinc/19/06/65/589190665.db2.gz DDBLUAWOJOAOQZ-CMPLNLGQSA-N 1 1 342.417 0.863 20 10 ECCDMO COc1ccc(O)c(CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000114596996 589674409 /nfs/dbraw/zinc/67/44/09/589674409.db2.gz CPAUZZQEUXBLCD-CYBMUJFWSA-N 1 1 336.436 0.836 20 10 ECCDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1ccc(N2CCOCC2)cc1 ZINC000875141929 590275050 /nfs/dbraw/zinc/27/50/50/590275050.db2.gz YXCLUQYRNZHLNV-QGZVFWFLSA-N 1 1 348.447 0.389 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[C@H]3OC)CC2)cc1 ZINC000930941824 611485427 /nfs/dbraw/zinc/48/54/27/611485427.db2.gz ZGZCFRJOVFCFIB-IAGOWNOFSA-N 1 1 333.432 0.968 20 10 ECCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931871232 611577993 /nfs/dbraw/zinc/57/79/93/611577993.db2.gz YJSJPGXDCSQOQF-MRXNPFEDSA-N 1 1 332.448 0.921 20 10 ECCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931871232 611577995 /nfs/dbraw/zinc/57/79/95/611577995.db2.gz YJSJPGXDCSQOQF-MRXNPFEDSA-N 1 1 332.448 0.921 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000923281832 611224303 /nfs/dbraw/zinc/22/43/03/611224303.db2.gz RAUIGHHFPLOOJT-DOTOQJQBSA-N 1 1 334.464 0.211 20 10 ECCDMO COc1cc(C(=O)NC2C[NH+](C[C@@H]3CCCOC3)C2)cc(OC)n1 ZINC001030612546 764278984 /nfs/dbraw/zinc/27/89/84/764278984.db2.gz SGZGAYDPOAFUSW-LBPRGKRZSA-N 1 1 335.404 0.939 20 10 ECCDMO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052964203 765424154 /nfs/dbraw/zinc/42/41/54/765424154.db2.gz FAVFZVXOSGOWTH-LBPRGKRZSA-N 1 1 346.391 0.919 20 10 ECCDMO CCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2-c2ccc(OC)cc2)C1 ZINC001018378240 769251594 /nfs/dbraw/zinc/25/15/94/769251594.db2.gz FVGOQDBJNLBMRI-LBPRGKRZSA-N 1 1 330.392 0.771 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](O)[C@@H](CC)C1)cc2=O ZINC000270872850 436676421 /nfs/dbraw/zinc/67/64/21/436676421.db2.gz JJXRNGXXUICVGG-GWCFXTLKSA-N 1 1 334.376 0.814 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000283630441 437031395 /nfs/dbraw/zinc/03/13/95/437031395.db2.gz WOKADCHTVUUVJH-OAHLLOKOSA-N 1 1 344.459 0.969 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@H]3[NH2+]CCO[C@@H]3C)CC2)cc1F ZINC000284801171 437073585 /nfs/dbraw/zinc/07/35/85/437073585.db2.gz MJEAPUZUGBAJPS-WBMJQRKESA-N 1 1 337.395 0.860 20 10 ECCDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000285046763 437075661 /nfs/dbraw/zinc/07/56/61/437075661.db2.gz WLJORTRVISTDNR-PBHICJAKSA-N 1 1 333.432 0.859 20 10 ECCDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1OC ZINC000292100989 437658808 /nfs/dbraw/zinc/65/88/08/437658808.db2.gz PCMUIISTLBVYRE-GFCCVEGCSA-N 1 1 344.433 0.875 20 10 ECCDMO O=C1COc2cc([N+](=O)[O-])c(N3CC[NH+]([C@@H]4CCOC4)CC3)cc2N1 ZINC000366780739 438127083 /nfs/dbraw/zinc/12/70/83/438127083.db2.gz QKJZLAGMKUMVPA-LLVKDONJSA-N 1 1 348.359 0.837 20 10 ECCDMO COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000729921681 578300039 /nfs/dbraw/zinc/30/00/39/578300039.db2.gz SBVPMKMLGLZFMY-MRXNPFEDSA-N 1 1 346.475 0.885 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000787998063 578825248 /nfs/dbraw/zinc/82/52/48/578825248.db2.gz VXOHGZZGBKGUAI-WBVHZDCISA-N 1 1 335.448 0.386 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000787998063 578825249 /nfs/dbraw/zinc/82/52/49/578825249.db2.gz VXOHGZZGBKGUAI-WBVHZDCISA-N 1 1 335.448 0.386 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@H](CO)C3)CC2)cc1 ZINC000779221937 579314380 /nfs/dbraw/zinc/31/43/80/579314380.db2.gz DJQHVXIMTPTKAX-FUHWJXTLSA-N 1 1 349.475 0.492 20 10 ECCDMO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000760549435 579512549 /nfs/dbraw/zinc/51/25/49/579512549.db2.gz KOLPHQKBBPSEGL-WFASDCNBSA-N 1 1 333.388 0.854 20 10 ECCDMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCCSc2nccs2)C1 ZINC000763144506 579556044 /nfs/dbraw/zinc/55/60/44/579556044.db2.gz XTDFLSGYXZHBRK-CYBMUJFWSA-N 1 1 330.479 0.991 20 10 ECCDMO C[C@@H](C(=O)NC1CC1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000836428442 588930864 /nfs/dbraw/zinc/93/08/64/588930864.db2.gz LHJFGXLBBBPDEZ-LBPRGKRZSA-N 1 1 347.415 0.906 20 10 ECCDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841002548 588976035 /nfs/dbraw/zinc/97/60/35/588976035.db2.gz ZTGWFPBIWVZHCQ-HNNXBMFYSA-N 1 1 334.420 0.680 20 10 ECCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1F ZINC000895315052 586175265 /nfs/dbraw/zinc/17/52/65/586175265.db2.gz WRZONMXUQWQPFR-BETUJISGSA-N 1 1 336.411 0.691 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)NCC[NH2+]C3CC3)cc2)CC1 ZINC000891985228 586212053 /nfs/dbraw/zinc/21/20/53/586212053.db2.gz ZGLXBFYWVJWNMK-UHFFFAOYSA-N 1 1 331.464 0.990 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000892017776 586215414 /nfs/dbraw/zinc/21/54/14/586215414.db2.gz XJVMGRKMECRYGB-MRXNPFEDSA-N 1 1 331.464 0.990 20 10 ECCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892237880 586237960 /nfs/dbraw/zinc/23/79/60/586237960.db2.gz SPGMSXGKWGAPRG-NSHDSACASA-N 1 1 330.406 0.533 20 10 ECCDMO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000892306170 586244958 /nfs/dbraw/zinc/24/49/58/586244958.db2.gz STKJXJQSVXRZRQ-WMLDXEAASA-N 1 1 331.464 0.988 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[C@@H]3C(N)=O)CC2)cc1 ZINC000900407133 586629946 /nfs/dbraw/zinc/62/99/46/586629946.db2.gz PDHRXZXIQOGFTN-JKSUJKDBSA-N 1 1 346.431 0.055 20 10 ECCDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000901131826 586696958 /nfs/dbraw/zinc/69/69/58/586696958.db2.gz PPOMAYMSBQRTNL-ZDUSSCGKSA-N 1 1 336.388 0.989 20 10 ECCDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000901131826 586696960 /nfs/dbraw/zinc/69/69/60/586696960.db2.gz PPOMAYMSBQRTNL-ZDUSSCGKSA-N 1 1 336.388 0.989 20 10 ECCDMO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839590384 586881006 /nfs/dbraw/zinc/88/10/06/586881006.db2.gz UIMPHRZXCZJCGS-RHSMWYFYSA-N 1 1 335.448 0.841 20 10 ECCDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839590384 586881008 /nfs/dbraw/zinc/88/10/08/586881008.db2.gz UIMPHRZXCZJCGS-RHSMWYFYSA-N 1 1 335.448 0.841 20 10 ECCDMO COC[C@@H]1CC[N@H+]1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000815127601 587283107 /nfs/dbraw/zinc/28/31/07/587283107.db2.gz CBYBZJIXORBDLL-ROUUACIJSA-N 1 1 349.475 0.899 20 10 ECCDMO COC[C@@H]1CCN1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815127601 587283108 /nfs/dbraw/zinc/28/31/08/587283108.db2.gz CBYBZJIXORBDLL-ROUUACIJSA-N 1 1 349.475 0.899 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](O)CC[C@@H]1C)cc2=O ZINC000817287864 587338134 /nfs/dbraw/zinc/33/81/34/587338134.db2.gz GGTJLNGPEDSUGI-JQWIXIFHSA-N 1 1 334.376 0.957 20 10 ECCDMO COc1c(O)c(C[NH2+][C@H]2CCc3nnnn3CC2)ccc1[N+](=O)[O-] ZINC000817418665 587341668 /nfs/dbraw/zinc/34/16/68/587341668.db2.gz BBGDOXQPBNYBNG-JTQLQIEISA-N 1 1 334.336 0.790 20 10 ECCDMO CN1CCN(C[C@@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000818973718 587462871 /nfs/dbraw/zinc/46/28/71/587462871.db2.gz VZIMDFLEJNWDQS-IBGZPJMESA-N 1 1 348.491 0.221 20 10 ECCDMO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000819584072 587483270 /nfs/dbraw/zinc/48/32/70/587483270.db2.gz CWRGKTUZLDKULT-YOEHRIQHSA-N 1 1 333.432 0.968 20 10 ECCDMO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000819584072 587483271 /nfs/dbraw/zinc/48/32/71/587483271.db2.gz CWRGKTUZLDKULT-YOEHRIQHSA-N 1 1 333.432 0.968 20 10 ECCDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825688268 587956600 /nfs/dbraw/zinc/95/66/00/587956600.db2.gz GXIJGMFEVFQFTH-SNVBAGLBSA-N 1 1 339.367 0.554 20 10 ECCDMO C[NH2+][C@@H](C)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000848416069 589292917 /nfs/dbraw/zinc/29/29/17/589292917.db2.gz XUOBRJHWQNVGJK-HNNXBMFYSA-N 1 1 334.464 0.931 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000852497122 589498771 /nfs/dbraw/zinc/49/87/71/589498771.db2.gz UAUQIRURUFJMBV-NVXWUHKLSA-N 1 1 344.459 0.969 20 10 ECCDMO C[C@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(F)cc(F)c1O ZINC000866551541 589749297 /nfs/dbraw/zinc/74/92/97/589749297.db2.gz AQMXHYVXARJLQG-MGPLVRAMSA-N 1 1 342.342 0.949 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC=C[C@@H]3CO)CC2)cc1 ZINC000880489932 590396402 /nfs/dbraw/zinc/39/64/02/590396402.db2.gz ZFPJNJXJQYRHDO-MSOLQXFVSA-N 1 1 347.459 0.411 20 10 ECCDMO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC=C[C@@H]3CO)CC2)cc1 ZINC000880489932 590396405 /nfs/dbraw/zinc/39/64/05/590396405.db2.gz ZFPJNJXJQYRHDO-MSOLQXFVSA-N 1 1 347.459 0.411 20 10 ECCDMO C[NH+]1CCN(c2ccc(CNC(=O)CCc3c[nH]nn3)cc2)CC1 ZINC000881853339 590481233 /nfs/dbraw/zinc/48/12/33/590481233.db2.gz RYMONRCZIIXADK-UHFFFAOYSA-N 1 1 328.420 0.806 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@H](O)C[C@@]2(C)CO)cc1 ZINC000878982548 590555436 /nfs/dbraw/zinc/55/54/36/590555436.db2.gz AUTSUPYTRQGHOE-AEFFLSMTSA-N 1 1 335.448 0.529 20 10 ECCDMO CN(Cc1nnc[nH]1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889663712 591069886 /nfs/dbraw/zinc/06/98/86/591069886.db2.gz ULZYMMSKNOOBPE-UHFFFAOYSA-N 1 1 343.435 0.898 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC000923365575 611233844 /nfs/dbraw/zinc/23/38/44/611233844.db2.gz GCJISRBWRBPVBL-VDZJLULYSA-N 1 1 348.491 0.457 20 10 ECCDMO Cc1nccc(N2CC=C(CCNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)n1 ZINC001089823694 767340841 /nfs/dbraw/zinc/34/08/41/767340841.db2.gz MJVWORHJWYTLQX-INIZCTEOSA-N 1 1 345.447 0.758 20 10 ECCDMO Cc1nccc(N2CC=C(CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)n1 ZINC001089823694 767340843 /nfs/dbraw/zinc/34/08/43/767340843.db2.gz MJVWORHJWYTLQX-INIZCTEOSA-N 1 1 345.447 0.758 20 10 ECCDMO C[C@H](O)C[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000131094339 436848930 /nfs/dbraw/zinc/84/89/30/436848930.db2.gz ARXRKPLQIKUJOS-ZDUSSCGKSA-N 1 1 339.411 0.591 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3COC(=O)N3)CC2)cc1 ZINC000294774266 436960934 /nfs/dbraw/zinc/96/09/34/436960934.db2.gz RHGVEMUTYPSJMZ-HNNXBMFYSA-N 1 1 348.403 0.042 20 10 ECCDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCN2C1=O ZINC000362016058 437713197 /nfs/dbraw/zinc/71/31/97/437713197.db2.gz YFZGZGLZTGILQV-LLVKDONJSA-N 1 1 333.344 0.589 20 10 ECCDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000372737248 438110097 /nfs/dbraw/zinc/11/00/97/438110097.db2.gz HSNGILHKEQQSLU-MRXNPFEDSA-N 1 1 339.461 0.776 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)CC3OCCO3)CC2)cc1 ZINC000793245952 578924642 /nfs/dbraw/zinc/92/46/42/578924642.db2.gz FGBACIHDKZAACI-UHFFFAOYSA-N 1 1 349.431 0.696 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H](C)[C@@H](O)C3)CC2)cc1 ZINC000768772591 579131314 /nfs/dbraw/zinc/13/13/14/579131314.db2.gz ZZRYAEPKEHKXGB-PBHICJAKSA-N 1 1 333.432 0.656 20 10 ECCDMO COc1c(O)c(C[NH2+]C[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000774950270 579260042 /nfs/dbraw/zinc/26/00/42/579260042.db2.gz NQPRYQOFUYLZMW-SECBINFHSA-N 1 1 330.362 0.833 20 10 ECCDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000760549430 579512553 /nfs/dbraw/zinc/51/25/53/579512553.db2.gz KOLPHQKBBPSEGL-IUODEOHRSA-N 1 1 333.388 0.854 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)NC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000891998295 586213644 /nfs/dbraw/zinc/21/36/44/586213644.db2.gz BFLZZXYRACWICH-MRXNPFEDSA-N 1 1 331.464 0.990 20 10 ECCDMO COc1c([O-])c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000843121174 589051522 /nfs/dbraw/zinc/05/15/22/589051522.db2.gz GEBKQULYQJUWMU-CYBMUJFWSA-N 1 1 336.392 0.789 20 10 ECCDMO COc1c([O-])c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000843121174 589051524 /nfs/dbraw/zinc/05/15/24/589051524.db2.gz GEBKQULYQJUWMU-CYBMUJFWSA-N 1 1 336.392 0.789 20 10 ECCDMO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843122761 589051802 /nfs/dbraw/zinc/05/18/02/589051802.db2.gz DUYFYQFEIRTEGY-GOSISDBHSA-N 1 1 346.475 0.775 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@]3(O)CCOC3)CC2)cc1 ZINC000840294654 587260519 /nfs/dbraw/zinc/26/05/19/587260519.db2.gz RFQDAZDQRLYMRY-GOSISDBHSA-N 1 1 349.431 0.085 20 10 ECCDMO CN1CCN(C[C@H](O)C[NH2+]CCCSc2nccs2)CC1 ZINC000819063430 587466299 /nfs/dbraw/zinc/46/62/99/587466299.db2.gz MXCTWGMGMUNTCL-CYBMUJFWSA-N 1 1 330.523 0.823 20 10 ECCDMO COC(=O)[C@]1(O)CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000880560591 590403595 /nfs/dbraw/zinc/40/35/95/590403595.db2.gz ZWPQNPMUCPNHRK-SFHVURJKSA-N 1 1 349.431 0.321 20 10 ECCDMO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000880560591 590403596 /nfs/dbraw/zinc/40/35/96/590403596.db2.gz ZWPQNPMUCPNHRK-SFHVURJKSA-N 1 1 349.431 0.321 20 10 ECCDMO C[N@H+](CCS(N)(=O)=O)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877825921 590483484 /nfs/dbraw/zinc/48/34/84/590483484.db2.gz IUOQXPXNJGZMCF-UHFFFAOYSA-N 1 1 327.450 0.368 20 10 ECCDMO C[N@@H+](CCS(N)(=O)=O)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877825921 590483488 /nfs/dbraw/zinc/48/34/88/590483488.db2.gz IUOQXPXNJGZMCF-UHFFFAOYSA-N 1 1 327.450 0.368 20 10 ECCDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842243522 611313077 /nfs/dbraw/zinc/31/30/77/611313077.db2.gz ZHQJNRKJUJHUFH-INIZCTEOSA-N 1 1 332.448 0.726 20 10 ECCDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842243522 611313079 /nfs/dbraw/zinc/31/30/79/611313079.db2.gz ZHQJNRKJUJHUFH-INIZCTEOSA-N 1 1 332.448 0.726 20 10 ECCDMO Cc1ccc(O)c(C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC000091928806 612532032 /nfs/dbraw/zinc/53/20/32/612532032.db2.gz ONPJAHCRINTDBN-UHFFFAOYSA-N 1 1 331.416 0.967 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)cc1 ZINC001083288691 740302894 /nfs/dbraw/zinc/30/28/94/740302894.db2.gz UHPVCRXOVXMHHE-UONOGXRCSA-N 1 1 347.375 0.367 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)cc1 ZINC001083288691 740302896 /nfs/dbraw/zinc/30/28/96/740302896.db2.gz UHPVCRXOVXMHHE-UONOGXRCSA-N 1 1 347.375 0.367 20 10 ECCDMO NC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013761 743191024 /nfs/dbraw/zinc/19/10/24/743191024.db2.gz GQNJSIPNMPEMOD-SNVBAGLBSA-N 1 1 332.364 0.386 20 10 ECCDMO Cc1ccc(N2CC=C(CCNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)nn1 ZINC001089823202 767339791 /nfs/dbraw/zinc/33/97/91/767339791.db2.gz ABUFFYPYCXKDFV-INIZCTEOSA-N 1 1 345.447 0.758 20 10 ECCDMO Cc1ccc(N2CC=C(CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)nn1 ZINC001089823202 767339796 /nfs/dbraw/zinc/33/97/96/767339796.db2.gz ABUFFYPYCXKDFV-INIZCTEOSA-N 1 1 345.447 0.758 20 10 ECCDMO CNC(=O)C[NH+]1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272358999 254535814 /nfs/dbraw/zinc/53/58/14/254535814.db2.gz BTQXNSJIRFFRIW-HWKANZROSA-N 1 1 333.388 0.438 20 10 ECCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092067921 436467554 /nfs/dbraw/zinc/46/75/54/436467554.db2.gz GIKPBUWWVVQTFW-INIZCTEOSA-N 1 1 339.461 0.647 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC(N)=O)CC(C)C)cc2=O ZINC000052536105 436509401 /nfs/dbraw/zinc/50/94/01/436509401.db2.gz BGRGGWJZYRZKDE-UHFFFAOYSA-N 1 1 349.391 0.555 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC(N)=O)CC(C)C)cc2=O ZINC000052536105 436509402 /nfs/dbraw/zinc/50/94/02/436509402.db2.gz BGRGGWJZYRZKDE-UHFFFAOYSA-N 1 1 349.391 0.555 20 10 ECCDMO CC(C)[NH+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000066484129 436686534 /nfs/dbraw/zinc/68/65/34/436686534.db2.gz PTCIPDDCPFHLGO-UHFFFAOYSA-N 1 1 341.433 0.930 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](NC(N)=O)C2)cc1 ZINC000270568009 436673986 /nfs/dbraw/zinc/67/39/86/436673986.db2.gz AEQMYXGXUCVMOE-CQSZACIVSA-N 1 1 333.436 0.454 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1 ZINC000270568009 436673989 /nfs/dbraw/zinc/67/39/89/436673989.db2.gz AEQMYXGXUCVMOE-CQSZACIVSA-N 1 1 333.436 0.454 20 10 ECCDMO Cc1ccc(C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c(O)c1O ZINC000272707534 436720235 /nfs/dbraw/zinc/72/02/35/436720235.db2.gz CTJWSXSCDFACGK-UHFFFAOYSA-N 1 1 335.404 0.642 20 10 ECCDMO C[C@@H](O)C[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000131094572 436846820 /nfs/dbraw/zinc/84/68/20/436846820.db2.gz ARXRKPLQIKUJOS-CYBMUJFWSA-N 1 1 339.411 0.591 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CCOCC3)CC2)cc1 ZINC000299515203 437085387 /nfs/dbraw/zinc/08/53/87/437085387.db2.gz VNGDONADAVGSJL-UHFFFAOYSA-N 1 1 348.447 0.859 20 10 ECCDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000278736373 437339552 /nfs/dbraw/zinc/33/95/52/437339552.db2.gz QZDMCJUOWOWAHG-GXTWGEPZSA-N 1 1 339.388 0.967 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](O)C[C@@H]1C)cc2=O ZINC000292282682 437675825 /nfs/dbraw/zinc/67/58/25/437675825.db2.gz BWPOXLUQYTYNNR-JQWIXIFHSA-N 1 1 334.376 0.957 20 10 ECCDMO COc1ccc(N2CCC(N(C)C(=O)[C@H]([NH3+])CC(N)=O)CC2)cc1 ZINC000364923727 437827478 /nfs/dbraw/zinc/82/74/78/437827478.db2.gz MCOYKLQYIMAXQS-OAHLLOKOSA-N 1 1 334.420 0.325 20 10 ECCDMO COC(=O)CNC(=O)C[N@@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000370865662 437852011 /nfs/dbraw/zinc/85/20/11/437852011.db2.gz XCOCOPACDGZOKB-UHFFFAOYSA-N 1 1 349.431 0.885 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H]4C[C@@]4(CO)C3)CC2)cc1 ZINC000782616224 578729402 /nfs/dbraw/zinc/72/94/02/578729402.db2.gz KCRLPTAGEACPDN-BEFAXECRSA-N 1 1 345.443 0.658 20 10 ECCDMO COc1c(O)c(C[NH2+][C@H]2CCCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000775026204 579261587 /nfs/dbraw/zinc/26/15/87/579261587.db2.gz ZLFYSOFHMGNMQR-JTQLQIEISA-N 1 1 330.362 0.976 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](O)[C@H](C)C1)cc2=O ZINC000778258375 579307383 /nfs/dbraw/zinc/30/73/83/579307383.db2.gz GYGWHIXOPNVEQM-ZWNOBZJWSA-N 1 1 334.376 0.814 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@@H](CO)C3)CC2)cc1 ZINC000779221938 579314301 /nfs/dbraw/zinc/31/43/01/579314301.db2.gz DJQHVXIMTPTKAX-SJLPKXTDSA-N 1 1 349.475 0.492 20 10 ECCDMO C[N@H+]1CC[C@](O)(CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000763012546 579553387 /nfs/dbraw/zinc/55/33/87/579553387.db2.gz MSGDHDXBQOKUIC-SFHVURJKSA-N 1 1 348.447 0.389 20 10 ECCDMO CN1CCCc2cc(CNC(=O)NC[C@]3(O)CC[N@@H+](C)C3)ccc21 ZINC000763026343 579553676 /nfs/dbraw/zinc/55/36/76/579553676.db2.gz RIOXIIJRLAPQAH-GOSISDBHSA-N 1 1 332.448 0.935 20 10 ECCDMO O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000763997131 579568917 /nfs/dbraw/zinc/56/89/17/579568917.db2.gz JSVYYUPRKJOOGW-SFHVURJKSA-N 1 1 344.459 0.529 20 10 ECCDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895706216 586199854 /nfs/dbraw/zinc/19/98/54/586199854.db2.gz FLQPAJFHLZTWLM-QGZVFWFLSA-N 1 1 338.379 0.772 20 10 ECCDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000893436180 586332080 /nfs/dbraw/zinc/33/20/80/586332080.db2.gz HLMQVFHQALFSAN-LBPRGKRZSA-N 1 1 344.433 0.923 20 10 ECCDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000900337348 586625541 /nfs/dbraw/zinc/62/55/41/586625541.db2.gz GVZWDFLVDUQLLA-FUHWJXTLSA-N 1 1 333.432 0.595 20 10 ECCDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825688267 587956620 /nfs/dbraw/zinc/95/66/20/587956620.db2.gz GXIJGMFEVFQFTH-JTQLQIEISA-N 1 1 339.367 0.554 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000879692289 590334249 /nfs/dbraw/zinc/33/42/49/590334249.db2.gz JJCMEUYXVIIEMT-IYBDPMFKSA-N 1 1 335.448 0.244 20 10 ECCDMO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877193277 590444244 /nfs/dbraw/zinc/44/42/44/590444244.db2.gz ZHCMRVCVVJGWEQ-KRWDZBQOSA-N 1 1 333.432 0.595 20 10 ECCDMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877193277 590444247 /nfs/dbraw/zinc/44/42/47/590444247.db2.gz ZHCMRVCVVJGWEQ-KRWDZBQOSA-N 1 1 333.432 0.595 20 10 ECCDMO O=C1CO[C@H]2CC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2N1 ZINC000877577953 590472116 /nfs/dbraw/zinc/47/21/16/590472116.db2.gz OWBHFKZDNQBCRP-ROUUACIJSA-N 1 1 345.443 0.737 20 10 ECCDMO C[C@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980511070 749659415 /nfs/dbraw/zinc/65/94/15/749659415.db2.gz NQXMZKXARXAMBI-MFKMUULPSA-N 1 1 346.391 0.869 20 10 ECCDMO C[N@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980520574 749688489 /nfs/dbraw/zinc/68/84/89/749688489.db2.gz IHOPNHLRHSSHON-GFCCVEGCSA-N 1 1 332.364 0.481 20 10 ECCDMO C[N@@H+](CC(N)=O)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980520574 749688495 /nfs/dbraw/zinc/68/84/95/749688495.db2.gz IHOPNHLRHSSHON-GFCCVEGCSA-N 1 1 332.364 0.481 20 10 ECCDMO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(C)no3)C2)cc(OC)n1 ZINC001022367401 758632724 /nfs/dbraw/zinc/63/27/24/758632724.db2.gz DTTVXUCGAPRGIX-TXEJJXNPSA-N 1 1 347.375 0.841 20 10 ECCDMO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnn(C)n3)C2)cc(OC)n1 ZINC001022368725 758633979 /nfs/dbraw/zinc/63/39/79/758633979.db2.gz YFNTVWVLEDKQPK-TXEJJXNPSA-N 1 1 346.391 0.278 20 10 ECCDMO CC[C@@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032215691 759843891 /nfs/dbraw/zinc/84/38/91/759843891.db2.gz MAUDSUQNJIQSES-ZDUSSCGKSA-N 1 1 346.391 0.775 20 10 ECCDMO COc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)cc(OC)n1 ZINC001047104212 763672410 /nfs/dbraw/zinc/67/24/10/763672410.db2.gz PCZQPVYNBLSCAO-UBHSHLNASA-N 1 1 335.404 0.674 20 10 ECCDMO CC[N@@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCNC1=O ZINC001267257260 837082522 /nfs/dbraw/zinc/08/25/22/837082522.db2.gz TXMAGDHSYCPJDM-ZDUSSCGKSA-N 1 1 346.391 0.789 20 10 ECCDMO O=C1NC(=S)NC(=O)C1=CN[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000078382774 436266760 /nfs/dbraw/zinc/26/67/60/436266760.db2.gz SNMXMXVGGRCLIF-LBPRGKRZSA-N 1 1 330.413 0.265 20 10 ECCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000291867432 437636652 /nfs/dbraw/zinc/63/66/52/437636652.db2.gz JOOYNFUMHDRDGJ-LLVKDONJSA-N 1 1 328.390 0.587 20 10 ECCDMO CNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000367375734 438200823 /nfs/dbraw/zinc/20/08/23/438200823.db2.gz WLJASNZOIBPGIE-LBPRGKRZSA-N 1 1 325.796 0.872 20 10 ECCDMO CNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000367375734 438200826 /nfs/dbraw/zinc/20/08/26/438200826.db2.gz WLJASNZOIBPGIE-LBPRGKRZSA-N 1 1 325.796 0.872 20 10 ECCDMO CCOc1ccc(O)c(C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)c1 ZINC000529664938 439436687 /nfs/dbraw/zinc/43/66/87/439436687.db2.gz NMCNFLHJZFSSMS-UHFFFAOYSA-N 1 1 349.431 0.961 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)C3CC(O)C3)CC2)cc1 ZINC000759874871 579499871 /nfs/dbraw/zinc/49/98/71/579499871.db2.gz PJSSCWISGGNSNN-DAWZGUTISA-N 1 1 349.475 0.633 20 10 ECCDMO O[C@@]1(Cn2ccnn2)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000794156352 578578451 /nfs/dbraw/zinc/57/84/51/578578451.db2.gz RTBFEUDCUUNDIM-SFHVURJKSA-N 1 1 343.431 0.752 20 10 ECCDMO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1O ZINC000780919922 578702680 /nfs/dbraw/zinc/70/26/80/578702680.db2.gz YEABGNMTQJFDSK-GFCCVEGCSA-N 1 1 335.404 0.723 20 10 ECCDMO C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000785432685 578768952 /nfs/dbraw/zinc/76/89/52/578768952.db2.gz HJYVSYJUSVQILT-CJNGLKHVSA-N 1 1 348.447 0.204 20 10 ECCDMO C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000785432685 578768954 /nfs/dbraw/zinc/76/89/54/578768954.db2.gz HJYVSYJUSVQILT-CJNGLKHVSA-N 1 1 348.447 0.204 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@](O)(CC)C1)cc2=O ZINC000778391599 579308676 /nfs/dbraw/zinc/30/86/76/579308676.db2.gz KWGNYJKLTVUBLX-MRXNPFEDSA-N 1 1 334.376 0.958 20 10 ECCDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3ccc(N)cc3)CC[C@@H]21 ZINC000842237662 589024001 /nfs/dbraw/zinc/02/40/01/589024001.db2.gz XJOMJTQSMQZMOF-WBVHZDCISA-N 1 1 344.459 0.870 20 10 ECCDMO C[NH+]1CCN(c2ccc(CN3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)cc2)CC1 ZINC000897618224 586352012 /nfs/dbraw/zinc/35/20/12/586352012.db2.gz BFZVFHDXDULZLN-CALCHBBNSA-N 1 1 349.500 0.915 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)OC3COC3)CC2)cc1 ZINC000902827459 586759099 /nfs/dbraw/zinc/75/90/99/586759099.db2.gz ULOLQIPGURPRLB-UHFFFAOYSA-N 1 1 335.404 0.942 20 10 ECCDMO C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839590383 586881149 /nfs/dbraw/zinc/88/11/49/586881149.db2.gz UIMPHRZXCZJCGS-PBHICJAKSA-N 1 1 335.448 0.841 20 10 ECCDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839590383 586881150 /nfs/dbraw/zinc/88/11/50/586881150.db2.gz UIMPHRZXCZJCGS-PBHICJAKSA-N 1 1 335.448 0.841 20 10 ECCDMO CNC(=O)[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000817284548 587338327 /nfs/dbraw/zinc/33/83/27/587338327.db2.gz XCLPIGHAXKELMW-OAHLLOKOSA-N 1 1 332.448 0.779 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H](O)C3CC3)CC2)cc1 ZINC000824285672 587865663 /nfs/dbraw/zinc/86/56/63/587865663.db2.gz SQCCHDQCXPTBHS-QGZVFWFLSA-N 1 1 333.432 0.704 20 10 ECCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(Br)cc3O)C[C@H]12 ZINC000826065552 587986771 /nfs/dbraw/zinc/98/67/71/587986771.db2.gz ZKLDOFWXPVRXCO-AOOOYVTPSA-N 1 1 325.162 0.859 20 10 ECCDMO Nc1ccc(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000829764476 588340545 /nfs/dbraw/zinc/34/05/45/588340545.db2.gz MIJHFKDKCCPJJS-QGZVFWFLSA-N 1 1 332.448 0.334 20 10 ECCDMO CCc1cccc(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)c1O ZINC000848910294 589315338 /nfs/dbraw/zinc/31/53/38/589315338.db2.gz HXQMHZGUWPLHDF-UHFFFAOYSA-N 1 1 330.392 0.286 20 10 ECCDMO Cn1ncnc1C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000877145450 590440824 /nfs/dbraw/zinc/44/08/24/590440824.db2.gz HTVSPLGYHAXAOZ-CQSZACIVSA-N 1 1 328.420 0.807 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CC(C)(CO)CO)cc1 ZINC000158968138 611451097 /nfs/dbraw/zinc/45/10/97/611451097.db2.gz VQZJTBPSLAHWTD-UHFFFAOYSA-N 1 1 337.464 0.634 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)CC(C)(CO)CO)cc1 ZINC000158968138 611451100 /nfs/dbraw/zinc/45/11/00/611451100.db2.gz VQZJTBPSLAHWTD-UHFFFAOYSA-N 1 1 337.464 0.634 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN(C)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000923288311 611225083 /nfs/dbraw/zinc/22/50/83/611225083.db2.gz VIRYEGDKZPDYPG-ZWKOTPCHSA-N 1 1 348.491 0.472 20 10 ECCDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(OC)nc(OC)c2)CC1 ZINC001003245481 748339153 /nfs/dbraw/zinc/33/91/53/748339153.db2.gz YZRPXOJALAEUBB-UHFFFAOYSA-N 1 1 336.392 0.039 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]32)cc1 ZINC001076623042 756753172 /nfs/dbraw/zinc/75/31/72/756753172.db2.gz DFFPFNXRKQBXGY-GXTWGEPZSA-N 1 1 331.376 0.988 20 10 ECCDMO NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]2C1 ZINC001049243433 758420615 /nfs/dbraw/zinc/42/06/15/758420615.db2.gz OFCRXWOHLYTUCL-TXEJJXNPSA-N 1 1 344.375 0.338 20 10 ECCDMO COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266361984 835772346 /nfs/dbraw/zinc/77/23/46/835772346.db2.gz WITLIDNIZGAVLZ-KGLIPLIRSA-N 1 1 349.391 0.660 20 10 ECCDMO C[C@@H](O)C[NH+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000189374703 437595806 /nfs/dbraw/zinc/59/58/06/437595806.db2.gz YXDKENVDJSZHLM-OAHLLOKOSA-N 1 1 334.464 0.367 20 10 ECCDMO COc1ccc(O)c(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000271860337 436696260 /nfs/dbraw/zinc/69/62/60/436696260.db2.gz YJWQKAVDVBEFQF-UHFFFAOYSA-N 1 1 349.431 0.377 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000178872308 437235867 /nfs/dbraw/zinc/23/58/67/437235867.db2.gz SHBOQVSFJMTPHX-INIZCTEOSA-N 1 1 346.475 0.933 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H](C)[C@H](CO)C3)CC2)cc1 ZINC000190864946 437642066 /nfs/dbraw/zinc/64/20/66/437642066.db2.gz KTSQKOBHQUSAQK-CVEARBPZSA-N 1 1 347.459 0.904 20 10 ECCDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc1OC ZINC000292100992 437659088 /nfs/dbraw/zinc/65/90/88/437659088.db2.gz PCMUIISTLBVYRE-LBPRGKRZSA-N 1 1 344.433 0.875 20 10 ECCDMO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000365277013 437886729 /nfs/dbraw/zinc/88/67/29/437886729.db2.gz YFTOJEOGHTWXMS-NSHDSACASA-N 1 1 328.390 0.635 20 10 ECCDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000365277013 437886731 /nfs/dbraw/zinc/88/67/31/437886731.db2.gz YFTOJEOGHTWXMS-NSHDSACASA-N 1 1 328.390 0.635 20 10 ECCDMO CN(C)C(=O)CN1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000372392622 438083771 /nfs/dbraw/zinc/08/37/71/438083771.db2.gz LQHCEISTFUTOJA-UHFFFAOYSA-N 1 1 335.404 0.717 20 10 ECCDMO CN(C)c1ccc(CNC(=O)CN2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000366517889 438086596 /nfs/dbraw/zinc/08/65/96/438086596.db2.gz SQNPKVBJXUIITR-SFHVURJKSA-N 1 1 346.475 0.775 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)CC2)cc1 ZINC000366446563 438073382 /nfs/dbraw/zinc/07/33/82/438073382.db2.gz TXIGVPROANBZGO-PIIMJCKOSA-N 1 1 345.443 0.514 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](O)C3(CC3)C1)cc2=O ZINC000375311629 438248598 /nfs/dbraw/zinc/24/85/98/438248598.db2.gz XIHOWAXDAMEKEM-GFCCVEGCSA-N 1 1 332.360 0.568 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](O)C3(CC3)C1)cc2=O ZINC000375311629 438248601 /nfs/dbraw/zinc/24/86/01/438248601.db2.gz XIHOWAXDAMEKEM-GFCCVEGCSA-N 1 1 332.360 0.568 20 10 ECCDMO COC(=O)COc1ccc(N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000784554499 578754142 /nfs/dbraw/zinc/75/41/42/578754142.db2.gz KAMRVHJCRZFXCX-HNNXBMFYSA-N 1 1 338.404 0.368 20 10 ECCDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768444427 579125537 /nfs/dbraw/zinc/12/55/37/579125537.db2.gz BFESQXARZRMTPJ-FZMZJTMJSA-N 1 1 342.417 0.332 20 10 ECCDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000770680064 579173484 /nfs/dbraw/zinc/17/34/84/579173484.db2.gz WNEXAXSFQARBSQ-RISCZKNCSA-N 1 1 342.417 0.332 20 10 ECCDMO COc1c(O)c(C[NH2+]CCCN(C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000774960797 579260064 /nfs/dbraw/zinc/26/00/64/579260064.db2.gz IKVJGQAXKNUZRR-UHFFFAOYSA-N 1 1 347.393 0.680 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000892017775 586215305 /nfs/dbraw/zinc/21/53/05/586215305.db2.gz XJVMGRKMECRYGB-INIZCTEOSA-N 1 1 331.464 0.990 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000897361528 586305098 /nfs/dbraw/zinc/30/50/98/586305098.db2.gz KPIZWXCCJITWDK-UHFFFAOYSA-N 1 1 332.448 0.921 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000897361528 586305099 /nfs/dbraw/zinc/30/50/99/586305099.db2.gz KPIZWXCCJITWDK-UHFFFAOYSA-N 1 1 332.448 0.921 20 10 ECCDMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806282286 587092497 /nfs/dbraw/zinc/09/24/97/587092497.db2.gz JTJFKOOSFIKXBK-LLVKDONJSA-N 1 1 342.490 0.952 20 10 ECCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC12COC2 ZINC000840098877 587130415 /nfs/dbraw/zinc/13/04/15/587130415.db2.gz FIVZCBLNVCMSQP-UKRRQHHQSA-N 1 1 349.383 0.830 20 10 ECCDMO C[C@H](NC(=O)CN1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000111582469 589558195 /nfs/dbraw/zinc/55/81/95/589558195.db2.gz PNODBQHENXPFDJ-INIZCTEOSA-N 1 1 346.475 0.948 20 10 ECCDMO COC(=O)[C@@]1(OC)CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000859557218 589850753 /nfs/dbraw/zinc/85/07/53/589850753.db2.gz MUSDEUTVEQEJFS-GOSISDBHSA-N 1 1 349.431 0.633 20 10 ECCDMO COC(=O)[C@@]1(OC)CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000859557218 589850754 /nfs/dbraw/zinc/85/07/54/589850754.db2.gz MUSDEUTVEQEJFS-GOSISDBHSA-N 1 1 349.431 0.633 20 10 ECCDMO Cn1cnc2c1c(=O)n(CCC[N@H+](C)c1ccc(N)cc1)c(=O)n2C ZINC000863558266 590023678 /nfs/dbraw/zinc/02/36/78/590023678.db2.gz BNAMZMIHEWGQLA-UHFFFAOYSA-N 1 1 342.403 0.542 20 10 ECCDMO Cn1cnc2c1c(=O)n(CCC[N@@H+](C)c1ccc(N)cc1)c(=O)n2C ZINC000863558266 590023679 /nfs/dbraw/zinc/02/36/79/590023679.db2.gz BNAMZMIHEWGQLA-UHFFFAOYSA-N 1 1 342.403 0.542 20 10 ECCDMO O=C1COC[C@]2(C[NH2+]Cc3c(O)ccc(Cl)c3F)COCCN12 ZINC000865796369 590158223 /nfs/dbraw/zinc/15/82/23/590158223.db2.gz SXFQLFGRFGXQOV-HNNXBMFYSA-N 1 1 344.770 0.902 20 10 ECCDMO Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(O)c1 ZINC000876553249 590386731 /nfs/dbraw/zinc/38/67/31/590386731.db2.gz LWKXCJWOQVRFSU-UHFFFAOYSA-N 1 1 347.415 0.204 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000923290690 611225411 /nfs/dbraw/zinc/22/54/11/611225411.db2.gz NPLGXJZAPQYCMX-AEFFLSMTSA-N 1 1 348.491 0.472 20 10 ECCDMO C[NH2+]CCN(C)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000923361458 611234446 /nfs/dbraw/zinc/23/44/46/611234446.db2.gz JYSXMAFDWUBCSS-QGZVFWFLSA-N 1 1 336.480 0.329 20 10 ECCDMO Nc1ccc(CCNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000842241506 611312950 /nfs/dbraw/zinc/31/29/50/611312950.db2.gz CTMVRGITPVGHMX-UHFFFAOYSA-N 1 1 330.432 0.482 20 10 ECCDMO C[C@@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013813 743192646 /nfs/dbraw/zinc/19/26/46/743192646.db2.gz IHJDPWNDTBPRQN-WDEREUQCSA-N 1 1 346.391 0.775 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3CC[NH2+]CC3)CC2)cc1 ZINC000325164266 756959382 /nfs/dbraw/zinc/95/93/82/756959382.db2.gz JIVWTVXGGAKTQW-QGZVFWFLSA-N 1 1 334.464 0.083 20 10 ECCDMO CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253604 782565355 /nfs/dbraw/zinc/56/53/55/782565355.db2.gz IWTIQNHZXFHQKZ-LERXQTSPSA-N 1 1 349.391 0.659 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)cc(OC)n1 ZINC001015104139 763888875 /nfs/dbraw/zinc/88/88/75/763888875.db2.gz QMAPTSDROCIOHN-QWHCGFSZSA-N 1 1 348.403 0.134 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)cc(OC)n1 ZINC001015104139 763888886 /nfs/dbraw/zinc/88/88/86/763888886.db2.gz QMAPTSDROCIOHN-QWHCGFSZSA-N 1 1 348.403 0.134 20 10 ECCDMO CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016367056 766192266 /nfs/dbraw/zinc/19/22/66/766192266.db2.gz HWQVCMIPYXMTAZ-GXFFZTMASA-N 1 1 346.391 0.788 20 10 ECCDMO CNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016367056 766192268 /nfs/dbraw/zinc/19/22/68/766192268.db2.gz HWQVCMIPYXMTAZ-GXFFZTMASA-N 1 1 346.391 0.788 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](O)C(C)C)CC2)cc1 ZINC000291546928 437604698 /nfs/dbraw/zinc/60/46/98/437604698.db2.gz PRPFDKWUXZVEQP-KRWDZBQOSA-N 1 1 335.448 0.950 20 10 ECCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCNS(C)(=O)=O)c1 ZINC000273437090 436755188 /nfs/dbraw/zinc/75/51/88/436755188.db2.gz XHKWSQJHBDQCOU-JTQLQIEISA-N 1 1 330.406 0.769 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H](CO)c2cnn(C)c2)cc1 ZINC000275194114 436938474 /nfs/dbraw/zinc/93/84/74/436938474.db2.gz PJKVJOYVNNZGHY-INIZCTEOSA-N 1 1 331.420 0.426 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](C)[C@H]1CO)cc2=O ZINC000276024295 437045969 /nfs/dbraw/zinc/04/59/69/437045969.db2.gz KWUSZQPNRCOVFB-ZWNOBZJWSA-N 1 1 334.376 0.814 20 10 ECCDMO CC[N@@H+](CCO)CCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000183968557 437393858 /nfs/dbraw/zinc/39/38/58/437393858.db2.gz KPVCDPVGXCBPCY-VMPITWQZSA-N 1 1 347.459 0.967 20 10 ECCDMO COC(=O)CNC(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000373929149 438174878 /nfs/dbraw/zinc/17/48/78/438174878.db2.gz LXYMRGAPMBKDRS-UHFFFAOYSA-N 1 1 335.404 0.497 20 10 ECCDMO COC(=O)CNC(=O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000373929149 438174885 /nfs/dbraw/zinc/17/48/85/438174885.db2.gz LXYMRGAPMBKDRS-UHFFFAOYSA-N 1 1 335.404 0.497 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@]1(C)CO)cc2=O ZINC000759903169 579500292 /nfs/dbraw/zinc/50/02/92/579500292.db2.gz TUVZLLBZPUYVAS-INIZCTEOSA-N 1 1 334.376 0.958 20 10 ECCDMO O[C@]1(Cn2ccnn2)CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000794156346 578578457 /nfs/dbraw/zinc/57/84/57/578578457.db2.gz RTBFEUDCUUNDIM-GOSISDBHSA-N 1 1 343.431 0.752 20 10 ECCDMO CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000746882981 579845127 /nfs/dbraw/zinc/84/51/27/579845127.db2.gz OQGMZGCVMKQNFZ-LLVKDONJSA-N 1 1 339.417 0.730 20 10 ECCDMO Cc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC000840946069 588975580 /nfs/dbraw/zinc/97/55/80/588975580.db2.gz HSYAHXZLDHUXAA-UHFFFAOYSA-N 1 1 343.435 0.392 20 10 ECCDMO COc1ccc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)c(O)c1OC ZINC000891521372 586173746 /nfs/dbraw/zinc/17/37/46/586173746.db2.gz SEGMHFYZIYWQLI-UHFFFAOYSA-N 1 1 349.431 0.806 20 10 ECCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc(Br)cc(F)c3[O-])C[C@H]12 ZINC000894904145 586418732 /nfs/dbraw/zinc/41/87/32/586418732.db2.gz ZMSFVXYOZFBWIU-DTORHVGOSA-N 1 1 343.152 0.998 20 10 ECCDMO COc1ccc(N2CCC([NH2+]CC(=O)N3CCNCC3)CC2)cc1 ZINC000817945814 587392901 /nfs/dbraw/zinc/39/29/01/587392901.db2.gz MPRXIHGBVUKGGC-UHFFFAOYSA-N 1 1 332.448 0.685 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](O)C3CC3)CC2)cc1 ZINC000824285671 587865624 /nfs/dbraw/zinc/86/56/24/587865624.db2.gz SQCCHDQCXPTBHS-KRWDZBQOSA-N 1 1 333.432 0.704 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000852497126 589499053 /nfs/dbraw/zinc/49/90/53/589499053.db2.gz UAUQIRURUFJMBV-WBVHZDCISA-N 1 1 344.459 0.969 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)cc1 ZINC000855233571 589623555 /nfs/dbraw/zinc/62/35/55/589623555.db2.gz ILOBGQNRWATSBJ-MAUKXSAKSA-N 1 1 344.459 0.780 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)c(OC)c1 ZINC000870165366 590004867 /nfs/dbraw/zinc/00/48/67/590004867.db2.gz WIKJIYSPJASBOS-QGZVFWFLSA-N 1 1 349.431 0.683 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c(OC)c1 ZINC000870165366 590004870 /nfs/dbraw/zinc/00/48/70/590004870.db2.gz WIKJIYSPJASBOS-QGZVFWFLSA-N 1 1 349.431 0.683 20 10 ECCDMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000930865897 611477179 /nfs/dbraw/zinc/47/71/79/611477179.db2.gz GXMTVXIRJQWPSV-WMLDXEAASA-N 1 1 346.475 0.929 20 10 ECCDMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000930865897 611477182 /nfs/dbraw/zinc/47/71/82/611477182.db2.gz GXMTVXIRJQWPSV-WMLDXEAASA-N 1 1 346.475 0.929 20 10 ECCDMO C[C@@H]1[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@H+]1C ZINC000928442824 608740884 /nfs/dbraw/zinc/74/08/84/608740884.db2.gz RBBXTTHILQPQQQ-SKDRFNHKSA-N 1 1 327.406 0.586 20 10 ECCDMO COCC[N@H+]1CC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000924601999 609048790 /nfs/dbraw/zinc/04/87/90/609048790.db2.gz ZGSLRVRGLUIWHA-CQSZACIVSA-N 1 1 333.388 0.877 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000923292299 611225488 /nfs/dbraw/zinc/22/54/88/611225488.db2.gz HIQCVEIIAUPEOE-QZTJIDSGSA-N 1 1 348.491 0.601 20 10 ECCDMO OCC[N@@H+](CCN1CCOCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000092186554 612536718 /nfs/dbraw/zinc/53/67/18/612536718.db2.gz LGHDOBKTLLCGBM-UHFFFAOYSA-N 1 1 349.475 0.650 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCO)C[C@H]3C2)cc(OC)n1 ZINC000980141155 749052790 /nfs/dbraw/zinc/05/27/90/749052790.db2.gz MKSNORWZXZJJRQ-NWANDNLSSA-N 1 1 349.431 0.921 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001016379874 766200381 /nfs/dbraw/zinc/20/03/81/766200381.db2.gz ATZPFFDCPIXGNU-OLZOCXBDSA-N 1 1 344.375 0.542 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001016379874 766200388 /nfs/dbraw/zinc/20/03/88/766200388.db2.gz ATZPFFDCPIXGNU-OLZOCXBDSA-N 1 1 344.375 0.542 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@@H](CNC(C)=O)C2CC2)cc1 ZINC001266393031 835799453 /nfs/dbraw/zinc/79/94/53/835799453.db2.gz POMZOPVGTPOAHI-HNNXBMFYSA-N 1 1 330.392 0.675 20 10 ECCDMO C[N@@H+](CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000284407861 437053052 /nfs/dbraw/zinc/05/30/52/437053052.db2.gz BJNPDPUYDVMKSS-UHFFFAOYSA-N 1 1 342.443 0.889 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000178872303 437235600 /nfs/dbraw/zinc/23/56/00/437235600.db2.gz SHBOQVSFJMTPHX-MRXNPFEDSA-N 1 1 346.475 0.933 20 10 ECCDMO COCCN(CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278186756 437288039 /nfs/dbraw/zinc/28/80/39/437288039.db2.gz HJMFBSQNLHKGSN-UHFFFAOYSA-N 1 1 341.364 0.846 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C1(CO)CCC1)cc2=O ZINC000292206857 437670498 /nfs/dbraw/zinc/67/04/98/437670498.db2.gz SURNAOYZDIWDTK-UHFFFAOYSA-N 1 1 334.376 0.958 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000754027088 579411208 /nfs/dbraw/zinc/41/12/08/579411208.db2.gz BHHWNWJCFOLJJG-IRXDYDNUSA-N 1 1 335.448 0.245 20 10 ECCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](CN3CCOCC3)C1)[C@@H](O)CO2 ZINC000768466598 579126307 /nfs/dbraw/zinc/12/63/07/579126307.db2.gz SRJUUVSXQGRXGH-GUYCJALGSA-N 1 1 334.416 0.972 20 10 ECCDMO CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCC[N@@H+](C)C1 ZINC000769913422 579155358 /nfs/dbraw/zinc/15/53/58/579155358.db2.gz QICQDWPIIFWBHD-LBPRGKRZSA-N 1 1 341.433 0.930 20 10 ECCDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842167738 589016629 /nfs/dbraw/zinc/01/66/29/589016629.db2.gz ULGWCLYLYKMIOE-LRDDRELGSA-N 1 1 330.432 0.526 20 10 ECCDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842185967 589018915 /nfs/dbraw/zinc/01/89/15/589018915.db2.gz CICFQPWXODUZLD-INIZCTEOSA-N 1 1 348.447 0.155 20 10 ECCDMO COc1ccc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)c(O)c1OC ZINC000891620742 586182781 /nfs/dbraw/zinc/18/27/81/586182781.db2.gz KRMWJZSASCHGCZ-GFCCVEGCSA-N 1 1 344.433 0.923 20 10 ECCDMO COc1ccc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)c(O)c1OC ZINC000892096503 586221151 /nfs/dbraw/zinc/22/11/51/586221151.db2.gz UKRBGESRHNJYEM-AWEZNQCLSA-N 1 1 340.420 0.534 20 10 ECCDMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000897809751 586372387 /nfs/dbraw/zinc/37/23/87/586372387.db2.gz WYXAKLVJMXJJAZ-KRWDZBQOSA-N 1 1 342.443 0.889 20 10 ECCDMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000897809751 586372390 /nfs/dbraw/zinc/37/23/90/586372390.db2.gz WYXAKLVJMXJJAZ-KRWDZBQOSA-N 1 1 342.443 0.889 20 10 ECCDMO COc1ccc(N2CCN(C(=O)CON=C(N)C[NH+](C)C)CC2)cc1 ZINC000902612671 586748466 /nfs/dbraw/zinc/74/84/66/586748466.db2.gz LRROSWQIFVJMMI-UHFFFAOYSA-N 1 1 349.435 0.404 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H]3CC[N@@H+](C)[C@@H]3C1)cc2=O ZINC000831728274 588445259 /nfs/dbraw/zinc/44/52/59/588445259.db2.gz DVBZQDMOYOPKQQ-SMDDNHRTSA-N 1 1 345.403 0.748 20 10 ECCDMO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)[N@@H+]1CCO ZINC000831796084 588450394 /nfs/dbraw/zinc/45/03/94/588450394.db2.gz BODGFQOJAUFQTJ-IYBDPMFKSA-N 1 1 348.491 0.756 20 10 ECCDMO C[NH+]1CCN(CC(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000109956096 589401502 /nfs/dbraw/zinc/40/15/02/589401502.db2.gz DLQXHJNKPWZUKE-UHFFFAOYSA-N 1 1 332.448 0.387 20 10 ECCDMO C[NH+]1CCN(CC2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)CC1 ZINC000854644260 589597929 /nfs/dbraw/zinc/59/79/29/589597929.db2.gz LFNXZYZFYPGJAQ-HYXAFXHYSA-N 1 1 331.416 0.817 20 10 ECCDMO Cc1cccc(O)c1C[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000876613724 590391473 /nfs/dbraw/zinc/39/14/73/590391473.db2.gz BWCVGKAIKGESLC-UHFFFAOYSA-N 1 1 331.416 0.967 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC=C[C@H]3CO)CC2)cc1 ZINC000880489934 590396539 /nfs/dbraw/zinc/39/65/39/590396539.db2.gz ZFPJNJXJQYRHDO-ROUUACIJSA-N 1 1 347.459 0.411 20 10 ECCDMO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC=C[C@H]3CO)CC2)cc1 ZINC000880489934 590396541 /nfs/dbraw/zinc/39/65/41/590396541.db2.gz ZFPJNJXJQYRHDO-ROUUACIJSA-N 1 1 347.459 0.411 20 10 ECCDMO O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1cccc(O)c1O ZINC000882634554 590566215 /nfs/dbraw/zinc/56/62/15/590566215.db2.gz DHKKYJRHQOSIOD-AWEZNQCLSA-N 1 1 349.431 0.624 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)CN2CC[N@H+](C)[C@H](CO)C2)cc1 ZINC000931409073 611539047 /nfs/dbraw/zinc/53/90/47/611539047.db2.gz IZLRJDZYEMXSMO-KRWDZBQOSA-N 1 1 334.464 0.319 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)CN2CC[N@@H+](C)[C@H](CO)C2)cc1 ZINC000931409073 611539049 /nfs/dbraw/zinc/53/90/49/611539049.db2.gz IZLRJDZYEMXSMO-KRWDZBQOSA-N 1 1 334.464 0.319 20 10 ECCDMO C[C@H]1[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@H+]1C ZINC000928442822 608741015 /nfs/dbraw/zinc/74/10/15/608741015.db2.gz RBBXTTHILQPQQQ-CABZTGNLSA-N 1 1 327.406 0.586 20 10 ECCDMO CNS(=O)(=O)CCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866141 608764459 /nfs/dbraw/zinc/76/44/59/608764459.db2.gz WHGSRKYTZNCOAA-UHFFFAOYSA-N 1 1 345.440 0.896 20 10 ECCDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1CC(N)=O ZINC001087843972 746481458 /nfs/dbraw/zinc/48/14/58/746481458.db2.gz AALZLDPSEHTVJG-QWHCGFSZSA-N 1 1 346.391 0.917 20 10 ECCDMO CC[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1CC(N)=O ZINC001087843972 746481460 /nfs/dbraw/zinc/48/14/60/746481460.db2.gz AALZLDPSEHTVJG-QWHCGFSZSA-N 1 1 346.391 0.917 20 10 ECCDMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015103435 763886906 /nfs/dbraw/zinc/88/69/06/763886906.db2.gz OLCPSEMIXFNXHV-VXGBXAGGSA-N 1 1 336.392 0.167 20 10 ECCDMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015103435 763886913 /nfs/dbraw/zinc/88/69/13/763886913.db2.gz OLCPSEMIXFNXHV-VXGBXAGGSA-N 1 1 336.392 0.167 20 10 ECCDMO CCc1cc(N2CC=C(CCNC(=O)CC(N)=O)CC2)nc(C)[nH+]1 ZINC001089822080 767338100 /nfs/dbraw/zinc/33/81/00/767338100.db2.gz NLDYQNCNJROMIL-UHFFFAOYSA-N 1 1 331.420 0.866 20 10 ECCDMO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nonc3C)C2)cc(OC)n1 ZINC001020352375 772482675 /nfs/dbraw/zinc/48/26/75/772482675.db2.gz LTLHSRNYUWHJPZ-HAQNSBGRSA-N 1 1 347.375 0.841 20 10 ECCDMO C[N@@H+](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1 ZINC000066923863 436700913 /nfs/dbraw/zinc/70/09/13/436700913.db2.gz LWCHKLKDHNYXGP-UHFFFAOYSA-N 1 1 327.406 0.588 20 10 ECCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000158902504 436852511 /nfs/dbraw/zinc/85/25/11/436852511.db2.gz YGWHYBBELSPNRB-AWEZNQCLSA-N 1 1 326.466 0.758 20 10 ECCDMO C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@H](C)[N@H+]1C ZINC000294026171 436928276 /nfs/dbraw/zinc/92/82/76/436928276.db2.gz RCBIVEHWFUHHJN-PHIMTYICSA-N 1 1 341.433 0.928 20 10 ECCDMO C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@H](C)[N@@H+]1C ZINC000294026171 436928280 /nfs/dbraw/zinc/92/82/80/436928280.db2.gz RCBIVEHWFUHHJN-PHIMTYICSA-N 1 1 341.433 0.928 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)cc1 ZINC000175253886 437100085 /nfs/dbraw/zinc/10/00/85/437100085.db2.gz OGGYKTZAVONJQS-OAHLLOKOSA-N 1 1 332.448 0.956 20 10 ECCDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000365277007 437886498 /nfs/dbraw/zinc/88/64/98/437886498.db2.gz YFTOJEOGHTWXMS-LLVKDONJSA-N 1 1 328.390 0.635 20 10 ECCDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000365277007 437886503 /nfs/dbraw/zinc/88/65/03/437886503.db2.gz YFTOJEOGHTWXMS-LLVKDONJSA-N 1 1 328.390 0.635 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3C[C@H](O)[C@@H](C)C3)CC2)cc1 ZINC000754097210 579412959 /nfs/dbraw/zinc/41/29/59/579412959.db2.gz MHLFRDJVDLTCCV-IEZWGBDMSA-N 1 1 349.475 0.491 20 10 ECCDMO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(F)cc1O ZINC000756687571 579452803 /nfs/dbraw/zinc/45/28/03/579452803.db2.gz OCOITSOHLUKMCM-LLVKDONJSA-N 1 1 332.397 0.844 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)C3CC(O)C3)CC2)cc1 ZINC000759874870 579499920 /nfs/dbraw/zinc/49/99/20/579499920.db2.gz PJSSCWISGGNSNN-ABHNRTSZSA-N 1 1 349.475 0.633 20 10 ECCDMO O=C(NCc1ccccc1O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000734663472 578366012 /nfs/dbraw/zinc/36/60/12/578366012.db2.gz NMQSBSUBNYEXIV-MRXNPFEDSA-N 1 1 348.447 0.598 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H]3C[C@]3(CO)C1)cc2=O ZINC000782633296 578730324 /nfs/dbraw/zinc/73/03/24/578730324.db2.gz NSYHITGVQKSDAP-MGPLVRAMSA-N 1 1 332.360 0.426 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H]3C[C@]3(CO)C1)cc2=O ZINC000782633296 578730325 /nfs/dbraw/zinc/73/03/25/578730325.db2.gz NSYHITGVQKSDAP-MGPLVRAMSA-N 1 1 332.360 0.426 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)NC(C)=O)CC2)cc1 ZINC000742917175 579793063 /nfs/dbraw/zinc/79/30/63/579793063.db2.gz SFAGNEXTOJNZOK-AWEZNQCLSA-N 1 1 348.447 0.458 20 10 ECCDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCc3ccc(N)cc3)CC[C@H]21 ZINC000842237659 589024006 /nfs/dbraw/zinc/02/40/06/589024006.db2.gz XJOMJTQSMQZMOF-DOTOQJQBSA-N 1 1 344.459 0.870 20 10 ECCDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000842271179 589025959 /nfs/dbraw/zinc/02/59/59/589025959.db2.gz FXCUEELSOOSZPM-UHFFFAOYSA-N 1 1 329.347 0.841 20 10 ECCDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900025389 586519363 /nfs/dbraw/zinc/51/93/63/586519363.db2.gz DUVCWPXHPRZXPS-PKOBYXMFSA-N 1 1 347.459 0.937 20 10 ECCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906856394 586990499 /nfs/dbraw/zinc/99/04/99/586990499.db2.gz RSYLSCUNAMRPIK-UHFFFAOYSA-N 1 1 332.448 0.971 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000874242941 590228133 /nfs/dbraw/zinc/22/81/33/590228133.db2.gz JWSOUQFMOJICRP-FZNQNYSPSA-N 1 1 333.432 0.704 20 10 ECCDMO COc1ccc(N2CC[NH+](CCN3C(=O)CNC3=O)CC2)c(OC)c1 ZINC000879463687 590313301 /nfs/dbraw/zinc/31/33/01/590313301.db2.gz MEMQGBADMVXOFA-UHFFFAOYSA-N 1 1 348.403 0.378 20 10 ECCDMO O=C(C[N@H+]1C[C@H]2C[C@@]2(O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000880417915 590391454 /nfs/dbraw/zinc/39/14/54/590391454.db2.gz XIXNQOOJWRNNIA-RDTXWAMCSA-N 1 1 349.406 0.345 20 10 ECCDMO O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000880417915 590391456 /nfs/dbraw/zinc/39/14/56/590391456.db2.gz XIXNQOOJWRNNIA-RDTXWAMCSA-N 1 1 349.406 0.345 20 10 ECCDMO COC(=O)CNC(=O)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000877706563 590478311 /nfs/dbraw/zinc/47/83/11/590478311.db2.gz NVIIUSSOSFQJAZ-UHFFFAOYSA-N 1 1 345.193 0.842 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@H](O)C[C@]2(C)CO)cc1 ZINC000878982550 590555154 /nfs/dbraw/zinc/55/51/54/590555154.db2.gz AUTSUPYTRQGHOE-SJLPKXTDSA-N 1 1 335.448 0.529 20 10 ECCDMO C[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1CC(N)=O ZINC000948075023 611410001 /nfs/dbraw/zinc/41/00/01/611410001.db2.gz WJXMROPEYNVBBB-ZWNOBZJWSA-N 1 1 346.391 0.917 20 10 ECCDMO C[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1CC(N)=O ZINC000948075023 611410003 /nfs/dbraw/zinc/41/00/03/611410003.db2.gz WJXMROPEYNVBBB-ZWNOBZJWSA-N 1 1 346.391 0.917 20 10 ECCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000930865896 609128747 /nfs/dbraw/zinc/12/87/47/609128747.db2.gz GXMTVXIRJQWPSV-RHSMWYFYSA-N 1 1 346.475 0.929 20 10 ECCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000930865896 609128748 /nfs/dbraw/zinc/12/87/48/609128748.db2.gz GXMTVXIRJQWPSV-RHSMWYFYSA-N 1 1 346.475 0.929 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000923278217 611223740 /nfs/dbraw/zinc/22/37/40/611223740.db2.gz RAUIGHHFPLOOJT-NVXWUHKLSA-N 1 1 334.464 0.211 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN(C)[C@H](C)C[NH3+])CC2)cc1 ZINC000923289433 611225322 /nfs/dbraw/zinc/22/53/22/611225322.db2.gz ILYYKYMRSNXHKO-WBVHZDCISA-N 1 1 336.480 0.457 20 10 ECCDMO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+]([C@H](C)C(N)=O)C1 ZINC000970953103 734118104 /nfs/dbraw/zinc/11/81/04/734118104.db2.gz CFCZRRQGPKAOSD-NXEZZACHSA-N 1 1 346.391 0.773 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@@H]2C[C@@H](C)N(C(C)=O)C2)cc1 ZINC000987649939 751053978 /nfs/dbraw/zinc/05/39/78/751053978.db2.gz ZICZPOHZIOUOGY-DGCLKSJQSA-N 1 1 330.392 0.770 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)/C=C\C2CC2)cc1 ZINC001125243534 760013481 /nfs/dbraw/zinc/01/34/81/760013481.db2.gz VKSAMVCYRSPNGJ-WTKPLQERSA-N 1 1 342.403 0.843 20 10 ECCDMO CCc1nc(N2CC=C(CCNC(=O)CC(N)=O)CC2)cc(C)[nH+]1 ZINC001089822000 767338748 /nfs/dbraw/zinc/33/87/48/767338748.db2.gz IPNUZNLCPUXKDW-UHFFFAOYSA-N 1 1 331.420 0.866 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]CCN(C)C(=O)C(F)F)cc1 ZINC001266624141 836059639 /nfs/dbraw/zinc/05/96/39/836059639.db2.gz RTBGQNJIYSCHNK-UHFFFAOYSA-N 1 1 340.334 0.484 20 10 ECCDMO COC(=O)CCNC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387128 436090798 /nfs/dbraw/zinc/09/07/98/436090798.db2.gz TUZUVDJBBXBCES-UHFFFAOYSA-N 1 1 349.431 0.634 20 10 ECCDMO COC(=O)CCNC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387128 436090802 /nfs/dbraw/zinc/09/08/02/436090802.db2.gz TUZUVDJBBXBCES-UHFFFAOYSA-N 1 1 349.431 0.634 20 10 ECCDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1COCC[NH2+]1 ZINC000165483878 436935356 /nfs/dbraw/zinc/93/53/56/436935356.db2.gz PEFXWUJXLKNKRD-KRWDZBQOSA-N 1 1 333.432 0.500 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281230794 436957193 /nfs/dbraw/zinc/95/71/93/436957193.db2.gz FIIRTZBGHYRSOJ-ZBFHGGJFSA-N 1 1 346.431 0.799 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281230794 436957196 /nfs/dbraw/zinc/95/71/96/436957196.db2.gz FIIRTZBGHYRSOJ-ZBFHGGJFSA-N 1 1 346.431 0.799 20 10 ECCDMO COc1ccc(N2CCN(C(=O)CN3CCC[N@@H+](C)CC3)CC2)cc1 ZINC000298687443 437046633 /nfs/dbraw/zinc/04/66/33/437046633.db2.gz XEXCOGCGXILCDH-UHFFFAOYSA-N 1 1 346.475 0.981 20 10 ECCDMO CN(C)c1ccc(C[N@H+](CC(=O)N2CCNC(=O)C2)C2CC2)cc1 ZINC000298731321 437049549 /nfs/dbraw/zinc/04/95/49/437049549.db2.gz SNQPBBAJIODKCL-UHFFFAOYSA-N 1 1 330.432 0.675 20 10 ECCDMO CN(C)c1ccc(C[N@@H+](CC(=O)N2CCNC(=O)C2)C2CC2)cc1 ZINC000298731321 437049551 /nfs/dbraw/zinc/04/95/51/437049551.db2.gz SNQPBBAJIODKCL-UHFFFAOYSA-N 1 1 330.432 0.675 20 10 ECCDMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000284934725 437073571 /nfs/dbraw/zinc/07/35/71/437073571.db2.gz ABCDVQBCCBMCJZ-LBPRGKRZSA-N 1 1 342.417 0.977 20 10 ECCDMO C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N1CC[NH+](C)CC1 ZINC000299563112 437089699 /nfs/dbraw/zinc/08/96/99/437089699.db2.gz BCSZIXDPKXMZNX-MRXNPFEDSA-N 1 1 346.475 0.775 20 10 ECCDMO COc1c(O)c(C[NH2+]CCNC(=O)c2ccn[nH]2)ccc1[N+](=O)[O-] ZINC000278497227 437319077 /nfs/dbraw/zinc/31/90/77/437319077.db2.gz MUUYBNSMJIOMEI-UHFFFAOYSA-N 1 1 335.320 0.552 20 10 ECCDMO C[C@H](O)C[NH+]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000189299499 437591135 /nfs/dbraw/zinc/59/11/35/437591135.db2.gz UROZBWKFHJNTML-INIZCTEOSA-N 1 1 348.491 0.709 20 10 ECCDMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c(O)c1O ZINC000371663711 437976491 /nfs/dbraw/zinc/97/64/91/437976491.db2.gz DXTSSOANPNQEAE-AWEZNQCLSA-N 1 1 349.431 0.543 20 10 ECCDMO CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)c3cccc(O)c3O)CC2)C1 ZINC000376552399 438285524 /nfs/dbraw/zinc/28/55/24/438285524.db2.gz CVIGTWDATVLQCA-AWEZNQCLSA-N 1 1 349.431 0.576 20 10 ECCDMO CC[N@H+]1CCO[C@H](CN2CCN(C(=O)c3cccc(O)c3O)CC2)C1 ZINC000376552399 438285529 /nfs/dbraw/zinc/28/55/29/438285529.db2.gz CVIGTWDATVLQCA-AWEZNQCLSA-N 1 1 349.431 0.576 20 10 ECCDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3cc(OC)c(OC)cc3O)CCN2C1=O ZINC000378443208 438386246 /nfs/dbraw/zinc/38/62/46/438386246.db2.gz RAOZZOLNOAMQKF-GFCCVEGCSA-N 1 1 349.387 0.878 20 10 ECCDMO CN(C)C(=O)CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000732576712 578327695 /nfs/dbraw/zinc/32/76/95/578327695.db2.gz NADIYWCOALEOPI-UHFFFAOYSA-N 1 1 346.475 0.729 20 10 ECCDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000785428975 578768709 /nfs/dbraw/zinc/76/87/09/578768709.db2.gz UISRYRUVHBMVLQ-UKRRQHHQSA-N 1 1 332.448 0.968 20 10 ECCDMO O=S1(=O)CC[C@H]([N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C2CC2)C1 ZINC000768441476 579125541 /nfs/dbraw/zinc/12/55/41/579125541.db2.gz JDFDSXODRUASDM-SWLSCSKDSA-N 1 1 339.413 0.970 20 10 ECCDMO O=S1(=O)CC[C@H]([N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C2CC2)C1 ZINC000768441476 579125542 /nfs/dbraw/zinc/12/55/42/579125542.db2.gz JDFDSXODRUASDM-SWLSCSKDSA-N 1 1 339.413 0.970 20 10 ECCDMO COCCNC(=O)CN1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840910272 588975002 /nfs/dbraw/zinc/97/50/02/588975002.db2.gz PUVCMGMOKOCRFE-UHFFFAOYSA-N 1 1 348.491 0.941 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)NC[C@@H](C)[NH3+])CC2)cc1 ZINC000841665880 588997004 /nfs/dbraw/zinc/99/70/04/588997004.db2.gz RRFBGLMIFMFFRH-OAHLLOKOSA-N 1 1 349.479 0.854 20 10 ECCDMO COCC[N@H+](CC(=O)N(C)C)Cc1ccc(OC)c(OC)c1O ZINC000891690629 586188863 /nfs/dbraw/zinc/18/88/63/586188863.db2.gz FYCVGRSYCKCEHO-UHFFFAOYSA-N 1 1 326.393 0.946 20 10 ECCDMO COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(OC)c(OC)c1O ZINC000891690629 586188864 /nfs/dbraw/zinc/18/88/64/586188864.db2.gz FYCVGRSYCKCEHO-UHFFFAOYSA-N 1 1 326.393 0.946 20 10 ECCDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(OC)c(OC)c3O)CCN2C1=O ZINC000892218871 586236186 /nfs/dbraw/zinc/23/61/86/586236186.db2.gz WNCQTYSCIYZPFS-LBPRGKRZSA-N 1 1 349.387 0.878 20 10 ECCDMO COc1ccc(N2CCN(C(=O)Cc3noc([C@@H](C)[NH3+])n3)CC2)cc1 ZINC000843218416 589054554 /nfs/dbraw/zinc/05/45/54/589054554.db2.gz YEUYMDDNJTWSDV-GFCCVEGCSA-N 1 1 345.403 0.989 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)CC2)cc1 ZINC000899940095 586514322 /nfs/dbraw/zinc/51/43/22/586514322.db2.gz FYGLDWMJAGBXDP-YJBOKZPZSA-N 1 1 333.432 0.799 20 10 ECCDMO COCCNC(=O)C1(NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000839193620 586840595 /nfs/dbraw/zinc/84/05/95/586840595.db2.gz UJLFBPHPZLDXAG-UHFFFAOYSA-N 1 1 346.475 0.823 20 10 ECCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000807100338 587118897 /nfs/dbraw/zinc/11/88/97/587118897.db2.gz JJNPAXHBFVHPQS-OAHLLOKOSA-N 1 1 332.448 0.888 20 10 ECCDMO CN1CC[N@H+](C)C[C@@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169003 587471332 /nfs/dbraw/zinc/47/13/32/587471332.db2.gz XJEAZFVMUOPFEC-CQSZACIVSA-N 1 1 332.404 0.402 20 10 ECCDMO CN1CC[N@@H+](C)C[C@@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169003 587471334 /nfs/dbraw/zinc/47/13/34/587471334.db2.gz XJEAZFVMUOPFEC-CQSZACIVSA-N 1 1 332.404 0.402 20 10 ECCDMO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000819584070 587483285 /nfs/dbraw/zinc/48/32/85/587483285.db2.gz CWRGKTUZLDKULT-RHSMWYFYSA-N 1 1 333.432 0.968 20 10 ECCDMO COc1ccc(N2CC[C@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000819584070 587483286 /nfs/dbraw/zinc/48/32/86/587483286.db2.gz CWRGKTUZLDKULT-RHSMWYFYSA-N 1 1 333.432 0.968 20 10 ECCDMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2=CC(=O)CS2)CC1=O ZINC000820848504 587560068 /nfs/dbraw/zinc/56/00/68/587560068.db2.gz UKRVBJXFMWVVFK-NSHDSACASA-N 1 1 341.433 0.363 20 10 ECCDMO Cc1cc(C(=O)Cn2nnnc2C[NH3+])c(C)n1-c1ccc(F)cn1 ZINC000830463345 588373091 /nfs/dbraw/zinc/37/30/91/588373091.db2.gz PTVOMCXYRGHUBD-UHFFFAOYSA-N 1 1 329.339 0.956 20 10 ECCDMO Cn1ccc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 ZINC000850356037 589364913 /nfs/dbraw/zinc/36/49/13/589364913.db2.gz NZAYEVAWMGNXTJ-UHFFFAOYSA-N 1 1 334.445 0.945 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)NC/C=C\CO)CC2)cc1 ZINC000853543065 589547503 /nfs/dbraw/zinc/54/75/03/589547503.db2.gz ZLKSFACRQFDUNI-IHWYPQMZSA-N 1 1 348.447 0.665 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)NC[C@]3(O)CC[N@@H+](C)C3)C2)cc1 ZINC000854299350 589577850 /nfs/dbraw/zinc/57/78/50/589577850.db2.gz ORYVJHLATCCYHN-KBXCAEBGSA-N 1 1 348.447 0.640 20 10 ECCDMO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000857758981 589703916 /nfs/dbraw/zinc/70/39/16/589703916.db2.gz VTLNOMBBGAYHLE-AWEZNQCLSA-N 1 1 349.431 0.633 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H]3COC(=O)[C@@H]3C1)cc2=O ZINC000860164981 589750375 /nfs/dbraw/zinc/75/03/75/589750375.db2.gz MBNTYJDIFGXHCO-BXKDBHETSA-N 1 1 346.343 0.216 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H]3COC[C@@H]3C1)cc2=O ZINC000872320241 590114752 /nfs/dbraw/zinc/11/47/52/590114752.db2.gz OLKYUAVANLUVFA-PHIMTYICSA-N 1 1 332.360 0.690 20 10 ECCDMO CONC(=O)C1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000879923697 590350767 /nfs/dbraw/zinc/35/07/67/590350767.db2.gz JRSYYJOIYFPDIX-UHFFFAOYSA-N 1 1 348.447 0.758 20 10 ECCDMO C[NH+]1CCN(c2ccc(CNS(=O)(=O)c3ncc[nH]3)cc2)CC1 ZINC000882662763 590571547 /nfs/dbraw/zinc/57/15/47/590571547.db2.gz LMEXLGQYDHTTTL-UHFFFAOYSA-N 1 1 335.433 0.640 20 10 ECCDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCc3ccc(N)cc3)CC[C@@H]21 ZINC000884693768 590899433 /nfs/dbraw/zinc/89/94/33/590899433.db2.gz NVNXWSMUMRVOBN-ZBFHGGJFSA-N 1 1 330.432 0.480 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN(C)[C@@H](C)C[NH3+])CC2)cc1 ZINC000923289430 611225035 /nfs/dbraw/zinc/22/50/35/611225035.db2.gz ILYYKYMRSNXHKO-DOTOQJQBSA-N 1 1 336.480 0.457 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3C[C@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000923411263 611240335 /nfs/dbraw/zinc/24/03/35/611240335.db2.gz BMNXISMOEAULMQ-JZXOWHBKSA-N 1 1 348.491 0.600 20 10 ECCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000929526822 611762216 /nfs/dbraw/zinc/76/22/16/611762216.db2.gz XVSUJZRUMJVFJF-INIZCTEOSA-N 1 1 332.448 0.969 20 10 ECCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)cc1 ZINC000929526822 611762218 /nfs/dbraw/zinc/76/22/18/611762218.db2.gz XVSUJZRUMJVFJF-INIZCTEOSA-N 1 1 332.448 0.969 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@](C)(O)C1)cc2=O ZINC000271071636 436677072 /nfs/dbraw/zinc/67/70/72/436677072.db2.gz VRRYIIMKNNJIQW-MRXNPFEDSA-N 1 1 334.376 0.958 20 10 ECCDMO CN(C)S(=O)(=O)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000286049529 437086001 /nfs/dbraw/zinc/08/60/01/437086001.db2.gz QZSWGNRKZMYMFT-UHFFFAOYSA-N 1 1 341.477 0.846 20 10 ECCDMO CN(C)S(=O)(=O)CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000286049529 437086005 /nfs/dbraw/zinc/08/60/05/437086005.db2.gz QZSWGNRKZMYMFT-UHFFFAOYSA-N 1 1 341.477 0.846 20 10 ECCDMO CCN1CCN(c2ccc(CNC(=O)[C@@H](C[NH3+])OC)cc2F)CC1 ZINC000290250148 437474043 /nfs/dbraw/zinc/47/40/43/437474043.db2.gz WHYGBDPWKBPSPY-MRXNPFEDSA-N 1 1 338.427 0.558 20 10 ECCDMO C[C@H](O)C[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)CO ZINC000190813438 437639373 /nfs/dbraw/zinc/63/93/73/437639373.db2.gz BVWBRLXSRRKCLU-GJZGRUSLSA-N 1 1 337.464 0.775 20 10 ECCDMO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)N1 ZINC000193467594 437708965 /nfs/dbraw/zinc/70/89/65/437708965.db2.gz BLDBIDZPNDHWBJ-SFHVURJKSA-N 1 1 344.415 0.697 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)cc1 ZINC000377727575 438324158 /nfs/dbraw/zinc/32/41/58/438324158.db2.gz RVVKKPNSADLGSK-GOEBONIOSA-N 1 1 330.432 0.437 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@@H](O)C[C@H]3C)CC2)cc1 ZINC000754083253 579412582 /nfs/dbraw/zinc/41/25/82/579412582.db2.gz YFWZRNQLTUERRU-NJAFHUGGSA-N 1 1 349.475 0.633 20 10 ECCDMO C[N@@H+](CCNC(=O)C(=O)NCCCSc1nccs1)C1CC1 ZINC000793935700 578567051 /nfs/dbraw/zinc/56/70/51/578567051.db2.gz GAFVJWGXICMZFE-UHFFFAOYSA-N 1 1 342.490 0.952 20 10 ECCDMO COC(=O)[C@]12C[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C[C@H]1COCC2 ZINC000794683829 578597871 /nfs/dbraw/zinc/59/78/71/578597871.db2.gz RCLPXRYATRGJSN-XLWVJDPXSA-N 1 1 349.383 0.830 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@@H+](C)[C@@H](C)C1)cc2=O ZINC000761068164 579520580 /nfs/dbraw/zinc/52/05/80/579520580.db2.gz GXIFUUYNTKVDLU-NSHDSACASA-N 1 1 333.392 0.748 20 10 ECCDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842185968 589018817 /nfs/dbraw/zinc/01/88/17/589018817.db2.gz CICFQPWXODUZLD-MRXNPFEDSA-N 1 1 348.447 0.155 20 10 ECCDMO C[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)S(C)(=O)=O ZINC000891256262 586157109 /nfs/dbraw/zinc/15/71/09/586157109.db2.gz WPBLPFIBYZSEIE-SWLSCSKDSA-N 1 1 341.477 0.905 20 10 ECCDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895126037 586165296 /nfs/dbraw/zinc/16/52/96/586165296.db2.gz UPVAKIPPWAQSIJ-NWDGAFQWSA-N 1 1 325.361 0.765 20 10 ECCDMO CCOc1ccc(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)c(O)c1 ZINC000897285329 586294195 /nfs/dbraw/zinc/29/41/95/586294195.db2.gz VJDDZYVBNQFLOJ-GFCCVEGCSA-N 1 1 327.406 0.125 20 10 ECCDMO CCOc1ccc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)c(O)c1 ZINC000897285329 586294198 /nfs/dbraw/zinc/29/41/98/586294198.db2.gz VJDDZYVBNQFLOJ-GFCCVEGCSA-N 1 1 327.406 0.125 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3c[nH]cn3)CC2)cc1 ZINC000900407267 586630012 /nfs/dbraw/zinc/63/00/12/586630012.db2.gz PSVUBKOYDTXLNZ-UHFFFAOYSA-N 1 1 343.431 0.899 20 10 ECCDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000843434121 589066911 /nfs/dbraw/zinc/06/69/11/589066911.db2.gz RIQUMAXTDPLWLZ-QWRGUYRKSA-N 1 1 340.332 0.665 20 10 ECCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(CO)COCCN2C)c1 ZINC000903277528 586774183 /nfs/dbraw/zinc/77/41/83/586774183.db2.gz BCQIHZUMTHONKM-SJKOYZFVSA-N 1 1 338.404 0.523 20 10 ECCDMO COC(=O)[C@](C)(O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000808732239 587159977 /nfs/dbraw/zinc/15/99/77/587159977.db2.gz LTGSQAUGENOOQW-MRXNPFEDSA-N 1 1 326.368 0.880 20 10 ECCDMO CN1CC[N@H+](C)C[C@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169001 587471305 /nfs/dbraw/zinc/47/13/05/587471305.db2.gz XJEAZFVMUOPFEC-AWEZNQCLSA-N 1 1 332.404 0.402 20 10 ECCDMO CN1CC[N@@H+](C)C[C@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169001 587471307 /nfs/dbraw/zinc/47/13/07/587471307.db2.gz XJEAZFVMUOPFEC-AWEZNQCLSA-N 1 1 332.404 0.402 20 10 ECCDMO COc1ccc(N2CC[C@H](CNC(=O)CN3CC[NH+](C)CC3)C2)cc1 ZINC000819584942 587483252 /nfs/dbraw/zinc/48/32/52/587483252.db2.gz VCALZILLXSFHIW-MRXNPFEDSA-N 1 1 346.475 0.885 20 10 ECCDMO O=C1NC(=O)N2CC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]12 ZINC000877167588 590442217 /nfs/dbraw/zinc/44/22/17/590442217.db2.gz CSQXFUJYRUHYDU-MRXNPFEDSA-N 1 1 344.415 0.384 20 10 ECCDMO O=C1NC(=O)N2CC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]12 ZINC000877167588 590442218 /nfs/dbraw/zinc/44/22/18/590442218.db2.gz CSQXFUJYRUHYDU-MRXNPFEDSA-N 1 1 344.415 0.384 20 10 ECCDMO COc1ccc(N(C)CCN(C)C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000931886625 611581684 /nfs/dbraw/zinc/58/16/84/611581684.db2.gz QARZSBQKTSVIRL-HNNXBMFYSA-N 1 1 348.447 0.410 20 10 ECCDMO COc1ccc(N(C)CCN(C)C(=O)C(=O)NC[C@@H]2CC[N@H+]2C)cc1 ZINC000931886625 611581687 /nfs/dbraw/zinc/58/16/87/611581687.db2.gz QARZSBQKTSVIRL-HNNXBMFYSA-N 1 1 348.447 0.410 20 10 ECCDMO NS(=O)(=O)C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000932944050 611689337 /nfs/dbraw/zinc/68/93/37/611689337.db2.gz BNCZSVRSKRRNGR-HNNXBMFYSA-N 1 1 339.461 0.634 20 10 ECCDMO O=C(/C=C\c1ccc(O)c(O)c1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912896848 610018092 /nfs/dbraw/zinc/01/80/92/610018092.db2.gz NPRHJGZESLLNPT-RQOWECAXSA-N 1 1 334.372 0.676 20 10 ECCDMO O=C(/C=C\c1ccc(O)c(O)c1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912896848 610018095 /nfs/dbraw/zinc/01/80/95/610018095.db2.gz NPRHJGZESLLNPT-RQOWECAXSA-N 1 1 334.372 0.676 20 10 ECCDMO CN1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918829662 610019508 /nfs/dbraw/zinc/01/95/08/610019508.db2.gz DWNYJPAJTHECTH-IEBWSBKVSA-N 1 1 346.475 0.510 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000923411262 611240258 /nfs/dbraw/zinc/24/02/58/611240258.db2.gz BMNXISMOEAULMQ-BQFCYCMXSA-N 1 1 348.491 0.600 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3C[C@@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC000923507704 611252688 /nfs/dbraw/zinc/25/26/88/611252688.db2.gz GCJISRBWRBPVBL-SZVBFZGTSA-N 1 1 348.491 0.457 20 10 ECCDMO C[C@H](C(N)=O)[N@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013810 743192274 /nfs/dbraw/zinc/19/22/74/743192274.db2.gz IHJDPWNDTBPRQN-GHMZBOCLSA-N 1 1 346.391 0.775 20 10 ECCDMO C[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004242352 749351889 /nfs/dbraw/zinc/35/18/89/749351889.db2.gz LARUJUACRWJGBB-JTQLQIEISA-N 1 1 346.391 0.917 20 10 ECCDMO CNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028344528 752440651 /nfs/dbraw/zinc/44/06/51/752440651.db2.gz IVGXQTVXPAVMFR-CYBMUJFWSA-N 1 1 346.391 0.789 20 10 ECCDMO CNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028344528 752440655 /nfs/dbraw/zinc/44/06/55/752440655.db2.gz IVGXQTVXPAVMFR-CYBMUJFWSA-N 1 1 346.391 0.789 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)Cn3ncnn3)CC2)nc(C)[nH+]1 ZINC001089845566 763148989 /nfs/dbraw/zinc/14/89/89/763148989.db2.gz VJLSHOXFULADQI-UHFFFAOYSA-N 1 1 342.407 0.423 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cccn3)C2)cc(OC)n1 ZINC001015104242 763889369 /nfs/dbraw/zinc/88/93/69/763889369.db2.gz RIGRGTMBLXAVCA-CQSZACIVSA-N 1 1 345.403 0.800 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)Cn3cnnn3)CC2)nc(C)[nH+]1 ZINC001089801097 767225374 /nfs/dbraw/zinc/22/53/74/767225374.db2.gz YGEINSWPGXGCIU-UHFFFAOYSA-N 1 1 342.407 0.423 20 10 ECCDMO CNC(=O)CC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089823026 767339356 /nfs/dbraw/zinc/33/93/56/767339356.db2.gz UYCDCQYBSBVGRG-UHFFFAOYSA-N 1 1 331.420 0.872 20 10 ECCDMO C[N@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccccc1O ZINC000109772152 436625488 /nfs/dbraw/zinc/62/54/88/436625488.db2.gz BTNYFRGMAPWSQL-UHFFFAOYSA-N 1 1 344.371 0.474 20 10 ECCDMO COc1ccc(N2CC[NH+](CCN3C(=O)N[C@@H](C)C3=O)CC2)cc1 ZINC000272335852 436711947 /nfs/dbraw/zinc/71/19/47/436711947.db2.gz DHJMBXWITBNPQB-ZDUSSCGKSA-N 1 1 332.404 0.758 20 10 ECCDMO COc1cccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c1O ZINC000271042985 436677958 /nfs/dbraw/zinc/67/79/58/436677958.db2.gz PKIKOLRISDYMOJ-UHFFFAOYSA-N 1 1 349.431 0.377 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@](C)(C(N)=O)C1)cc2=O ZINC000280753979 436917482 /nfs/dbraw/zinc/91/74/82/436917482.db2.gz NNFBVZYOYOCZBL-MRXNPFEDSA-N 1 1 347.375 0.309 20 10 ECCDMO CNS(=O)(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000285247957 437078385 /nfs/dbraw/zinc/07/83/85/437078385.db2.gz WRJHJMPWGMTEPW-UHFFFAOYSA-N 1 1 342.465 0.261 20 10 ECCDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCN2C1=O ZINC000362016065 437713702 /nfs/dbraw/zinc/71/37/02/437713702.db2.gz YFZGZGLZTGILQV-NSHDSACASA-N 1 1 333.344 0.589 20 10 ECCDMO O=C(C[NH+]1CCC(NC(=O)c2cccc(O)c2O)CC1)N1CCCC1 ZINC000366091800 438017900 /nfs/dbraw/zinc/01/79/00/438017900.db2.gz MLEJEHJJHCUNHM-UHFFFAOYSA-N 1 1 347.415 0.914 20 10 ECCDMO COc1c([O-])c(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366554459 438090704 /nfs/dbraw/zinc/09/07/04/438090704.db2.gz LPPAXHVSCBLOLA-NXEZZACHSA-N 1 1 335.316 0.404 20 10 ECCDMO COc1c(O)c(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366554459 438090710 /nfs/dbraw/zinc/09/07/10/438090710.db2.gz LPPAXHVSCBLOLA-NXEZZACHSA-N 1 1 335.316 0.404 20 10 ECCDMO COc1c(O)c(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366554459 438090714 /nfs/dbraw/zinc/09/07/14/438090714.db2.gz LPPAXHVSCBLOLA-NXEZZACHSA-N 1 1 335.316 0.404 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H](O)C4(CC4)C3)CC2)cc1 ZINC000372293424 438065491 /nfs/dbraw/zinc/06/54/91/438065491.db2.gz DLZHWNGLHRFLLL-QGZVFWFLSA-N 1 1 345.443 0.801 20 10 ECCDMO COc1c([O-])c(CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000368036394 438280374 /nfs/dbraw/zinc/28/03/74/438280374.db2.gz IVSHOZZUQUQRPZ-JOYOIKCWSA-N 1 1 342.373 0.928 20 10 ECCDMO Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(O)c1O ZINC000368436806 438329818 /nfs/dbraw/zinc/32/98/18/438329818.db2.gz ZPIXVKLTDJKKFR-CQSZACIVSA-N 1 1 347.415 0.961 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1 ZINC000368239216 438304372 /nfs/dbraw/zinc/30/43/72/438304372.db2.gz HTFDLIKMZBGCCZ-WBVHZDCISA-N 1 1 344.459 0.779 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@@H](C)[C@@H](O)C3)CC2)cc1 ZINC000754097196 579412873 /nfs/dbraw/zinc/41/28/73/579412873.db2.gz MHLFRDJVDLTCCV-AYBZRNKSSA-N 1 1 349.475 0.491 20 10 ECCDMO CC[N@@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@H]1C ZINC000754505532 579418884 /nfs/dbraw/zinc/41/88/84/579418884.db2.gz BOJJKWKXNMZNML-LLVKDONJSA-N 1 1 341.433 0.930 20 10 ECCDMO CC[N@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@H]1C ZINC000754505532 579418885 /nfs/dbraw/zinc/41/88/85/579418885.db2.gz BOJJKWKXNMZNML-LLVKDONJSA-N 1 1 341.433 0.930 20 10 ECCDMO CCN(C)c1ccc(C[NH+]2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000773793368 579234115 /nfs/dbraw/zinc/23/41/15/579234115.db2.gz VNJSZXRIZAKSOS-UHFFFAOYSA-N 1 1 340.493 0.549 20 10 ECCDMO C[N@H+]1CC[C@](O)(CNC(=O)NCCCSc2nccs2)C1 ZINC000763144508 579556073 /nfs/dbraw/zinc/55/60/73/579556073.db2.gz XTDFLSGYXZHBRK-ZDUSSCGKSA-N 1 1 330.479 0.991 20 10 ECCDMO C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@@H+]1C ZINC000748351919 579857953 /nfs/dbraw/zinc/85/79/53/579857953.db2.gz XKAGQAGCKQHZGD-JTQLQIEISA-N 1 1 327.406 0.540 20 10 ECCDMO C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@H+]1C ZINC000748351919 579857954 /nfs/dbraw/zinc/85/79/54/579857954.db2.gz XKAGQAGCKQHZGD-JTQLQIEISA-N 1 1 327.406 0.540 20 10 ECCDMO CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)C[C@H](O)CN2C)[NH+](C)C)cc1 ZINC000891245377 586088933 /nfs/dbraw/zinc/08/89/33/586088933.db2.gz DAUSSNKOHPWSSA-JENIJYKNSA-N 1 1 348.491 0.927 20 10 ECCDMO C/C=C/[C@H](O)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000900405669 586629901 /nfs/dbraw/zinc/62/99/01/586629901.db2.gz BZDPEVHBDKXZBX-IDOMTICXSA-N 1 1 333.432 0.870 20 10 ECCDMO CN(C)c1ccc([C@H](CNS(=O)(=O)C2C[NH2+]C2)N(C)C)cc1 ZINC000903598739 586794504 /nfs/dbraw/zinc/79/45/04/586794504.db2.gz PVFPVWPJOXEZED-HNNXBMFYSA-N 1 1 326.466 0.247 20 10 ECCDMO COc1c(O)c(C[NH2+][C@@H]2CCc3nnnn3CC2)ccc1[N+](=O)[O-] ZINC000817418666 587341721 /nfs/dbraw/zinc/34/17/21/587341721.db2.gz BBGDOXQPBNYBNG-SNVBAGLBSA-N 1 1 334.336 0.790 20 10 ECCDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000817676314 587346149 /nfs/dbraw/zinc/34/61/49/587346149.db2.gz DKBXFRHLQHLHQZ-GFCCVEGCSA-N 1 1 341.433 0.930 20 10 ECCDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000825293993 587929943 /nfs/dbraw/zinc/92/99/43/587929943.db2.gz XVUQMNXLEBFGCW-GQCTYLIASA-N 1 1 333.388 0.343 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000844225028 589103896 /nfs/dbraw/zinc/10/38/96/589103896.db2.gz VQJPYKOPPRXTNQ-UHFFFAOYSA-N 1 1 334.464 0.497 20 10 ECCDMO Cc1ccc(O)c(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000875068695 590267488 /nfs/dbraw/zinc/26/74/88/590267488.db2.gz PQSUQQLSXIOJPU-UHFFFAOYSA-N 1 1 334.420 0.664 20 10 ECCDMO Cc1ccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(O)c1 ZINC000876623778 590392427 /nfs/dbraw/zinc/39/24/27/590392427.db2.gz UJSJSTIDXLMBIB-UHFFFAOYSA-N 1 1 345.399 0.494 20 10 ECCDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000882484347 590553983 /nfs/dbraw/zinc/55/39/83/590553983.db2.gz AWOYIXHILOMMRN-NSHDSACASA-N 1 1 327.406 0.588 20 10 ECCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000930865895 609128727 /nfs/dbraw/zinc/12/87/27/609128727.db2.gz GXMTVXIRJQWPSV-PBHICJAKSA-N 1 1 346.475 0.929 20 10 ECCDMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000930865895 609128728 /nfs/dbraw/zinc/12/87/28/609128728.db2.gz GXMTVXIRJQWPSV-PBHICJAKSA-N 1 1 346.475 0.929 20 10 ECCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)CN1CCOCC1 ZINC000154190653 609950200 /nfs/dbraw/zinc/95/02/00/609950200.db2.gz IEKFSTUVKBYFEI-IBGZPJMESA-N 1 1 349.475 0.648 20 10 ECCDMO C[C@@H](C(=O)Nc1ccc(O)c(CNC(=O)[C@H](C)[NH+](C)C)c1)N(C)C ZINC000923121205 611204163 /nfs/dbraw/zinc/20/41/63/611204163.db2.gz YFTKTYQRHVDEAL-RYUDHWBXSA-N 1 1 336.436 0.847 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3CC[NH2+]C[C@H]3C)CC2)cc1 ZINC000923279794 611224365 /nfs/dbraw/zinc/22/43/65/611224365.db2.gz DAXNQGKOBGOGHK-SJLPKXTDSA-N 1 1 348.491 0.472 20 10 ECCDMO CCN1C(=O)C(=CNC[C@H]2CCC[N@H+]2CC)C(=O)N(CC)C1=S ZINC000028843123 745103208 /nfs/dbraw/zinc/10/32/08/745103208.db2.gz MOVVXQXQWKOBFO-GFCCVEGCSA-N 1 1 338.477 0.940 20 10 ECCDMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004243274 749352588 /nfs/dbraw/zinc/35/25/88/749352588.db2.gz POCIUAKPPATWTR-UHFFFAOYSA-N 1 1 332.364 0.529 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)[C@H]3CCNC3=O)CC2)nc(C)[nH+]1 ZINC001089856179 763230619 /nfs/dbraw/zinc/23/06/19/763230619.db2.gz VZQCVSJCZPBJHM-OAHLLOKOSA-N 1 1 343.431 0.872 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)nc(C)[nH+]1 ZINC001089866059 764162567 /nfs/dbraw/zinc/16/25/67/764162567.db2.gz BGTZOOPPFVGJME-CABCVRRESA-N 1 1 343.431 0.858 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001016379875 766200405 /nfs/dbraw/zinc/20/04/05/766200405.db2.gz ATZPFFDCPIXGNU-QWHCGFSZSA-N 1 1 344.375 0.542 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001016379875 766200409 /nfs/dbraw/zinc/20/04/09/766200409.db2.gz ATZPFFDCPIXGNU-QWHCGFSZSA-N 1 1 344.375 0.542 20 10 ECCDMO CCc1cc(N2CC=C(CCNC(=O)CNC(N)=O)CC2)nc(C)[nH+]1 ZINC001089804434 767227041 /nfs/dbraw/zinc/22/70/41/767227041.db2.gz IHACAGGZGZHHAW-UHFFFAOYSA-N 1 1 346.435 0.659 20 10 ECCDMO O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[NH+](CCO)CC1 ZINC000108905541 254491339 /nfs/dbraw/zinc/49/13/39/254491339.db2.gz DJXMDLXHEUYPKS-ZZXKWVIFSA-N 1 1 345.443 0.673 20 10 ECCDMO COc1cc(O)c(C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1OC ZINC000271843287 436694837 /nfs/dbraw/zinc/69/48/37/436694837.db2.gz UCLYQSXEHFHEME-UHFFFAOYSA-N 1 1 349.431 0.806 20 10 ECCDMO COCC[NH+]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000194605793 436669715 /nfs/dbraw/zinc/66/97/15/436669715.db2.gz DUSKKSQSJUTOJF-UHFFFAOYSA-N 1 1 348.491 0.975 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](O)CC1)cc2=O ZINC000293074628 436847725 /nfs/dbraw/zinc/84/77/25/436847725.db2.gz JEWQKLNLXLMPRR-GFCCVEGCSA-N 1 1 334.376 0.958 20 10 ECCDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000284934722 437073732 /nfs/dbraw/zinc/07/37/32/437073732.db2.gz ABCDVQBCCBMCJZ-GFCCVEGCSA-N 1 1 342.417 0.977 20 10 ECCDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000299484425 437081561 /nfs/dbraw/zinc/08/15/61/437081561.db2.gz ZRNVLDBTTMGMBW-HZPDHXFCSA-N 1 1 348.491 0.756 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@@H]1CCC[C@H]1O)cc2=O ZINC000286465934 437090577 /nfs/dbraw/zinc/09/05/77/437090577.db2.gz KPVHWWUHFNGGJF-CHWSQXEVSA-N 1 1 334.376 0.957 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@H](O)C[C@H]3C)CC2)cc1 ZINC000754083254 579412629 /nfs/dbraw/zinc/41/26/29/579412629.db2.gz YFWZRNQLTUERRU-NXHRZFHOSA-N 1 1 349.475 0.633 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H](C)[C@H](O)C3)CC2)cc1 ZINC000768772597 579131281 /nfs/dbraw/zinc/13/12/81/579131281.db2.gz ZZRYAEPKEHKXGB-RHSMWYFYSA-N 1 1 333.432 0.656 20 10 ECCDMO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000771408349 579188935 /nfs/dbraw/zinc/18/89/35/579188935.db2.gz ULHMCTVMYJVJOX-QWRGUYRKSA-N 1 1 341.433 0.928 20 10 ECCDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000771408349 579188936 /nfs/dbraw/zinc/18/89/36/579188936.db2.gz ULHMCTVMYJVJOX-QWRGUYRKSA-N 1 1 341.433 0.928 20 10 ECCDMO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000771408351 579188963 /nfs/dbraw/zinc/18/89/63/579188963.db2.gz ULHMCTVMYJVJOX-WDEREUQCSA-N 1 1 341.433 0.928 20 10 ECCDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000771408351 579188964 /nfs/dbraw/zinc/18/89/64/579188964.db2.gz ULHMCTVMYJVJOX-WDEREUQCSA-N 1 1 341.433 0.928 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000779217897 579314278 /nfs/dbraw/zinc/31/42/78/579314278.db2.gz JJRCOJJWKVGBTM-ZWKOTPCHSA-N 1 1 349.475 0.635 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)NC(C)=O)CC2)cc1 ZINC000742917178 579792963 /nfs/dbraw/zinc/79/29/63/579792963.db2.gz SFAGNEXTOJNZOK-CQSZACIVSA-N 1 1 348.447 0.458 20 10 ECCDMO C[NH+]1CCN(C(=O)CCNC(=O)NCCc2ccc(N)cc2)CC1 ZINC000841693914 588998608 /nfs/dbraw/zinc/99/86/08/588998608.db2.gz SPLOFQAGXCRBPA-UHFFFAOYSA-N 1 1 333.436 0.275 20 10 ECCDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C[N@H+]1C1CC1 ZINC000842165807 589016108 /nfs/dbraw/zinc/01/61/08/589016108.db2.gz HUMHUTQFYWQXOF-IUODEOHRSA-N 1 1 330.432 0.669 20 10 ECCDMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842171153 589016855 /nfs/dbraw/zinc/01/68/55/589016855.db2.gz PCLHPPWANUQGTQ-UHFFFAOYSA-N 1 1 338.358 0.389 20 10 ECCDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892046084 586218303 /nfs/dbraw/zinc/21/83/03/586218303.db2.gz MTIOIUYKEQPIAA-LBPRGKRZSA-N 1 1 344.433 0.923 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000892938581 586301782 /nfs/dbraw/zinc/30/17/82/586301782.db2.gz BCVQEQLCMHBZED-GOSISDBHSA-N 1 1 331.464 0.990 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000892938582 586301992 /nfs/dbraw/zinc/30/19/92/586301992.db2.gz BCVQEQLCMHBZED-SFHVURJKSA-N 1 1 331.464 0.990 20 10 ECCDMO OCCN1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902641913 586749718 /nfs/dbraw/zinc/74/97/18/586749718.db2.gz CFPOQMKOQFMVQG-INMHGKMJSA-N 1 1 334.416 0.849 20 10 ECCDMO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902641913 586749721 /nfs/dbraw/zinc/74/97/21/586749721.db2.gz CFPOQMKOQFMVQG-INMHGKMJSA-N 1 1 334.416 0.849 20 10 ECCDMO OCC[N@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902641913 586749723 /nfs/dbraw/zinc/74/97/23/586749723.db2.gz CFPOQMKOQFMVQG-INMHGKMJSA-N 1 1 334.416 0.849 20 10 ECCDMO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CSC[NH2+]3)cc2)C1 ZINC000844174940 589098826 /nfs/dbraw/zinc/09/88/26/589098826.db2.gz FBHXWGNCQRRIRU-UKRRQHHQSA-N 1 1 348.472 0.667 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)cc1 ZINC000824285212 587865591 /nfs/dbraw/zinc/86/55/91/587865591.db2.gz BIPXJZZDWKDFES-PIIMJCKOSA-N 1 1 345.443 0.826 20 10 ECCDMO COc1c(O)c(CN2CC[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000825338384 587933585 /nfs/dbraw/zinc/93/35/85/587933585.db2.gz PSHHQRZDWCFSAW-LLVKDONJSA-N 1 1 325.365 0.807 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC3(COC3)C1)cc2=O ZINC000852683621 589506111 /nfs/dbraw/zinc/50/61/11/589506111.db2.gz MTJBYYPYKNSGHV-UHFFFAOYSA-N 1 1 332.360 0.834 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)CN2CC[N@H+](C)C[C@H]2CO)cc1 ZINC000879003603 590558023 /nfs/dbraw/zinc/55/80/23/590558023.db2.gz NHPYASFZARDJPK-KRWDZBQOSA-N 1 1 334.464 0.319 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)CN2CC[N@@H+](C)C[C@H]2CO)cc1 ZINC000879003603 590558026 /nfs/dbraw/zinc/55/80/26/590558026.db2.gz NHPYASFZARDJPK-KRWDZBQOSA-N 1 1 334.464 0.319 20 10 ECCDMO C[N@H+]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CCC1(C)C ZINC000884693928 590899167 /nfs/dbraw/zinc/89/91/67/590899167.db2.gz UARKECHNZCVCDU-UHFFFAOYSA-N 1 1 332.448 0.870 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCNC(=O)CC2(C)C)cc1 ZINC000931203254 611518777 /nfs/dbraw/zinc/51/87/77/611518777.db2.gz ARKRBBHJTVKVQE-UHFFFAOYSA-N 1 1 332.448 0.969 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCNC(=O)CC2(C)C)cc1 ZINC000931203254 611518781 /nfs/dbraw/zinc/51/87/81/611518781.db2.gz ARKRBBHJTVKVQE-UHFFFAOYSA-N 1 1 332.448 0.969 20 10 ECCDMO O=C(NC1CC1)C(=O)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000917467402 609974378 /nfs/dbraw/zinc/97/43/78/609974378.db2.gz AMUWLEQNVPGKKI-UHFFFAOYSA-N 1 1 343.427 0.804 20 10 ECCDMO CO[C@H]1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[N@@H+](C)C1 ZINC000918852869 610020813 /nfs/dbraw/zinc/02/08/13/610020813.db2.gz YJAQDOWJYVHGIR-ROUUACIJSA-N 1 1 346.475 0.774 20 10 ECCDMO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000923280890 611224014 /nfs/dbraw/zinc/22/40/14/611224014.db2.gz JROJAHXJJPBXNM-FUHWJXTLSA-N 1 1 348.491 0.459 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@H]3C[NH3+])CC2)cc1 ZINC000923292300 611225442 /nfs/dbraw/zinc/22/54/42/611225442.db2.gz HIQCVEIIAUPEOE-ROUUACIJSA-N 1 1 348.491 0.601 20 10 ECCDMO O=S1(=O)C[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]2C1 ZINC000933720774 611744061 /nfs/dbraw/zinc/74/40/61/611744061.db2.gz ZVQJEZHAOAMXTI-IYBDPMFKSA-N 1 1 336.457 1.000 20 10 ECCDMO COc1ccc(N2CC[NH+](CCCNC(=O)CN(C)C)CC2)cc1 ZINC000193557530 612337307 /nfs/dbraw/zinc/33/73/07/612337307.db2.gz YARGGRFLJOIEEY-UHFFFAOYSA-N 1 1 334.464 0.885 20 10 ECCDMO NC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013760 743190905 /nfs/dbraw/zinc/19/09/05/743190905.db2.gz GQNJSIPNMPEMOD-JTQLQIEISA-N 1 1 332.364 0.386 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCO)C[C@H]3C2)cc(OC)n1 ZINC000980141154 749052805 /nfs/dbraw/zinc/05/28/05/749052805.db2.gz MKSNORWZXZJJRQ-BPLDGKMQSA-N 1 1 349.431 0.921 20 10 ECCDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001004243495 749352641 /nfs/dbraw/zinc/35/26/41/749352641.db2.gz VMBYWKXEDQQDJW-UHFFFAOYSA-N 1 1 346.391 0.789 20 10 ECCDMO C[C@@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980511069 749659840 /nfs/dbraw/zinc/65/98/40/749659840.db2.gz NQXMZKXARXAMBI-GXFFZTMASA-N 1 1 346.391 0.869 20 10 ECCDMO C[N@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980520575 749688772 /nfs/dbraw/zinc/68/87/72/749688772.db2.gz IHOPNHLRHSSHON-LBPRGKRZSA-N 1 1 332.364 0.481 20 10 ECCDMO C[N@@H+](CC(N)=O)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980520575 749688775 /nfs/dbraw/zinc/68/87/75/749688775.db2.gz IHOPNHLRHSSHON-LBPRGKRZSA-N 1 1 332.364 0.481 20 10 ECCDMO COc1cc(C(=O)NC2C[NH+](C[C@H]3CCCOC3)C2)cc(OC)n1 ZINC001030612545 764279083 /nfs/dbraw/zinc/27/90/83/764279083.db2.gz SGZGAYDPOAFUSW-GFCCVEGCSA-N 1 1 335.404 0.939 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001016379873 766200340 /nfs/dbraw/zinc/20/03/40/766200340.db2.gz ATZPFFDCPIXGNU-CHWSQXEVSA-N 1 1 344.375 0.542 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)cc1 ZINC001016379873 766200347 /nfs/dbraw/zinc/20/03/47/766200347.db2.gz ATZPFFDCPIXGNU-CHWSQXEVSA-N 1 1 344.375 0.542 20 10 ECCDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000081266326 436339663 /nfs/dbraw/zinc/33/96/63/436339663.db2.gz CDQBCRONHSAJJN-MRXNPFEDSA-N 1 1 337.395 0.609 20 10 ECCDMO C[N@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000081266326 436339669 /nfs/dbraw/zinc/33/96/69/436339669.db2.gz CDQBCRONHSAJJN-MRXNPFEDSA-N 1 1 337.395 0.609 20 10 ECCDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cccc(O)c3O)CC2)CC1 ZINC000274899348 436888716 /nfs/dbraw/zinc/88/87/16/436888716.db2.gz PCPPFPBCJNBRSA-UHFFFAOYSA-N 1 1 347.415 0.724 20 10 ECCDMO CC[N@@H+](CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000283304405 437027527 /nfs/dbraw/zinc/02/75/27/437027527.db2.gz BAEDYRRFQNQJMV-UHFFFAOYSA-N 1 1 332.448 0.969 20 10 ECCDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000299292420 437066748 /nfs/dbraw/zinc/06/67/48/437066748.db2.gz QAAQZHZMTICHRP-NSHDSACASA-N 1 1 327.406 0.588 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CCCOCC3)CC2)cc1 ZINC000754031328 579411363 /nfs/dbraw/zinc/41/13/63/579411363.db2.gz HAJDIPLEXGCYBX-GOSISDBHSA-N 1 1 349.475 0.900 20 10 ECCDMO CN(C)c1ccc(CNC(=O)CN2CC[N@@H+](CCO)C(C)(C)C2)cc1 ZINC000781960131 578717379 /nfs/dbraw/zinc/71/73/79/578717379.db2.gz DWQCMVDOULGVNG-UHFFFAOYSA-N 1 1 348.491 0.757 20 10 ECCDMO C[N@@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C(C)(C)C1 ZINC000770155403 579161048 /nfs/dbraw/zinc/16/10/48/579161048.db2.gz ANMJUCRMFFHXCB-UHFFFAOYSA-N 1 1 341.433 0.930 20 10 ECCDMO C[N@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C(C)(C)C1 ZINC000770155403 579161049 /nfs/dbraw/zinc/16/10/49/579161049.db2.gz ANMJUCRMFFHXCB-UHFFFAOYSA-N 1 1 341.433 0.930 20 10 ECCDMO COc1ccc(N2CC[NH+](CCCNC(=O)c3ncn[nH]3)CC2)cc1 ZINC000772779464 579214794 /nfs/dbraw/zinc/21/47/94/579214794.db2.gz QYQLGXCOXLYQFM-UHFFFAOYSA-N 1 1 344.419 0.755 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H](CO)C3)CC2)cc1 ZINC000779221936 579314305 /nfs/dbraw/zinc/31/43/05/579314305.db2.gz DJQHVXIMTPTKAX-AEFFLSMTSA-N 1 1 349.475 0.492 20 10 ECCDMO CCN1CCN(c2ccc(CNC(=O)NCC[NH2+]C)cc2F)CC1 ZINC000841792408 589001197 /nfs/dbraw/zinc/00/11/97/589001197.db2.gz BTBSTFFIJWLZLX-UHFFFAOYSA-N 1 1 337.443 0.986 20 10 ECCDMO C[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)S(C)(=O)=O ZINC000891256260 586157044 /nfs/dbraw/zinc/15/70/44/586157044.db2.gz WPBLPFIBYZSEIE-DOMZBBRYSA-N 1 1 341.477 0.905 20 10 ECCDMO COc1ccc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1OC ZINC000894583967 586402248 /nfs/dbraw/zinc/40/22/48/586402248.db2.gz DJHKXOQISBNXJP-LBPRGKRZSA-N 1 1 344.433 0.875 20 10 ECCDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000843434122 589066838 /nfs/dbraw/zinc/06/68/38/589066838.db2.gz RIQUMAXTDPLWLZ-WDEREUQCSA-N 1 1 340.332 0.665 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]C[C@@H](O)C[C@@]3(O)CCOC3)cc2)CC1 ZINC000905427848 586893917 /nfs/dbraw/zinc/89/39/17/586893917.db2.gz OGPBVIDVEOECCH-OALUTQOASA-N 1 1 349.475 0.430 20 10 ECCDMO COC(=O)[C@@](C)(O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000808732238 587160154 /nfs/dbraw/zinc/16/01/54/587160154.db2.gz LTGSQAUGENOOQW-INIZCTEOSA-N 1 1 326.368 0.880 20 10 ECCDMO O=C1COc2cc([N+](=O)[O-])c(N3CC([N@@H+]4CC[C@@H](O)C4)C3)cc2N1 ZINC000826573925 588071394 /nfs/dbraw/zinc/07/13/94/588071394.db2.gz MNVGHBAQLBSDTL-SNVBAGLBSA-N 1 1 334.332 0.181 20 10 ECCDMO O=C1COc2cc([N+](=O)[O-])c(N3CC([N@H+]4CC[C@@H](O)C4)C3)cc2N1 ZINC000826573925 588071396 /nfs/dbraw/zinc/07/13/96/588071396.db2.gz MNVGHBAQLBSDTL-SNVBAGLBSA-N 1 1 334.332 0.181 20 10 ECCDMO COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1 ZINC000846441956 589201800 /nfs/dbraw/zinc/20/18/00/589201800.db2.gz GXYKFWRBNQYVJS-GOSISDBHSA-N 1 1 346.475 0.980 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C[C@@H](C)O)C1CC1)cc2=O ZINC000847092336 589235191 /nfs/dbraw/zinc/23/51/91/589235191.db2.gz DKFRHOJALJLMME-SNVBAGLBSA-N 1 1 334.376 0.957 20 10 ECCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]2(OCCO)CCOC2)c1 ZINC000850507555 589368906 /nfs/dbraw/zinc/36/89/06/589368906.db2.gz JWBAIIVSQZGITA-SJKOYZFVSA-N 1 1 339.388 0.997 20 10 ECCDMO COc1ccc(N2CC[C@@H](NC(=O)NC[C@]3(O)CC[N@@H+](C)C3)C2)cc1 ZINC000854299353 589578053 /nfs/dbraw/zinc/57/80/53/589578053.db2.gz ORYVJHLATCCYHN-RDTXWAMCSA-N 1 1 348.447 0.640 20 10 ECCDMO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000859782537 589716018 /nfs/dbraw/zinc/71/60/18/589716018.db2.gz RREUCIVVUQSWMU-UHFFFAOYSA-N 1 1 332.448 0.923 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000859822527 589717535 /nfs/dbraw/zinc/71/75/35/589717535.db2.gz RPVTWQCIBNHCHS-KDURUIRLSA-N 1 1 349.475 0.682 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000859822527 589717540 /nfs/dbraw/zinc/71/75/40/589717540.db2.gz RPVTWQCIBNHCHS-KDURUIRLSA-N 1 1 349.475 0.682 20 10 ECCDMO C[C@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cc(F)cc(F)c1O ZINC000866551543 589749349 /nfs/dbraw/zinc/74/93/49/589749349.db2.gz AQMXHYVXARJLQG-QFYYESIMSA-N 1 1 342.342 0.949 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC000872321040 590114593 /nfs/dbraw/zinc/11/45/93/590114593.db2.gz QFLTVFIUZVELCE-IYBDPMFKSA-N 1 1 345.443 0.922 20 10 ECCDMO CN(Cc1ccccc1O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000875800917 590333074 /nfs/dbraw/zinc/33/30/74/590333074.db2.gz TUSDMNIGKKLHFM-AWEZNQCLSA-N 1 1 334.420 0.873 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CC[N@@H+]3C)C2)cc1 ZINC000931887319 611582056 /nfs/dbraw/zinc/58/20/56/611582056.db2.gz UFBUWGQYFQQJEC-DZGCQCFKSA-N 1 1 346.431 0.210 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CC[N@H+]3C)C2)cc1 ZINC000931887319 611582058 /nfs/dbraw/zinc/58/20/58/611582058.db2.gz UFBUWGQYFQQJEC-DZGCQCFKSA-N 1 1 346.431 0.210 20 10 ECCDMO C[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945220225 610960797 /nfs/dbraw/zinc/96/07/97/610960797.db2.gz GOLBHVMOHIZSQD-ZWNOBZJWSA-N 1 1 346.391 0.775 20 10 ECCDMO C[C@@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945220225 610960800 /nfs/dbraw/zinc/96/08/00/610960800.db2.gz GOLBHVMOHIZSQD-ZWNOBZJWSA-N 1 1 346.391 0.775 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000923282493 611224322 /nfs/dbraw/zinc/22/43/22/611224322.db2.gz SQCVRTXVQUBGFJ-FUHWJXTLSA-N 1 1 348.491 0.601 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000923409616 611239890 /nfs/dbraw/zinc/23/98/90/611239890.db2.gz CASOKQYVIQNPTI-RYQLBKOJSA-N 1 1 346.475 0.224 20 10 ECCDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@H]1C ZINC000842242632 611313210 /nfs/dbraw/zinc/31/32/10/611313210.db2.gz UFYVBHXCKLVCBK-ZIAGYGMSSA-N 1 1 332.448 0.869 20 10 ECCDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@H]1C ZINC000842242632 611313212 /nfs/dbraw/zinc/31/32/12/611313212.db2.gz UFYVBHXCKLVCBK-ZIAGYGMSSA-N 1 1 332.448 0.869 20 10 ECCDMO C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970953109 734118051 /nfs/dbraw/zinc/11/80/51/734118051.db2.gz CFCZRRQGPKAOSD-ZJUUUORDSA-N 1 1 346.391 0.773 20 10 ECCDMO C[NH+]1CCN(c2ncc(NCCc3cc(O)c(O)cc3O)cn2)CC1 ZINC001168005805 745591462 /nfs/dbraw/zinc/59/14/62/745591462.db2.gz NXOVUQXJYPUBQA-UHFFFAOYSA-N 1 1 345.403 1.000 20 10 ECCDMO C[N@@H+](CC(N)=O)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000985816299 749160436 /nfs/dbraw/zinc/16/04/36/749160436.db2.gz WGDYGKOGTOCHON-UHFFFAOYSA-N 1 1 346.391 0.871 20 10 ECCDMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015103430 763886881 /nfs/dbraw/zinc/88/68/81/763886881.db2.gz OLCPSEMIXFNXHV-NEPJUHHUSA-N 1 1 336.392 0.167 20 10 ECCDMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015103430 763886891 /nfs/dbraw/zinc/88/68/91/763886891.db2.gz OLCPSEMIXFNXHV-NEPJUHHUSA-N 1 1 336.392 0.167 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)ncn1 ZINC001089817847 767293487 /nfs/dbraw/zinc/29/34/87/767293487.db2.gz WNDFHMDDTVMNBT-MRXNPFEDSA-N 1 1 345.447 0.758 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)ncn1 ZINC001089817847 767293489 /nfs/dbraw/zinc/29/34/89/767293489.db2.gz WNDFHMDDTVMNBT-MRXNPFEDSA-N 1 1 345.447 0.758 20 10 ECCDMO C[N@@H+]1CCO[C@H](C(=O)NCCC2=CCN(c3cnc(F)cn3)CC2)C1 ZINC001089823218 767339924 /nfs/dbraw/zinc/33/99/24/767339924.db2.gz ANDAQXVFRHBOJI-AWEZNQCLSA-N 1 1 349.410 0.589 20 10 ECCDMO C[N@H+]1CCO[C@H](C(=O)NCCC2=CCN(c3cnc(F)cn3)CC2)C1 ZINC001089823218 767339929 /nfs/dbraw/zinc/33/99/29/767339929.db2.gz ANDAQXVFRHBOJI-AWEZNQCLSA-N 1 1 349.410 0.589 20 10 ECCDMO COc1ccc(N2CCC[N@@H+](C[C@H](O)CN3CCOCC3)CC2)cc1 ZINC000076548154 436211634 /nfs/dbraw/zinc/21/16/34/436211634.db2.gz ZMJIBABLMSHQCJ-SFHVURJKSA-N 1 1 349.475 0.900 20 10 ECCDMO COc1cc(N2CC[NH+](CCOCCO)CC2)cc(OC)c1OC ZINC000273595128 436768937 /nfs/dbraw/zinc/76/89/37/436768937.db2.gz KCVSBXBEDVWWMR-UHFFFAOYSA-N 1 1 340.420 0.843 20 10 ECCDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000274547946 436843517 /nfs/dbraw/zinc/84/35/17/436843517.db2.gz GWRBFWCYAXIGDP-UHFFFAOYSA-N 1 1 341.433 0.930 20 10 ECCDMO CNC(=O)CC[N@@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000170792264 436955149 /nfs/dbraw/zinc/95/51/49/436955149.db2.gz XAXGJGGOJLBPCR-UHFFFAOYSA-N 1 1 348.447 0.412 20 10 ECCDMO C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000175003612 437093196 /nfs/dbraw/zinc/09/31/96/437093196.db2.gz OPMQJNBNJSKDPP-SFHVURJKSA-N 1 1 347.459 0.842 20 10 ECCDMO C[N@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000175003612 437093200 /nfs/dbraw/zinc/09/32/00/437093200.db2.gz OPMQJNBNJSKDPP-SFHVURJKSA-N 1 1 347.459 0.842 20 10 ECCDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000266947787 437268766 /nfs/dbraw/zinc/26/87/66/437268766.db2.gz SGSLGGCAYAQBBV-LLVKDONJSA-N 1 1 341.433 0.835 20 10 ECCDMO CCN1CCN(c2ccc(CNC(=O)[C@H](C[NH3+])OC)cc2F)CC1 ZINC000290250146 437474021 /nfs/dbraw/zinc/47/40/21/437474021.db2.gz WHYGBDPWKBPSPY-INIZCTEOSA-N 1 1 338.427 0.558 20 10 ECCDMO O=C(CC[NH+]1CCOCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000750866413 579359982 /nfs/dbraw/zinc/35/99/82/579359982.db2.gz DTLAOYYZELDILW-UHFFFAOYSA-N 1 1 333.432 0.862 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@@]2(CO)CCOC2)cc1 ZINC000782175138 578721277 /nfs/dbraw/zinc/72/12/77/578721277.db2.gz DBFWSFJACHOZJU-GOSISDBHSA-N 1 1 335.448 0.794 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@@]2(CO)CCOC2)cc1 ZINC000782175138 578721278 /nfs/dbraw/zinc/72/12/78/578721278.db2.gz DBFWSFJACHOZJU-GOSISDBHSA-N 1 1 335.448 0.794 20 10 ECCDMO O=C(CN1C(=O)CCC1=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000770508708 579169104 /nfs/dbraw/zinc/16/91/04/579169104.db2.gz FQBMDJJBZUZIDF-UHFFFAOYSA-N 1 1 331.372 0.185 20 10 ECCDMO C[N@H+]1CC[C@](O)(CNC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000763092893 579555316 /nfs/dbraw/zinc/55/53/16/579555316.db2.gz YDHRHGPIBXQIDR-SFHVURJKSA-N 1 1 330.432 0.929 20 10 ECCDMO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)c1ccco1 ZINC000842024011 589008823 /nfs/dbraw/zinc/00/88/23/589008823.db2.gz LBIDQJPIBKBFFW-HNNXBMFYSA-N 1 1 344.415 0.940 20 10 ECCDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842194060 589019618 /nfs/dbraw/zinc/01/96/18/589019618.db2.gz QBTKZOOTRDFCDL-MRXNPFEDSA-N 1 1 332.448 0.918 20 10 ECCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842194059 589019725 /nfs/dbraw/zinc/01/97/25/589019725.db2.gz QBTKZOOTRDFCDL-INIZCTEOSA-N 1 1 332.448 0.918 20 10 ECCDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842238469 589023894 /nfs/dbraw/zinc/02/38/94/589023894.db2.gz QUCZMHQYBNLERE-RDJZCZTQSA-N 1 1 344.459 0.870 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000891998293 586213570 /nfs/dbraw/zinc/21/35/70/586213570.db2.gz BFLZZXYRACWICH-INIZCTEOSA-N 1 1 331.464 0.990 20 10 ECCDMO COc1ccc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c1OC ZINC000897616222 586351810 /nfs/dbraw/zinc/35/18/10/586351810.db2.gz KVZBUXMELCSBQG-TXEJJXNPSA-N 1 1 327.402 0.886 20 10 ECCDMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000897791346 586370874 /nfs/dbraw/zinc/37/08/74/586370874.db2.gz KCSNKPRHUDJJGB-MRXNPFEDSA-N 1 1 332.448 0.888 20 10 ECCDMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000897791346 586370877 /nfs/dbraw/zinc/37/08/77/586370877.db2.gz KCSNKPRHUDJJGB-MRXNPFEDSA-N 1 1 332.448 0.888 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000803664947 587065392 /nfs/dbraw/zinc/06/53/92/587065392.db2.gz UGWLBUJNNKNQEE-CYBMUJFWSA-N 1 1 336.411 0.718 20 10 ECCDMO CN1CCN(C[C@@H](O)C[NH2+]CCCSc2nccs2)CC1 ZINC000819063434 587466406 /nfs/dbraw/zinc/46/64/06/587466406.db2.gz MXCTWGMGMUNTCL-ZDUSSCGKSA-N 1 1 330.523 0.823 20 10 ECCDMO COc1c(O)c(CN2CC[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000825338385 587933563 /nfs/dbraw/zinc/93/35/63/587933563.db2.gz PSHHQRZDWCFSAW-NSHDSACASA-N 1 1 325.365 0.807 20 10 ECCDMO CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000826706074 588079615 /nfs/dbraw/zinc/07/96/15/588079615.db2.gz FTGZPAFWIHZAGZ-INIZCTEOSA-N 1 1 332.448 0.921 20 10 ECCDMO COC(=O)CNC(=O)[C@H](C)[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400929 589110432 /nfs/dbraw/zinc/11/04/32/589110432.db2.gz IDWPLPZXDUREKD-ZDUSSCGKSA-N 1 1 337.420 0.741 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]CCCN3CCNC(=O)C3)cc2)CC1 ZINC000848557861 589300524 /nfs/dbraw/zinc/30/05/24/589300524.db2.gz MDQMCLVTSAUUSV-UHFFFAOYSA-N 1 1 345.491 0.350 20 10 ECCDMO COc1c(O)c(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000862512028 589942372 /nfs/dbraw/zinc/94/23/72/589942372.db2.gz HHKCEEIEKIBDNT-PSASIEDQSA-N 1 1 330.362 0.974 20 10 ECCDMO CN(C)c1ccc(CNC(=O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1 ZINC000880071693 590366039 /nfs/dbraw/zinc/36/60/39/590366039.db2.gz HHYJDCVHVUJEBO-ZWKOTPCHSA-N 1 1 346.475 0.510 20 10 ECCDMO COc1cc(N2CC[NH+](CCn3cnnn3)CC2)cc(OC)c1OC ZINC000878430433 590520602 /nfs/dbraw/zinc/52/06/02/590520602.db2.gz GSQXBBJAUYMDRK-UHFFFAOYSA-N 1 1 348.407 0.521 20 10 ECCDMO CO[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@](C)(CO)C1 ZINC000879259928 590574683 /nfs/dbraw/zinc/57/46/83/590574683.db2.gz RCQWAEYIZWQYKC-FUHWJXTLSA-N 1 1 335.448 0.841 20 10 ECCDMO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1CCO ZINC000187671258 609781004 /nfs/dbraw/zinc/78/10/04/609781004.db2.gz PZWQNTKRVJEUFI-MRXNPFEDSA-N 1 1 348.491 0.709 20 10 ECCDMO C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1CCO ZINC000187671258 609781005 /nfs/dbraw/zinc/78/10/05/609781005.db2.gz PZWQNTKRVJEUFI-MRXNPFEDSA-N 1 1 348.491 0.709 20 10 ECCDMO CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918829664 610019759 /nfs/dbraw/zinc/01/97/59/610019759.db2.gz DWNYJPAJTHECTH-PKOBYXMFSA-N 1 1 346.475 0.510 20 10 ECCDMO Cc1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c(C)n1-c1ccccn1 ZINC000913190999 610050401 /nfs/dbraw/zinc/05/04/01/610050401.db2.gz HXGFTVLDDZRDDE-GOSISDBHSA-N 1 1 344.415 0.570 20 10 ECCDMO CC[N@@H+](CCO)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000123077448 741475743 /nfs/dbraw/zinc/47/57/43/741475743.db2.gz ZGMGQRJNDZMGBH-UHFFFAOYSA-N 1 1 339.411 0.593 20 10 ECCDMO COc1cc(C(=O)NC2CC[NH+]([C@H](C)C(N)=O)CC2)cc(OC)n1 ZINC001003244775 748338031 /nfs/dbraw/zinc/33/80/31/748338031.db2.gz HCWYLBWJXPINFA-SNVBAGLBSA-N 1 1 336.392 0.167 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]C[C@H]2CN(C(C)=O)CCO2)cc1 ZINC001051384427 761964288 /nfs/dbraw/zinc/96/42/88/761964288.db2.gz SDPDZEMVAXNBOT-HNNXBMFYSA-N 1 1 346.391 0.008 20 10 ECCDMO CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016366611 766191095 /nfs/dbraw/zinc/19/10/95/766191095.db2.gz DUGNSKFZXKEBIZ-CHWSQXEVSA-N 1 1 346.391 0.917 20 10 ECCDMO CC[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016366611 766191101 /nfs/dbraw/zinc/19/11/01/766191101.db2.gz DUGNSKFZXKEBIZ-CHWSQXEVSA-N 1 1 346.391 0.917 20 10 ECCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092067920 436467213 /nfs/dbraw/zinc/46/72/13/436467213.db2.gz GIKPBUWWVVQTFW-MRXNPFEDSA-N 1 1 339.461 0.647 20 10 ECCDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000271245638 436679013 /nfs/dbraw/zinc/67/90/13/436679013.db2.gz GDULZOXPKJAJTI-LBPRGKRZSA-N 1 1 344.433 0.923 20 10 ECCDMO Cn1cc(/C=C\C(=O)N2CC[NH2+]Cc3ccccc32)c(=O)n(C)c1=O ZINC000493866857 302904104 /nfs/dbraw/zinc/90/41/04/302904104.db2.gz CWFPVMLASZQIPM-FPLPWBNLSA-N 1 1 340.383 0.234 20 10 ECCDMO COc1c(O)c(C[NH2+]CCC(=O)N2CCOCC2)ccc1[N+](=O)[O-] ZINC000278831379 437348718 /nfs/dbraw/zinc/34/87/18/437348718.db2.gz IRPDANUSBZWFPX-UHFFFAOYSA-N 1 1 339.348 0.648 20 10 ECCDMO CCCOc1ccc(C[N@H+]2CCCN(S(N)(=O)=O)CC2)c(O)c1 ZINC000371420672 437931813 /nfs/dbraw/zinc/93/18/13/437931813.db2.gz CFRYYAVZSPFPQN-UHFFFAOYSA-N 1 1 343.449 0.892 20 10 ECCDMO CCC[N@H+](CC(N)=O)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000795508816 578611994 /nfs/dbraw/zinc/61/19/94/578611994.db2.gz UBWCOPOTLQAQQM-UHFFFAOYSA-N 1 1 335.364 0.309 20 10 ECCDMO CCC[N@@H+](CC(N)=O)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000795508816 578611995 /nfs/dbraw/zinc/61/19/95/578611995.db2.gz UBWCOPOTLQAQQM-UHFFFAOYSA-N 1 1 335.364 0.309 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](O)[C@@H](C)C3)CC2)cc1 ZINC000768772606 579131231 /nfs/dbraw/zinc/13/12/31/579131231.db2.gz ZZRYAEPKEHKXGB-YOEHRIQHSA-N 1 1 333.432 0.656 20 10 ECCDMO CC[C@H](CO)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000779752009 579320165 /nfs/dbraw/zinc/32/01/65/579320165.db2.gz JXLIMZRHMJDFCO-OAHLLOKOSA-N 1 1 335.448 0.952 20 10 ECCDMO C[C@@H](O)C[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000761892637 579532998 /nfs/dbraw/zinc/53/29/98/579532998.db2.gz WWGXUNSEFHVYBI-SNVBAGLBSA-N 1 1 336.348 0.429 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)NC[C@H](C)[NH3+])CC2)cc1 ZINC000841665878 588997057 /nfs/dbraw/zinc/99/70/57/588997057.db2.gz RRFBGLMIFMFFRH-HNNXBMFYSA-N 1 1 349.479 0.854 20 10 ECCDMO CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)C[C@@H](O)CN2C)[NH+](C)C)cc1 ZINC000891245382 586089003 /nfs/dbraw/zinc/08/90/03/586089003.db2.gz DAUSSNKOHPWSSA-ZIFCJYIRSA-N 1 1 348.491 0.927 20 10 ECCDMO C[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)S(C)(=O)=O ZINC000891256263 586157075 /nfs/dbraw/zinc/15/70/75/586157075.db2.gz WPBLPFIBYZSEIE-WFASDCNBSA-N 1 1 341.477 0.905 20 10 ECCDMO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843122764 589051939 /nfs/dbraw/zinc/05/19/39/589051939.db2.gz DUYFYQFEIRTEGY-SFHVURJKSA-N 1 1 346.475 0.775 20 10 ECCDMO OCCN1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc2c(cc1O)OC[C@H]2O ZINC000902641911 586749612 /nfs/dbraw/zinc/74/96/12/586749612.db2.gz CFPOQMKOQFMVQG-HLLBOEOZSA-N 1 1 334.416 0.849 20 10 ECCDMO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cc2c(cc1O)OC[C@H]2O ZINC000902641911 586749613 /nfs/dbraw/zinc/74/96/13/586749613.db2.gz CFPOQMKOQFMVQG-HLLBOEOZSA-N 1 1 334.416 0.849 20 10 ECCDMO OCC[N@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cc2c(cc1O)OC[C@H]2O ZINC000902641911 586749615 /nfs/dbraw/zinc/74/96/15/586749615.db2.gz CFPOQMKOQFMVQG-HLLBOEOZSA-N 1 1 334.416 0.849 20 10 ECCDMO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000819695995 587485838 /nfs/dbraw/zinc/48/58/38/587485838.db2.gz HHRHQTCUUCDCAU-OAHLLOKOSA-N 1 1 336.388 0.615 20 10 ECCDMO CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000819695995 587485839 /nfs/dbraw/zinc/48/58/39/587485839.db2.gz HHRHQTCUUCDCAU-OAHLLOKOSA-N 1 1 336.388 0.615 20 10 ECCDMO C[N@H+](CCC(=O)N1CCNCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000844221089 589103750 /nfs/dbraw/zinc/10/37/50/589103750.db2.gz UEEHBKGSZJASPY-UHFFFAOYSA-N 1 1 346.475 0.777 20 10 ECCDMO C[N@@H+](CCC(=O)N1CCNCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000844221089 589103752 /nfs/dbraw/zinc/10/37/52/589103752.db2.gz UEEHBKGSZJASPY-UHFFFAOYSA-N 1 1 346.475 0.777 20 10 ECCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000846185752 589190593 /nfs/dbraw/zinc/19/05/93/589190593.db2.gz DDBLUAWOJOAOQZ-JQWIXIFHSA-N 1 1 342.417 0.863 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1[C@H](C)O)cc2=O ZINC000852559550 589501266 /nfs/dbraw/zinc/50/12/66/589501266.db2.gz JPBJINJQPXCWPG-GXFFZTMASA-N 1 1 334.376 0.957 20 10 ECCDMO Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)c(O)c1 ZINC000876614567 590391492 /nfs/dbraw/zinc/39/14/92/590391492.db2.gz PKNHGTRTZFXWBB-UHFFFAOYSA-N 1 1 331.416 0.967 20 10 ECCDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000882484346 590553717 /nfs/dbraw/zinc/55/37/17/590553717.db2.gz AWOYIXHILOMMRN-LLVKDONJSA-N 1 1 327.406 0.588 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1 ZINC000878982551 590555484 /nfs/dbraw/zinc/55/54/84/590555484.db2.gz AUTSUPYTRQGHOE-WMZOPIPTSA-N 1 1 335.448 0.529 20 10 ECCDMO CO[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@](C)(CO)C1 ZINC000879259930 590574285 /nfs/dbraw/zinc/57/42/85/590574285.db2.gz RCQWAEYIZWQYKC-WMZOPIPTSA-N 1 1 335.448 0.841 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)C2(O)CCOCC2)cc1 ZINC000930851803 611474813 /nfs/dbraw/zinc/47/48/13/611474813.db2.gz AIZHKACXIFKAFE-QGZVFWFLSA-N 1 1 338.448 0.966 20 10 ECCDMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000930865898 611476800 /nfs/dbraw/zinc/47/68/00/611476800.db2.gz GXMTVXIRJQWPSV-YOEHRIQHSA-N 1 1 346.475 0.929 20 10 ECCDMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000930865898 611476802 /nfs/dbraw/zinc/47/68/02/611476802.db2.gz GXMTVXIRJQWPSV-YOEHRIQHSA-N 1 1 346.475 0.929 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)CN2CC[N@H+](C)[C@@H](CO)C2)cc1 ZINC000931409077 611539292 /nfs/dbraw/zinc/53/92/92/611539292.db2.gz IZLRJDZYEMXSMO-QGZVFWFLSA-N 1 1 334.464 0.319 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)CN2CC[N@@H+](C)[C@@H](CO)C2)cc1 ZINC000931409077 611539295 /nfs/dbraw/zinc/53/92/95/611539295.db2.gz IZLRJDZYEMXSMO-QGZVFWFLSA-N 1 1 334.464 0.319 20 10 ECCDMO COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3CC[N@@H+]3C)C2)cc1 ZINC000931887321 611582746 /nfs/dbraw/zinc/58/27/46/611582746.db2.gz UFBUWGQYFQQJEC-UKRRQHHQSA-N 1 1 346.431 0.210 20 10 ECCDMO COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3CC[N@H+]3C)C2)cc1 ZINC000931887321 611582747 /nfs/dbraw/zinc/58/27/47/611582747.db2.gz UFBUWGQYFQQJEC-UKRRQHHQSA-N 1 1 346.431 0.210 20 10 ECCDMO C[C@@H]1[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@H+]1C ZINC000928442821 611688221 /nfs/dbraw/zinc/68/82/21/611688221.db2.gz RBBXTTHILQPQQQ-BXKDBHETSA-N 1 1 327.406 0.586 20 10 ECCDMO C[NH2+][C@@H]1CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000923277049 611223546 /nfs/dbraw/zinc/22/35/46/611223546.db2.gz BFMPUYMJMIHUDV-SJLPKXTDSA-N 1 1 348.491 0.472 20 10 ECCDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001047644819 759394018 /nfs/dbraw/zinc/39/40/18/759394018.db2.gz RTMSTCCOBQVPMB-KBPBESRZSA-N 1 1 349.391 0.349 20 10 ECCDMO C[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862576 763263915 /nfs/dbraw/zinc/26/39/15/763263915.db2.gz MFOPZVYFABSJJR-QLJPJBMISA-N 1 1 346.391 0.917 20 10 ECCDMO C[C@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862576 763263923 /nfs/dbraw/zinc/26/39/23/763263923.db2.gz MFOPZVYFABSJJR-QLJPJBMISA-N 1 1 346.391 0.917 20 10 ECCDMO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnon3)C2)cc(OC)n1 ZINC001020352283 772482797 /nfs/dbraw/zinc/48/27/97/772482797.db2.gz HCJAGKMHSFWNJY-XYPYZODXSA-N 1 1 333.348 0.532 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H]([C@@H](C)O)C1)cc2=O ZINC000272608384 436720398 /nfs/dbraw/zinc/72/03/98/436720398.db2.gz RXRNMMTZSRHXLT-MNOVXSKESA-N 1 1 334.376 0.814 20 10 ECCDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000299484432 437081461 /nfs/dbraw/zinc/08/14/61/437081461.db2.gz ZRNVLDBTTMGMBW-JKSUJKDBSA-N 1 1 348.491 0.756 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H]3CCOC3)CC2)cc1 ZINC000752155145 579381496 /nfs/dbraw/zinc/38/14/96/579381496.db2.gz VEMVUDBNQGOURI-HNNXBMFYSA-N 1 1 348.447 0.905 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)CC1(O)CCC1)cc2=O ZINC000759876471 579499802 /nfs/dbraw/zinc/49/98/02/579499802.db2.gz LKMVNKKVIIKDPT-UHFFFAOYSA-N 1 1 334.376 0.958 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]3C[N@@H+](C)C[C@H]31)cc2=O ZINC000794929962 578601790 /nfs/dbraw/zinc/60/17/90/578601790.db2.gz PPWJLHMTAWKZNJ-SMDDNHRTSA-N 1 1 345.403 0.748 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@]2(CO)CCOC2)cc1 ZINC000782175139 578721238 /nfs/dbraw/zinc/72/12/38/578721238.db2.gz DBFWSFJACHOZJU-SFHVURJKSA-N 1 1 335.448 0.794 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@]2(CO)CCOC2)cc1 ZINC000782175139 578721239 /nfs/dbraw/zinc/72/12/39/578721239.db2.gz DBFWSFJACHOZJU-SFHVURJKSA-N 1 1 335.448 0.794 20 10 ECCDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768444426 579125620 /nfs/dbraw/zinc/12/56/20/579125620.db2.gz BFESQXARZRMTPJ-BXUZGUMPSA-N 1 1 342.417 0.332 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000779217887 579314335 /nfs/dbraw/zinc/31/43/35/579314335.db2.gz JJRCOJJWKVGBTM-MSOLQXFVSA-N 1 1 349.475 0.635 20 10 ECCDMO C[C@H](C(=O)NC1CC1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000836428439 588930946 /nfs/dbraw/zinc/93/09/46/588930946.db2.gz LHJFGXLBBBPDEZ-GFCCVEGCSA-N 1 1 347.415 0.906 20 10 ECCDMO CCN1CCN(c2ccc(CNC(=O)NCC3C[NH2+]C3)cc2F)CC1 ZINC000841793975 589001350 /nfs/dbraw/zinc/00/13/50/589001350.db2.gz WSDBSDXBGYQJDB-UHFFFAOYSA-N 1 1 349.454 0.986 20 10 ECCDMO Nc1ccc(CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000841955498 589006830 /nfs/dbraw/zinc/00/68/30/589006830.db2.gz FEONMCHCBVYSIW-MRXNPFEDSA-N 1 1 345.447 0.417 20 10 ECCDMO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C[N@H+]1CCO ZINC000842163517 589015954 /nfs/dbraw/zinc/01/59/54/589015954.db2.gz PDIYWBWYNFNZGI-CVEARBPZSA-N 1 1 348.491 0.756 20 10 ECCDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842167736 589016619 /nfs/dbraw/zinc/01/66/19/589016619.db2.gz ULGWCLYLYKMIOE-BLLLJJGKSA-N 1 1 330.432 0.526 20 10 ECCDMO [NH3+]CC(F)(F)CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842214414 589021778 /nfs/dbraw/zinc/02/17/78/589021778.db2.gz RGZRBWYITXHQKE-UHFFFAOYSA-N 1 1 340.374 0.613 20 10 ECCDMO NC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C(N)=O ZINC000895315058 586175216 /nfs/dbraw/zinc/17/52/16/586175216.db2.gz WTBGKDPNPPSJSK-IYBDPMFKSA-N 1 1 330.432 0.696 20 10 ECCDMO COc1cc(C)cc(C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)c1O ZINC000895402056 586180941 /nfs/dbraw/zinc/18/09/41/586180941.db2.gz IUGGJRZZVLITDX-UHFFFAOYSA-N 1 1 349.431 0.880 20 10 ECCDMO COc1ccc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c(O)c1OC ZINC000892096504 586221227 /nfs/dbraw/zinc/22/12/27/586221227.db2.gz UKRBGESRHNJYEM-CQSZACIVSA-N 1 1 340.420 0.534 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@H](O)[C@H]3C)CC2)cc1 ZINC000832220598 588475453 /nfs/dbraw/zinc/47/54/53/588475453.db2.gz YZSGBYULOPSUHH-HHXXYDBFSA-N 1 1 349.475 0.633 20 10 ECCDMO COc1ccc(N(C)CC[N@H+](C)CCS(=O)(=O)N(C)C)cc1 ZINC000844400752 589110352 /nfs/dbraw/zinc/11/03/52/589110352.db2.gz DTVBHWOFORCMHU-UHFFFAOYSA-N 1 1 329.466 0.955 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)CCS(=O)(=O)N(C)C)cc1 ZINC000844400752 589110353 /nfs/dbraw/zinc/11/03/53/589110353.db2.gz DTVBHWOFORCMHU-UHFFFAOYSA-N 1 1 329.466 0.955 20 10 ECCDMO Cn1ccnc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850356518 589364910 /nfs/dbraw/zinc/36/49/10/589364910.db2.gz SRGICLGOMPIZBZ-UHFFFAOYSA-N 1 1 334.445 0.945 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)CN2CC[N@H+](C)C[C@@H]2CO)cc1 ZINC000879003604 590558195 /nfs/dbraw/zinc/55/81/95/590558195.db2.gz NHPYASFZARDJPK-QGZVFWFLSA-N 1 1 334.464 0.319 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)CN2CC[N@@H+](C)C[C@@H]2CO)cc1 ZINC000879003604 590558197 /nfs/dbraw/zinc/55/81/97/590558197.db2.gz NHPYASFZARDJPK-QGZVFWFLSA-N 1 1 334.464 0.319 20 10 ECCDMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000930196943 611399237 /nfs/dbraw/zinc/39/92/37/611399237.db2.gz BVYKHVRGCLQZDS-JTQLQIEISA-N 1 1 328.463 0.562 20 10 ECCDMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000930196943 611399239 /nfs/dbraw/zinc/39/92/39/611399239.db2.gz BVYKHVRGCLQZDS-JTQLQIEISA-N 1 1 328.463 0.562 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)C2)cc1 ZINC000912291713 609944013 /nfs/dbraw/zinc/94/40/13/609944013.db2.gz BJHBNHFYAOJOQG-JOQOYGCGSA-N 1 1 333.432 0.845 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000923411265 611240250 /nfs/dbraw/zinc/24/02/50/611240250.db2.gz BMNXISMOEAULMQ-RYRKJORJSA-N 1 1 348.491 0.600 20 10 ECCDMO C[C@@H](C(N)=O)[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980511068 749659601 /nfs/dbraw/zinc/65/96/01/749659601.db2.gz NQXMZKXARXAMBI-GWCFXTLKSA-N 1 1 346.391 0.869 20 10 ECCDMO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnon3)C2)cc(OC)n1 ZINC001022367617 758632928 /nfs/dbraw/zinc/63/29/28/758632928.db2.gz HCJAGKMHSFWNJY-PHIMTYICSA-N 1 1 333.348 0.532 20 10 ECCDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272677294 254536270 /nfs/dbraw/zinc/53/62/70/254536270.db2.gz RJLIULFWOZEYDQ-GQCTYLIASA-N 1 1 347.415 0.734 20 10 ECCDMO CCN(CC)c1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000091866946 436463197 /nfs/dbraw/zinc/46/31/97/436463197.db2.gz IHWALNYFXICBDY-INIZCTEOSA-N 1 1 330.432 0.675 20 10 ECCDMO CCN(CC)c1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000091866946 436463200 /nfs/dbraw/zinc/46/32/00/436463200.db2.gz IHWALNYFXICBDY-INIZCTEOSA-N 1 1 330.432 0.675 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)cc1OC ZINC000271105327 436677330 /nfs/dbraw/zinc/67/73/30/436677330.db2.gz RIQYNHIONHPJPP-NSHDSACASA-N 1 1 330.406 0.533 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC000274076205 436796532 /nfs/dbraw/zinc/79/65/32/436796532.db2.gz QGKRWFHOFJKIGP-QGZVFWFLSA-N 1 1 345.447 0.768 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)CCCC(N)=O)CC2)cc1 ZINC000278522225 437320096 /nfs/dbraw/zinc/32/00/96/437320096.db2.gz YJLLNBGACNOAJK-UHFFFAOYSA-N 1 1 348.447 0.589 20 10 ECCDMO CCS(=O)(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278868502 437352957 /nfs/dbraw/zinc/35/29/57/437352957.db2.gz MSDIBHDRBZNMJP-UHFFFAOYSA-N 1 1 347.393 0.728 20 10 ECCDMO COc1c([O-])c(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366554462 438091575 /nfs/dbraw/zinc/09/15/75/438091575.db2.gz LPPAXHVSCBLOLA-ZJUUUORDSA-N 1 1 335.316 0.404 20 10 ECCDMO COc1c(O)c(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366554462 438091577 /nfs/dbraw/zinc/09/15/77/438091577.db2.gz LPPAXHVSCBLOLA-ZJUUUORDSA-N 1 1 335.316 0.404 20 10 ECCDMO COc1c(O)c(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366554462 438091581 /nfs/dbraw/zinc/09/15/81/438091581.db2.gz LPPAXHVSCBLOLA-ZJUUUORDSA-N 1 1 335.316 0.404 20 10 ECCDMO O=C1COc2cc([N+](=O)[O-])c(N3CC[NH+]([C@H]4CCOC4)CC3)cc2N1 ZINC000366780741 438125947 /nfs/dbraw/zinc/12/59/47/438125947.db2.gz QKJZLAGMKUMVPA-NSHDSACASA-N 1 1 348.359 0.837 20 10 ECCDMO Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(O)c1O ZINC000368436805 438330015 /nfs/dbraw/zinc/33/00/15/438330015.db2.gz ZPIXVKLTDJKKFR-AWEZNQCLSA-N 1 1 347.415 0.961 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@@](C)(O)C3)CC2)cc1 ZINC000754050739 579411755 /nfs/dbraw/zinc/41/17/55/579411755.db2.gz ROBQVFDFZWMCLU-IEBWSBKVSA-N 1 1 349.475 0.635 20 10 ECCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793588214 578931607 /nfs/dbraw/zinc/93/16/07/578931607.db2.gz LFFJWSAYFZIGNM-FZMZJTMJSA-N 1 1 342.417 0.284 20 10 ECCDMO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768466653 579126403 /nfs/dbraw/zinc/12/64/03/579126403.db2.gz SZMLNIFNLRCQGE-CQSZACIVSA-N 1 1 342.417 0.285 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000779217892 579314310 /nfs/dbraw/zinc/31/43/10/579314310.db2.gz JJRCOJJWKVGBTM-ROUUACIJSA-N 1 1 349.475 0.635 20 10 ECCDMO O=C([C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1)N1CCNCC1 ZINC000843047538 589047869 /nfs/dbraw/zinc/04/78/69/589047869.db2.gz VIRDCBUCWQRLAU-ZDUSSCGKSA-N 1 1 347.415 0.765 20 10 ECCDMO O=C([C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1)N1CCNCC1 ZINC000843047538 589047871 /nfs/dbraw/zinc/04/78/71/589047871.db2.gz VIRDCBUCWQRLAU-ZDUSSCGKSA-N 1 1 347.415 0.765 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)CC2)cc1 ZINC000899940089 586514182 /nfs/dbraw/zinc/51/41/82/586514182.db2.gz FYGLDWMJAGBXDP-CRAIPNDOSA-N 1 1 333.432 0.799 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]C[C@H](O)C3(O)CCOCC3)cc2)CC1 ZINC000905426776 586893333 /nfs/dbraw/zinc/89/33/33/586893333.db2.gz JZWNBOLNALBYPU-SFHVURJKSA-N 1 1 349.475 0.430 20 10 ECCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000807100337 587119047 /nfs/dbraw/zinc/11/90/47/587119047.db2.gz JJNPAXHBFVHPQS-HNNXBMFYSA-N 1 1 332.448 0.888 20 10 ECCDMO C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807290742 587124699 /nfs/dbraw/zinc/12/46/99/587124699.db2.gz NDBNHOXSOZBWSG-MRXNPFEDSA-N 1 1 342.443 0.889 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]CCCn3cc(CO)nn3)cc2)CC1 ZINC000810162656 587191095 /nfs/dbraw/zinc/19/10/95/587191095.db2.gz ORDZANASQWACDN-UHFFFAOYSA-N 1 1 344.463 0.702 20 10 ECCDMO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000830880955 588390521 /nfs/dbraw/zinc/39/05/21/588390521.db2.gz FSVCDFLXVPPIAZ-HOCLYGCPSA-N 1 1 349.431 0.225 20 10 ECCDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000830880955 588390523 /nfs/dbraw/zinc/39/05/23/588390523.db2.gz FSVCDFLXVPPIAZ-HOCLYGCPSA-N 1 1 349.431 0.225 20 10 ECCDMO CNS(=O)(=O)CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000856731496 589672147 /nfs/dbraw/zinc/67/21/47/589672147.db2.gz QGXFSLCXWMIZRZ-CQSZACIVSA-N 1 1 328.434 0.922 20 10 ECCDMO COC(=O)[C@@]1(O)CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000880560588 590403252 /nfs/dbraw/zinc/40/32/52/590403252.db2.gz ZWPQNPMUCPNHRK-GOSISDBHSA-N 1 1 349.431 0.321 20 10 ECCDMO COC(=O)[C@@]1(O)CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000880560588 590403255 /nfs/dbraw/zinc/40/32/55/590403255.db2.gz ZWPQNPMUCPNHRK-GOSISDBHSA-N 1 1 349.431 0.321 20 10 ECCDMO O=C1COC[C@@]2(C[NH2+]Cc3cc(Cl)c(F)cc3O)COCCN12 ZINC000877732446 590479919 /nfs/dbraw/zinc/47/99/19/590479919.db2.gz KIEULGLOGBZMPH-OAHLLOKOSA-N 1 1 344.770 0.902 20 10 ECCDMO CO[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@](C)(CO)C1 ZINC000879259929 590574688 /nfs/dbraw/zinc/57/46/88/590574688.db2.gz RCQWAEYIZWQYKC-SJLPKXTDSA-N 1 1 335.448 0.841 20 10 ECCDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2c(O)cccc2F)CC1 ZINC000914115733 609855063 /nfs/dbraw/zinc/85/50/63/609855063.db2.gz FTLKEHOCTQBWSH-UHFFFAOYSA-N 1 1 338.383 0.541 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3CC[NH2+]C[C@H]3C)CC2)cc1 ZINC000923279791 611224024 /nfs/dbraw/zinc/22/40/24/611224024.db2.gz DAXNQGKOBGOGHK-AEFFLSMTSA-N 1 1 348.491 0.472 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@@H]2CN(C(C)=O)C[C@@H]2C)cc1 ZINC001054304411 767911790 /nfs/dbraw/zinc/91/17/90/767911790.db2.gz ZEJBGVDZIZQSCN-XHDPSFHLSA-N 1 1 330.392 0.627 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)C[C@@H](C)OC)cc1 ZINC001124594224 763957640 /nfs/dbraw/zinc/95/76/40/763957640.db2.gz GPYBRWYEAUOPHM-GFCCVEGCSA-N 1 1 348.407 0.302 20 10 ECCDMO COc1cc(C(=O)NC2C[NH+](C[C@@H]3C[C@@]34CCOC4)C2)cc(OC)n1 ZINC001030615010 764293860 /nfs/dbraw/zinc/29/38/60/764293860.db2.gz VLWHVFOYRQKLOZ-SCLBCKFNSA-N 1 1 347.415 0.939 20 10 ECCDMO COc1cc(C(=O)NC2C[NH+](C[C@H]3C[C@@]34CCOC4)C2)cc(OC)n1 ZINC001030615008 764294189 /nfs/dbraw/zinc/29/41/89/764294189.db2.gz VLWHVFOYRQKLOZ-FZKQIMNGSA-N 1 1 347.415 0.939 20 10 ECCDMO C[N@@H+]1CCO[C@H](C(=O)NCCC2=CCN(c3cc(F)ncn3)CC2)C1 ZINC001089823785 767332920 /nfs/dbraw/zinc/33/29/20/767332920.db2.gz PQFRFIGGGXEYNM-AWEZNQCLSA-N 1 1 349.410 0.589 20 10 ECCDMO C[N@H+]1CCO[C@H](C(=O)NCCC2=CCN(c3cc(F)ncn3)CC2)C1 ZINC001089823785 767332923 /nfs/dbraw/zinc/33/29/23/767332923.db2.gz PQFRFIGGGXEYNM-AWEZNQCLSA-N 1 1 349.410 0.589 20 10 ECCDMO C[NH+]1CCN(C(=O)CCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272362175 436713334 /nfs/dbraw/zinc/71/33/34/436713334.db2.gz CDCRDZXGVIBEFJ-HWKANZROSA-N 1 1 333.388 0.391 20 10 ECCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCOCCS(C)(=O)=O)c1 ZINC000273542957 436764517 /nfs/dbraw/zinc/76/45/17/436764517.db2.gz YSYUFHKMNGEMLU-LLVKDONJSA-N 1 1 345.417 0.891 20 10 ECCDMO CCS(=O)(=O)NCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000069219761 436765240 /nfs/dbraw/zinc/76/52/40/436765240.db2.gz HYLAQWBVGOWVSU-UHFFFAOYSA-N 1 1 341.477 0.894 20 10 ECCDMO C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[N@@H+](C)C1CC1 ZINC000069533711 436779002 /nfs/dbraw/zinc/77/90/02/436779002.db2.gz IZJFYYQNBBREML-JTQLQIEISA-N 1 1 341.433 0.976 20 10 ECCDMO CNS(=O)(=O)N1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000295895404 436980060 /nfs/dbraw/zinc/98/00/60/436980060.db2.gz HZTGJHNJKFELAF-UHFFFAOYSA-N 1 1 326.466 0.643 20 10 ECCDMO CCC[N@H+](CC(=O)NC)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000265547127 437150154 /nfs/dbraw/zinc/15/01/54/437150154.db2.gz XZHALLXCSSTKPY-UHFFFAOYSA-N 1 1 349.391 0.570 20 10 ECCDMO CCC[N@@H+](CC(=O)NC)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000265547127 437150158 /nfs/dbraw/zinc/15/01/58/437150158.db2.gz XZHALLXCSSTKPY-UHFFFAOYSA-N 1 1 349.391 0.570 20 10 ECCDMO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)c1O ZINC000179765090 437274057 /nfs/dbraw/zinc/27/40/57/437274057.db2.gz XLBQPLXUXFIPSF-UHFFFAOYSA-N 1 1 331.416 0.967 20 10 ECCDMO CC[N@@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H](C)C1 ZINC000288215953 437294073 /nfs/dbraw/zinc/29/40/73/437294073.db2.gz COYKGTBYBCBCIE-NSHDSACASA-N 1 1 341.433 0.930 20 10 ECCDMO CC[N@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H](C)C1 ZINC000288215953 437294078 /nfs/dbraw/zinc/29/40/78/437294078.db2.gz COYKGTBYBCBCIE-NSHDSACASA-N 1 1 341.433 0.930 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1OC ZINC000279352677 437396672 /nfs/dbraw/zinc/39/66/72/437396672.db2.gz GHRDMRDOGMTHEN-INIZCTEOSA-N 1 1 335.360 0.583 20 10 ECCDMO CC[N@@H+]1CCO[C@H](CN2CCN(C(=O)Cc3ccc(N)cc3)CC2)C1 ZINC000370779796 437839539 /nfs/dbraw/zinc/83/95/39/437839539.db2.gz OUGUPPMTMBRHSD-SFHVURJKSA-N 1 1 346.475 0.676 20 10 ECCDMO CC[N@H+]1CCO[C@H](CN2CCN(C(=O)Cc3ccc(N)cc3)CC2)C1 ZINC000370779796 437839541 /nfs/dbraw/zinc/83/95/41/437839541.db2.gz OUGUPPMTMBRHSD-SFHVURJKSA-N 1 1 346.475 0.676 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@@H](OC)C3)CC2)cc1 ZINC000754052193 579411870 /nfs/dbraw/zinc/41/18/70/579411870.db2.gz XMXUWSMLDLIXEN-PKOBYXMFSA-N 1 1 349.475 0.899 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H]3C[N@@H+](C)C[C@@H]31)cc2=O ZINC000794929960 578601757 /nfs/dbraw/zinc/60/17/57/578601757.db2.gz PPWJLHMTAWKZNJ-FZMZJTMJSA-N 1 1 345.403 0.748 20 10 ECCDMO CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCC[N@@H+](C)C1 ZINC000769913420 579155312 /nfs/dbraw/zinc/15/53/12/579155312.db2.gz QICQDWPIIFWBHD-GFCCVEGCSA-N 1 1 341.433 0.930 20 10 ECCDMO COc1c(O)c(C[NH2+][C@@H]2CCCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000775026206 579261584 /nfs/dbraw/zinc/26/15/84/579261584.db2.gz ZLFYSOFHMGNMQR-SNVBAGLBSA-N 1 1 330.362 0.976 20 10 ECCDMO C[NH+]1CCN(c2ccc(CN3CCn4c(n[nH]c4=O)C3)cc2)CC1 ZINC000776521478 579282781 /nfs/dbraw/zinc/28/27/81/579282781.db2.gz PNOVBHNQGXWDDF-UHFFFAOYSA-N 1 1 328.420 0.751 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)N[C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000892025916 586216468 /nfs/dbraw/zinc/21/64/68/586216468.db2.gz BAASWWJDPNXTJR-QGZVFWFLSA-N 1 1 331.464 0.975 20 10 ECCDMO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3COCCN3)cc2)CC1 ZINC000892291728 586243560 /nfs/dbraw/zinc/24/35/60/586243560.db2.gz ZWNMQPKHZSEVRA-INIZCTEOSA-N 1 1 347.463 0.226 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C1(C(=O)N(C)C)CC1)cc2=O ZINC000839632023 586884654 /nfs/dbraw/zinc/88/46/54/586884654.db2.gz DXJLDSZNYCOCFY-UHFFFAOYSA-N 1 1 347.375 0.322 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H]3C[C@@]3(CO)C1)cc2=O ZINC000782633295 586935192 /nfs/dbraw/zinc/93/51/92/586935192.db2.gz NSYHITGVQKSDAP-HWPZZCPQSA-N 1 1 332.360 0.426 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H]3C[C@@]3(CO)C1)cc2=O ZINC000782633295 586935194 /nfs/dbraw/zinc/93/51/94/586935194.db2.gz NSYHITGVQKSDAP-HWPZZCPQSA-N 1 1 332.360 0.426 20 10 ECCDMO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CSC[NH2+]3)cc2)C1 ZINC000844174942 589098930 /nfs/dbraw/zinc/09/89/30/589098930.db2.gz FBHXWGNCQRRIRU-ZFWWWQNUSA-N 1 1 348.472 0.667 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)C3(C)C[NH2+]C3)CC2)cc1 ZINC000844190603 589101616 /nfs/dbraw/zinc/10/16/16/589101616.db2.gz CLCYJOJQQRUPIO-UHFFFAOYSA-N 1 1 346.475 0.933 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1[C@@H](C)O)cc2=O ZINC000852559553 589501161 /nfs/dbraw/zinc/50/11/61/589501161.db2.gz JPBJINJQPXCWPG-ZWNOBZJWSA-N 1 1 334.376 0.957 20 10 ECCDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000856073369 589653788 /nfs/dbraw/zinc/65/37/88/589653788.db2.gz OHORSKTXLGSJAL-GFCCVEGCSA-N 1 1 341.433 0.978 20 10 ECCDMO CN(C)c1cc(F)c(C[NH2+]CCNS(=O)(=O)N(C)C)cc1F ZINC000862364518 589939478 /nfs/dbraw/zinc/93/94/78/589939478.db2.gz BOFXMOIEJPANGK-UHFFFAOYSA-N 1 1 336.408 0.516 20 10 ECCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3c(O)cccc3Br)C[C@H]12 ZINC000862385071 589939640 /nfs/dbraw/zinc/93/96/40/589939640.db2.gz DFMADBRBWGXQID-OCAPTIKFSA-N 1 1 325.162 0.859 20 10 ECCDMO COC(=O)/C=C/c1ccc(N2CC[N@H+](C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000872605722 590132424 /nfs/dbraw/zinc/13/24/24/590132424.db2.gz JPMBHGRWMUFLCA-DIECRNLCSA-N 1 1 335.360 0.894 20 10 ECCDMO COC(=O)/C=C/c1ccc(N2CC[N@@H+](C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000872605722 590132425 /nfs/dbraw/zinc/13/24/25/590132425.db2.gz JPMBHGRWMUFLCA-DIECRNLCSA-N 1 1 335.360 0.894 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]C[C@]3(CO)COCCN3C)cc2)CC1 ZINC000922534069 611353728 /nfs/dbraw/zinc/35/37/28/611353728.db2.gz ULPSUIRWABKKTG-IBGZPJMESA-N 1 1 348.491 0.221 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](O)C2(O)CCOCC2)cc1 ZINC000930851802 611474500 /nfs/dbraw/zinc/47/45/00/611474500.db2.gz AIZHKACXIFKAFE-KRWDZBQOSA-N 1 1 338.448 0.966 20 10 ECCDMO CC(=O)NC1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000050991954 608732177 /nfs/dbraw/zinc/73/21/77/608732177.db2.gz DELKRXNEZSTXON-UHFFFAOYSA-N 1 1 332.448 0.969 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)[C@@H]2CC2(C)C)cc1 ZINC001125792312 738021424 /nfs/dbraw/zinc/02/14/24/738021424.db2.gz LGMMSEXWSMKRMZ-AWEZNQCLSA-N 1 1 344.419 0.923 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)cc1 ZINC000979159600 747275985 /nfs/dbraw/zinc/27/59/85/747275985.db2.gz PAGNTXURVBAKRJ-ZSOGYDGISA-N 1 1 331.376 0.749 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)ncn1 ZINC001089817846 767293423 /nfs/dbraw/zinc/29/34/23/767293423.db2.gz WNDFHMDDTVMNBT-INIZCTEOSA-N 1 1 345.447 0.758 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)ncn1 ZINC001089817846 767293424 /nfs/dbraw/zinc/29/34/24/767293424.db2.gz WNDFHMDDTVMNBT-INIZCTEOSA-N 1 1 345.447 0.758 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@H](CNC(C)=O)C2CC2)cc1 ZINC001266393037 835799167 /nfs/dbraw/zinc/79/91/67/835799167.db2.gz POMZOPVGTPOAHI-OAHLLOKOSA-N 1 1 330.392 0.675 20 10 ECCDMO COc1cc(O)c(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)cc1OC ZINC000271772687 436694698 /nfs/dbraw/zinc/69/46/98/436694698.db2.gz GMBWAHZZJPNDSV-UHFFFAOYSA-N 1 1 337.420 0.791 20 10 ECCDMO COC(=O)Cn1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000120136382 436679386 /nfs/dbraw/zinc/67/93/86/436679386.db2.gz JQGAYFDEFBQXNM-UHFFFAOYSA-N 1 1 345.403 0.578 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H]([C@@H](C)O)C1)cc2=O ZINC000272608381 436720287 /nfs/dbraw/zinc/72/02/87/436720287.db2.gz RXRNMMTZSRHXLT-GHMZBOCLSA-N 1 1 334.376 0.814 20 10 ECCDMO O=C(CN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1)NC1CC1 ZINC000264783977 437083883 /nfs/dbraw/zinc/08/38/83/437083883.db2.gz QCTQFEISENLZES-UHFFFAOYSA-N 1 1 333.388 0.517 20 10 ECCDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000278736385 437339560 /nfs/dbraw/zinc/33/95/60/437339560.db2.gz QZDMCJUOWOWAHG-TZMCWYRMSA-N 1 1 339.388 0.967 20 10 ECCDMO O=C(C[C@@H]1COCCN1)NCc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000377163973 438303964 /nfs/dbraw/zinc/30/39/64/438303964.db2.gz FALXOPPGDGMTCC-CQSZACIVSA-N 1 1 336.411 0.230 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@](C)(O)C3)CC2)cc1 ZINC000754050740 579411831 /nfs/dbraw/zinc/41/18/31/579411831.db2.gz ROBQVFDFZWMCLU-MJGOQNOKSA-N 1 1 349.475 0.635 20 10 ECCDMO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1O ZINC000756536969 579450973 /nfs/dbraw/zinc/45/09/73/579450973.db2.gz YANIYXFDEPIVMV-GFCCVEGCSA-N 1 1 345.440 0.759 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H]3C[N@@H+](C)C[C@@H]31)cc2=O ZINC000794929961 578601740 /nfs/dbraw/zinc/60/17/40/578601740.db2.gz PPWJLHMTAWKZNJ-RISCZKNCSA-N 1 1 345.403 0.748 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H](O)C[C@@H]3C)CC2)cc1 ZINC000761111766 579521969 /nfs/dbraw/zinc/52/19/69/579521969.db2.gz DCDFXKLBVNEBOR-HOCLYGCPSA-N 1 1 333.432 0.799 20 10 ECCDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000841892636 589004490 /nfs/dbraw/zinc/00/44/90/589004490.db2.gz PCGXIMICCXHKGJ-LLVKDONJSA-N 1 1 336.344 0.375 20 10 ECCDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000841892636 589004491 /nfs/dbraw/zinc/00/44/91/589004491.db2.gz PCGXIMICCXHKGJ-LLVKDONJSA-N 1 1 336.344 0.375 20 10 ECCDMO Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000842202604 589020537 /nfs/dbraw/zinc/02/05/37/589020537.db2.gz OUIHKUHGGXIXHX-MRXNPFEDSA-N 1 1 330.432 0.528 20 10 ECCDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cccc(O)c3O)CC2)CC1 ZINC000896234121 586228667 /nfs/dbraw/zinc/22/86/67/586228667.db2.gz BRDNBXSGEUKBFC-UHFFFAOYSA-N 1 1 348.403 0.223 20 10 ECCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000843435930 589066672 /nfs/dbraw/zinc/06/66/72/589066672.db2.gz ZRUCHWDAXWSMKI-NEPJUHHUSA-N 1 1 325.361 0.765 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000852497124 589498762 /nfs/dbraw/zinc/49/87/62/589498762.db2.gz UAUQIRURUFJMBV-RDJZCZTQSA-N 1 1 344.459 0.969 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c(OC)c1 ZINC000870165365 590005068 /nfs/dbraw/zinc/00/50/68/590005068.db2.gz WIKJIYSPJASBOS-KRWDZBQOSA-N 1 1 349.431 0.683 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c(OC)c1 ZINC000870165365 590005070 /nfs/dbraw/zinc/00/50/70/590005070.db2.gz WIKJIYSPJASBOS-KRWDZBQOSA-N 1 1 349.431 0.683 20 10 ECCDMO COC(=O)[C@@](C)(O)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463246 590313024 /nfs/dbraw/zinc/31/30/24/590313024.db2.gz RVNLFLOFSAYNSK-KRWDZBQOSA-N 1 1 338.404 0.750 20 10 ECCDMO C[NH+]1CCN(c2ccc(CNc3ccncc3C(N)=O)cc2)CC1 ZINC000882880137 590595181 /nfs/dbraw/zinc/59/51/81/590595181.db2.gz CYXBOHXCPHAFDN-UHFFFAOYSA-N 1 1 325.416 0.966 20 10 ECCDMO C[N@H+]1CC[C@H]2CN(C(=O)C(=O)NCCc3ccc(N)cc3)CC[C@H]21 ZINC000884693766 590898858 /nfs/dbraw/zinc/89/88/58/590898858.db2.gz NVNXWSMUMRVOBN-GOEBONIOSA-N 1 1 330.432 0.480 20 10 ECCDMO CN1CC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000924007527 611382224 /nfs/dbraw/zinc/38/22/24/611382224.db2.gz NVSKNPHFGVJMSK-KRWDZBQOSA-N 1 1 331.464 0.942 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)C2)cc1 ZINC000912291709 609944169 /nfs/dbraw/zinc/94/41/69/609944169.db2.gz BJHBNHFYAOJOQG-DHSIGJKJSA-N 1 1 333.432 0.845 20 10 ECCDMO O=C(/C=C/c1ccc(O)c(O)c1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912896847 610018126 /nfs/dbraw/zinc/01/81/26/610018126.db2.gz NPRHJGZESLLNPT-DUXPYHPUSA-N 1 1 334.372 0.676 20 10 ECCDMO O=C(/C=C/c1ccc(O)c(O)c1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912896847 610018128 /nfs/dbraw/zinc/01/81/28/610018128.db2.gz NPRHJGZESLLNPT-DUXPYHPUSA-N 1 1 334.372 0.676 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN(C)[C@@H](C)C[NH3+])CC2)cc1 ZINC000923289432 611225529 /nfs/dbraw/zinc/22/55/29/611225529.db2.gz ILYYKYMRSNXHKO-RDJZCZTQSA-N 1 1 336.480 0.457 20 10 ECCDMO C[NH2+]CCN(C)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000923361457 611234352 /nfs/dbraw/zinc/23/43/52/611234352.db2.gz JYSXMAFDWUBCSS-KRWDZBQOSA-N 1 1 336.480 0.329 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@@H]2CCCN(C(C)=O)C2)cc1 ZINC000998325870 744119152 /nfs/dbraw/zinc/11/91/52/744119152.db2.gz GFZAZWXYYMJXIU-CYBMUJFWSA-N 1 1 330.392 0.771 20 10 ECCDMO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncccn3)C2)cc(OC)n1 ZINC001022368287 758633094 /nfs/dbraw/zinc/63/30/94/758633094.db2.gz SXCZCVPJCBIPBE-BETUJISGSA-N 1 1 343.387 0.939 20 10 ECCDMO CNC(=O)NCC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089867910 764174589 /nfs/dbraw/zinc/17/45/89/764174589.db2.gz VTHQSPOVDXQPRT-UHFFFAOYSA-N 1 1 346.435 0.665 20 10 ECCDMO COc1c(O)c(C[NH2+]CCCn2cc(CO)nn2)ccc1[N+](=O)[O-] ZINC000291705729 437621345 /nfs/dbraw/zinc/62/13/45/437621345.db2.gz ZJABTCONUMQWHK-UHFFFAOYSA-N 1 1 337.336 0.573 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[NH+]3CCC(O)CC3)CC2)cc1 ZINC000023993355 436128717 /nfs/dbraw/zinc/12/87/17/436128717.db2.gz WNPKUYWKRQKXJC-UHFFFAOYSA-N 1 1 333.432 0.801 20 10 ECCDMO C[N@@H+](CCN1C(=O)CNC1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000104944802 436568428 /nfs/dbraw/zinc/56/84/28/436568428.db2.gz YNOVLQIANJFPNJ-UHFFFAOYSA-N 1 1 332.404 0.507 20 10 ECCDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000271207531 436679743 /nfs/dbraw/zinc/67/97/43/436679743.db2.gz WMEZAZLZFXJRBM-SNVBAGLBSA-N 1 1 328.390 0.621 20 10 ECCDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272490198 436717972 /nfs/dbraw/zinc/71/79/72/436717972.db2.gz RLMBROOMFQLKKQ-GQCTYLIASA-N 1 1 347.415 0.780 20 10 ECCDMO COCCNC(=O)CN1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293487364 436881643 /nfs/dbraw/zinc/88/16/43/436881643.db2.gz MUIYKQZXWKHQRE-UHFFFAOYSA-N 1 1 348.491 0.941 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CCO)C1CCC1)cc2=O ZINC000275884225 437024793 /nfs/dbraw/zinc/02/47/93/437024793.db2.gz QTWAPQMHRIWCGM-UHFFFAOYSA-N 1 1 334.376 0.958 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)[C@@H]1CCNC1=O)cc2=O ZINC000282245006 437011613 /nfs/dbraw/zinc/01/16/13/437011613.db2.gz GIOMBZRBTYACGC-GFCCVEGCSA-N 1 1 347.375 0.322 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)[C@@H]1CCNC1=O)cc2=O ZINC000282245006 437011615 /nfs/dbraw/zinc/01/16/15/437011615.db2.gz GIOMBZRBTYACGC-GFCCVEGCSA-N 1 1 347.375 0.322 20 10 ECCDMO CN(C)c1ccc(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000264582407 437048449 /nfs/dbraw/zinc/04/84/49/437048449.db2.gz JVAZTGKYEMBYGT-INIZCTEOSA-N 1 1 347.463 0.892 20 10 ECCDMO O=C1CNC(=O)N1CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264674569 437061519 /nfs/dbraw/zinc/06/15/19/437061519.db2.gz AIKKPBFVGZMJDE-CQSZACIVSA-N 1 1 333.388 0.925 20 10 ECCDMO O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000372238270 438053393 /nfs/dbraw/zinc/05/33/93/438053393.db2.gz KSQZUMGGPFTPGN-GFCCVEGCSA-N 1 1 340.401 0.777 20 10 ECCDMO COc1ccc(O)c([C@H](C)[N@@H+]2CCO[C@@H](CN(C)CC(N)=O)C2)c1 ZINC000377697272 438324200 /nfs/dbraw/zinc/32/42/00/438324200.db2.gz OELZMPAOJDVREC-JSGCOSHPSA-N 1 1 337.420 0.580 20 10 ECCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCO[C@@H](CN(C)CC(N)=O)C2)c1 ZINC000377697272 438324204 /nfs/dbraw/zinc/32/42/04/438324204.db2.gz OELZMPAOJDVREC-JSGCOSHPSA-N 1 1 337.420 0.580 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CCCO)C1CC1)cc2=O ZINC000735871888 578398410 /nfs/dbraw/zinc/39/84/10/578398410.db2.gz GGUGDZGTZMIACH-UHFFFAOYSA-N 1 1 334.376 0.958 20 10 ECCDMO Oc1cc2c(cc1C[NH+]1CCN(c3ncccn3)CC1)[C@@H](O)CO2 ZINC000768438632 579125548 /nfs/dbraw/zinc/12/55/48/579125548.db2.gz WHHSVWDIHMQJPT-HNNXBMFYSA-N 1 1 328.372 0.930 20 10 ECCDMO CCNC(=O)CN1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000768440851 579125641 /nfs/dbraw/zinc/12/56/41/579125641.db2.gz GWRZVMKFUAJSQE-UHFFFAOYSA-N 1 1 337.420 0.663 20 10 ECCDMO COc1c(O)c(C[NH2+]C[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-] ZINC000774950271 579260040 /nfs/dbraw/zinc/26/00/40/579260040.db2.gz NQPRYQOFUYLZMW-VIFPVBQESA-N 1 1 330.362 0.833 20 10 ECCDMO COCC[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000761870546 579532522 /nfs/dbraw/zinc/53/25/22/579532522.db2.gz FOUHQGQPHJTOAL-UHFFFAOYSA-N 1 1 336.348 0.694 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)Cn3cncn3)CC2)cc1 ZINC000742920374 579793159 /nfs/dbraw/zinc/79/31/59/579793159.db2.gz OLJMCONOSAEQOR-UHFFFAOYSA-N 1 1 344.419 0.225 20 10 ECCDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842167739 589016467 /nfs/dbraw/zinc/01/64/67/589016467.db2.gz ULGWCLYLYKMIOE-MLGOLLRUSA-N 1 1 330.432 0.526 20 10 ECCDMO C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccc(N(C)C)cc1 ZINC000842203762 589020824 /nfs/dbraw/zinc/02/08/24/589020824.db2.gz XKGLODFDCOCVTR-JTQLQIEISA-N 1 1 328.363 0.640 20 10 ECCDMO CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)C[C@H](O)CN2C)[NH+](C)C)cc1 ZINC000891245378 586088965 /nfs/dbraw/zinc/08/89/65/586088965.db2.gz DAUSSNKOHPWSSA-LNLFQRSKSA-N 1 1 348.491 0.927 20 10 ECCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895126039 586165333 /nfs/dbraw/zinc/16/53/33/586165333.db2.gz UPVAKIPPWAQSIJ-VXGBXAGGSA-N 1 1 325.361 0.765 20 10 ECCDMO COc1ccc(C[N@@H+](CCO)CCN2CCOCC2)c(O)c1OC ZINC000891744192 586192889 /nfs/dbraw/zinc/19/28/89/586192889.db2.gz ODGDZSMEWNWJLP-UHFFFAOYSA-N 1 1 340.420 0.536 20 10 ECCDMO COc1cc(C)cc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1O ZINC000897275575 586292349 /nfs/dbraw/zinc/29/23/49/586292349.db2.gz ORVXHBOKKRUSRA-LBPRGKRZSA-N 1 1 327.406 0.043 20 10 ECCDMO C/C=C\[C@H](O)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000900405670 586629983 /nfs/dbraw/zinc/62/99/83/586629983.db2.gz BZDPEVHBDKXZBX-LIMHQNJXSA-N 1 1 333.432 0.870 20 10 ECCDMO Nc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000843292189 589059600 /nfs/dbraw/zinc/05/96/00/589059600.db2.gz JGRBUPVEILIIQU-INIZCTEOSA-N 1 1 346.431 0.921 20 10 ECCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843433640 589066898 /nfs/dbraw/zinc/06/68/98/589066898.db2.gz BQAZSXZXTIFJDP-SJLPKXTDSA-N 1 1 347.459 0.794 20 10 ECCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843433640 589066900 /nfs/dbraw/zinc/06/69/00/589066900.db2.gz BQAZSXZXTIFJDP-SJLPKXTDSA-N 1 1 347.459 0.794 20 10 ECCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]2(CO)COCCN2C)c1 ZINC000903277526 586774226 /nfs/dbraw/zinc/77/42/26/586774226.db2.gz BCQIHZUMTHONKM-PXAZEXFGSA-N 1 1 338.404 0.523 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCNC3=O)CC2)cc1 ZINC000824285661 587865438 /nfs/dbraw/zinc/86/54/38/587865438.db2.gz SEFUVJARCOEWLM-INIZCTEOSA-N 1 1 346.431 0.070 20 10 ECCDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cccc(Br)c3O)C[C@H]12 ZINC000824893440 587901447 /nfs/dbraw/zinc/90/14/47/587901447.db2.gz SATZCBJMDJLREY-DTORHVGOSA-N 1 1 325.162 0.859 20 10 ECCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cccc(Br)c3O)C[C@H]12 ZINC000824893440 587901448 /nfs/dbraw/zinc/90/14/48/587901448.db2.gz SATZCBJMDJLREY-DTORHVGOSA-N 1 1 325.162 0.859 20 10 ECCDMO CN(C)c1ccc(CNC(=O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000844225809 589104112 /nfs/dbraw/zinc/10/41/12/589104112.db2.gz VNPVSWRABYHDIJ-GOSISDBHSA-N 1 1 345.491 0.348 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](N3CCOC3=O)C2)cc1 ZINC000852435196 589495913 /nfs/dbraw/zinc/49/59/13/589495913.db2.gz JSLXVEPPGPXELQ-INIZCTEOSA-N 1 1 346.431 0.895 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](N3CCOC3=O)C2)cc1 ZINC000852435196 589495914 /nfs/dbraw/zinc/49/59/14/589495914.db2.gz JSLXVEPPGPXELQ-INIZCTEOSA-N 1 1 346.431 0.895 20 10 ECCDMO COC(=O)CNC(=O)C[NH2+]Cc1cccc(Br)c1O ZINC000877706969 590478568 /nfs/dbraw/zinc/47/85/68/590478568.db2.gz WDDXCXXCPUTCTR-UHFFFAOYSA-N 1 1 331.166 0.534 20 10 ECCDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCc3ccc(N)cc3)CC[C@H]21 ZINC000884693765 590899079 /nfs/dbraw/zinc/89/90/79/590899079.db2.gz NVNXWSMUMRVOBN-GDBMZVCRSA-N 1 1 330.432 0.480 20 10 ECCDMO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918829577 610020016 /nfs/dbraw/zinc/02/00/16/610020016.db2.gz DWNYJPAJTHECTH-HKUYNNGSSA-N 1 1 346.475 0.510 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000923290700 611225383 /nfs/dbraw/zinc/22/53/83/611225383.db2.gz NPLGXJZAPQYCMX-SJLPKXTDSA-N 1 1 348.491 0.472 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)[C@H]2CC2(C)C)cc1 ZINC001125792313 738021396 /nfs/dbraw/zinc/02/13/96/738021396.db2.gz LGMMSEXWSMKRMZ-CQSZACIVSA-N 1 1 344.419 0.923 20 10 ECCDMO COc1ccc(N2CC[NH+](CC3CN(S(C)(=O)=O)C3)CC2)cc1 ZINC000929153116 753980221 /nfs/dbraw/zinc/98/02/21/753980221.db2.gz PRKIGYGDBLZAEQ-UHFFFAOYSA-N 1 1 339.461 0.709 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2)cc1 ZINC001049242984 758418953 /nfs/dbraw/zinc/41/89/53/758418953.db2.gz DXINXQWJOANSIT-BETUJISGSA-N 1 1 331.376 0.845 20 10 ECCDMO C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000081266325 436340235 /nfs/dbraw/zinc/34/02/35/436340235.db2.gz CDQBCRONHSAJJN-INIZCTEOSA-N 1 1 337.395 0.609 20 10 ECCDMO C[N@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000081266325 436340237 /nfs/dbraw/zinc/34/02/37/436340237.db2.gz CDQBCRONHSAJJN-INIZCTEOSA-N 1 1 337.395 0.609 20 10 ECCDMO CCN(CC)c1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000091866945 436462952 /nfs/dbraw/zinc/46/29/52/436462952.db2.gz IHWALNYFXICBDY-MRXNPFEDSA-N 1 1 330.432 0.675 20 10 ECCDMO CCN(CC)c1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000091866945 436462958 /nfs/dbraw/zinc/46/29/58/436462958.db2.gz IHWALNYFXICBDY-MRXNPFEDSA-N 1 1 330.432 0.675 20 10 ECCDMO COCCNC(=O)CN1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000112119160 436632761 /nfs/dbraw/zinc/63/27/61/436632761.db2.gz RLIQPSAGNNGNFM-UHFFFAOYSA-N 1 1 334.464 0.633 20 10 ECCDMO Cc1ccc(O)c(C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000271032903 436677202 /nfs/dbraw/zinc/67/72/02/436677202.db2.gz IBBLXAYHAYJPRD-UHFFFAOYSA-N 1 1 347.415 0.204 20 10 ECCDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000271207529 436679833 /nfs/dbraw/zinc/67/98/33/436679833.db2.gz WMEZAZLZFXJRBM-JTQLQIEISA-N 1 1 328.390 0.621 20 10 ECCDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000271246685 436679917 /nfs/dbraw/zinc/67/99/17/436679917.db2.gz GOESPLAZLRHFPQ-LLVKDONJSA-N 1 1 328.390 0.635 20 10 ECCDMO C[N@@H+](CC(=O)N1CCNC1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000153188721 436750011 /nfs/dbraw/zinc/75/00/11/436750011.db2.gz KAKWACXQZFGYOB-UHFFFAOYSA-N 1 1 332.404 0.507 20 10 ECCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCN2CCN(C(C)=O)CC2)c1 ZINC000273386030 436751678 /nfs/dbraw/zinc/75/16/78/436751678.db2.gz JNXCRAPMKZIXDU-ZDUSSCGKSA-N 1 1 349.431 0.994 20 10 ECCDMO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2N1 ZINC000377225406 438306061 /nfs/dbraw/zinc/30/60/61/438306061.db2.gz QJRSXXZNRWLUOZ-IRXDYDNUSA-N 1 1 331.416 0.613 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)CC(=O)NC)cc2=O ZINC000735869561 578398483 /nfs/dbraw/zinc/39/84/83/578398483.db2.gz JQUCGQPBGQRSJX-UHFFFAOYSA-N 1 1 335.364 0.180 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)CC(=O)NC)cc2=O ZINC000735869561 578398484 /nfs/dbraw/zinc/39/84/84/578398484.db2.gz JQUCGQPBGQRSJX-UHFFFAOYSA-N 1 1 335.364 0.180 20 10 ECCDMO CCNC(=O)CC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000780914844 578702517 /nfs/dbraw/zinc/70/25/17/578702517.db2.gz MJJIRWPYLPFOMM-UHFFFAOYSA-N 1 1 348.447 0.460 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](O)[C@H](C)C1)cc2=O ZINC000778258372 579307409 /nfs/dbraw/zinc/30/74/09/579307409.db2.gz GYGWHIXOPNVEQM-MFKMUULPSA-N 1 1 334.376 0.814 20 10 ECCDMO O=C1NC(=O)N2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]12 ZINC000761214720 579524364 /nfs/dbraw/zinc/52/43/64/579524364.db2.gz DBEIKWKVQXDVKF-OAHLLOKOSA-N 1 1 330.388 0.259 20 10 ECCDMO O=C1NC(=O)N2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]12 ZINC000761214720 579524365 /nfs/dbraw/zinc/52/43/65/579524365.db2.gz DBEIKWKVQXDVKF-OAHLLOKOSA-N 1 1 330.388 0.259 20 10 ECCDMO Cn1ccnc(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c1=O ZINC000744440518 579809528 /nfs/dbraw/zinc/80/95/28/579809528.db2.gz KDFSMSXJGPPUSU-UHFFFAOYSA-N 1 1 344.371 0.537 20 10 ECCDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCc3ccc(N)cc3)CC[C@H]21 ZINC000842237660 589023967 /nfs/dbraw/zinc/02/39/67/589023967.db2.gz XJOMJTQSMQZMOF-NVXWUHKLSA-N 1 1 344.459 0.870 20 10 ECCDMO CN(C)c1ccc([C@H](CNC(=O)C2CS(=O)(=O)C2)[NH+](C)C)cc1 ZINC000891245951 586088949 /nfs/dbraw/zinc/08/89/49/586088949.db2.gz KOIXXMCFWAGKJA-HNNXBMFYSA-N 1 1 339.461 0.516 20 10 ECCDMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3=CC(=O)CS3)CC2)CC1 ZINC000896236526 586230803 /nfs/dbraw/zinc/23/08/03/586230803.db2.gz QGJBWRJMEXMKGW-UHFFFAOYSA-N 1 1 338.433 0.579 20 10 ECCDMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000897582993 586347158 /nfs/dbraw/zinc/34/71/58/586347158.db2.gz GHFKGJZQNQCIOY-MRXNPFEDSA-N 1 1 344.459 0.896 20 10 ECCDMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000897582993 586347162 /nfs/dbraw/zinc/34/71/62/586347162.db2.gz GHFKGJZQNQCIOY-MRXNPFEDSA-N 1 1 344.459 0.896 20 10 ECCDMO OCCN1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902641914 586749444 /nfs/dbraw/zinc/74/94/44/586749444.db2.gz CFPOQMKOQFMVQG-VYDXJSESSA-N 1 1 334.416 0.849 20 10 ECCDMO OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902641914 586749447 /nfs/dbraw/zinc/74/94/47/586749447.db2.gz CFPOQMKOQFMVQG-VYDXJSESSA-N 1 1 334.416 0.849 20 10 ECCDMO OCC[N@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902641914 586749450 /nfs/dbraw/zinc/74/94/50/586749450.db2.gz CFPOQMKOQFMVQG-VYDXJSESSA-N 1 1 334.416 0.849 20 10 ECCDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843435566 589066829 /nfs/dbraw/zinc/06/68/29/589066829.db2.gz VWUSSKFGDPOLDE-RDJZCZTQSA-N 1 1 334.416 0.879 20 10 ECCDMO COCCOC[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000905426116 586893829 /nfs/dbraw/zinc/89/38/29/586893829.db2.gz DGNSZKWDYBVPOF-SFHVURJKSA-N 1 1 337.464 0.552 20 10 ECCDMO CNC(=O)[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000817284542 587338218 /nfs/dbraw/zinc/33/82/18/587338218.db2.gz XCLPIGHAXKELMW-HNNXBMFYSA-N 1 1 332.448 0.779 20 10 ECCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]12 ZINC000877567546 590471587 /nfs/dbraw/zinc/47/15/87/590471587.db2.gz OFCKSWFKCLFWHY-IYBDPMFKSA-N 1 1 329.400 0.352 20 10 ECCDMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]2C1=O ZINC000877720356 590479742 /nfs/dbraw/zinc/47/97/42/590479742.db2.gz OINOPYOLJGBSCX-OKILXGFUSA-N 1 1 347.390 0.709 20 10 ECCDMO CCOc1ccc(O)c(C[NH2+]Cc2nnc3c(=O)n(C)ccn23)c1 ZINC000883333906 590613349 /nfs/dbraw/zinc/61/33/49/590613349.db2.gz GTZSBPYWBSVVAO-UHFFFAOYSA-N 1 1 329.360 0.822 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@H]([NH3+])[C@@H]3C)CC2)cc1 ZINC000923367548 611234160 /nfs/dbraw/zinc/23/41/60/611234160.db2.gz HHNCSRODBLJVBC-WDYCEAGBSA-N 1 1 348.491 0.600 20 10 ECCDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@@H]1C ZINC000842242630 611312944 /nfs/dbraw/zinc/31/29/44/611312944.db2.gz UFYVBHXCKLVCBK-UONOGXRCSA-N 1 1 332.448 0.869 20 10 ECCDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@@H]1C ZINC000842242630 611312946 /nfs/dbraw/zinc/31/29/46/611312946.db2.gz UFYVBHXCKLVCBK-UONOGXRCSA-N 1 1 332.448 0.869 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)C2=CCCC2)cc1 ZINC001125637876 736205993 /nfs/dbraw/zinc/20/59/93/736205993.db2.gz KLPJZTKVLSALLW-UHFFFAOYSA-N 1 1 342.403 0.987 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@H+](Cc3cnn(C)c3)C2)cc(OC)n1 ZINC001015101345 763880733 /nfs/dbraw/zinc/88/07/33/763880733.db2.gz FXSMLIACHRUELC-AWEZNQCLSA-N 1 1 345.403 0.837 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)cc(OC)n1 ZINC001015101345 763880743 /nfs/dbraw/zinc/88/07/43/763880743.db2.gz FXSMLIACHRUELC-AWEZNQCLSA-N 1 1 345.403 0.837 20 10 ECCDMO COc1cc(C(=O)NC2C[NH+](C[C@H]3C[C@]34CCOC4)C2)cc(OC)n1 ZINC001030615006 764293918 /nfs/dbraw/zinc/29/39/18/764293918.db2.gz VLWHVFOYRQKLOZ-ACJLOTCBSA-N 1 1 347.415 0.939 20 10 ECCDMO CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC[NH+](CC(N)=O)CC1 ZINC001045650890 775967374 /nfs/dbraw/zinc/96/73/74/775967374.db2.gz RVGSZMVBXNMMBB-UHFFFAOYSA-N 1 1 346.391 0.919 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1OC ZINC000271759289 436694552 /nfs/dbraw/zinc/69/45/52/436694552.db2.gz YASLWQULYHKZOZ-LLVKDONJSA-N 1 1 344.433 0.910 20 10 ECCDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272365132 436713407 /nfs/dbraw/zinc/71/34/07/436713407.db2.gz CNAMWSKYJXRBOR-IYNGYCSASA-N 1 1 333.388 0.567 20 10 ECCDMO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c(O)c1O ZINC000272722213 436720418 /nfs/dbraw/zinc/72/04/18/436720418.db2.gz FMVORJJLVJQFMG-UHFFFAOYSA-N 1 1 335.404 0.689 20 10 ECCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCN2CCN(C(C)=O)CC2)c1 ZINC000273386029 436751230 /nfs/dbraw/zinc/75/12/30/436751230.db2.gz JNXCRAPMKZIXDU-CYBMUJFWSA-N 1 1 349.431 0.994 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](O)C(C)(C)C1)cc2=O ZINC000279785552 436840000 /nfs/dbraw/zinc/84/00/00/436840000.db2.gz NWRMFQXUBJRTJN-LBPRGKRZSA-N 1 1 334.376 0.814 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(CN1CCC[N@@H+](C)CC1)cc2=O ZINC000297716478 437014418 /nfs/dbraw/zinc/01/44/18/437014418.db2.gz BPQLQBSNFRBKTI-UHFFFAOYSA-N 1 1 333.392 0.749 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+](C)C3(CO)CC3)CC2)cc1 ZINC000285400590 437077147 /nfs/dbraw/zinc/07/71/47/437077147.db2.gz FEICXYJKCYMMKT-UHFFFAOYSA-N 1 1 333.432 0.801 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)C3(CO)CC3)CC2)cc1 ZINC000285400590 437077152 /nfs/dbraw/zinc/07/71/52/437077152.db2.gz FEICXYJKCYMMKT-UHFFFAOYSA-N 1 1 333.432 0.801 20 10 ECCDMO C[C@H](O)C[N@H+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000299484414 437082107 /nfs/dbraw/zinc/08/21/07/437082107.db2.gz ZRNVLDBTTMGMBW-HOTGVXAUSA-N 1 1 348.491 0.756 20 10 ECCDMO C[N@H+]1CC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000265546099 437148211 /nfs/dbraw/zinc/14/82/11/437148211.db2.gz SCDYUHYARMXXAM-SNVBAGLBSA-N 1 1 327.406 0.445 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C[C@H](C)C(=O)NC)cc2=O ZINC000267083884 437286511 /nfs/dbraw/zinc/28/65/11/437286511.db2.gz KACMNIGDFGWYKC-JTQLQIEISA-N 1 1 349.391 0.426 20 10 ECCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]12 ZINC000366483690 438082925 /nfs/dbraw/zinc/08/29/25/438082925.db2.gz RCLCMOXQKINFRV-JKSUJKDBSA-N 1 1 329.400 0.618 20 10 ECCDMO COc1ccc(O)c([C@@H](C)[N@@H+]2CCO[C@@H](CN(C)CC(N)=O)C2)c1 ZINC000377697273 438324279 /nfs/dbraw/zinc/32/42/79/438324279.db2.gz OELZMPAOJDVREC-OCCSQVGLSA-N 1 1 337.420 0.580 20 10 ECCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCO[C@@H](CN(C)CC(N)=O)C2)c1 ZINC000377697273 438324283 /nfs/dbraw/zinc/32/42/83/438324283.db2.gz OELZMPAOJDVREC-OCCSQVGLSA-N 1 1 337.420 0.580 20 10 ECCDMO CC[N@@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@H]1C ZINC000754505534 579418849 /nfs/dbraw/zinc/41/88/49/579418849.db2.gz BOJJKWKXNMZNML-NSHDSACASA-N 1 1 341.433 0.930 20 10 ECCDMO CC[N@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C[C@@H]1C ZINC000754505534 579418850 /nfs/dbraw/zinc/41/88/50/579418850.db2.gz BOJJKWKXNMZNML-NSHDSACASA-N 1 1 341.433 0.930 20 10 ECCDMO COC(=O)[C@]12C[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C[C@H]1COCC2 ZINC000794683828 578597915 /nfs/dbraw/zinc/59/79/15/578597915.db2.gz RCLPXRYATRGJSN-WBHUJUFNSA-N 1 1 349.383 0.830 20 10 ECCDMO COC(=O)c1cn(CC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)nn1 ZINC000793564044 578931297 /nfs/dbraw/zinc/93/12/97/578931297.db2.gz BJFCCHOAOLXDNW-SNVBAGLBSA-N 1 1 348.359 0.908 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1OC ZINC000775696198 579269914 /nfs/dbraw/zinc/26/99/14/579269914.db2.gz INOYMXDVPLICFF-LLVKDONJSA-N 1 1 330.406 0.662 20 10 ECCDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000842163519 589015747 /nfs/dbraw/zinc/01/57/47/589015747.db2.gz PDIYWBWYNFNZGI-HOTGVXAUSA-N 1 1 348.491 0.756 20 10 ECCDMO Cc1nnc(CN2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)[nH]1 ZINC000895266775 586172781 /nfs/dbraw/zinc/17/27/81/586172781.db2.gz NHERVJRCHJOHOA-UHFFFAOYSA-N 1 1 331.376 0.865 20 10 ECCDMO COc1ccc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)c(O)c1OC ZINC000891620743 586182668 /nfs/dbraw/zinc/18/26/68/586182668.db2.gz KRMWJZSASCHGCZ-LBPRGKRZSA-N 1 1 344.433 0.923 20 10 ECCDMO CNC(=O)C1([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCOCC1 ZINC000895883370 586210550 /nfs/dbraw/zinc/21/05/50/586210550.db2.gz AIZNTUVVPFMVLR-UHFFFAOYSA-N 1 1 346.475 0.823 20 10 ECCDMO COCC[NH2+]CCNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000892055195 586218596 /nfs/dbraw/zinc/21/85/96/586218596.db2.gz IBTDFDJAYCHEOP-UHFFFAOYSA-N 1 1 349.479 0.474 20 10 ECCDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000900337347 586625366 /nfs/dbraw/zinc/62/53/66/586625366.db2.gz GVZWDFLVDUQLLA-AEFFLSMTSA-N 1 1 333.432 0.595 20 10 ECCDMO Cn1cnc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000808389973 587154379 /nfs/dbraw/zinc/15/43/79/587154379.db2.gz MZZQAFGSTPYXAX-UHFFFAOYSA-N 1 1 334.445 0.945 20 10 ECCDMO CCOc1ccc(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)c(O)c1 ZINC000809734122 587182235 /nfs/dbraw/zinc/18/22/35/587182235.db2.gz WKUQZDXLZNWUDE-UHFFFAOYSA-N 1 1 346.391 0.122 20 10 ECCDMO COc1cccc(O)c1C[N@@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000811516736 587220318 /nfs/dbraw/zinc/22/03/18/587220318.db2.gz VAIGLTPCFVBCSZ-UHFFFAOYSA-N 1 1 343.449 0.715 20 10 ECCDMO COc1cccc(O)c1C[N@H+]1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000811516736 587220319 /nfs/dbraw/zinc/22/03/19/587220319.db2.gz VAIGLTPCFVBCSZ-UHFFFAOYSA-N 1 1 343.449 0.715 20 10 ECCDMO CN1CCN(C[C@H](O)C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000818973719 587463033 /nfs/dbraw/zinc/46/30/33/587463033.db2.gz VZIMDFLEJNWDQS-LJQANCHMSA-N 1 1 348.491 0.221 20 10 ECCDMO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000819584069 587483205 /nfs/dbraw/zinc/48/32/05/587483205.db2.gz CWRGKTUZLDKULT-PBHICJAKSA-N 1 1 333.432 0.968 20 10 ECCDMO COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000819584069 587483206 /nfs/dbraw/zinc/48/32/06/587483206.db2.gz CWRGKTUZLDKULT-PBHICJAKSA-N 1 1 333.432 0.968 20 10 ECCDMO Nc1ccc(CC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000829764475 588340421 /nfs/dbraw/zinc/34/04/21/588340421.db2.gz MIJHFKDKCCPJJS-KRWDZBQOSA-N 1 1 332.448 0.334 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)CCN2C(=O)CN(C)C2=O)cc1 ZINC000852211381 589450992 /nfs/dbraw/zinc/45/09/92/589450992.db2.gz JIKGWLFQSZQCAP-UHFFFAOYSA-N 1 1 334.420 0.957 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000852497120 589498789 /nfs/dbraw/zinc/49/87/89/589498789.db2.gz UAUQIRURUFJMBV-DOTOQJQBSA-N 1 1 344.459 0.969 20 10 ECCDMO COc1ccc(N2CC[C@@H](NC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)C2)cc1 ZINC000854299351 589577913 /nfs/dbraw/zinc/57/79/13/589577913.db2.gz ORYVJHLATCCYHN-KDOFPFPSSA-N 1 1 348.447 0.640 20 10 ECCDMO C[NH+]1CCN(CC2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)CC1 ZINC000854644259 589597748 /nfs/dbraw/zinc/59/77/48/589597748.db2.gz LFNXZYZFYPGJAQ-HWKANZROSA-N 1 1 331.416 0.817 20 10 ECCDMO CNS(=O)(=O)CC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000856722104 589671643 /nfs/dbraw/zinc/67/16/43/589671643.db2.gz RYXPWWMKBFNWNK-UHFFFAOYSA-N 1 1 327.450 0.757 20 10 ECCDMO CNS(=O)(=O)CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000856731495 589672243 /nfs/dbraw/zinc/67/22/43/589672243.db2.gz QGXFSLCXWMIZRZ-AWEZNQCLSA-N 1 1 328.434 0.922 20 10 ECCDMO C[C@@H]([NH2+]C[C@]12COCCN1C(=O)COC2)c1cc(F)cc(F)c1O ZINC000866551545 589749765 /nfs/dbraw/zinc/74/97/65/589749765.db2.gz AQMXHYVXARJLQG-QLJPJBMISA-N 1 1 342.342 0.949 20 10 ECCDMO CN(C)S(=O)(=O)N1CC([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000862536727 589942641 /nfs/dbraw/zinc/94/26/41/589942641.db2.gz MOHDHKDNEKJHDJ-UHFFFAOYSA-N 1 1 337.804 0.765 20 10 ECCDMO Oc1cc2c(cc1C[NH+]1CCN(c3nccnn3)CC1)[C@H](O)CO2 ZINC000863271643 589996750 /nfs/dbraw/zinc/99/67/50/589996750.db2.gz CCGHEMBDMOBSGN-CQSZACIVSA-N 1 1 329.360 0.325 20 10 ECCDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875800316 590332715 /nfs/dbraw/zinc/33/27/15/590332715.db2.gz LCPCGHKOBSPGJK-AWEZNQCLSA-N 1 1 332.404 0.757 20 10 ECCDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1CC(N)=O ZINC000948075022 611410043 /nfs/dbraw/zinc/41/00/43/611410043.db2.gz WJXMROPEYNVBBB-MFKMUULPSA-N 1 1 346.391 0.917 20 10 ECCDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1CC(N)=O ZINC000948075022 611410047 /nfs/dbraw/zinc/41/00/47/611410047.db2.gz WJXMROPEYNVBBB-MFKMUULPSA-N 1 1 346.391 0.917 20 10 ECCDMO Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000927857942 611644292 /nfs/dbraw/zinc/64/42/92/611644292.db2.gz OBEJBMFNBZYPJL-ZIAGYGMSSA-N 1 1 334.445 0.903 20 10 ECCDMO Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000927857942 611644295 /nfs/dbraw/zinc/64/42/95/611644295.db2.gz OBEJBMFNBZYPJL-ZIAGYGMSSA-N 1 1 334.445 0.903 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@H]2CCCN(C(C)=O)C2)cc1 ZINC000998325872 744118860 /nfs/dbraw/zinc/11/88/60/744118860.db2.gz GFZAZWXYYMJXIU-ZDUSSCGKSA-N 1 1 330.392 0.771 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@@H]2C[C@H](C)N(C(C)=O)C2)cc1 ZINC000987649941 751054148 /nfs/dbraw/zinc/05/41/48/751054148.db2.gz ZICZPOHZIOUOGY-WCQYABFASA-N 1 1 330.392 0.770 20 10 ECCDMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340310 752435870 /nfs/dbraw/zinc/43/58/70/752435870.db2.gz NUZIZXAABGVHKF-GWCFXTLKSA-N 1 1 346.391 0.917 20 10 ECCDMO C[C@@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340310 752435873 /nfs/dbraw/zinc/43/58/73/752435873.db2.gz NUZIZXAABGVHKF-GWCFXTLKSA-N 1 1 346.391 0.917 20 10 ECCDMO C[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862531 763263712 /nfs/dbraw/zinc/26/37/12/763263712.db2.gz MFOPZVYFABSJJR-MGPLVRAMSA-N 1 1 346.391 0.917 20 10 ECCDMO C[C@@H](C(N)=O)[N@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862531 763263721 /nfs/dbraw/zinc/26/37/21/763263721.db2.gz MFOPZVYFABSJJR-MGPLVRAMSA-N 1 1 346.391 0.917 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)cc(OC)n1 ZINC001015101349 763880491 /nfs/dbraw/zinc/88/04/91/763880491.db2.gz FXSMLIACHRUELC-CQSZACIVSA-N 1 1 345.403 0.837 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)cc(OC)n1 ZINC001015101349 763880498 /nfs/dbraw/zinc/88/04/98/763880498.db2.gz FXSMLIACHRUELC-CQSZACIVSA-N 1 1 345.403 0.837 20 10 ECCDMO COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001266361983 835772884 /nfs/dbraw/zinc/77/28/84/835772884.db2.gz WITLIDNIZGAVLZ-KBPBESRZSA-N 1 1 349.391 0.660 20 10 ECCDMO COc1ccc(N2CC[NH+](CCCS(N)(=O)=O)CC2)cc1F ZINC000084866573 436385139 /nfs/dbraw/zinc/38/51/39/436385139.db2.gz QFOMWRCDPSRIHE-UHFFFAOYSA-N 1 1 331.413 0.635 20 10 ECCDMO C[N@@H+]1CC=C(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000271864953 436696207 /nfs/dbraw/zinc/69/62/07/436696207.db2.gz BBECWUDVDWYVSA-UHFFFAOYSA-N 1 1 339.417 0.755 20 10 ECCDMO COc1ccc(N2CCC[N@@H+](CCNS(C)(=O)=O)CC2)cc1 ZINC000170958393 436961952 /nfs/dbraw/zinc/96/19/52/436961952.db2.gz IJPQWSBNTWTCLZ-UHFFFAOYSA-N 1 1 327.450 0.757 20 10 ECCDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283678465 437030434 /nfs/dbraw/zinc/03/04/34/437030434.db2.gz ZLSQHBRSUMYKLI-INIZCTEOSA-N 1 1 332.448 0.969 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000285080703 437076427 /nfs/dbraw/zinc/07/64/27/437076427.db2.gz PDMJNPQSKFDODJ-UHFFFAOYSA-N 1 1 332.448 0.921 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)Cn3cccn3)CC2)cc1 ZINC000299493774 437081163 /nfs/dbraw/zinc/08/11/63/437081163.db2.gz IKLHJKQOVFMGBS-UHFFFAOYSA-N 1 1 343.431 0.830 20 10 ECCDMO COc1c(O)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000290208892 437470303 /nfs/dbraw/zinc/47/03/03/437470303.db2.gz QGZGLUXQVZISKG-WCBMZHEXSA-N 1 1 330.362 0.832 20 10 ECCDMO CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)c3cccc(O)c3O)CC2)C1 ZINC000376552400 438285407 /nfs/dbraw/zinc/28/54/07/438285407.db2.gz CVIGTWDATVLQCA-CQSZACIVSA-N 1 1 349.431 0.576 20 10 ECCDMO CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3cccc(O)c3O)CC2)C1 ZINC000376552400 438285413 /nfs/dbraw/zinc/28/54/13/438285413.db2.gz CVIGTWDATVLQCA-CQSZACIVSA-N 1 1 349.431 0.576 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000754021248 579411031 /nfs/dbraw/zinc/41/10/31/579411031.db2.gz YMDULAZWHYWROT-MSOLQXFVSA-N 1 1 349.475 0.635 20 10 ECCDMO CC[N@@H+](CCO)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000754027430 579411228 /nfs/dbraw/zinc/41/12/28/579411228.db2.gz KNFBWVSUKCWKLC-KRWDZBQOSA-N 1 1 337.464 0.492 20 10 ECCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c1 ZINC000756489724 579450534 /nfs/dbraw/zinc/45/05/34/579450534.db2.gz IZZLXZPRTDTVBI-GFCCVEGCSA-N 1 1 335.404 0.603 20 10 ECCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)CN1CCCC1=O ZINC000732408645 578325152 /nfs/dbraw/zinc/32/51/52/578325152.db2.gz VQBQFMOIVHJWJM-GOSISDBHSA-N 1 1 347.459 0.938 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC3(CNC(=O)O3)CC2)cc1 ZINC000782002203 578718529 /nfs/dbraw/zinc/71/85/29/578718529.db2.gz XKLGUQRDFOFRER-UHFFFAOYSA-N 1 1 346.431 0.943 20 10 ECCDMO NC(=O)NCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771062544 579183539 /nfs/dbraw/zinc/18/35/39/579183539.db2.gz AXPGFMQIOXTQEZ-LBPRGKRZSA-N 1 1 340.811 0.795 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C[C@H](O)C1CC1)cc2=O ZINC000747659096 579853815 /nfs/dbraw/zinc/85/38/15/579853815.db2.gz XYARNPFIGPEYTN-ZDUSSCGKSA-N 1 1 334.376 0.814 20 10 ECCDMO C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccc(N(C)C)cc1 ZINC000842203831 589020719 /nfs/dbraw/zinc/02/07/19/589020719.db2.gz XKGLODFDCOCVTR-SNVBAGLBSA-N 1 1 328.363 0.640 20 10 ECCDMO COC(=O)[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2O)C[C@@H]1S(C)(=O)=O ZINC000895512725 586186776 /nfs/dbraw/zinc/18/67/76/586186776.db2.gz QQPHTOVESAWTNZ-SMDDNHRTSA-N 1 1 349.355 0.736 20 10 ECCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000843434117 589066938 /nfs/dbraw/zinc/06/69/38/589066938.db2.gz RIQUMAXTDPLWLZ-GHMZBOCLSA-N 1 1 340.332 0.665 20 10 ECCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000843434120 589066819 /nfs/dbraw/zinc/06/68/19/589066819.db2.gz RIQUMAXTDPLWLZ-MNOVXSKESA-N 1 1 340.332 0.665 20 10 ECCDMO CN(C)S(=O)(=O)NCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000839090024 586837190 /nfs/dbraw/zinc/83/71/90/586837190.db2.gz GYGWNOBBZJKKIJ-UHFFFAOYSA-N 1 1 325.793 0.670 20 10 ECCDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC12COC2 ZINC000840098872 587130419 /nfs/dbraw/zinc/13/04/19/587130419.db2.gz FIVZCBLNVCMSQP-DZGCQCFKSA-N 1 1 349.383 0.830 20 10 ECCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc(Br)ccc3O)C[C@H]12 ZINC000824893212 587901346 /nfs/dbraw/zinc/90/13/46/587901346.db2.gz NOQMOXNPPZKWIM-AOOOYVTPSA-N 1 1 325.162 0.859 20 10 ECCDMO COC(=O)/C=C/c1ccc(N2CC[N@H+](C)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000872605721 590132346 /nfs/dbraw/zinc/13/23/46/590132346.db2.gz JPMBHGRWMUFLCA-BPJJOFIESA-N 1 1 335.360 0.894 20 10 ECCDMO COC(=O)/C=C/c1ccc(N2CC[N@@H+](C)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000872605721 590132349 /nfs/dbraw/zinc/13/23/49/590132349.db2.gz JPMBHGRWMUFLCA-BPJJOFIESA-N 1 1 335.360 0.894 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000923281833 611224048 /nfs/dbraw/zinc/22/40/48/611224048.db2.gz RAUIGHHFPLOOJT-RDJZCZTQSA-N 1 1 334.464 0.211 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000923282492 611224277 /nfs/dbraw/zinc/22/42/77/611224277.db2.gz SQCVRTXVQUBGFJ-AEFFLSMTSA-N 1 1 348.491 0.601 20 10 ECCDMO C[C@@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001047644227 759391196 /nfs/dbraw/zinc/39/11/96/759391196.db2.gz DHOKXKFIINVJSJ-SWHYSGLUSA-N 1 1 349.391 0.347 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)cc(OC)n1 ZINC001015103378 763886497 /nfs/dbraw/zinc/88/64/97/763886497.db2.gz NZVWPACTMFVYFJ-OCCSQVGLSA-N 1 1 335.404 0.939 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](C(=O)OC)C1)cc2=O ZINC000298798300 202348071 /nfs/dbraw/zinc/34/80/71/202348071.db2.gz MUQYGUOCSLRGBT-JTQLQIEISA-N 1 1 348.359 0.607 20 10 ECCDMO O=C(C[N@H+]1CC[C@H](O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000113502633 436638130 /nfs/dbraw/zinc/63/81/30/436638130.db2.gz ZDXMDIMBADXLAU-AWEZNQCLSA-N 1 1 337.395 0.345 20 10 ECCDMO O=C(C[N@@H+]1CC[C@H](O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000113502633 436638131 /nfs/dbraw/zinc/63/81/31/436638131.db2.gz ZDXMDIMBADXLAU-AWEZNQCLSA-N 1 1 337.395 0.345 20 10 ECCDMO CCNC(=O)C[N@H+](CC)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000298723162 437049517 /nfs/dbraw/zinc/04/95/17/437049517.db2.gz LGGPCBJHQVZCRZ-UHFFFAOYSA-N 1 1 349.391 0.570 20 10 ECCDMO CCNC(=O)C[N@@H+](CC)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000298723162 437049521 /nfs/dbraw/zinc/04/95/21/437049521.db2.gz LGGPCBJHQVZCRZ-UHFFFAOYSA-N 1 1 349.391 0.570 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)cc1 ZINC000175253908 437100612 /nfs/dbraw/zinc/10/06/12/437100612.db2.gz OGGYKTZAVONJQS-HNNXBMFYSA-N 1 1 332.448 0.956 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@H](C)O)CC2)cc1 ZINC000277763195 437251884 /nfs/dbraw/zinc/25/18/84/437251884.db2.gz OYJOCGQNROMNLE-AWEZNQCLSA-N 1 1 336.436 0.497 20 10 ECCDMO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)N1 ZINC000193467584 437707558 /nfs/dbraw/zinc/70/75/58/437707558.db2.gz BLDBIDZPNDHWBJ-GOSISDBHSA-N 1 1 344.415 0.697 20 10 ECCDMO O=C1COc2cc([N+](=O)[O-])c(N3CC[N@@H+]4CCOC[C@H]4C3)cc2N1 ZINC000371802947 437993429 /nfs/dbraw/zinc/99/34/29/437993429.db2.gz NMNBOIHCWGXMFD-SNVBAGLBSA-N 1 1 334.332 0.447 20 10 ECCDMO O=C1COc2cc([N+](=O)[O-])c(N3CC[N@H+]4CCOC[C@H]4C3)cc2N1 ZINC000371802947 437993433 /nfs/dbraw/zinc/99/34/33/437993433.db2.gz NMNBOIHCWGXMFD-SNVBAGLBSA-N 1 1 334.332 0.447 20 10 ECCDMO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000368192353 438298531 /nfs/dbraw/zinc/29/85/31/438298531.db2.gz XXXXLHUBMUAETH-UHFFFAOYSA-N 1 1 331.413 0.845 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000368972013 438404664 /nfs/dbraw/zinc/40/46/64/438404664.db2.gz DYTKBABNYARSEM-ZVZYQTTQSA-N 1 1 344.459 0.955 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1 ZINC000368972013 438404667 /nfs/dbraw/zinc/40/46/67/438404667.db2.gz DYTKBABNYARSEM-ZVZYQTTQSA-N 1 1 344.459 0.955 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)[C@@H](C)CO)CC2)cc1 ZINC000754069979 579412316 /nfs/dbraw/zinc/41/23/16/579412316.db2.gz JDNCHUUCSADBJS-DOTOQJQBSA-N 1 1 337.464 0.491 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)C3(C(N)=O)CC3)CC2)cc1 ZINC000731620397 578313216 /nfs/dbraw/zinc/31/32/16/578313216.db2.gz ZQJAXUAKGIVOQL-UHFFFAOYSA-N 1 1 346.431 0.199 20 10 ECCDMO COCCN1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1=O ZINC000787250175 578802841 /nfs/dbraw/zinc/80/28/41/578802841.db2.gz QTZOJZXEAFHFPR-OAHLLOKOSA-N 1 1 336.388 0.499 20 10 ECCDMO COCCN1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1=O ZINC000787250175 578802842 /nfs/dbraw/zinc/80/28/42/578802842.db2.gz QTZOJZXEAFHFPR-OAHLLOKOSA-N 1 1 336.388 0.499 20 10 ECCDMO C[N@@H+](CCN1CCCS1(=O)=O)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768466652 579126361 /nfs/dbraw/zinc/12/63/61/579126361.db2.gz SZMLNIFNLRCQGE-AWEZNQCLSA-N 1 1 342.417 0.285 20 10 ECCDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770160767 579161165 /nfs/dbraw/zinc/16/11/65/579161165.db2.gz CEVJALXEUAXDQE-QWRGUYRKSA-N 1 1 341.433 0.928 20 10 ECCDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770160767 579161167 /nfs/dbraw/zinc/16/11/67/579161167.db2.gz CEVJALXEUAXDQE-QWRGUYRKSA-N 1 1 341.433 0.928 20 10 ECCDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779511595 579316543 /nfs/dbraw/zinc/31/65/43/579316543.db2.gz RZJKYOPGTLFFCK-BRLPQQTGSA-N 1 1 347.415 0.815 20 10 ECCDMO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000760549433 579512420 /nfs/dbraw/zinc/51/24/20/579512420.db2.gz KOLPHQKBBPSEGL-SWLSCSKDSA-N 1 1 333.388 0.854 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1cn[nH]c1)cc2=O ZINC000748039698 579856198 /nfs/dbraw/zinc/85/61/98/579856198.db2.gz TVOWKMDIJRBRDY-UHFFFAOYSA-N 1 1 330.348 0.967 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)Cc1cn[nH]c1)cc2=O ZINC000748039698 579856199 /nfs/dbraw/zinc/85/61/99/579856199.db2.gz TVOWKMDIJRBRDY-UHFFFAOYSA-N 1 1 330.348 0.967 20 10 ECCDMO Nc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000842227219 589022404 /nfs/dbraw/zinc/02/24/04/589022404.db2.gz SQSQHHMONKKAQB-JKSUJKDBSA-N 1 1 330.432 0.671 20 10 ECCDMO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000895703713 586199723 /nfs/dbraw/zinc/19/97/23/586199723.db2.gz NZYQZYIKGAVASU-SFHVURJKSA-N 1 1 333.432 0.548 20 10 ECCDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000895703713 586199725 /nfs/dbraw/zinc/19/97/25/586199725.db2.gz NZYQZYIKGAVASU-SFHVURJKSA-N 1 1 333.432 0.548 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C3CN(C)CC[N@@H+](C)C3)CC2)cc1 ZINC000905104956 586870179 /nfs/dbraw/zinc/87/01/79/586870179.db2.gz QHCOXVRTGNVPJI-UHFFFAOYSA-N 1 1 346.475 0.837 20 10 ECCDMO COCC1CN(C[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000905972740 586925837 /nfs/dbraw/zinc/92/58/37/586925837.db2.gz SSFHUVKKIXGUJN-SFHVURJKSA-N 1 1 349.475 0.756 20 10 ECCDMO CN1CCN(C[C@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000818953742 587462218 /nfs/dbraw/zinc/46/22/18/587462218.db2.gz MJVHIVLSUBYZQS-LJQANCHMSA-N 1 1 332.492 0.985 20 10 ECCDMO CCN1CCN(c2ccc(CNC(=O)COCC[NH3+])cc2F)CC1 ZINC000828877412 588207470 /nfs/dbraw/zinc/20/74/70/588207470.db2.gz RUFICZGUPXJYRZ-UHFFFAOYSA-N 1 1 338.427 0.559 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000844399668 589110330 /nfs/dbraw/zinc/11/03/30/589110330.db2.gz MJSMAHSAZXZRTK-UHFFFAOYSA-N 1 1 346.431 0.661 20 10 ECCDMO COc1ccc(N(C)CC[N@H+](C)CCC(=O)N2CCNCC2)cc1 ZINC000846225582 589191899 /nfs/dbraw/zinc/19/18/99/589191899.db2.gz PJINHNXWYRRMSE-UHFFFAOYSA-N 1 1 334.464 0.885 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)CCC(=O)N2CCNCC2)cc1 ZINC000846225582 589191900 /nfs/dbraw/zinc/19/19/00/589191900.db2.gz PJINHNXWYRRMSE-UHFFFAOYSA-N 1 1 334.464 0.885 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)C(C)(C)CO)CC2)cc1 ZINC000847400765 589245722 /nfs/dbraw/zinc/24/57/22/589245722.db2.gz VYPUXRCIUGTUHT-UHFFFAOYSA-N 1 1 335.448 0.952 20 10 ECCDMO CN1CC(=O)N(CC[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000851715976 589417941 /nfs/dbraw/zinc/41/79/41/589417941.db2.gz GDDMCGKBDUJBOO-UHFFFAOYSA-N 1 1 346.431 0.849 20 10 ECCDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000862552412 589943178 /nfs/dbraw/zinc/94/31/78/589943178.db2.gz YDTODFGWOIWRCT-NSHDSACASA-N 1 1 342.417 0.882 20 10 ECCDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875266110 590288639 /nfs/dbraw/zinc/28/86/39/590288639.db2.gz TXFHWISNESRWKG-UHFFFAOYSA-N 1 1 346.431 0.970 20 10 ECCDMO Cc1cccc(O)c1C[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000876552502 590386289 /nfs/dbraw/zinc/38/62/89/590386289.db2.gz AXRHUPWVXILZRJ-UHFFFAOYSA-N 1 1 347.415 0.204 20 10 ECCDMO O=C1COC[C@]2(C[NH2+]Cc3cc(Cl)c(F)cc3O)COCCN12 ZINC000877732444 590480299 /nfs/dbraw/zinc/48/02/99/590480299.db2.gz KIEULGLOGBZMPH-HNNXBMFYSA-N 1 1 344.770 0.902 20 10 ECCDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(O)cc2O)C1 ZINC000910957697 609783016 /nfs/dbraw/zinc/78/30/16/609783016.db2.gz VNVULXBLOWIXFA-ZDUSSCGKSA-N 1 1 336.388 0.989 20 10 ECCDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(O)cc2O)C1 ZINC000910957697 609783017 /nfs/dbraw/zinc/78/30/17/609783017.db2.gz VNVULXBLOWIXFA-ZDUSSCGKSA-N 1 1 336.388 0.989 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3CCC([NH3+])CC3)CC2)cc1 ZINC000923277114 611223437 /nfs/dbraw/zinc/22/34/37/611223437.db2.gz JYDVIECWUUXAET-SFHVURJKSA-N 1 1 348.491 0.601 20 10 ECCDMO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000923280892 611224004 /nfs/dbraw/zinc/22/40/04/611224004.db2.gz JROJAHXJJPBXNM-SJLPKXTDSA-N 1 1 348.491 0.459 20 10 ECCDMO C[C@H](C(N)=O)[NH+]1CC([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000970953107 734118207 /nfs/dbraw/zinc/11/82/07/734118207.db2.gz CFCZRRQGPKAOSD-VHSXEESVSA-N 1 1 346.391 0.773 20 10 ECCDMO COc1cc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc(OC)n1 ZINC000996369449 757475883 /nfs/dbraw/zinc/47/58/83/757475883.db2.gz XKKYTYAJXHSWJH-CYBMUJFWSA-N 1 1 348.403 0.134 20 10 ECCDMO COCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001047644846 759394211 /nfs/dbraw/zinc/39/42/11/759394211.db2.gz UELJJMTXFJVACZ-KBPBESRZSA-N 1 1 349.391 0.613 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCO)C3)cc(OC)n1 ZINC001047104213 763672338 /nfs/dbraw/zinc/67/23/38/763672338.db2.gz PCZQPVYNBLSCAO-YUTCNCBUSA-N 1 1 335.404 0.674 20 10 ECCDMO CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089067971 764943736 /nfs/dbraw/zinc/94/37/36/764943736.db2.gz FLKGOFKLCMJRSF-MFKMUULPSA-N 1 1 346.391 0.788 20 10 ECCDMO CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089067971 764943741 /nfs/dbraw/zinc/94/37/41/764943741.db2.gz FLKGOFKLCMJRSF-MFKMUULPSA-N 1 1 346.391 0.788 20 10 ECCDMO COC(=O)CNC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000268085502 437364537 /nfs/dbraw/zinc/36/45/37/437364537.db2.gz IQNPGCHVOIARAF-CQSZACIVSA-N 1 1 336.388 0.662 20 10 ECCDMO COC(=O)CNC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000268085502 437364540 /nfs/dbraw/zinc/36/45/40/437364540.db2.gz IQNPGCHVOIARAF-CQSZACIVSA-N 1 1 336.388 0.662 20 10 ECCDMO COc1c(O)c(C[NH2+]CC2(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000279619419 437430877 /nfs/dbraw/zinc/43/08/77/437430877.db2.gz GRIQKDWGVUQREZ-UHFFFAOYSA-N 1 1 330.362 0.976 20 10 ECCDMO CCOc1cccc(C[N@H+]2CCCN(S(N)(=O)=O)CC2)c1O ZINC000372404981 438087084 /nfs/dbraw/zinc/08/70/84/438087084.db2.gz QXLJWNSLAQDFOP-UHFFFAOYSA-N 1 1 329.422 0.502 20 10 ECCDMO O=C(C[C@H]1COCCN1)NCc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000377163972 438303577 /nfs/dbraw/zinc/30/35/77/438303577.db2.gz FALXOPPGDGMTCC-AWEZNQCLSA-N 1 1 336.411 0.230 20 10 ECCDMO CCOc1cccc(C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)c1O ZINC000529665748 439437327 /nfs/dbraw/zinc/43/73/27/439437327.db2.gz QRPUNJPZXRFIDM-UHFFFAOYSA-N 1 1 349.431 0.961 20 10 ECCDMO O=C1COc2cc([N+](=O)[O-])c(N3CC[NH+](CCCO)CC3)cc2N1 ZINC000758155151 579468032 /nfs/dbraw/zinc/46/80/32/579468032.db2.gz MFIWYBZQKRDOEL-UHFFFAOYSA-N 1 1 336.348 0.430 20 10 ECCDMO O=C(NCc1ccccc1O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000734663471 578366132 /nfs/dbraw/zinc/36/61/32/578366132.db2.gz NMQSBSUBNYEXIV-INIZCTEOSA-N 1 1 348.447 0.598 20 10 ECCDMO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000785428976 578768695 /nfs/dbraw/zinc/76/86/95/578768695.db2.gz UISRYRUVHBMVLQ-ZFWWWQNUSA-N 1 1 332.448 0.968 20 10 ECCDMO C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000785432686 578768967 /nfs/dbraw/zinc/76/89/67/578768967.db2.gz HJYVSYJUSVQILT-CZUORRHYSA-N 1 1 348.447 0.204 20 10 ECCDMO C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000785432686 578768969 /nfs/dbraw/zinc/76/89/69/578768969.db2.gz HJYVSYJUSVQILT-CZUORRHYSA-N 1 1 348.447 0.204 20 10 ECCDMO C[N@@H+](CCNC(=O)C(=O)NCCc1ccc(N)cc1)C1CCCC1 ZINC000842208007 589021146 /nfs/dbraw/zinc/02/11/46/589021146.db2.gz XTTKSZORWBLHOH-UHFFFAOYSA-N 1 1 332.448 0.918 20 10 ECCDMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000897579692 586346616 /nfs/dbraw/zinc/34/66/16/586346616.db2.gz FATACMYRFIYYCF-ZDUSSCGKSA-N 1 1 336.411 0.718 20 10 ECCDMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000897579692 586346619 /nfs/dbraw/zinc/34/66/19/586346619.db2.gz FATACMYRFIYYCF-ZDUSSCGKSA-N 1 1 336.411 0.718 20 10 ECCDMO C[N@H+]1CC[C@@H](C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000899473761 586486301 /nfs/dbraw/zinc/48/63/01/586486301.db2.gz XBCIOBIKGFKPHO-MRXNPFEDSA-N 1 1 344.459 0.956 20 10 ECCDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843433638 589066926 /nfs/dbraw/zinc/06/69/26/589066926.db2.gz BQAZSXZXTIFJDP-AEFFLSMTSA-N 1 1 347.459 0.794 20 10 ECCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843433638 589066928 /nfs/dbraw/zinc/06/69/28/589066928.db2.gz BQAZSXZXTIFJDP-AEFFLSMTSA-N 1 1 347.459 0.794 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[NH2+]Cc3cc[nH]n3)CC2)cc1 ZINC000818957471 587462009 /nfs/dbraw/zinc/46/20/09/587462009.db2.gz WFTRNTVCAULVQG-QGZVFWFLSA-N 1 1 345.447 0.691 20 10 ECCDMO CN1CCN(C[C@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000818984525 587463312 /nfs/dbraw/zinc/46/33/12/587463312.db2.gz ASANZSUUKSZVBV-GOSISDBHSA-N 1 1 332.492 0.767 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)C[C@H]3CC(=O)N3)CC2)cc1 ZINC000824285214 587865618 /nfs/dbraw/zinc/86/56/18/587865618.db2.gz BKXSBDYYXDDFGS-AWEZNQCLSA-N 1 1 346.431 0.212 20 10 ECCDMO CO[C@]1(CO)CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000852412760 589495189 /nfs/dbraw/zinc/49/51/89/589495189.db2.gz ZQSLBGMSZDRQKA-GOSISDBHSA-N 1 1 335.448 0.842 20 10 ECCDMO CO[C@]1(CO)CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000852412760 589495190 /nfs/dbraw/zinc/49/51/90/589495190.db2.gz ZQSLBGMSZDRQKA-GOSISDBHSA-N 1 1 335.448 0.842 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)C2)cc1 ZINC000854299352 589577893 /nfs/dbraw/zinc/57/78/93/589577893.db2.gz ORYVJHLATCCYHN-KSSFIOAISA-N 1 1 348.447 0.640 20 10 ECCDMO CN(C)c1cc(F)c(C[NH2+]CC(=O)N2CCN(C)CC2)cc1F ZINC000858117993 589724877 /nfs/dbraw/zinc/72/48/77/589724877.db2.gz JMJUKPOZLRMOMD-UHFFFAOYSA-N 1 1 326.391 0.894 20 10 ECCDMO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@H]2C1 ZINC000872793602 590149599 /nfs/dbraw/zinc/14/95/99/590149599.db2.gz BJJDOOACBWCWHD-JQWIXIFHSA-N 1 1 325.386 0.987 20 10 ECCDMO O=S1(=O)C[C@@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C[C@H]2C1 ZINC000872793602 590149601 /nfs/dbraw/zinc/14/96/01/590149601.db2.gz BJJDOOACBWCWHD-JQWIXIFHSA-N 1 1 325.386 0.987 20 10 ECCDMO C[C@@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1O ZINC000875068444 590267531 /nfs/dbraw/zinc/26/75/31/590267531.db2.gz NDHYGGBQBNDXNO-CYBMUJFWSA-N 1 1 334.420 0.917 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)NC3(C)COC3)CC2)cc1 ZINC000875171978 590278023 /nfs/dbraw/zinc/27/80/23/590278023.db2.gz LUCCIMZITKSROV-UHFFFAOYSA-N 1 1 348.447 0.905 20 10 ECCDMO COC(=O)[C@](C)(O)C[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463247 590313122 /nfs/dbraw/zinc/31/31/22/590313122.db2.gz RVNLFLOFSAYNSK-QGZVFWFLSA-N 1 1 338.404 0.750 20 10 ECCDMO COCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)C(N)=O ZINC000876695523 590399502 /nfs/dbraw/zinc/39/95/02/590399502.db2.gz ARCMRPOYTSHVJF-CQSZACIVSA-N 1 1 335.448 0.970 20 10 ECCDMO COCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H](C)C(N)=O ZINC000876695523 590399504 /nfs/dbraw/zinc/39/95/04/590399504.db2.gz ARCMRPOYTSHVJF-CQSZACIVSA-N 1 1 335.448 0.970 20 10 ECCDMO NC(=O)C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877657991 590476619 /nfs/dbraw/zinc/47/66/19/590476619.db2.gz LDXIEAJFFLDLSM-KRWDZBQOSA-N 1 1 333.432 0.724 20 10 ECCDMO NC(=O)C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877657991 590476620 /nfs/dbraw/zinc/47/66/20/590476620.db2.gz LDXIEAJFFLDLSM-KRWDZBQOSA-N 1 1 333.432 0.724 20 10 ECCDMO CCOc1ccc(C[NH2+]Cc2nnc3c(=O)n(C)ccn23)c(O)c1 ZINC000883334152 590613240 /nfs/dbraw/zinc/61/32/40/590613240.db2.gz OGCWMGNCAULCNS-UHFFFAOYSA-N 1 1 329.360 0.822 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1 ZINC000929239246 611739399 /nfs/dbraw/zinc/73/93/99/611739399.db2.gz XIPBHVLOLBWAOK-HNAYVOBHSA-N 1 1 344.459 0.779 20 10 ECCDMO CCc1nc(N2CC=C(CCNC(=O)CNC(N)=O)CC2)cc(C)[nH+]1 ZINC001089804573 767227581 /nfs/dbraw/zinc/22/75/81/767227581.db2.gz MQZUUCLQXJAYHK-UHFFFAOYSA-N 1 1 346.435 0.659 20 10 ECCDMO O=C(C[N@H+]1CC[C@@H](O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000114485957 436641468 /nfs/dbraw/zinc/64/14/68/436641468.db2.gz ZDXMDIMBADXLAU-CQSZACIVSA-N 1 1 337.395 0.345 20 10 ECCDMO O=C(C[N@@H+]1CC[C@@H](O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000114485957 436641470 /nfs/dbraw/zinc/64/14/70/436641470.db2.gz ZDXMDIMBADXLAU-CQSZACIVSA-N 1 1 337.395 0.345 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000270568006 436674209 /nfs/dbraw/zinc/67/42/09/436674209.db2.gz AEQMYXGXUCVMOE-AWEZNQCLSA-N 1 1 333.436 0.454 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000270568006 436674212 /nfs/dbraw/zinc/67/42/12/436674212.db2.gz AEQMYXGXUCVMOE-AWEZNQCLSA-N 1 1 333.436 0.454 20 10 ECCDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000284549722 437054835 /nfs/dbraw/zinc/05/48/35/437054835.db2.gz GLFSAPNRZWGOTK-WBMJQRKESA-N 1 1 337.395 0.655 20 10 ECCDMO COc1ccc(N2CCC[N@@H+](CC(=O)N3CCN(C)CC3)CC2)cc1 ZINC000178983774 437246869 /nfs/dbraw/zinc/24/68/69/437246869.db2.gz MUDKBBHJZAOSGN-UHFFFAOYSA-N 1 1 346.475 0.981 20 10 ECCDMO COc1cc(Cl)cc(C[N@@H+]2CCCN(S(N)(=O)=O)CC2)c1O ZINC000360342752 437584644 /nfs/dbraw/zinc/58/46/44/437584644.db2.gz KHEIMEWIZPRQPH-UHFFFAOYSA-N 1 1 349.840 0.765 20 10 ECCDMO CCOc1ccc(O)c(C[N@H+]2CCCN(S(N)(=O)=O)CC2)c1 ZINC000371421387 437932583 /nfs/dbraw/zinc/93/25/83/437932583.db2.gz RYZDAWREFQJUQN-UHFFFAOYSA-N 1 1 329.422 0.502 20 10 ECCDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)nn1 ZINC000376926124 438296861 /nfs/dbraw/zinc/29/68/61/438296861.db2.gz HRPIWQKFLVAJDZ-LLVKDONJSA-N 1 1 346.343 0.946 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000754048077 579411684 /nfs/dbraw/zinc/41/16/84/579411684.db2.gz DNDDMGYFWBTZBB-NVXWUHKLSA-N 1 1 337.464 0.491 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)C[C@H](C)O)CC2)cc1 ZINC000754048078 579411713 /nfs/dbraw/zinc/41/17/13/579411713.db2.gz DNDDMGYFWBTZBB-RDJZCZTQSA-N 1 1 337.464 0.491 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000754048079 579411734 /nfs/dbraw/zinc/41/17/34/579411734.db2.gz DNDDMGYFWBTZBB-WBVHZDCISA-N 1 1 337.464 0.491 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@](C)(O)C3)CC2)cc1 ZINC000754050738 579411908 /nfs/dbraw/zinc/41/19/08/579411908.db2.gz ROBQVFDFZWMCLU-HKUYNNGSSA-N 1 1 349.475 0.635 20 10 ECCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)CN1CCCC1=O ZINC000732408646 578325121 /nfs/dbraw/zinc/32/51/21/578325121.db2.gz VQBQFMOIVHJWJM-SFHVURJKSA-N 1 1 347.459 0.938 20 10 ECCDMO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000785986639 578778092 /nfs/dbraw/zinc/77/80/92/578778092.db2.gz VYGOYNYOUQAXGV-CYBMUJFWSA-N 1 1 343.424 0.525 20 10 ECCDMO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000785986639 578778093 /nfs/dbraw/zinc/77/80/93/578778093.db2.gz VYGOYNYOUQAXGV-CYBMUJFWSA-N 1 1 343.424 0.525 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000787998052 578825159 /nfs/dbraw/zinc/82/51/59/578825159.db2.gz VXOHGZZGBKGUAI-DOTOQJQBSA-N 1 1 335.448 0.386 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000787998052 578825160 /nfs/dbraw/zinc/82/51/60/578825160.db2.gz VXOHGZZGBKGUAI-DOTOQJQBSA-N 1 1 335.448 0.386 20 10 ECCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793588217 578931639 /nfs/dbraw/zinc/93/16/39/578931639.db2.gz LFFJWSAYFZIGNM-RISCZKNCSA-N 1 1 342.417 0.284 20 10 ECCDMO CS(=O)(=O)N1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768441808 579125556 /nfs/dbraw/zinc/12/55/56/579125556.db2.gz NSDBHXSKXMYSDP-AWEZNQCLSA-N 1 1 342.417 0.285 20 10 ECCDMO CS(=O)(=O)N1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768441808 579125557 /nfs/dbraw/zinc/12/55/57/579125557.db2.gz NSDBHXSKXMYSDP-AWEZNQCLSA-N 1 1 342.417 0.285 20 10 ECCDMO CNC(=O)CC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000772508724 579208731 /nfs/dbraw/zinc/20/87/31/579208731.db2.gz HGNWERIVLNEVRZ-UHFFFAOYSA-N 1 1 334.420 0.070 20 10 ECCDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841112315 588978697 /nfs/dbraw/zinc/97/86/97/588978697.db2.gz JVKQHVQAIRYLPO-LBPRGKRZSA-N 1 1 334.420 0.511 20 10 ECCDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841112315 588978698 /nfs/dbraw/zinc/97/86/98/588978698.db2.gz JVKQHVQAIRYLPO-LBPRGKRZSA-N 1 1 334.420 0.511 20 10 ECCDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892046083 586218049 /nfs/dbraw/zinc/21/80/49/586218049.db2.gz MTIOIUYKEQPIAA-GFCCVEGCSA-N 1 1 344.433 0.923 20 10 ECCDMO CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000843047422 589047893 /nfs/dbraw/zinc/04/78/93/589047893.db2.gz UVOVQSYGCQBNIS-UHFFFAOYSA-N 1 1 332.448 0.387 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@]3(O)CCOC3)CC2)cc1 ZINC000840294656 587260380 /nfs/dbraw/zinc/26/03/80/587260380.db2.gz RFQDAZDQRLYMRY-SFHVURJKSA-N 1 1 349.431 0.085 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCc4nnnn4CC3)cc2)CC1 ZINC000817419034 587341717 /nfs/dbraw/zinc/34/17/17/587341717.db2.gz OKXMZDOQZAQQLC-MRXNPFEDSA-N 1 1 341.463 0.920 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCNC3=O)CC2)cc1 ZINC000824285662 587865525 /nfs/dbraw/zinc/86/55/25/587865525.db2.gz SEFUVJARCOEWLM-MRXNPFEDSA-N 1 1 346.431 0.070 20 10 ECCDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000826967246 588092838 /nfs/dbraw/zinc/09/28/38/588092838.db2.gz JSFKBTXPOUALJA-DLBZAZTESA-N 1 1 333.432 0.859 20 10 ECCDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000830880956 588390692 /nfs/dbraw/zinc/39/06/92/588390692.db2.gz FSVCDFLXVPPIAZ-ZBFHGGJFSA-N 1 1 349.431 0.225 20 10 ECCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000830880956 588390693 /nfs/dbraw/zinc/39/06/93/588390693.db2.gz FSVCDFLXVPPIAZ-ZBFHGGJFSA-N 1 1 349.431 0.225 20 10 ECCDMO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400928 589110383 /nfs/dbraw/zinc/11/03/83/589110383.db2.gz IDWPLPZXDUREKD-CYBMUJFWSA-N 1 1 337.420 0.741 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]C[C@]3(OCCO)CCOC3)cc2)CC1 ZINC000850358671 589365104 /nfs/dbraw/zinc/36/51/04/589365104.db2.gz UDVPKLSIWGAGSD-LJQANCHMSA-N 1 1 349.475 0.696 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(O)(CO)CC2)cc1 ZINC000852499783 589499267 /nfs/dbraw/zinc/49/92/67/589499267.db2.gz YSZSKBNEAQYODC-UHFFFAOYSA-N 1 1 335.448 0.530 20 10 ECCDMO COc1cc(O)c(C[NH+]2CCN(c3nccnn3)CC2)cc1OC ZINC000862438762 589941448 /nfs/dbraw/zinc/94/14/48/589941448.db2.gz CBFLHANTCCTJDE-UHFFFAOYSA-N 1 1 331.376 0.917 20 10 ECCDMO COCC(=O)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000128687456 590426670 /nfs/dbraw/zinc/42/66/70/590426670.db2.gz DYVRQEUYTNGCIO-UHFFFAOYSA-N 1 1 333.432 0.814 20 10 ECCDMO Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000927857939 611644412 /nfs/dbraw/zinc/64/44/12/611644412.db2.gz OBEJBMFNBZYPJL-KBPBESRZSA-N 1 1 334.445 0.903 20 10 ECCDMO Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000927857939 611644415 /nfs/dbraw/zinc/64/44/15/611644415.db2.gz OBEJBMFNBZYPJL-KBPBESRZSA-N 1 1 334.445 0.903 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN(C)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000923288308 611225166 /nfs/dbraw/zinc/22/51/66/611225166.db2.gz VIRYEGDKZPDYPG-MSOLQXFVSA-N 1 1 348.491 0.472 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN(C)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000923288309 611225182 /nfs/dbraw/zinc/22/51/82/611225182.db2.gz VIRYEGDKZPDYPG-QZTJIDSGSA-N 1 1 348.491 0.472 20 10 ECCDMO NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770325 737343146 /nfs/dbraw/zinc/34/31/46/737343146.db2.gz WQKSRJSAPNBPDP-NSHDSACASA-N 1 1 346.391 0.776 20 10 ECCDMO NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770325 737343152 /nfs/dbraw/zinc/34/31/52/737343152.db2.gz WQKSRJSAPNBPDP-NSHDSACASA-N 1 1 346.391 0.776 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)cc(OC)n1 ZINC001015104141 763889264 /nfs/dbraw/zinc/88/92/64/763889264.db2.gz QMAPTSDROCIOHN-STQMWFEESA-N 1 1 348.403 0.134 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)cc(OC)n1 ZINC001015104141 763889271 /nfs/dbraw/zinc/88/92/71/763889271.db2.gz QMAPTSDROCIOHN-STQMWFEESA-N 1 1 348.403 0.134 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](CCO)C2CCOCC2)cc1 ZINC000298407074 202310530 /nfs/dbraw/zinc/31/05/30/202310530.db2.gz FJNTVUSGXYGSCN-UHFFFAOYSA-N 1 1 335.448 0.842 20 10 ECCDMO O=C1COc2cc([N+](=O)[O-])c(N3CCC[N@H+](CCO)CC3)cc2N1 ZINC000324603918 275019328 /nfs/dbraw/zinc/01/93/28/275019328.db2.gz VGACIYOBXULLND-UHFFFAOYSA-N 1 1 336.348 0.430 20 10 ECCDMO C[C@H](O)C[NH+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000189386628 437595613 /nfs/dbraw/zinc/59/56/13/437595613.db2.gz YXDKENVDJSZHLM-HNNXBMFYSA-N 1 1 334.464 0.367 20 10 ECCDMO CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386994 436090157 /nfs/dbraw/zinc/09/01/57/436090157.db2.gz UINXQCPCTZBYRW-CYBMUJFWSA-N 1 1 334.420 0.799 20 10 ECCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)c1O ZINC000270498952 436674589 /nfs/dbraw/zinc/67/45/89/436674589.db2.gz HTWHTAIOESCPHS-UHFFFAOYSA-N 1 1 335.335 0.908 20 10 ECCDMO COc1ccc(O)c(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000367972110 524736700 /nfs/dbraw/zinc/73/67/00/524736700.db2.gz IPZCSFDIGCEMAT-UHFFFAOYSA-N 1 1 343.449 0.715 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@@H](OC)C3)CC2)cc1 ZINC000754052190 579411850 /nfs/dbraw/zinc/41/18/50/579411850.db2.gz XMXUWSMLDLIXEN-IEBWSBKVSA-N 1 1 349.475 0.899 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)[C@H](C)CO)CC2)cc1 ZINC000754069986 579412282 /nfs/dbraw/zinc/41/22/82/579412282.db2.gz JDNCHUUCSADBJS-WBVHZDCISA-N 1 1 337.464 0.491 20 10 ECCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCN(C)CC2)c1 ZINC000756489749 579450581 /nfs/dbraw/zinc/45/05/81/579450581.db2.gz IZZLXZPRTDTVBI-LBPRGKRZSA-N 1 1 335.404 0.603 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@]1(C)CO)cc2=O ZINC000759903171 579500316 /nfs/dbraw/zinc/50/03/16/579500316.db2.gz TUVZLLBZPUYVAS-MRXNPFEDSA-N 1 1 334.376 0.958 20 10 ECCDMO COCCN1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1=O ZINC000787250173 578802876 /nfs/dbraw/zinc/80/28/76/578802876.db2.gz QTZOJZXEAFHFPR-HNNXBMFYSA-N 1 1 336.388 0.499 20 10 ECCDMO COCCN1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1=O ZINC000787250173 578802877 /nfs/dbraw/zinc/80/28/77/578802877.db2.gz QTZOJZXEAFHFPR-HNNXBMFYSA-N 1 1 336.388 0.499 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000787998059 578825150 /nfs/dbraw/zinc/82/51/50/578825150.db2.gz VXOHGZZGBKGUAI-RDJZCZTQSA-N 1 1 335.448 0.386 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000787998059 578825151 /nfs/dbraw/zinc/82/51/51/578825151.db2.gz VXOHGZZGBKGUAI-RDJZCZTQSA-N 1 1 335.448 0.386 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](C)[C@H](O)C3)CC2)cc1 ZINC000768772603 579131308 /nfs/dbraw/zinc/13/13/08/579131308.db2.gz ZZRYAEPKEHKXGB-WMLDXEAASA-N 1 1 333.432 0.656 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+](CCO)C3CC3)CC2)cc1 ZINC000779218780 579314331 /nfs/dbraw/zinc/31/43/31/579314331.db2.gz HEPNKODJNIXQMX-SFHVURJKSA-N 1 1 349.475 0.635 20 10 ECCDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895702784 586199247 /nfs/dbraw/zinc/19/92/47/586199247.db2.gz VLWYNSDOQGHNTB-SFHVURJKSA-N 1 1 334.416 0.758 20 10 ECCDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000843435932 589066757 /nfs/dbraw/zinc/06/67/57/589066757.db2.gz ZRUCHWDAXWSMKI-RYUDHWBXSA-N 1 1 325.361 0.765 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCc4nnnn4CC3)cc2)CC1 ZINC000817419030 587341641 /nfs/dbraw/zinc/34/16/41/587341641.db2.gz OKXMZDOQZAQQLC-INIZCTEOSA-N 1 1 341.463 0.920 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]CCN3CCC(O)CC3)cc2)CC1 ZINC000825110421 587917360 /nfs/dbraw/zinc/91/73/60/587917360.db2.gz FQCYIJTWKVIWDJ-UHFFFAOYSA-N 1 1 332.492 0.985 20 10 ECCDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000851688164 589414426 /nfs/dbraw/zinc/41/44/26/589414426.db2.gz RUJHBOIMVURBHQ-OAHLLOKOSA-N 1 1 332.448 0.917 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1)cc2=O ZINC000859960797 589731665 /nfs/dbraw/zinc/73/16/65/589731665.db2.gz VRDQPXQJHJPCPN-JGZJWPJOSA-N 1 1 347.375 0.307 20 10 ECCDMO O=S1(=O)C[C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]2C1 ZINC000872793601 590149606 /nfs/dbraw/zinc/14/96/06/590149606.db2.gz BJJDOOACBWCWHD-CMPLNLGQSA-N 1 1 325.386 0.987 20 10 ECCDMO O=S1(=O)C[C@@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]2C1 ZINC000872793601 590149607 /nfs/dbraw/zinc/14/96/07/590149607.db2.gz BJJDOOACBWCWHD-CMPLNLGQSA-N 1 1 325.386 0.987 20 10 ECCDMO NC(=O)CN1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876554694 590386412 /nfs/dbraw/zinc/38/64/12/590386412.db2.gz FIKVNOGSTSNTHU-UHFFFAOYSA-N 1 1 332.448 0.251 20 10 ECCDMO C[N@H+](CCS(N)(=O)=O)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000877827447 590483351 /nfs/dbraw/zinc/48/33/51/590483351.db2.gz VJGKGRFGUHLONA-UHFFFAOYSA-N 1 1 331.413 0.383 20 10 ECCDMO C[N@@H+](CCS(N)(=O)=O)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000877827447 590483354 /nfs/dbraw/zinc/48/33/54/590483354.db2.gz VJGKGRFGUHLONA-UHFFFAOYSA-N 1 1 331.413 0.383 20 10 ECCDMO CC(=O)c1cc(F)cc(CN(C)CC(=O)N2CC[NH+](C)CC2)c1O ZINC000879354932 590581376 /nfs/dbraw/zinc/58/13/76/590581376.db2.gz SBGPABZGAYRUNG-UHFFFAOYSA-N 1 1 337.395 0.940 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN(C)C3C[NH2+]C3)CC2)cc1 ZINC000923357361 611232615 /nfs/dbraw/zinc/23/26/15/611232615.db2.gz YBJUFEUFRKYGPH-KRWDZBQOSA-N 1 1 334.464 0.082 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3C[C@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000923365573 611233824 /nfs/dbraw/zinc/23/38/24/611233824.db2.gz GCJISRBWRBPVBL-IEZWGBDMSA-N 1 1 348.491 0.457 20 10 ECCDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@H]1C ZINC000842242628 611313058 /nfs/dbraw/zinc/31/30/58/611313058.db2.gz UFYVBHXCKLVCBK-KGLIPLIRSA-N 1 1 332.448 0.869 20 10 ECCDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@H]1C ZINC000842242628 611313060 /nfs/dbraw/zinc/31/30/60/611313060.db2.gz UFYVBHXCKLVCBK-KGLIPLIRSA-N 1 1 332.448 0.869 20 10 ECCDMO CN(Cc1ccccc1O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000193421717 612259014 /nfs/dbraw/zinc/25/90/14/612259014.db2.gz KSPFVOMUMIDROS-UHFFFAOYSA-N 1 1 334.420 0.698 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)C2)cc(OC)n1 ZINC001015104241 763888796 /nfs/dbraw/zinc/88/87/96/763888796.db2.gz RIGRGTMBLXAVCA-AWEZNQCLSA-N 1 1 345.403 0.800 20 10 ECCDMO CCOCCC(=O)NCC[NH2+]Cc1nnnn1-c1ccc(OC)cc1 ZINC001124696939 764129919 /nfs/dbraw/zinc/12/99/19/764129919.db2.gz VSIZZPGJJQWATJ-UHFFFAOYSA-N 1 1 348.407 0.303 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)cc1 ZINC001073903988 787487366 /nfs/dbraw/zinc/48/73/66/787487366.db2.gz AGNAREGCBABPIQ-AWEZNQCLSA-N 1 1 349.391 0.662 20 10 ECCDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cc1ccc(N)cc1 ZINC000237027810 436720614 /nfs/dbraw/zinc/72/06/14/436720614.db2.gz DZDXPNIOWQLNAC-MRXNPFEDSA-N 1 1 332.448 0.870 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000283329285 437027339 /nfs/dbraw/zinc/02/73/39/437027339.db2.gz CMIPTBFVVLCJNN-UHFFFAOYSA-N 1 1 344.459 0.923 20 10 ECCDMO COCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283539597 437030813 /nfs/dbraw/zinc/03/08/13/437030813.db2.gz PVIZFPRTDUUAHY-UHFFFAOYSA-N 1 1 336.436 0.063 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)CN(C)C(C)=O)CC2)cc1 ZINC000299489504 437082152 /nfs/dbraw/zinc/08/21/52/437082152.db2.gz FNNKEPVXBYWBJB-UHFFFAOYSA-N 1 1 348.447 0.412 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CC(CO)C3)CC2)cc1 ZINC000276576351 437131272 /nfs/dbraw/zinc/13/12/72/437131272.db2.gz NTSOGJUFCOFIRY-UHFFFAOYSA-N 1 1 348.447 0.451 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000375906531 438266397 /nfs/dbraw/zinc/26/63/97/438266397.db2.gz STOCMYXPLPFIHR-SFHVURJKSA-N 1 1 330.432 0.581 20 10 ECCDMO O=C(c1cccc(O)c1O)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000376051306 438271506 /nfs/dbraw/zinc/27/15/06/438271506.db2.gz VSTYBFMIOACYJD-UHFFFAOYSA-N 1 1 349.431 0.578 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)cc1 ZINC000368239213 438306030 /nfs/dbraw/zinc/30/60/30/438306030.db2.gz HTFDLIKMZBGCCZ-DOTOQJQBSA-N 1 1 344.459 0.779 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000729543196 578296887 /nfs/dbraw/zinc/29/68/87/578296887.db2.gz HTNLBXJIHOHPDQ-INIZCTEOSA-N 1 1 333.432 0.801 20 10 ECCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793588212 578931572 /nfs/dbraw/zinc/93/15/72/578931572.db2.gz LFFJWSAYFZIGNM-BXUZGUMPSA-N 1 1 342.417 0.284 20 10 ECCDMO COC1(CO)CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000773943240 579236916 /nfs/dbraw/zinc/23/69/16/579236916.db2.gz DHPDEUIOUQWTOM-UHFFFAOYSA-N 1 1 335.448 0.842 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2CS(N)(=O)=O)cc1OC ZINC000775696199 579269888 /nfs/dbraw/zinc/26/98/88/579269888.db2.gz INOYMXDVPLICFF-NSHDSACASA-N 1 1 330.406 0.662 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](O)C[C@H]3C)CC2)cc1 ZINC000761111764 579521901 /nfs/dbraw/zinc/52/19/01/579521901.db2.gz DCDFXKLBVNEBOR-GDBMZVCRSA-N 1 1 333.432 0.799 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)NCCOCCC[NH3+])cc2)CC1 ZINC000892289662 586243062 /nfs/dbraw/zinc/24/30/62/586243062.db2.gz FWUXBFPCBMWBDO-UHFFFAOYSA-N 1 1 349.479 0.603 20 10 ECCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(CO)COCCN2C)c1 ZINC000903277527 586774168 /nfs/dbraw/zinc/77/41/68/586774168.db2.gz BCQIHZUMTHONKM-SJCJKPOMSA-N 1 1 338.404 0.523 20 10 ECCDMO CN(C)c1ccc(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1F ZINC000847303574 589240870 /nfs/dbraw/zinc/24/08/70/589240870.db2.gz VVNMDMZGEJOAMQ-UONOGXRCSA-N 1 1 336.411 0.852 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]C[C@@]3(OCCO)CCOC3)cc2)CC1 ZINC000850358669 589364825 /nfs/dbraw/zinc/36/48/25/589364825.db2.gz UDVPKLSIWGAGSD-IBGZPJMESA-N 1 1 349.475 0.696 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000852435197 589496080 /nfs/dbraw/zinc/49/60/80/589496080.db2.gz JSLXVEPPGPXELQ-MRXNPFEDSA-N 1 1 346.431 0.895 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](N3CCOC3=O)C2)cc1 ZINC000852435197 589496083 /nfs/dbraw/zinc/49/60/83/589496083.db2.gz JSLXVEPPGPXELQ-MRXNPFEDSA-N 1 1 346.431 0.895 20 10 ECCDMO COc1ccc(N2CC[NH+](CCCS(N)(=O)=O)CC2)c(OC)c1 ZINC000879461088 590313362 /nfs/dbraw/zinc/31/33/62/590313362.db2.gz CFVBVTZPSWPIEX-UHFFFAOYSA-N 1 1 343.449 0.504 20 10 ECCDMO C[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1CC(N)=O ZINC000948075020 611410073 /nfs/dbraw/zinc/41/00/73/611410073.db2.gz WJXMROPEYNVBBB-GWCFXTLKSA-N 1 1 346.391 0.917 20 10 ECCDMO C[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1CC(N)=O ZINC000948075020 611410076 /nfs/dbraw/zinc/41/00/76/611410076.db2.gz WJXMROPEYNVBBB-GWCFXTLKSA-N 1 1 346.391 0.917 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](O)C[C@@]2(O)CCOC2)cc1 ZINC000930850897 611473894 /nfs/dbraw/zinc/47/38/94/611473894.db2.gz ZQWKQYBHAUIFHB-AEFFLSMTSA-N 1 1 338.448 0.966 20 10 ECCDMO CC[NH+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000919805317 609663320 /nfs/dbraw/zinc/66/33/20/609663320.db2.gz MOEFYADPGWLPEB-UHFFFAOYSA-N 1 1 327.406 0.541 20 10 ECCDMO C[NH2+][C@H]1CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000923277048 611223322 /nfs/dbraw/zinc/22/33/22/611223322.db2.gz BFMPUYMJMIHUDV-FUHWJXTLSA-N 1 1 348.491 0.472 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)C2CC(C)C2)cc1 ZINC001125508934 734635604 /nfs/dbraw/zinc/63/56/04/734635604.db2.gz AYFPAPIACMKIEY-UHFFFAOYSA-N 1 1 344.419 0.923 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@H]2CN(C(C)=O)C[C@H]2C)cc1 ZINC001054304408 767912195 /nfs/dbraw/zinc/91/21/95/767912195.db2.gz ZEJBGVDZIZQSCN-ABAIWWIYSA-N 1 1 330.392 0.627 20 10 ECCDMO COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000053774380 436539208 /nfs/dbraw/zinc/53/92/08/436539208.db2.gz MNZVKBMSIKALMK-CQSZACIVSA-N 1 1 349.431 0.885 20 10 ECCDMO COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000053774380 436539210 /nfs/dbraw/zinc/53/92/10/436539210.db2.gz MNZVKBMSIKALMK-CQSZACIVSA-N 1 1 349.431 0.885 20 10 ECCDMO COc1ccc(N2CC[NH+](CCN3C(=O)NC4(CC4)C3=O)CC2)cc1 ZINC000272456360 436716442 /nfs/dbraw/zinc/71/64/42/436716442.db2.gz PRSUDUNMWOTPMC-UHFFFAOYSA-N 1 1 344.415 0.902 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C(C)(C)C(N)=O)cc2=O ZINC000295792792 436978799 /nfs/dbraw/zinc/97/87/99/436978799.db2.gz VKAOWIVRPBJGRD-UHFFFAOYSA-N 1 1 335.364 0.307 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C(C)(C)C(N)=O)cc2=O ZINC000295792792 436978802 /nfs/dbraw/zinc/97/88/02/436978802.db2.gz VKAOWIVRPBJGRD-UHFFFAOYSA-N 1 1 335.364 0.307 20 10 ECCDMO C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)[N@@H+](C)C1CC1 ZINC000283625135 437030594 /nfs/dbraw/zinc/03/05/94/437030594.db2.gz WHIMKNYJLIDTKF-CYBMUJFWSA-N 1 1 332.448 0.968 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000283630439 437031451 /nfs/dbraw/zinc/03/14/51/437031451.db2.gz WOKADCHTVUUVJH-HNNXBMFYSA-N 1 1 344.459 0.969 20 10 ECCDMO COCC[N@@H+](C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000263794802 436989565 /nfs/dbraw/zinc/98/95/65/436989565.db2.gz ROYMOHQRWAQISZ-UHFFFAOYSA-N 1 1 345.421 0.072 20 10 ECCDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000175003637 437091505 /nfs/dbraw/zinc/09/15/05/437091505.db2.gz OPMQJNBNJSKDPP-GOSISDBHSA-N 1 1 347.459 0.842 20 10 ECCDMO C[N@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000175003637 437091509 /nfs/dbraw/zinc/09/15/09/437091509.db2.gz OPMQJNBNJSKDPP-GOSISDBHSA-N 1 1 347.459 0.842 20 10 ECCDMO CN(C)c1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1F ZINC000264880958 437101604 /nfs/dbraw/zinc/10/16/04/437101604.db2.gz SUYNZVLIMXDGPH-CQSZACIVSA-N 1 1 337.443 0.937 20 10 ECCDMO C[C@@H](O)C[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)CO ZINC000190813453 437638365 /nfs/dbraw/zinc/63/83/65/437638365.db2.gz BVWBRLXSRRKCLU-LSDHHAIUSA-N 1 1 337.464 0.775 20 10 ECCDMO COc1cc(O)c(C[N@@H+]2CCCN(S(N)(=O)=O)CC2)cc1OC ZINC000362048648 437714420 /nfs/dbraw/zinc/71/44/20/437714420.db2.gz WZUBDNWZZMNOEI-UHFFFAOYSA-N 1 1 345.421 0.121 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CCCN(S(N)(=O)=O)CC2)cc1OC ZINC000362048648 437714425 /nfs/dbraw/zinc/71/44/25/437714425.db2.gz WZUBDNWZZMNOEI-UHFFFAOYSA-N 1 1 345.421 0.121 20 10 ECCDMO COc1c([O-])c(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366554460 438092116 /nfs/dbraw/zinc/09/21/16/438092116.db2.gz LPPAXHVSCBLOLA-UWVGGRQHSA-N 1 1 335.316 0.404 20 10 ECCDMO COc1c(O)c(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366554460 438092121 /nfs/dbraw/zinc/09/21/21/438092121.db2.gz LPPAXHVSCBLOLA-UWVGGRQHSA-N 1 1 335.316 0.404 20 10 ECCDMO COc1c(O)c(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366554460 438092125 /nfs/dbraw/zinc/09/21/25/438092125.db2.gz LPPAXHVSCBLOLA-UWVGGRQHSA-N 1 1 335.316 0.404 20 10 ECCDMO COc1ccc(O)c([C@@H](C)[N@@H+]2CCO[C@H](CN(C)CC(N)=O)C2)c1 ZINC000377697274 438325035 /nfs/dbraw/zinc/32/50/35/438325035.db2.gz OELZMPAOJDVREC-TZMCWYRMSA-N 1 1 337.420 0.580 20 10 ECCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCO[C@H](CN(C)CC(N)=O)C2)c1 ZINC000377697274 438325040 /nfs/dbraw/zinc/32/50/40/438325040.db2.gz OELZMPAOJDVREC-TZMCWYRMSA-N 1 1 337.420 0.580 20 10 ECCDMO Cn1ccnc1CN1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768449199 579125786 /nfs/dbraw/zinc/12/57/86/579125786.db2.gz FGFLJWGHOFENNM-INIZCTEOSA-N 1 1 344.415 0.869 20 10 ECCDMO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C[N@H+]1C1CC1 ZINC000842165811 589016377 /nfs/dbraw/zinc/01/63/77/589016377.db2.gz HUMHUTQFYWQXOF-WFASDCNBSA-N 1 1 330.432 0.669 20 10 ECCDMO Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000842227218 589022577 /nfs/dbraw/zinc/02/25/77/589022577.db2.gz SQSQHHMONKKAQB-HZPDHXFCSA-N 1 1 330.432 0.671 20 10 ECCDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842235156 589023419 /nfs/dbraw/zinc/02/34/19/589023419.db2.gz DQGRFMFBLWMFSW-HNNXBMFYSA-N 1 1 332.448 0.728 20 10 ECCDMO Nc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000906715843 586969924 /nfs/dbraw/zinc/96/99/24/586969924.db2.gz AFUONSADQVBMKX-GJZGRUSLSA-N 1 1 332.404 0.265 20 10 ECCDMO Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1 ZINC000906715841 586970270 /nfs/dbraw/zinc/97/02/70/586970270.db2.gz AFUONSADQVBMKX-CABCVRRESA-N 1 1 332.404 0.265 20 10 ECCDMO COC[C@H]1CC[N@H+]1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000815127600 587282800 /nfs/dbraw/zinc/28/28/00/587282800.db2.gz CBYBZJIXORBDLL-QZTJIDSGSA-N 1 1 349.475 0.899 20 10 ECCDMO COC[C@H]1CCN1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815127600 587282801 /nfs/dbraw/zinc/28/28/01/587282801.db2.gz CBYBZJIXORBDLL-QZTJIDSGSA-N 1 1 349.475 0.899 20 10 ECCDMO COc1c(O)c(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000846033714 589182765 /nfs/dbraw/zinc/18/27/65/589182765.db2.gz MMQNWDGSLVUEPV-SNVBAGLBSA-N 1 1 345.377 0.433 20 10 ECCDMO CN1CCN(c2ccc(CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc2)CC1 ZINC000848926204 589315894 /nfs/dbraw/zinc/31/58/94/589315894.db2.gz MZDFPVZGIKGVPE-RBUKOAKNSA-N 1 1 330.476 0.689 20 10 ECCDMO CN1CCN(c2ccc(CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)cc2)CC1 ZINC000848926204 589315895 /nfs/dbraw/zinc/31/58/95/589315895.db2.gz MZDFPVZGIKGVPE-RBUKOAKNSA-N 1 1 330.476 0.689 20 10 ECCDMO O=C1COC[C@@]2(C[NH2+]Cc3c(O)ccc(Cl)c3F)COCCN12 ZINC000865796370 590158047 /nfs/dbraw/zinc/15/80/47/590158047.db2.gz SXFQLFGRFGXQOV-OAHLLOKOSA-N 1 1 344.770 0.902 20 10 ECCDMO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877466171 590467363 /nfs/dbraw/zinc/46/73/63/590467363.db2.gz ZUNOMZMWPISWPS-MRXNPFEDSA-N 1 1 339.461 0.511 20 10 ECCDMO O=C(CO)N1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877504137 590468423 /nfs/dbraw/zinc/46/84/23/590468423.db2.gz HKKXZUDAMHHBAM-UHFFFAOYSA-N 1 1 333.432 0.284 20 10 ECCDMO COc1cc(O)c(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1OC ZINC000877668276 590476987 /nfs/dbraw/zinc/47/69/87/590476987.db2.gz NPGVXMMCVKZTQP-CALCHBBNSA-N 1 1 334.372 0.894 20 10 ECCDMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]2C1=O ZINC000877720174 590479660 /nfs/dbraw/zinc/47/96/60/590479660.db2.gz KCYGSHWNDQNMPR-IYBDPMFKSA-N 1 1 329.400 0.570 20 10 ECCDMO CN1CC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000924007530 611382132 /nfs/dbraw/zinc/38/21/32/611382132.db2.gz NVSKNPHFGVJMSK-QGZVFWFLSA-N 1 1 331.464 0.942 20 10 ECCDMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)NCCc3ccc(N)cc3)C[C@]2(C)C1 ZINC000911288711 609847449 /nfs/dbraw/zinc/84/74/49/609847449.db2.gz UJZTWHRTMYSERE-KDOFPFPSSA-N 1 1 330.432 0.338 20 10 ECCDMO C[NH+]1CCN(C(=O)CCNC(=O)NCc2c(O)cccc2F)CC1 ZINC000914064637 609848702 /nfs/dbraw/zinc/84/87/02/609848702.db2.gz RRCHOORXCPTTRB-UHFFFAOYSA-N 1 1 338.383 0.495 20 10 ECCDMO CCN(CC[NH3+])C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000923400412 611237900 /nfs/dbraw/zinc/23/79/00/611237900.db2.gz AKNIVQKFQBTURQ-KRWDZBQOSA-N 1 1 336.480 0.459 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3C[C@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000923411264 611240291 /nfs/dbraw/zinc/24/02/91/611240291.db2.gz BMNXISMOEAULMQ-NUJGCVRESA-N 1 1 348.491 0.600 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)cc(OC)n1 ZINC001015100750 763880512 /nfs/dbraw/zinc/88/05/12/763880512.db2.gz DICMIMPIQDNRGO-QWHCGFSZSA-N 1 1 348.403 0.182 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)cc(OC)n1 ZINC001015100750 763880521 /nfs/dbraw/zinc/88/05/21/763880521.db2.gz DICMIMPIQDNRGO-QWHCGFSZSA-N 1 1 348.403 0.182 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)cc(OC)n1 ZINC001015100752 763880649 /nfs/dbraw/zinc/88/06/49/763880649.db2.gz DICMIMPIQDNRGO-STQMWFEESA-N 1 1 348.403 0.182 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCCNC3=O)C2)cc(OC)n1 ZINC001015100752 763880657 /nfs/dbraw/zinc/88/06/57/763880657.db2.gz DICMIMPIQDNRGO-STQMWFEESA-N 1 1 348.403 0.182 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)[C@@H]3COC(=O)N3)CC2)nc(C)[nH+]1 ZINC001089829805 767376485 /nfs/dbraw/zinc/37/64/85/767376485.db2.gz YCMRWHUILLMWMZ-AWEZNQCLSA-N 1 1 345.403 0.845 20 10 ECCDMO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(C)no3)C2)cc(OC)n1 ZINC001020352240 772482665 /nfs/dbraw/zinc/48/26/65/772482665.db2.gz DTTVXUCGAPRGIX-HAQNSBGRSA-N 1 1 347.375 0.841 20 10 ECCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)c1O ZINC000083245497 436370280 /nfs/dbraw/zinc/37/02/80/436370280.db2.gz CQMXXBOIERXBHL-OAHLLOKOSA-N 1 1 340.395 0.859 20 10 ECCDMO CN(C)c1ccc(C[NH+]2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000093740900 436488891 /nfs/dbraw/zinc/48/88/91/436488891.db2.gz OIOYGMVWAQYELL-UHFFFAOYSA-N 1 1 326.466 0.159 20 10 ECCDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cc1ccc(N)cc1 ZINC000237017932 436721394 /nfs/dbraw/zinc/72/13/94/436721394.db2.gz DZDXPNIOWQLNAC-INIZCTEOSA-N 1 1 332.448 0.870 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCN(C=O)CC2)cc1 ZINC000272957075 436731652 /nfs/dbraw/zinc/73/16/52/436731652.db2.gz PBUKKJYVRUQYFZ-UHFFFAOYSA-N 1 1 332.448 0.875 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCN(C=O)CC2)cc1 ZINC000272957075 436731656 /nfs/dbraw/zinc/73/16/56/436731656.db2.gz PBUKKJYVRUQYFZ-UHFFFAOYSA-N 1 1 332.448 0.875 20 10 ECCDMO COc1ccc(N2CC[NH+](CCN3C(=O)CNC3=O)CC2)cc1F ZINC000122077239 436731917 /nfs/dbraw/zinc/73/19/17/436731917.db2.gz YURDRRJBXNURNX-UHFFFAOYSA-N 1 1 336.367 0.508 20 10 ECCDMO C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)[N@@H+](C)C1CC1 ZINC000283625139 437031311 /nfs/dbraw/zinc/03/13/11/437031311.db2.gz WHIMKNYJLIDTKF-ZDUSSCGKSA-N 1 1 332.448 0.968 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H](C)CO)CC2)cc1 ZINC000299320112 437068183 /nfs/dbraw/zinc/06/81/83/437068183.db2.gz CBJPHKDHQZSICX-CQSZACIVSA-N 1 1 336.436 0.497 20 10 ECCDMO CC[N@@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@H](C)C1 ZINC000288215947 437295354 /nfs/dbraw/zinc/29/53/54/437295354.db2.gz COYKGTBYBCBCIE-LLVKDONJSA-N 1 1 341.433 0.930 20 10 ECCDMO CC[N@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@H](C)C1 ZINC000288215947 437295357 /nfs/dbraw/zinc/29/53/57/437295357.db2.gz COYKGTBYBCBCIE-LLVKDONJSA-N 1 1 341.433 0.930 20 10 ECCDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(O)c1O ZINC000365996956 438002992 /nfs/dbraw/zinc/00/29/92/438002992.db2.gz LIMQJZXDYOVQMA-ZDUSSCGKSA-N 1 1 335.404 0.234 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H]3C[N@@H+](C)C[C@H]31)cc2=O ZINC000794929959 578601733 /nfs/dbraw/zinc/60/17/33/578601733.db2.gz PPWJLHMTAWKZNJ-BXUZGUMPSA-N 1 1 345.403 0.748 20 10 ECCDMO Cn1cc(CN2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)cn1 ZINC000768450517 579125797 /nfs/dbraw/zinc/12/57/97/579125797.db2.gz JYOTTXHPMWEPNS-QGZVFWFLSA-N 1 1 344.415 0.869 20 10 ECCDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779511599 579316500 /nfs/dbraw/zinc/31/65/00/579316500.db2.gz RZJKYOPGTLFFCK-HZRUHFOJSA-N 1 1 347.415 0.815 20 10 ECCDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000779511600 579316514 /nfs/dbraw/zinc/31/65/14/579316514.db2.gz RZJKYOPGTLFFCK-VSKVDJIOSA-N 1 1 347.415 0.815 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(CN1CC[N@@H+](C)[C@H](C)C1)cc2=O ZINC000761068163 579520536 /nfs/dbraw/zinc/52/05/36/579520536.db2.gz GXIFUUYNTKVDLU-LLVKDONJSA-N 1 1 333.392 0.748 20 10 ECCDMO OCCN1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cc2c(cc1O)OC[C@H]2O ZINC000902641910 586749914 /nfs/dbraw/zinc/74/99/14/586749914.db2.gz CFPOQMKOQFMVQG-BFYDXBDKSA-N 1 1 334.416 0.849 20 10 ECCDMO OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cc2c(cc1O)OC[C@H]2O ZINC000902641910 586749917 /nfs/dbraw/zinc/74/99/17/586749917.db2.gz CFPOQMKOQFMVQG-BFYDXBDKSA-N 1 1 334.416 0.849 20 10 ECCDMO OCC[N@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cc2c(cc1O)OC[C@H]2O ZINC000902641910 586749920 /nfs/dbraw/zinc/74/99/20/586749920.db2.gz CFPOQMKOQFMVQG-BFYDXBDKSA-N 1 1 334.416 0.849 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]C[C@H](O)Cn3cccn3)cc2)CC1 ZINC000905425666 586893769 /nfs/dbraw/zinc/89/37/69/586893769.db2.gz ACAXPIGRHRWRED-SFHVURJKSA-N 1 1 329.448 0.786 20 10 ECCDMO COC[C@H]1CC[N@H+]1C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000815127599 587283115 /nfs/dbraw/zinc/28/31/15/587283115.db2.gz CBYBZJIXORBDLL-MSOLQXFVSA-N 1 1 349.475 0.899 20 10 ECCDMO COC[C@H]1CCN1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815127599 587283116 /nfs/dbraw/zinc/28/31/16/587283116.db2.gz CBYBZJIXORBDLL-MSOLQXFVSA-N 1 1 349.475 0.899 20 10 ECCDMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2=CC(=O)CS2)CC1=O ZINC000820848503 587560033 /nfs/dbraw/zinc/56/00/33/587560033.db2.gz UKRVBJXFMWVVFK-LLVKDONJSA-N 1 1 341.433 0.363 20 10 ECCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000830880951 588390656 /nfs/dbraw/zinc/39/06/56/588390656.db2.gz FSVCDFLXVPPIAZ-GDBMZVCRSA-N 1 1 349.431 0.225 20 10 ECCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000830880951 588390658 /nfs/dbraw/zinc/39/06/58/588390658.db2.gz FSVCDFLXVPPIAZ-GDBMZVCRSA-N 1 1 349.431 0.225 20 10 ECCDMO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844401980 589110437 /nfs/dbraw/zinc/11/04/37/589110437.db2.gz NSPRQXCFXDOPRC-IAGOWNOFSA-N 1 1 335.448 0.793 20 10 ECCDMO CNS(=O)(=O)CCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000116345762 589774506 /nfs/dbraw/zinc/77/45/06/589774506.db2.gz UAWNTYIGPJMUMZ-UHFFFAOYSA-N 1 1 341.477 0.894 20 10 ECCDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868044732 589870194 /nfs/dbraw/zinc/87/01/94/589870194.db2.gz QYOYYPFSFSJHLH-GFCCVEGCSA-N 1 1 334.420 0.963 20 10 ECCDMO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@@H]3CO)CC2)cc1 ZINC000934015829 608787956 /nfs/dbraw/zinc/78/79/56/608787956.db2.gz GVQMONLZAHJOJN-SJORKVTESA-N 1 1 335.448 0.245 20 10 ECCDMO C[NH2+][C@H]1CCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000923277050 611223246 /nfs/dbraw/zinc/22/32/46/611223246.db2.gz BFMPUYMJMIHUDV-WMZOPIPTSA-N 1 1 348.491 0.472 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000923290704 611225435 /nfs/dbraw/zinc/22/54/35/611225435.db2.gz NPLGXJZAPQYCMX-WMZOPIPTSA-N 1 1 348.491 0.472 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000923292298 611225480 /nfs/dbraw/zinc/22/54/80/611225480.db2.gz HIQCVEIIAUPEOE-MSOLQXFVSA-N 1 1 348.491 0.601 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN(C)C[C@H](C)[NH3+])CC2)cc1 ZINC000923408932 611239915 /nfs/dbraw/zinc/23/99/15/611239915.db2.gz KRFMTKLXVMVJHL-RDJZCZTQSA-N 1 1 336.480 0.457 20 10 ECCDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@@H]1C ZINC000842242625 611312979 /nfs/dbraw/zinc/31/29/79/611312979.db2.gz UFYVBHXCKLVCBK-KBPBESRZSA-N 1 1 332.448 0.869 20 10 ECCDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C[C@@H]1C ZINC000842242625 611312980 /nfs/dbraw/zinc/31/29/80/611312980.db2.gz UFYVBHXCKLVCBK-KBPBESRZSA-N 1 1 332.448 0.869 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@@H]2CN(C(C)=O)C[C@H]2C)cc1 ZINC001054304409 767911813 /nfs/dbraw/zinc/91/18/13/767911813.db2.gz ZEJBGVDZIZQSCN-IAQYHMDHSA-N 1 1 330.392 0.627 20 10 ECCDMO C[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862530 763263660 /nfs/dbraw/zinc/26/36/60/763263660.db2.gz MFOPZVYFABSJJR-HWPZZCPQSA-N 1 1 346.391 0.917 20 10 ECCDMO C[C@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862530 763263669 /nfs/dbraw/zinc/26/36/69/763263669.db2.gz MFOPZVYFABSJJR-HWPZZCPQSA-N 1 1 346.391 0.917 20 10 ECCDMO COCC[N@H+](CC(=O)N(C)C)Cc1cc(OC)c(OC)cc1O ZINC000271718545 436694285 /nfs/dbraw/zinc/69/42/85/436694285.db2.gz JGFPFFZJNIKZON-UHFFFAOYSA-N 1 1 326.393 0.946 20 10 ECCDMO COCC[N@@H+](CC(=O)N(C)C)Cc1cc(OC)c(OC)cc1O ZINC000271718545 436694290 /nfs/dbraw/zinc/69/42/90/436694290.db2.gz JGFPFFZJNIKZON-UHFFFAOYSA-N 1 1 326.393 0.946 20 10 ECCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)C1CCN(S(C)(=O)=O)CC1 ZINC000271245838 436680025 /nfs/dbraw/zinc/68/00/25/436680025.db2.gz CGPVYFRTTALEPB-UHFFFAOYSA-N 1 1 342.417 0.977 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](O)C(C)(C)C1)cc2=O ZINC000279785549 436840566 /nfs/dbraw/zinc/84/05/66/436840566.db2.gz NWRMFQXUBJRTJN-GFCCVEGCSA-N 1 1 334.376 0.814 20 10 ECCDMO COC(=O)/C=C/c1ccc(N2CC[NH2+][C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000298196100 437033329 /nfs/dbraw/zinc/03/33/29/437033329.db2.gz QSNYXPYOFTULAF-TZNOJPMFSA-N 1 1 334.332 0.045 20 10 ECCDMO COC(=O)CNC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000268085501 437364377 /nfs/dbraw/zinc/36/43/77/437364377.db2.gz IQNPGCHVOIARAF-AWEZNQCLSA-N 1 1 336.388 0.662 20 10 ECCDMO COC(=O)CNC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000268085501 437364380 /nfs/dbraw/zinc/36/43/80/437364380.db2.gz IQNPGCHVOIARAF-AWEZNQCLSA-N 1 1 336.388 0.662 20 10 ECCDMO COc1c([O-])c(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366554461 438090902 /nfs/dbraw/zinc/09/09/02/438090902.db2.gz LPPAXHVSCBLOLA-VHSXEESVSA-N 1 1 335.316 0.404 20 10 ECCDMO COc1c(O)c(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366554461 438090907 /nfs/dbraw/zinc/09/09/07/438090907.db2.gz LPPAXHVSCBLOLA-VHSXEESVSA-N 1 1 335.316 0.404 20 10 ECCDMO COc1c(O)c(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366554461 438090912 /nfs/dbraw/zinc/09/09/12/438090912.db2.gz LPPAXHVSCBLOLA-VHSXEESVSA-N 1 1 335.316 0.404 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@H](OC)C3)CC2)cc1 ZINC000754052189 579411797 /nfs/dbraw/zinc/41/17/97/579411797.db2.gz XMXUWSMLDLIXEN-HKUYNNGSSA-N 1 1 349.475 0.899 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000754027086 579411124 /nfs/dbraw/zinc/41/11/24/579411124.db2.gz BHHWNWJCFOLJJG-DLBZAZTESA-N 1 1 335.448 0.245 20 10 ECCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c1 ZINC000756536269 579450937 /nfs/dbraw/zinc/45/09/37/579450937.db2.gz UGPRUCVQPQKYIL-ZDUSSCGKSA-N 1 1 349.431 0.994 20 10 ECCDMO COc1ccc(N2CCN(CCNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000729921680 578300065 /nfs/dbraw/zinc/30/00/65/578300065.db2.gz SBVPMKMLGLZFMY-INIZCTEOSA-N 1 1 346.475 0.885 20 10 ECCDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000770680068 579173440 /nfs/dbraw/zinc/17/34/40/579173440.db2.gz WNEXAXSFQARBSQ-SMDDNHRTSA-N 1 1 342.417 0.332 20 10 ECCDMO C[N@@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1(C)C ZINC000774249091 579244135 /nfs/dbraw/zinc/24/41/35/579244135.db2.gz ILPMKXOEDDCUBK-UHFFFAOYSA-N 1 1 341.433 0.930 20 10 ECCDMO C[N@H+]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1(C)C ZINC000774249091 579244137 /nfs/dbraw/zinc/24/41/37/579244137.db2.gz ILPMKXOEDDCUBK-UHFFFAOYSA-N 1 1 341.433 0.930 20 10 ECCDMO C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@@H+]1C ZINC000748351932 579857949 /nfs/dbraw/zinc/85/79/49/579857949.db2.gz XKAGQAGCKQHZGD-SNVBAGLBSA-N 1 1 327.406 0.540 20 10 ECCDMO C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@H+]1C ZINC000748351932 579857950 /nfs/dbraw/zinc/85/79/50/579857950.db2.gz XKAGQAGCKQHZGD-SNVBAGLBSA-N 1 1 327.406 0.540 20 10 ECCDMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842175901 589017167 /nfs/dbraw/zinc/01/71/67/589017167.db2.gz WXLDTVSZVJUDIR-AWEZNQCLSA-N 1 1 332.448 0.776 20 10 ECCDMO Nc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000842227217 589022489 /nfs/dbraw/zinc/02/24/89/589022489.db2.gz SQSQHHMONKKAQB-HOTGVXAUSA-N 1 1 330.432 0.671 20 10 ECCDMO Nc1ccc(CCNC(=O)C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000842234775 589023489 /nfs/dbraw/zinc/02/34/89/589023489.db2.gz BYSKUBCWPUETKX-UHFFFAOYSA-N 1 1 336.461 0.093 20 10 ECCDMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000897809753 586372405 /nfs/dbraw/zinc/37/24/05/586372405.db2.gz WYXAKLVJMXJJAZ-QGZVFWFLSA-N 1 1 342.443 0.889 20 10 ECCDMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000897809753 586372408 /nfs/dbraw/zinc/37/24/08/586372408.db2.gz WYXAKLVJMXJJAZ-QGZVFWFLSA-N 1 1 342.443 0.889 20 10 ECCDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900025388 586519354 /nfs/dbraw/zinc/51/93/54/586519354.db2.gz DUVCWPXHPRZXPS-MJGOQNOKSA-N 1 1 347.459 0.937 20 10 ECCDMO Nc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000843292190 589059680 /nfs/dbraw/zinc/05/96/80/589059680.db2.gz JGRBUPVEILIIQU-MRXNPFEDSA-N 1 1 346.431 0.921 20 10 ECCDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839480727 586858256 /nfs/dbraw/zinc/85/82/56/586858256.db2.gz LZLMOOLRJLFMSE-ZFWWWQNUSA-N 1 1 332.448 0.955 20 10 ECCDMO COc1c(O)c(C[NH2+]C[C@]2(OCCO)CCOC2)ccc1[N+](=O)[O-] ZINC000826940331 588090841 /nfs/dbraw/zinc/09/08/41/588090841.db2.gz CXPBSQDLQQNGOU-OAHLLOKOSA-N 1 1 342.348 0.567 20 10 ECCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(OCCO)CCOC2)c1 ZINC000850507557 589369000 /nfs/dbraw/zinc/36/90/00/589369000.db2.gz JWBAIIVSQZGITA-YVEFUNNKSA-N 1 1 339.388 0.997 20 10 ECCDMO COCC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)C(N)=O ZINC000876695522 590399622 /nfs/dbraw/zinc/39/96/22/590399622.db2.gz ARCMRPOYTSHVJF-AWEZNQCLSA-N 1 1 335.448 0.970 20 10 ECCDMO COCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)C(N)=O ZINC000876695522 590399625 /nfs/dbraw/zinc/39/96/25/590399625.db2.gz ARCMRPOYTSHVJF-AWEZNQCLSA-N 1 1 335.448 0.970 20 10 ECCDMO COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)C2)cc1 ZINC000931887320 611582768 /nfs/dbraw/zinc/58/27/68/611582768.db2.gz UFBUWGQYFQQJEC-HIFRSBDPSA-N 1 1 346.431 0.210 20 10 ECCDMO COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CC[N@H+]3C)C2)cc1 ZINC000931887320 611582769 /nfs/dbraw/zinc/58/27/69/611582769.db2.gz UFBUWGQYFQQJEC-HIFRSBDPSA-N 1 1 346.431 0.210 20 10 ECCDMO C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1CCO ZINC000187671279 609781009 /nfs/dbraw/zinc/78/10/09/609781009.db2.gz PZWQNTKRVJEUFI-INIZCTEOSA-N 1 1 348.491 0.709 20 10 ECCDMO C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1CCO ZINC000187671279 609781010 /nfs/dbraw/zinc/78/10/10/609781010.db2.gz PZWQNTKRVJEUFI-INIZCTEOSA-N 1 1 348.491 0.709 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@@H](C)N3CC[NH+](C)CC3)CC2)cc1 ZINC000193146529 612152548 /nfs/dbraw/zinc/15/25/48/612152548.db2.gz OQMWVDAIDWQUPV-MRXNPFEDSA-N 1 1 346.475 0.980 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001016379876 766200558 /nfs/dbraw/zinc/20/05/58/766200558.db2.gz ATZPFFDCPIXGNU-STQMWFEESA-N 1 1 344.375 0.542 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)cc1 ZINC001016379876 766200565 /nfs/dbraw/zinc/20/05/65/766200565.db2.gz ATZPFFDCPIXGNU-STQMWFEESA-N 1 1 344.375 0.542 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1OC ZINC000271759290 436694366 /nfs/dbraw/zinc/69/43/66/436694366.db2.gz YASLWQULYHKZOZ-NSHDSACASA-N 1 1 344.433 0.910 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@](C)(C(N)=O)C2)cc1 ZINC000280521686 436901851 /nfs/dbraw/zinc/90/18/51/436901851.db2.gz DXTAJCQOJYOALZ-GOSISDBHSA-N 1 1 332.448 0.908 20 10 ECCDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283678467 437031502 /nfs/dbraw/zinc/03/15/02/437031502.db2.gz ZLSQHBRSUMYKLI-MRXNPFEDSA-N 1 1 332.448 0.969 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)CNC(C)=O)CC2)cc1 ZINC000299498629 437082653 /nfs/dbraw/zinc/08/26/53/437082653.db2.gz LLYSUPXQZCCJKS-UHFFFAOYSA-N 1 1 334.420 0.070 20 10 ECCDMO O=C1NC(=O)[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]12 ZINC000366483688 438081042 /nfs/dbraw/zinc/08/10/42/438081042.db2.gz RCLCMOXQKINFRV-HOTGVXAUSA-N 1 1 329.400 0.618 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@H](C)[C@H](O)C3)CC2)cc1 ZINC000754097213 579412950 /nfs/dbraw/zinc/41/29/50/579412950.db2.gz MHLFRDJVDLTCCV-VDZJLULYSA-N 1 1 349.475 0.491 20 10 ECCDMO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1O ZINC000756536971 579450947 /nfs/dbraw/zinc/45/09/47/579450947.db2.gz YANIYXFDEPIVMV-LBPRGKRZSA-N 1 1 345.440 0.759 20 10 ECCDMO C[N@@H+](CC(=O)NC(=O)NC1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000016387044 588919535 /nfs/dbraw/zinc/91/95/35/588919535.db2.gz FXTQNUVLDBIEBF-UHFFFAOYSA-N 1 1 346.431 0.943 20 10 ECCDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000842163521 589015998 /nfs/dbraw/zinc/01/59/98/589015998.db2.gz PDIYWBWYNFNZGI-JKSUJKDBSA-N 1 1 348.491 0.756 20 10 ECCDMO O=S1(=O)NC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CCN21 ZINC000897277664 586292751 /nfs/dbraw/zinc/29/27/51/586292751.db2.gz JWUJQWGBYRSIIT-AWEZNQCLSA-N 1 1 333.413 0.880 20 10 ECCDMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000897730814 586367132 /nfs/dbraw/zinc/36/71/32/586367132.db2.gz SRLLIWYQFIVYHO-NSHDSACASA-N 1 1 342.490 0.952 20 10 ECCDMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000897730814 586367135 /nfs/dbraw/zinc/36/71/35/586367135.db2.gz SRLLIWYQFIVYHO-NSHDSACASA-N 1 1 342.490 0.952 20 10 ECCDMO C[NH2+]Cc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000843217874 589054341 /nfs/dbraw/zinc/05/43/41/589054341.db2.gz VEGOAYJALLWGPT-UHFFFAOYSA-N 1 1 345.403 0.689 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)CC3COC3)CC2)cc1 ZINC000900405443 586629955 /nfs/dbraw/zinc/62/99/55/586629955.db2.gz ABSFNRMYNXQIPO-UHFFFAOYSA-N 1 1 333.432 0.970 20 10 ECCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1 ZINC000810262962 587191920 /nfs/dbraw/zinc/19/19/20/587191920.db2.gz HEEZTMXPOJDWJF-JTQLQIEISA-N 1 1 330.406 0.721 20 10 ECCDMO COC[C@@H]1CC[N@H+]1C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000815127602 587283067 /nfs/dbraw/zinc/28/30/67/587283067.db2.gz CBYBZJIXORBDLL-ZWKOTPCHSA-N 1 1 349.475 0.899 20 10 ECCDMO COC[C@@H]1CCN1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815127602 587283069 /nfs/dbraw/zinc/28/30/69/587283069.db2.gz CBYBZJIXORBDLL-ZWKOTPCHSA-N 1 1 349.475 0.899 20 10 ECCDMO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000817282347 587337633 /nfs/dbraw/zinc/33/76/33/587337633.db2.gz FIMATTGOSBIRSN-MRXNPFEDSA-N 1 1 332.448 0.921 20 10 ECCDMO CC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000817282347 587337634 /nfs/dbraw/zinc/33/76/34/587337634.db2.gz FIMATTGOSBIRSN-MRXNPFEDSA-N 1 1 332.448 0.921 20 10 ECCDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000817676315 587346302 /nfs/dbraw/zinc/34/63/02/587346302.db2.gz DKBXFRHLQHLHQZ-LBPRGKRZSA-N 1 1 341.433 0.930 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)[C@@H]3C[C@@H]3[NH3+])CC2)cc1 ZINC000844190640 589101436 /nfs/dbraw/zinc/10/14/36/589101436.db2.gz DVHPNZSIXLSGGQ-SJORKVTESA-N 1 1 332.448 0.671 20 10 ECCDMO CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000826706076 588079763 /nfs/dbraw/zinc/07/97/63/588079763.db2.gz FTGZPAFWIHZAGZ-MRXNPFEDSA-N 1 1 332.448 0.921 20 10 ECCDMO COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)cc1 ZINC000855233572 589623431 /nfs/dbraw/zinc/62/34/31/589623431.db2.gz ILOBGQNRWATSBJ-QAPCUYQASA-N 1 1 344.459 0.780 20 10 ECCDMO NC(=O)[C@H]1CCCN(c2ccc(CNc3nc(N)nc(N)[nH+]3)cc2)C1 ZINC000858357741 589743498 /nfs/dbraw/zinc/74/34/98/589743498.db2.gz VLVMGVRZNVTVNY-NSHDSACASA-N 1 1 342.407 0.350 20 10 ECCDMO CC(=O)N1CCN(c2ccc(CNc3nc(N)nc(N)[nH+]3)cc2)CC1 ZINC000858506348 589752998 /nfs/dbraw/zinc/75/29/98/589752998.db2.gz HIDPSCHHAJFCLB-UHFFFAOYSA-N 1 1 342.407 0.317 20 10 ECCDMO CN(C)c1ccc(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000123936248 590097458 /nfs/dbraw/zinc/09/74/58/590097458.db2.gz DXQLMPLBBFYESE-UHFFFAOYSA-N 1 1 346.475 0.729 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@H]4C[C@@]4(O)C3)CC2)cc1 ZINC000880419850 590391757 /nfs/dbraw/zinc/39/17/57/590391757.db2.gz RADSYXGUDHNQFQ-HHXXYDBFSA-N 1 1 347.459 0.245 20 10 ECCDMO O[C@@H]1C[C@H]2CN(Cc3ccc(N4CCC(O)CC4)cc3)CC[N@H+]2C1 ZINC000877618495 590474657 /nfs/dbraw/zinc/47/46/57/590474657.db2.gz WIECTWYIDFEQJO-PKOBYXMFSA-N 1 1 331.460 0.899 20 10 ECCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931871231 611578411 /nfs/dbraw/zinc/57/84/11/611578411.db2.gz YJSJPGXDCSQOQF-INIZCTEOSA-N 1 1 332.448 0.921 20 10 ECCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931871231 611578414 /nfs/dbraw/zinc/57/84/14/611578414.db2.gz YJSJPGXDCSQOQF-INIZCTEOSA-N 1 1 332.448 0.921 20 10 ECCDMO C[NH2+][C@@H]1CCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000923277047 611223317 /nfs/dbraw/zinc/22/33/17/611223317.db2.gz BFMPUYMJMIHUDV-AEFFLSMTSA-N 1 1 348.491 0.472 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@H]2C[C@@H](C)N(C(C)=O)C2)cc1 ZINC000987649943 751053948 /nfs/dbraw/zinc/05/39/48/751053948.db2.gz ZICZPOHZIOUOGY-YPMHNXCESA-N 1 1 330.392 0.770 20 10 ECCDMO C[N@@H+](CCCN1C(=O)CNC1=O)Cc1ccc(N2CCOCC2)cc1 ZINC000104944808 436567937 /nfs/dbraw/zinc/56/79/37/436567937.db2.gz FAQMHVHNNVUHPO-UHFFFAOYSA-N 1 1 346.431 0.897 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](CO)c2cnn(C)c2)cc1 ZINC000274076203 436796599 /nfs/dbraw/zinc/79/65/99/436796599.db2.gz QGKRWFHOFJKIGP-KRWDZBQOSA-N 1 1 345.447 0.768 20 10 ECCDMO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000295083720 436962245 /nfs/dbraw/zinc/96/22/45/436962245.db2.gz QQXCKKXSJOKUAV-JTQLQIEISA-N 1 1 347.393 0.726 20 10 ECCDMO COC1CCN(c2ccc(C[NH+]3CCN(CC(N)=O)CC3)cc2)CC1 ZINC000296247793 436987939 /nfs/dbraw/zinc/98/79/39/436987939.db2.gz FOIBKSPWCIPKPB-UHFFFAOYSA-N 1 1 346.475 0.905 20 10 ECCDMO C[C@@H](CO)[N@H+]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000368963802 438405142 /nfs/dbraw/zinc/40/51/42/438405142.db2.gz LQJBXVAJTJPTOV-INIZCTEOSA-N 1 1 348.491 0.757 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)C3(CO)CC3)CC2)cc1 ZINC000796505486 578625541 /nfs/dbraw/zinc/62/55/41/578625541.db2.gz ZDNLCVRDYDNMFU-QGZVFWFLSA-N 1 1 349.475 0.635 20 10 ECCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](CN3CCOCC3)C1)[C@H](O)CO2 ZINC000768466595 579126214 /nfs/dbraw/zinc/12/62/14/579126214.db2.gz SRJUUVSXQGRXGH-CXAGYDPISA-N 1 1 334.416 0.972 20 10 ECCDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463311 579126243 /nfs/dbraw/zinc/12/62/43/579126243.db2.gz GRIYQGIBUSRYHE-FZMZJTMJSA-N 1 1 342.417 0.332 20 10 ECCDMO NC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771062543 579183573 /nfs/dbraw/zinc/18/35/73/579183573.db2.gz AXPGFMQIOXTQEZ-GFCCVEGCSA-N 1 1 340.811 0.795 20 10 ECCDMO CC[C@@H](CO)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000779752007 579320161 /nfs/dbraw/zinc/32/01/61/579320161.db2.gz JXLIMZRHMJDFCO-HNNXBMFYSA-N 1 1 335.448 0.952 20 10 ECCDMO COc1ccc(N2CCN(C(=O)CN3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000761079257 579521095 /nfs/dbraw/zinc/52/10/95/579521095.db2.gz SAWDLOLWTFSTEA-INIZCTEOSA-N 1 1 346.475 0.980 20 10 ECCDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(N)cc2)C1 ZINC000841002549 588976132 /nfs/dbraw/zinc/97/61/32/588976132.db2.gz ZTGWFPBIWVZHCQ-OAHLLOKOSA-N 1 1 334.420 0.680 20 10 ECCDMO CCN(CC)c1ccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000897282300 586293754 /nfs/dbraw/zinc/29/37/54/586293754.db2.gz HXQSTRJSXZMAGG-INIZCTEOSA-N 1 1 338.477 0.867 20 10 ECCDMO CCN(CC)c1ccc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC000897282300 586293756 /nfs/dbraw/zinc/29/37/56/586293756.db2.gz HXQSTRJSXZMAGG-INIZCTEOSA-N 1 1 338.477 0.867 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000892939413 586302319 /nfs/dbraw/zinc/30/23/19/586302319.db2.gz KAWOSEJWCVPORL-RDJZCZTQSA-N 1 1 329.448 0.694 20 10 ECCDMO Cn1nnnc1CCC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000898040320 586394616 /nfs/dbraw/zinc/39/46/16/586394616.db2.gz RSYMVHHVHBOMCL-UHFFFAOYSA-N 1 1 329.452 0.684 20 10 ECCDMO CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)ccc21 ZINC000803687982 587067158 /nfs/dbraw/zinc/06/71/58/587067158.db2.gz JEWNLITVLYJTHS-MRXNPFEDSA-N 1 1 344.459 0.896 20 10 ECCDMO CC(=O)C(=O)CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000857225880 589690037 /nfs/dbraw/zinc/69/00/37/589690037.db2.gz VZFDKXAQNCHGBQ-UHFFFAOYSA-N 1 1 343.383 0.731 20 10 ECCDMO CN(C)c1ccc(/C=C\C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1 ZINC000858313203 589741362 /nfs/dbraw/zinc/74/13/62/589741362.db2.gz BLUFCLXSDFYULX-WAYWQWQTSA-N 1 1 338.477 0.846 20 10 ECCDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1ccc(N2CCOCC2)cc1 ZINC000875141927 590274981 /nfs/dbraw/zinc/27/49/81/590274981.db2.gz YXCLUQYRNZHLNV-KRWDZBQOSA-N 1 1 348.447 0.389 20 10 ECCDMO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@H+]3CC[C@H](O)C3)C2)cc1 ZINC000875714718 590324060 /nfs/dbraw/zinc/32/40/60/590324060.db2.gz DAVYOYYBPGIJHX-ZBFHGGJFSA-N 1 1 348.447 0.640 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)NCC[N@H+]3CC[C@H](O)C3)C2)cc1 ZINC000875714716 590324280 /nfs/dbraw/zinc/32/42/80/590324280.db2.gz DAVYOYYBPGIJHX-HOCLYGCPSA-N 1 1 348.447 0.640 20 10 ECCDMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]2C1=O ZINC000877719165 590478981 /nfs/dbraw/zinc/47/89/81/590478981.db2.gz LYZAKMASLJIHNY-CALCHBBNSA-N 1 1 343.427 0.694 20 10 ECCDMO Cc1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)c(C)n1-c1ccccn1 ZINC000913191002 610050335 /nfs/dbraw/zinc/05/03/35/610050335.db2.gz HXGFTVLDDZRDDE-SFHVURJKSA-N 1 1 344.415 0.570 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](C)[C@@H]([NH3+])C3)CC2)cc1 ZINC000923365569 611233759 /nfs/dbraw/zinc/23/37/59/611233759.db2.gz GCJISRBWRBPVBL-AYBZRNKSSA-N 1 1 348.491 0.457 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@@H]2CCN(C(=O)C3CC3)C2)cc1 ZINC000965991181 733040658 /nfs/dbraw/zinc/04/06/58/733040658.db2.gz KYTGDNPDNJXYOW-CYBMUJFWSA-N 1 1 342.403 0.771 20 10 ECCDMO CCN1C(=O)C(=CNC[C@@H]2CCC[N@H+]2CC)C(=O)N(CC)C1=S ZINC000028843125 745102950 /nfs/dbraw/zinc/10/29/50/745102950.db2.gz MOVVXQXQWKOBFO-LBPRGKRZSA-N 1 1 338.477 0.940 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@@H]2CCN(C(C)=O)[C@@H]2C)cc1 ZINC000985860709 749226940 /nfs/dbraw/zinc/22/69/40/749226940.db2.gz QBPOZYDNADVHTL-IAQYHMDHSA-N 1 1 330.392 0.770 20 10 ECCDMO Cc1cc(O)c(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)cc1C ZINC000054545109 753768974 /nfs/dbraw/zinc/76/89/74/753768974.db2.gz DFTPOLDZEDTCTL-UHFFFAOYSA-N 1 1 331.416 0.932 20 10 ECCDMO C[N@@H+](CC(=O)N1CCOCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758215 435990156 /nfs/dbraw/zinc/99/01/56/435990156.db2.gz UWHDIZGCCNFCNI-UHFFFAOYSA-N 1 1 333.432 0.814 20 10 ECCDMO C[N@@H+](CCCO)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000281522188 436978289 /nfs/dbraw/zinc/97/82/89/436978289.db2.gz BWVOFQHHCKJDHZ-UHFFFAOYSA-N 1 1 339.411 0.593 20 10 ECCDMO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CSC[NH2+]1 ZINC000165411791 436935131 /nfs/dbraw/zinc/93/51/31/436935131.db2.gz WNCXXHBUZGYEJQ-CYBMUJFWSA-N 1 1 325.409 0.941 20 10 ECCDMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283571141 437030325 /nfs/dbraw/zinc/03/03/25/437030325.db2.gz RXCCVRCXEIOOFP-UHFFFAOYSA-N 1 1 329.404 0.690 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cc1F ZINC000177288410 437178169 /nfs/dbraw/zinc/17/81/69/437178169.db2.gz PICLAVLKCRWWGR-INIZCTEOSA-N 1 1 337.395 0.814 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1F ZINC000177288410 437178177 /nfs/dbraw/zinc/17/81/77/437178177.db2.gz PICLAVLKCRWWGR-INIZCTEOSA-N 1 1 337.395 0.814 20 10 ECCDMO CN(C)c1ccc(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000289795167 437440674 /nfs/dbraw/zinc/44/06/74/437440674.db2.gz MGNOWWMUEUBMKV-UHFFFAOYSA-N 1 1 329.408 0.084 20 10 ECCDMO Cn1cc(/C=C/C(=O)N2CC[NH2+]Cc3ccccc32)c(=O)n(C)c1=O ZINC000269165147 437461952 /nfs/dbraw/zinc/46/19/52/437461952.db2.gz CWFPVMLASZQIPM-BQYQJAHWSA-N 1 1 340.383 0.234 20 10 ECCDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000371362181 437924829 /nfs/dbraw/zinc/92/48/29/437924829.db2.gz YAFTXWQQQWGESH-LLVKDONJSA-N 1 1 330.406 0.533 20 10 ECCDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc(O)c1O ZINC000365996936 438001912 /nfs/dbraw/zinc/00/19/12/438001912.db2.gz LIMQJZXDYOVQMA-CYBMUJFWSA-N 1 1 335.404 0.234 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)[C@@H]3CCOC3)CC2)cc1 ZINC000754028699 579411260 /nfs/dbraw/zinc/41/12/60/579411260.db2.gz BRRBOOXFTSJDDQ-MSOLQXFVSA-N 1 1 349.475 0.899 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]CCCNS(C)(=O)=O)cc2)CC1 ZINC000771822539 579196180 /nfs/dbraw/zinc/19/61/80/579196180.db2.gz GJMDXSDKZNWLLH-UHFFFAOYSA-N 1 1 340.493 0.467 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@](O)(CC)C1)cc2=O ZINC000778391597 579308735 /nfs/dbraw/zinc/30/87/35/579308735.db2.gz KWGNYJKLTVUBLX-INIZCTEOSA-N 1 1 334.376 0.958 20 10 ECCDMO C[NH2+]CCNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000841665129 588996937 /nfs/dbraw/zinc/99/69/37/588996937.db2.gz ILMZDEHKEIHLBT-UHFFFAOYSA-N 1 1 349.479 0.726 20 10 ECCDMO C[NH+](C)[C@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)c1ccco1 ZINC000842024012 589008913 /nfs/dbraw/zinc/00/89/13/589008913.db2.gz LBIDQJPIBKBFFW-OAHLLOKOSA-N 1 1 344.415 0.940 20 10 ECCDMO C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C[N@H+]1C1CC1 ZINC000842165809 589016143 /nfs/dbraw/zinc/01/61/43/589016143.db2.gz HUMHUTQFYWQXOF-SWLSCSKDSA-N 1 1 330.432 0.669 20 10 ECCDMO CC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000817282346 587337779 /nfs/dbraw/zinc/33/77/79/587337779.db2.gz FIMATTGOSBIRSN-INIZCTEOSA-N 1 1 332.448 0.921 20 10 ECCDMO CC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000817282346 587337781 /nfs/dbraw/zinc/33/77/81/587337781.db2.gz FIMATTGOSBIRSN-INIZCTEOSA-N 1 1 332.448 0.921 20 10 ECCDMO CN1CCN(C[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000818984526 587463423 /nfs/dbraw/zinc/46/34/23/587463423.db2.gz ASANZSUUKSZVBV-SFHVURJKSA-N 1 1 332.492 0.767 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)[C@H]3CC[NH2+]3)CC2)cc1 ZINC000844191357 589101812 /nfs/dbraw/zinc/10/18/12/589101812.db2.gz MWOONWLLFRZCFF-QGZVFWFLSA-N 1 1 332.448 0.685 20 10 ECCDMO C[C@@H]1C[N@H+](CCO)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000832783200 588505620 /nfs/dbraw/zinc/50/56/20/588505620.db2.gz OXDXYDONAAGART-MRXNPFEDSA-N 1 1 348.491 0.709 20 10 ECCDMO C[C@@H]1C[N@@H+](CCO)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000832783200 588505621 /nfs/dbraw/zinc/50/56/21/588505621.db2.gz OXDXYDONAAGART-MRXNPFEDSA-N 1 1 348.491 0.709 20 10 ECCDMO COc1ccc(N2CCCN(C(=O)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000109955025 589401525 /nfs/dbraw/zinc/40/15/25/589401525.db2.gz JZVTVEYDSDCFGJ-UHFFFAOYSA-N 1 1 346.475 0.981 20 10 ECCDMO C[NH+]1CCN(C(=O)CCNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875067723 590267167 /nfs/dbraw/zinc/26/71/67/590267167.db2.gz BERWNQMMIYQLCU-UHFFFAOYSA-N 1 1 332.404 0.582 20 10 ECCDMO COCC(=O)N1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876568493 590387288 /nfs/dbraw/zinc/38/72/88/590387288.db2.gz YNKXMYNMCCPHAL-UHFFFAOYSA-N 1 1 347.459 0.938 20 10 ECCDMO C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1CCO ZINC000187715135 611478027 /nfs/dbraw/zinc/47/80/27/611478027.db2.gz QBJDOWKKFCSMMS-HNNXBMFYSA-N 1 1 334.464 0.367 20 10 ECCDMO C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[N@H+]1CCO ZINC000187715135 611478029 /nfs/dbraw/zinc/47/80/29/611478029.db2.gz QBJDOWKKFCSMMS-HNNXBMFYSA-N 1 1 334.464 0.367 20 10 ECCDMO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1CCO ZINC000187715116 611478036 /nfs/dbraw/zinc/47/80/36/611478036.db2.gz QBJDOWKKFCSMMS-OAHLLOKOSA-N 1 1 334.464 0.367 20 10 ECCDMO C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[N@H+]1CCO ZINC000187715116 611478038 /nfs/dbraw/zinc/47/80/38/611478038.db2.gz QBJDOWKKFCSMMS-OAHLLOKOSA-N 1 1 334.464 0.367 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)C3CN(C)CC[N@@H+](C)C3)C2)cc1 ZINC000912291775 609944163 /nfs/dbraw/zinc/94/41/63/609944163.db2.gz CHVDUQWTFKKWOL-INIZCTEOSA-N 1 1 346.475 0.884 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3CCC[NH2+]CC3)CC2)cc1 ZINC000923278170 611223933 /nfs/dbraw/zinc/22/39/33/611223933.db2.gz ZDQSSXQTCRKUKH-SFHVURJKSA-N 1 1 348.491 0.473 20 10 ECCDMO NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770324 737342967 /nfs/dbraw/zinc/34/29/67/737342967.db2.gz WQKSRJSAPNBPDP-LLVKDONJSA-N 1 1 346.391 0.776 20 10 ECCDMO NC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001023770324 737342973 /nfs/dbraw/zinc/34/29/73/737342973.db2.gz WQKSRJSAPNBPDP-LLVKDONJSA-N 1 1 346.391 0.776 20 10 ECCDMO C[N@H+](CCO)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000124007170 741893283 /nfs/dbraw/zinc/89/32/83/741893283.db2.gz OPVJMXMRJDTUBW-UHFFFAOYSA-N 1 1 325.384 0.203 20 10 ECCDMO C[N@@H+](CCO)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000124007170 741893285 /nfs/dbraw/zinc/89/32/85/741893285.db2.gz OPVJMXMRJDTUBW-UHFFFAOYSA-N 1 1 325.384 0.203 20 10 ECCDMO COc1cc(C(=O)NC2CC[NH+]([C@H]3CCNC3=O)CC2)cc(OC)n1 ZINC001003244316 748337976 /nfs/dbraw/zinc/33/79/76/748337976.db2.gz AQBNNEVEKBIQAA-ZDUSSCGKSA-N 1 1 348.403 0.182 20 10 ECCDMO COc1cc(C(=O)NC2CC[NH+]([C@@H]3CCNC3=O)CC2)cc(OC)n1 ZINC001003244315 748338152 /nfs/dbraw/zinc/33/81/52/748338152.db2.gz AQBNNEVEKBIQAA-CYBMUJFWSA-N 1 1 348.403 0.182 20 10 ECCDMO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nonc3C)C2)cc(OC)n1 ZINC001022367925 758632889 /nfs/dbraw/zinc/63/28/89/758632889.db2.gz LTLHSRNYUWHJPZ-TXEJJXNPSA-N 1 1 347.375 0.841 20 10 ECCDMO COc1cc(O)c(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)cc1OC ZINC000271078369 277386023 /nfs/dbraw/zinc/38/60/23/277386023.db2.gz HSQJCRZVZLPROF-UHFFFAOYSA-N 1 1 344.433 0.877 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CCCN(S(C)(=O)=O)CC2)cc1OC ZINC000271078369 277386026 /nfs/dbraw/zinc/38/60/26/277386026.db2.gz HSQJCRZVZLPROF-UHFFFAOYSA-N 1 1 344.433 0.877 20 10 ECCDMO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1COCC[NH2+]1 ZINC000165416390 436935654 /nfs/dbraw/zinc/93/56/54/436935654.db2.gz NJOHBZIAKZERBI-HNNXBMFYSA-N 1 1 337.395 0.391 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)NCCCO)CC2)cc1 ZINC000299363995 437072723 /nfs/dbraw/zinc/07/27/23/437072723.db2.gz WODQZYHZSVFWED-UHFFFAOYSA-N 1 1 336.436 0.499 20 10 ECCDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174472186 437081051 /nfs/dbraw/zinc/08/10/51/437081051.db2.gz ZNWSDPQRFVSXKK-QGZVFWFLSA-N 1 1 333.432 0.812 20 10 ECCDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174472186 437081053 /nfs/dbraw/zinc/08/10/53/437081053.db2.gz ZNWSDPQRFVSXKK-QGZVFWFLSA-N 1 1 333.432 0.812 20 10 ECCDMO COc1cc(O)c(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1OC ZINC000372734553 438109727 /nfs/dbraw/zinc/10/97/27/438109727.db2.gz CIQSMNMVYCLJPK-LLVKDONJSA-N 1 1 330.406 0.662 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1OC ZINC000372734553 438109731 /nfs/dbraw/zinc/10/97/31/438109731.db2.gz CIQSMNMVYCLJPK-LLVKDONJSA-N 1 1 330.406 0.662 20 10 ECCDMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCN2C1=O ZINC000376162292 438272627 /nfs/dbraw/zinc/27/26/27/438272627.db2.gz LPDSXXUDLDGAAN-MRXNPFEDSA-N 1 1 344.415 0.601 20 10 ECCDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000749968019 579345241 /nfs/dbraw/zinc/34/52/41/579345241.db2.gz DFUDLVZZTMEIRA-LLVKDONJSA-N 1 1 328.390 0.635 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H]4C[C@]4(CO)C3)CC2)cc1 ZINC000782616245 578729460 /nfs/dbraw/zinc/72/94/60/578729460.db2.gz KCRLPTAGEACPDN-HNAYVOBHSA-N 1 1 345.443 0.658 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)Cn3ccnc3)CC2)cc1 ZINC000746175923 579832144 /nfs/dbraw/zinc/83/21/44/579832144.db2.gz XUXMLWAILBCZCR-UHFFFAOYSA-N 1 1 343.431 0.830 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)C[C@@H](O)C1CC1)cc2=O ZINC000747659063 579853768 /nfs/dbraw/zinc/85/37/68/579853768.db2.gz XYARNPFIGPEYTN-CYBMUJFWSA-N 1 1 334.376 0.814 20 10 ECCDMO CCS(=O)(=O)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256264 586157042 /nfs/dbraw/zinc/15/70/42/586157042.db2.gz WPKCXTMVZYVASF-HNNXBMFYSA-N 1 1 341.477 0.906 20 10 ECCDMO COc1ccc(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c(O)c1OC ZINC000892074828 586219904 /nfs/dbraw/zinc/21/99/04/586219904.db2.gz AUQIHAJCFCQGGS-NSHDSACASA-N 1 1 330.406 0.533 20 10 ECCDMO O=C([C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1)N1CCNCC1 ZINC000843047537 589047782 /nfs/dbraw/zinc/04/77/82/589047782.db2.gz VIRDCBUCWQRLAU-CYBMUJFWSA-N 1 1 347.415 0.765 20 10 ECCDMO O=C([C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1)N1CCNCC1 ZINC000843047537 589047784 /nfs/dbraw/zinc/04/77/84/589047784.db2.gz VIRDCBUCWQRLAU-CYBMUJFWSA-N 1 1 347.415 0.765 20 10 ECCDMO COCC(COC)[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000840170821 587175742 /nfs/dbraw/zinc/17/57/42/587175742.db2.gz AGUWNBNEHMSOEV-UHFFFAOYSA-N 1 1 338.404 0.900 20 10 ECCDMO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CSC[NH2+]3)cc2)C1 ZINC000844174938 589098791 /nfs/dbraw/zinc/09/87/91/589098791.db2.gz FBHXWGNCQRRIRU-DZGCQCFKSA-N 1 1 348.472 0.667 20 10 ECCDMO CCOC(=O)CN(CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1O ZINC000823582002 587732186 /nfs/dbraw/zinc/73/21/86/587732186.db2.gz WAKHRLOBCPKQCM-UHFFFAOYSA-N 1 1 349.431 0.531 20 10 ECCDMO COc1ccc(N(C)CCN(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000846445686 589201865 /nfs/dbraw/zinc/20/18/65/589201865.db2.gz DTGNMZIHBGNKFY-UHFFFAOYSA-N 1 1 334.464 0.837 20 10 ECCDMO CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C[C@@H]2C1 ZINC000880310404 590382988 /nfs/dbraw/zinc/38/29/88/590382988.db2.gz BBSKWLSGQAESEW-CALCHBBNSA-N 1 1 344.459 0.779 20 10 ECCDMO COCC[N@@H+](C)C[C@@H](O)Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881418040 590453769 /nfs/dbraw/zinc/45/37/69/590453769.db2.gz DOZYUBIBRGDRMO-OAHLLOKOSA-N 1 1 335.408 0.378 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN(C)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000923288310 611225021 /nfs/dbraw/zinc/22/50/21/611225021.db2.gz VIRYEGDKZPDYPG-ROUUACIJSA-N 1 1 348.491 0.472 20 10 ECCDMO O=C1CN(Cc2ccccc2O)C(=O)N1CC[N@H+]1CCCOCC1 ZINC000925346420 611303546 /nfs/dbraw/zinc/30/35/46/611303546.db2.gz BFCNWQNNAVCCOG-UHFFFAOYSA-N 1 1 333.388 0.879 20 10 ECCDMO CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC[NH+](CC(N)=O)CC1 ZINC001006461756 751411983 /nfs/dbraw/zinc/41/19/83/751411983.db2.gz HXUMNQTXQDBCIN-UHFFFAOYSA-N 1 1 346.391 0.871 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)cc(OC)n1 ZINC000980141156 749052650 /nfs/dbraw/zinc/05/26/50/749052650.db2.gz MKSNORWZXZJJRQ-VHDGCEQUSA-N 1 1 349.431 0.921 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3CC[NH2+]CC3)CC2)cc1 ZINC000325164265 756959970 /nfs/dbraw/zinc/95/99/70/756959970.db2.gz JIVWTVXGGAKTQW-KRWDZBQOSA-N 1 1 334.464 0.083 20 10 ECCDMO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnn(C)n3)C2)cc(OC)n1 ZINC001020352618 772483377 /nfs/dbraw/zinc/48/33/77/772483377.db2.gz YFNTVWVLEDKQPK-HAQNSBGRSA-N 1 1 346.391 0.278 20 10 ECCDMO Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(O)c1O ZINC000272757065 436720047 /nfs/dbraw/zinc/72/00/47/436720047.db2.gz PNHLZWIXMWFJCL-AWEZNQCLSA-N 1 1 347.415 0.785 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[NH2+][C@H](CO)c2cnn(C)c2)cc1 ZINC000275194115 436938721 /nfs/dbraw/zinc/93/87/21/436938721.db2.gz PJKVJOYVNNZGHY-MRXNPFEDSA-N 1 1 331.420 0.426 20 10 ECCDMO CC[N@H+]1CCCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000283370033 437029146 /nfs/dbraw/zinc/02/91/46/437029146.db2.gz FVTOQAVBGQPXPV-UHFFFAOYSA-N 1 1 332.448 0.923 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000297062236 437003324 /nfs/dbraw/zinc/00/33/24/437003324.db2.gz DDBHJGYQRCEEMI-FZNQNYSPSA-N 1 1 348.447 0.640 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)CCC(N)=O)CC2)cc1 ZINC000285394952 437077630 /nfs/dbraw/zinc/07/76/30/437077630.db2.gz ANWAOZPXUDJVFN-UHFFFAOYSA-N 1 1 334.420 0.151 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](C)[C@H](CO)C1)cc2=O ZINC000276746538 437155571 /nfs/dbraw/zinc/15/55/71/437155571.db2.gz HAKAAOXCQLGJPV-MNOVXSKESA-N 1 1 334.376 0.672 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)cc1 ZINC000278802316 437345081 /nfs/dbraw/zinc/34/50/81/437345081.db2.gz FWTHYEZITCMVQP-IBGZPJMESA-N 1 1 344.459 0.923 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000372380678 438080656 /nfs/dbraw/zinc/08/06/56/438080656.db2.gz OZGVGBZDNRPLSC-MRXNPFEDSA-N 1 1 328.420 0.907 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000372380678 438080660 /nfs/dbraw/zinc/08/06/60/438080660.db2.gz OZGVGBZDNRPLSC-MRXNPFEDSA-N 1 1 328.420 0.907 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)cc1 ZINC000377727576 438324772 /nfs/dbraw/zinc/32/47/72/438324772.db2.gz RVVKKPNSADLGSK-HOCLYGCPSA-N 1 1 330.432 0.437 20 10 ECCDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000749968020 579345181 /nfs/dbraw/zinc/34/51/81/579345181.db2.gz DFUDLVZZTMEIRA-NSHDSACASA-N 1 1 328.390 0.635 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@@](C)(O)C3)CC2)cc1 ZINC000754050741 579411769 /nfs/dbraw/zinc/41/17/69/579411769.db2.gz ROBQVFDFZWMCLU-PKOBYXMFSA-N 1 1 349.475 0.635 20 10 ECCDMO C[NH+]1CCN(c2ccc(CN3CC[C@@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000785985142 578777877 /nfs/dbraw/zinc/77/78/77/578777877.db2.gz LTPWKTZESJUZGM-MRXNPFEDSA-N 1 1 338.477 0.301 20 10 ECCDMO O=S(=O)(N1CCOCC1)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000770508656 579169183 /nfs/dbraw/zinc/16/91/83/579169183.db2.gz CRSOEDVFFOTPGG-UHFFFAOYSA-N 1 1 341.433 0.087 20 10 ECCDMO C[N@H+]1CC[C@@](O)(CNC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000763012543 579553310 /nfs/dbraw/zinc/55/33/10/579553310.db2.gz MSGDHDXBQOKUIC-GOSISDBHSA-N 1 1 348.447 0.389 20 10 ECCDMO C[C@@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@H+]1C ZINC000743639202 579800201 /nfs/dbraw/zinc/80/02/01/579800201.db2.gz VVDMTJIEANANSL-MNOVXSKESA-N 1 1 341.433 0.976 20 10 ECCDMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842175902 589017245 /nfs/dbraw/zinc/01/72/45/589017245.db2.gz WXLDTVSZVJUDIR-CQSZACIVSA-N 1 1 332.448 0.776 20 10 ECCDMO CCS(=O)(=O)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256265 586157142 /nfs/dbraw/zinc/15/71/42/586157142.db2.gz WPKCXTMVZYVASF-OAHLLOKOSA-N 1 1 341.477 0.906 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000892190243 586228906 /nfs/dbraw/zinc/22/89/06/586228906.db2.gz XAMKKALXFINHFH-KRWDZBQOSA-N 1 1 347.463 0.226 20 10 ECCDMO CN(C)C(=O)C1([NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000839634271 586884736 /nfs/dbraw/zinc/88/47/36/586884736.db2.gz UUUZPEVAXBPRTG-UHFFFAOYSA-N 1 1 332.448 0.921 20 10 ECCDMO COc1c(O)c(C[NH2+]C[C@@]2(OCCO)CCOC2)ccc1[N+](=O)[O-] ZINC000826940330 588090844 /nfs/dbraw/zinc/09/08/44/588090844.db2.gz CXPBSQDLQQNGOU-HNNXBMFYSA-N 1 1 342.348 0.567 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000846920696 589229964 /nfs/dbraw/zinc/22/99/64/589229964.db2.gz NBRPGVUISHYILD-MRXNPFEDSA-N 1 1 332.448 0.921 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000846920696 589229967 /nfs/dbraw/zinc/22/99/67/589229967.db2.gz NBRPGVUISHYILD-MRXNPFEDSA-N 1 1 332.448 0.921 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000847040742 589233680 /nfs/dbraw/zinc/23/36/80/589233680.db2.gz KMGQXMUPSSDSQV-ZWKOTPCHSA-N 1 1 346.475 0.462 20 10 ECCDMO C[N@@H+](CCNS(C)(=O)=O)Cc1ccc(N2CCOCC2)cc1 ZINC000107367573 589277456 /nfs/dbraw/zinc/27/74/56/589277456.db2.gz SETIYNWSUGUFQZ-UHFFFAOYSA-N 1 1 327.450 0.504 20 10 ECCDMO CCn1c(N)c(C(=O)C[N@H+](C)Cc2ccccc2O)c(=O)[nH]c1=O ZINC000109772408 589396070 /nfs/dbraw/zinc/39/60/70/589396070.db2.gz IUNQMJJHINWRFZ-UHFFFAOYSA-N 1 1 332.360 0.159 20 10 ECCDMO CCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccccc2O)c(=O)[nH]c1=O ZINC000109772408 589396072 /nfs/dbraw/zinc/39/60/72/589396072.db2.gz IUNQMJJHINWRFZ-UHFFFAOYSA-N 1 1 332.360 0.159 20 10 ECCDMO COC1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3C(N)=O)cc2)CC1 ZINC000854115539 589572023 /nfs/dbraw/zinc/57/20/23/589572023.db2.gz WFNJNTBRBHXCNB-WBVHZDCISA-N 1 1 333.432 0.722 20 10 ECCDMO COC1CCN(c2ccc(C[N@H+]3C[C@H](O)C[C@H]3C(N)=O)cc2)CC1 ZINC000854115539 589572024 /nfs/dbraw/zinc/57/20/24/589572024.db2.gz WFNJNTBRBHXCNB-WBVHZDCISA-N 1 1 333.432 0.722 20 10 ECCDMO CN(C)c1ccc(/C=C/C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1 ZINC000858313202 589741280 /nfs/dbraw/zinc/74/12/80/589741280.db2.gz BLUFCLXSDFYULX-AATRIKPKSA-N 1 1 338.477 0.846 20 10 ECCDMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868044736 589870403 /nfs/dbraw/zinc/87/04/03/589870403.db2.gz QYOYYPFSFSJHLH-LBPRGKRZSA-N 1 1 334.420 0.963 20 10 ECCDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000862647175 589953332 /nfs/dbraw/zinc/95/33/32/589953332.db2.gz CNAMWSKYJXRBOR-VGVVRCBHSA-N 1 1 333.388 0.567 20 10 ECCDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000913536054 609685653 /nfs/dbraw/zinc/68/56/53/609685653.db2.gz GCWOIZHMSSPYED-TXEJJXNPSA-N 1 1 339.417 0.682 20 10 ECCDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000913536054 609685655 /nfs/dbraw/zinc/68/56/55/609685655.db2.gz GCWOIZHMSSPYED-TXEJJXNPSA-N 1 1 339.417 0.682 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3CC[NH2+]C[C@@H]3C)CC2)cc1 ZINC000923279792 611224334 /nfs/dbraw/zinc/22/43/34/611224334.db2.gz DAXNQGKOBGOGHK-FUHWJXTLSA-N 1 1 348.491 0.472 20 10 ECCDMO CC(=O)N1CC(=O)NC[C@@]12CC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142520554 753928538 /nfs/dbraw/zinc/92/85/38/753928538.db2.gz LJXUXKVRBQYKBW-MRXNPFEDSA-N 1 1 339.342 0.593 20 10 ECCDMO CC(=O)N1CC(=O)NC[C@@]12CC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142520554 753928540 /nfs/dbraw/zinc/92/85/40/753928540.db2.gz LJXUXKVRBQYKBW-MRXNPFEDSA-N 1 1 339.342 0.593 20 10 ECCDMO CC[C@H](C(N)=O)[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032215690 759843768 /nfs/dbraw/zinc/84/37/68/759843768.db2.gz MAUDSUQNJIQSES-CYBMUJFWSA-N 1 1 346.391 0.775 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCF)C[C@H]2O)cc1 ZINC001078253699 782565172 /nfs/dbraw/zinc/56/51/72/782565172.db2.gz NOUDOHADPWYOSS-CHWSQXEVSA-N 1 1 337.355 0.984 20 10 ECCDMO COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253828 782566483 /nfs/dbraw/zinc/56/64/83/782566483.db2.gz UBHGGSOJCVZOMU-CHWSQXEVSA-N 1 1 335.364 0.270 20 10 ECCDMO COCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253828 782566491 /nfs/dbraw/zinc/56/64/91/782566491.db2.gz UBHGGSOJCVZOMU-CHWSQXEVSA-N 1 1 335.364 0.270 20 10 ECCDMO NC(=O)C[N@@H+]1CCC2(CN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001073473484 789877232 /nfs/dbraw/zinc/87/72/32/789877232.db2.gz BJSVDLSWRIGGFL-UHFFFAOYSA-N 1 1 344.375 0.482 20 10 ECCDMO NC(=O)C[N@H+]1CCC2(CN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)C1 ZINC001073473484 789877235 /nfs/dbraw/zinc/87/72/35/789877235.db2.gz BJSVDLSWRIGGFL-UHFFFAOYSA-N 1 1 344.375 0.482 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N2CC3(C2)CC[N@@H+](CCO)C3)cc1 ZINC001073473632 789877423 /nfs/dbraw/zinc/87/74/23/789877423.db2.gz GYDQMWFNSWHXHX-UHFFFAOYSA-N 1 1 331.376 0.989 20 10 ECCDMO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000291476455 437595339 /nfs/dbraw/zinc/59/53/39/437595339.db2.gz FMDCANLEPSALIP-UHFFFAOYSA-N 1 1 344.456 0.910 20 10 ECCDMO COc1ccc(N2CC[NH+](CCN3C(=O)CN(C)C3=O)CC2)cc1 ZINC000272374082 436714243 /nfs/dbraw/zinc/71/42/43/436714243.db2.gz IBLPWAKMWMWFQU-UHFFFAOYSA-N 1 1 332.404 0.711 20 10 ECCDMO CNC(=O)C[NH+]1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000119604507 436669884 /nfs/dbraw/zinc/66/98/84/436669884.db2.gz GFBLNKUDZZGQMP-UHFFFAOYSA-N 1 1 334.420 0.744 20 10 ECCDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000069427140 436773318 /nfs/dbraw/zinc/77/33/18/436773318.db2.gz IRQYHBACUXNVTR-UHFFFAOYSA-N 1 1 334.420 0.744 20 10 ECCDMO COc1c(O)c(C[NH2+][C@H]2CCS(=O)(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000293844018 436913269 /nfs/dbraw/zinc/91/32/69/436913269.db2.gz HHKCEEIEKIBDNT-WPRPVWTQSA-N 1 1 330.362 0.974 20 10 ECCDMO O=C1CNC(=O)N1CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264674566 437062264 /nfs/dbraw/zinc/06/22/64/437062264.db2.gz AIKKPBFVGZMJDE-AWEZNQCLSA-N 1 1 333.388 0.925 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)C3=COCCO3)CC2)cc1 ZINC000299493834 437081926 /nfs/dbraw/zinc/08/19/26/437081926.db2.gz ISDBKHZRONNRIX-UHFFFAOYSA-N 1 1 347.415 0.822 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@](C)(O)C3)CC2)cc1 ZINC000177975347 437202626 /nfs/dbraw/zinc/20/26/26/437202626.db2.gz SSRROWCMSYFSHL-GOSISDBHSA-N 1 1 333.432 0.801 20 10 ECCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N2CCN(C)CC2)c1 ZINC000756536268 579450942 /nfs/dbraw/zinc/45/09/42/579450942.db2.gz UGPRUCVQPQKYIL-CYBMUJFWSA-N 1 1 349.431 0.994 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]CC(=O)NCC(F)F)cc2)CC1 ZINC000795596368 578615521 /nfs/dbraw/zinc/61/55/21/578615521.db2.gz GEOYMTMUJLEXGW-UHFFFAOYSA-N 1 1 326.391 0.909 20 10 ECCDMO C[NH+]1CCN(c2ccc(CN3CC[C@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000785985136 578777883 /nfs/dbraw/zinc/77/78/83/578777883.db2.gz LTPWKTZESJUZGM-INIZCTEOSA-N 1 1 338.477 0.301 20 10 ECCDMO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000787325578 578805027 /nfs/dbraw/zinc/80/50/27/578805027.db2.gz OFHSWAMDWWPQSI-QGZVFWFLSA-N 1 1 344.459 0.923 20 10 ECCDMO COc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(O)c1 ZINC000792990165 578919321 /nfs/dbraw/zinc/91/93/21/578919321.db2.gz PPGQVEZJTIAKFU-ZDUSSCGKSA-N 1 1 336.436 0.836 20 10 ECCDMO COc1cccc(O)c1C[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000768234915 579123695 /nfs/dbraw/zinc/12/36/95/579123695.db2.gz RVMUDVHFQWRWCQ-UHFFFAOYSA-N 1 1 349.431 0.377 20 10 ECCDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768444429 579125606 /nfs/dbraw/zinc/12/56/06/579125606.db2.gz BFESQXARZRMTPJ-RISCZKNCSA-N 1 1 342.417 0.332 20 10 ECCDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768463309 579126384 /nfs/dbraw/zinc/12/63/84/579126384.db2.gz GRIYQGIBUSRYHE-BXUZGUMPSA-N 1 1 342.417 0.332 20 10 ECCDMO C[C@H]1CCC[N@H+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000773200258 579222703 /nfs/dbraw/zinc/22/27/03/579222703.db2.gz SMUCOVJSWOJLPI-NSHDSACASA-N 1 1 341.433 0.978 20 10 ECCDMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000841095772 588978217 /nfs/dbraw/zinc/97/82/17/588978217.db2.gz KUMKIQFSOGZYEW-LBPRGKRZSA-N 1 1 334.420 0.511 20 10 ECCDMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CC[N@H+]1CC(C)(C)O ZINC000841095772 588978219 /nfs/dbraw/zinc/97/82/19/588978219.db2.gz KUMKIQFSOGZYEW-LBPRGKRZSA-N 1 1 334.420 0.511 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)N(C)CC[NH3+])CC2)cc1 ZINC000841665562 588996988 /nfs/dbraw/zinc/99/69/88/588996988.db2.gz OQYBCSKRFYOESO-UHFFFAOYSA-N 1 1 349.479 0.807 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)NCC[NH3+])CC2)cc1 ZINC000841665474 588997123 /nfs/dbraw/zinc/99/71/23/588997123.db2.gz MQGTUEFERSQRAS-UHFFFAOYSA-N 1 1 335.452 0.465 20 10 ECCDMO CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)C[C@@H](O)CN2C)[NH+](C)C)cc1 ZINC000891245376 586088901 /nfs/dbraw/zinc/08/89/01/586088901.db2.gz DAUSSNKOHPWSSA-AOIWGVFYSA-N 1 1 348.491 0.927 20 10 ECCDMO COc1ccc(C[NH+]2CCN(CC(=O)N(C)C)CC2)c(O)c1OC ZINC000891505413 586172001 /nfs/dbraw/zinc/17/20/01/586172001.db2.gz LETBLYQGHWZZMV-UHFFFAOYSA-N 1 1 337.420 0.615 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)NC3CC[NH2+]CC3)cc2)CC1 ZINC000891962391 586209290 /nfs/dbraw/zinc/20/92/90/586209290.db2.gz RNADPLYJCAKMOC-UHFFFAOYSA-N 1 1 331.464 0.990 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@@H]3CO)CC2)cc1 ZINC000892429963 586266059 /nfs/dbraw/zinc/26/60/59/586266059.db2.gz WMXFXWKVUUFSKO-MRXNPFEDSA-N 1 1 348.447 0.593 20 10 ECCDMO C[N@H+]1CC[C@H](C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000899473760 586486171 /nfs/dbraw/zinc/48/61/71/586486171.db2.gz XBCIOBIKGFKPHO-INIZCTEOSA-N 1 1 344.459 0.956 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)CCC(N)=O)CC2)cc1 ZINC000906434095 586947505 /nfs/dbraw/zinc/94/75/05/586947505.db2.gz LCPPQEVTXSDXNE-UHFFFAOYSA-N 1 1 334.420 0.199 20 10 ECCDMO Nc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000906715850 586970001 /nfs/dbraw/zinc/97/00/01/586970001.db2.gz AFUONSADQVBMKX-LSDHHAIUSA-N 1 1 332.404 0.265 20 10 ECCDMO COc1ccc(N2CCN(C(=O)Cc3noc(C[NH3+])n3)CC2)cc1 ZINC000823048185 587699004 /nfs/dbraw/zinc/69/90/04/587699004.db2.gz QGRPCMOSHPHGQW-UHFFFAOYSA-N 1 1 331.376 0.428 20 10 ECCDMO CN(C)c1ccc(CNC(=O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000847041965 589233638 /nfs/dbraw/zinc/23/36/38/589233638.db2.gz DHIGTCPFSQGOAC-DLBZAZTESA-N 1 1 332.448 0.120 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC(=O)N(C)CC1)cc2=O ZINC000852577895 589502438 /nfs/dbraw/zinc/50/24/38/589502438.db2.gz LBBVCQASQXUDEL-UHFFFAOYSA-N 1 1 347.375 0.276 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC(=O)N(C)CC1)cc2=O ZINC000852577895 589502439 /nfs/dbraw/zinc/50/24/39/589502439.db2.gz LBBVCQASQXUDEL-UHFFFAOYSA-N 1 1 347.375 0.276 20 10 ECCDMO COc1ccc(O)c(CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000114596995 589674565 /nfs/dbraw/zinc/67/45/65/589674565.db2.gz CPAUZZQEUXBLCD-ZDUSSCGKSA-N 1 1 336.436 0.836 20 10 ECCDMO COc1ccc(N2CC[NH+](CCN3C(=O)CCC3=O)CC2)c(OC)c1 ZINC000879461273 590313368 /nfs/dbraw/zinc/31/33/68/590313368.db2.gz BPTMCOJVCCSWII-UHFFFAOYSA-N 1 1 347.415 0.975 20 10 ECCDMO Cn1ccn2c(CC[NH2+]Cc3cc(F)cc(F)c3O)nnc2c1=O ZINC000886282649 590825338 /nfs/dbraw/zinc/82/53/38/590825338.db2.gz QGWMJAMMOALXHZ-UHFFFAOYSA-N 1 1 335.314 0.744 20 10 ECCDMO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(N)=O)cc(OC)n1 ZINC001021311714 752770110 /nfs/dbraw/zinc/77/01/10/752770110.db2.gz NNCNVWKMRFVMCR-YHWZYXNKSA-N 1 1 348.403 0.309 20 10 ECCDMO COc1cc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc(OC)n1 ZINC000996369451 757476178 /nfs/dbraw/zinc/47/61/78/757476178.db2.gz XKKYTYAJXHSWJH-ZDUSSCGKSA-N 1 1 348.403 0.134 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)cc(OC)n1 ZINC001015104135 763889096 /nfs/dbraw/zinc/88/90/96/763889096.db2.gz QMAPTSDROCIOHN-CHWSQXEVSA-N 1 1 348.403 0.134 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCN(C)C3=O)C2)cc(OC)n1 ZINC001015104135 763889105 /nfs/dbraw/zinc/88/91/05/763889105.db2.gz QMAPTSDROCIOHN-CHWSQXEVSA-N 1 1 348.403 0.134 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]C[C@@H]2CCCN2C(C)=O)cc1 ZINC001044890748 774711303 /nfs/dbraw/zinc/71/13/03/774711303.db2.gz SWKSJZAYTXDDAA-AWEZNQCLSA-N 1 1 330.392 0.771 20 10 ECCDMO COc1ccc(N2CCN(C(=O)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000022778987 436119939 /nfs/dbraw/zinc/11/99/39/436119939.db2.gz ZQYHCVJRZVGTOR-UHFFFAOYSA-N 1 1 332.448 0.591 20 10 ECCDMO CN(C)c1ccc(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000043862394 436334963 /nfs/dbraw/zinc/33/49/63/436334963.db2.gz GVFBJVUYTPXSJW-UHFFFAOYSA-N 1 1 347.463 0.716 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)C3(C)COC3)CC2)cc1 ZINC000272770090 436719899 /nfs/dbraw/zinc/71/98/99/436719899.db2.gz BXBDOAAERIOKOL-UHFFFAOYSA-N 1 1 333.432 0.970 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)C3(O)CCC3)CC2)cc1 ZINC000274620410 436852228 /nfs/dbraw/zinc/85/22/28/436852228.db2.gz KMXVOHCBJHVKEV-UHFFFAOYSA-N 1 1 333.432 0.848 20 10 ECCDMO CN(C)c1ccc(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000264582408 437049231 /nfs/dbraw/zinc/04/92/31/437049231.db2.gz JVAZTGKYEMBYGT-MRXNPFEDSA-N 1 1 347.463 0.892 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCC(=O)N3)CC2)cc1 ZINC000299514027 437084497 /nfs/dbraw/zinc/08/44/97/437084497.db2.gz UXVAFEQSVZHCQN-INIZCTEOSA-N 1 1 346.431 0.212 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](CO)C1)cc2=O ZINC000267154106 437298321 /nfs/dbraw/zinc/29/83/21/437298321.db2.gz NPOKPYFIPBCSTJ-LLVKDONJSA-N 1 1 334.376 0.816 20 10 ECCDMO COc1c(O)c(C[NH2+]CCS(=O)(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000278844837 437348325 /nfs/dbraw/zinc/34/83/25/437348325.db2.gz KNRMQWPOCBLCMR-UHFFFAOYSA-N 1 1 347.393 0.726 20 10 ECCDMO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000372737232 438110080 /nfs/dbraw/zinc/11/00/80/438110080.db2.gz HSNGILHKEQQSLU-INIZCTEOSA-N 1 1 339.461 0.776 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)cc1 ZINC000368239215 438304186 /nfs/dbraw/zinc/30/41/86/438304186.db2.gz HTFDLIKMZBGCCZ-RDJZCZTQSA-N 1 1 344.459 0.779 20 10 ECCDMO CC[N@H+]1CCC[C@H]1CNC=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000028843131 521654053 /nfs/dbraw/zinc/65/40/53/521654053.db2.gz PKUNKZWARMNKKE-VWLVURMCSA-N 1 1 338.477 0.844 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@H](OC)C3)CC2)cc1 ZINC000754052191 579411875 /nfs/dbraw/zinc/41/18/75/579411875.db2.gz XMXUWSMLDLIXEN-MJGOQNOKSA-N 1 1 349.475 0.899 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)[C@@H]3CCOC3)CC2)cc1 ZINC000754028700 579411250 /nfs/dbraw/zinc/41/12/50/579411250.db2.gz BRRBOOXFTSJDDQ-QZTJIDSGSA-N 1 1 349.475 0.899 20 10 ECCDMO COc1ccc(N2CC[NH+](C[C@@H](O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000732408564 578325195 /nfs/dbraw/zinc/32/51/95/578325195.db2.gz OMNJNIWQCNFHCJ-OAHLLOKOSA-N 1 1 347.415 0.327 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)CCCO)CC2)cc1 ZINC000799363493 578663969 /nfs/dbraw/zinc/66/39/69/578663969.db2.gz FTHORTXSYPKARK-KRWDZBQOSA-N 1 1 337.464 0.492 20 10 ECCDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768462679 579126352 /nfs/dbraw/zinc/12/63/52/579126352.db2.gz BGZXWYGEWXZHRX-GFCCVEGCSA-N 1 1 344.433 0.923 20 10 ECCDMO COc1cc(O)c(C[N@@H+](C)CCN2CCCS2(=O)=O)cc1OC ZINC000768465760 579126394 /nfs/dbraw/zinc/12/63/94/579126394.db2.gz KRBKAHDCVXYUHR-UHFFFAOYSA-N 1 1 344.433 0.877 20 10 ECCDMO C[C@@H]1CCC[N@H+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000773200255 579222654 /nfs/dbraw/zinc/22/26/54/579222654.db2.gz SMUCOVJSWOJLPI-LLVKDONJSA-N 1 1 341.433 0.978 20 10 ECCDMO COc1c(O)c(C[NH2+]C[C@H]2CCCS2(=O)=O)ccc1[N+](=O)[O-] ZINC000775036337 579261750 /nfs/dbraw/zinc/26/17/50/579261750.db2.gz FDQLOURURVHPQR-SNVBAGLBSA-N 1 1 330.362 0.976 20 10 ECCDMO O=C1NC(=O)N2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]12 ZINC000761214711 579524412 /nfs/dbraw/zinc/52/44/12/579524412.db2.gz DBEIKWKVQXDVKF-HNNXBMFYSA-N 1 1 330.388 0.259 20 10 ECCDMO O=C1NC(=O)N2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]12 ZINC000761214711 579524413 /nfs/dbraw/zinc/52/44/13/579524413.db2.gz DBEIKWKVQXDVKF-HNNXBMFYSA-N 1 1 330.388 0.259 20 10 ECCDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842235157 589023624 /nfs/dbraw/zinc/02/36/24/589023624.db2.gz DQGRFMFBLWMFSW-OAHLLOKOSA-N 1 1 332.448 0.728 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C(=O)NCC(F)(F)C[NH3+])cc1 ZINC000842271194 589026063 /nfs/dbraw/zinc/02/60/63/589026063.db2.gz GYAJENNOTVADFU-UHFFFAOYSA-N 1 1 328.363 0.421 20 10 ECCDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895706215 586199939 /nfs/dbraw/zinc/19/99/39/586199939.db2.gz FLQPAJFHLZTWLM-KRWDZBQOSA-N 1 1 338.379 0.772 20 10 ECCDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000893436179 586331956 /nfs/dbraw/zinc/33/19/56/586331956.db2.gz HLMQVFHQALFSAN-GFCCVEGCSA-N 1 1 344.433 0.923 20 10 ECCDMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000897579691 586346765 /nfs/dbraw/zinc/34/67/65/586346765.db2.gz FATACMYRFIYYCF-CYBMUJFWSA-N 1 1 336.411 0.718 20 10 ECCDMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000897579691 586346767 /nfs/dbraw/zinc/34/67/67/586346767.db2.gz FATACMYRFIYYCF-CYBMUJFWSA-N 1 1 336.411 0.718 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@](O)(CO)C2)cc1 ZINC000839149944 586838253 /nfs/dbraw/zinc/83/82/53/586838253.db2.gz YKWLSBNTUNZMCE-GOSISDBHSA-N 1 1 335.448 0.530 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1 ZINC000839219779 586842597 /nfs/dbraw/zinc/84/25/97/586842597.db2.gz SJPMSZCYXGNTQL-DOTOQJQBSA-N 1 1 344.459 0.874 20 10 ECCDMO C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839590385 586881116 /nfs/dbraw/zinc/88/11/16/586881116.db2.gz UIMPHRZXCZJCGS-WMLDXEAASA-N 1 1 335.448 0.841 20 10 ECCDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839590385 586881118 /nfs/dbraw/zinc/88/11/18/586881118.db2.gz UIMPHRZXCZJCGS-WMLDXEAASA-N 1 1 335.448 0.841 20 10 ECCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC12COC2 ZINC000840098874 587130287 /nfs/dbraw/zinc/13/02/87/587130287.db2.gz FIVZCBLNVCMSQP-HIFRSBDPSA-N 1 1 349.383 0.830 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000817274914 587337722 /nfs/dbraw/zinc/33/77/22/587337722.db2.gz SJPUUWURPKNNSC-INIZCTEOSA-N 1 1 332.448 0.921 20 10 ECCDMO COc1cccc(O)c1C[N@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000827388336 588117794 /nfs/dbraw/zinc/11/77/94/588117794.db2.gz DHIUFEMYVGTANJ-GLQYFDAESA-N 1 1 327.402 0.645 20 10 ECCDMO COc1cccc(O)c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000827388336 588117795 /nfs/dbraw/zinc/11/77/95/588117795.db2.gz DHIUFEMYVGTANJ-GLQYFDAESA-N 1 1 327.402 0.645 20 10 ECCDMO Nc1nc(N)[nH+]c(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000858352533 589743244 /nfs/dbraw/zinc/74/32/44/589743244.db2.gz AWUVTLZCDBPIFQ-UHFFFAOYSA-N 1 1 329.408 0.857 20 10 ECCDMO O=S1(=O)C[C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@H]2C1 ZINC000872793603 590149640 /nfs/dbraw/zinc/14/96/40/590149640.db2.gz BJJDOOACBWCWHD-PWSUYJOCSA-N 1 1 325.386 0.987 20 10 ECCDMO O=S1(=O)C[C@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C[C@H]2C1 ZINC000872793603 590149642 /nfs/dbraw/zinc/14/96/42/590149642.db2.gz BJJDOOACBWCWHD-PWSUYJOCSA-N 1 1 325.386 0.987 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC=C[C@@H]3CO)CC2)cc1 ZINC000880483301 590395189 /nfs/dbraw/zinc/39/51/89/590395189.db2.gz FLPYZPHQOJELJJ-MRXNPFEDSA-N 1 1 331.416 0.577 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC=C[C@@H]3CO)CC2)cc1 ZINC000880483301 590395191 /nfs/dbraw/zinc/39/51/91/590395191.db2.gz FLPYZPHQOJELJJ-MRXNPFEDSA-N 1 1 331.416 0.577 20 10 ECCDMO O=C(C[N@H+]1CC=C[C@@H]1CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000880485431 590395714 /nfs/dbraw/zinc/39/57/14/590395714.db2.gz GVELRHREUOSMCE-OAHLLOKOSA-N 1 1 349.406 0.511 20 10 ECCDMO O=C(C[N@@H+]1CC=C[C@@H]1CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000880485431 590395717 /nfs/dbraw/zinc/39/57/17/590395717.db2.gz GVELRHREUOSMCE-OAHLLOKOSA-N 1 1 349.406 0.511 20 10 ECCDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(O)cc2O)C1 ZINC000910957696 609782927 /nfs/dbraw/zinc/78/29/27/609782927.db2.gz VNVULXBLOWIXFA-CYBMUJFWSA-N 1 1 336.388 0.989 20 10 ECCDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(O)cc2O)C1 ZINC000910957696 609782929 /nfs/dbraw/zinc/78/29/29/609782929.db2.gz VNVULXBLOWIXFA-CYBMUJFWSA-N 1 1 336.388 0.989 20 10 ECCDMO COc1ccc(N2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000154244187 609956754 /nfs/dbraw/zinc/95/67/54/609956754.db2.gz BRVKMJMNONVUTQ-UHFFFAOYSA-N 1 1 332.448 0.591 20 10 ECCDMO CN1CCN(C(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000183173324 610724347 /nfs/dbraw/zinc/72/43/47/610724347.db2.gz QLFZOTZIXKLHCD-UHFFFAOYSA-N 1 1 346.475 0.729 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000077168496 611990948 /nfs/dbraw/zinc/99/09/48/611990948.db2.gz VRBANVTUNJTURY-UHFFFAOYSA-N 1 1 332.448 0.956 20 10 ECCDMO CCNC(=O)CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000120555551 732392877 /nfs/dbraw/zinc/39/28/77/732392877.db2.gz CFMKKWZCLHIHCH-UHFFFAOYSA-N 1 1 346.475 0.777 20 10 ECCDMO C[C@H](C(N)=O)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000980511071 749659180 /nfs/dbraw/zinc/65/91/80/749659180.db2.gz NQXMZKXARXAMBI-ZWNOBZJWSA-N 1 1 346.391 0.869 20 10 ECCDMO C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340313 752435379 /nfs/dbraw/zinc/43/53/79/752435379.db2.gz NUZIZXAABGVHKF-ZWNOBZJWSA-N 1 1 346.391 0.917 20 10 ECCDMO C[C@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340313 752435382 /nfs/dbraw/zinc/43/53/82/752435382.db2.gz NUZIZXAABGVHKF-ZWNOBZJWSA-N 1 1 346.391 0.917 20 10 ECCDMO CNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028344529 752440498 /nfs/dbraw/zinc/44/04/98/752440498.db2.gz IVGXQTVXPAVMFR-ZDUSSCGKSA-N 1 1 346.391 0.789 20 10 ECCDMO CNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028344529 752440502 /nfs/dbraw/zinc/44/05/02/752440502.db2.gz IVGXQTVXPAVMFR-ZDUSSCGKSA-N 1 1 346.391 0.789 20 10 ECCDMO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)cc(OC)n1 ZINC001021311478 752770337 /nfs/dbraw/zinc/77/03/37/752770337.db2.gz FXJPJVTYLKLRSM-AGUYFDCRSA-N 1 1 335.404 0.816 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3COCCO3)CC2)cc1 ZINC000299511390 254588089 /nfs/dbraw/zinc/58/80/89/254588089.db2.gz SRJWYTMBFHBIPF-KRWDZBQOSA-N 1 1 349.431 0.349 20 10 ECCDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272365133 436712829 /nfs/dbraw/zinc/71/28/29/436712829.db2.gz CNAMWSKYJXRBOR-VUDGCMKMSA-N 1 1 333.388 0.567 20 10 ECCDMO COCC1(O)CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000270327508 436672861 /nfs/dbraw/zinc/67/28/61/436672861.db2.gz BBVWRQMNPBXQIQ-UHFFFAOYSA-N 1 1 335.448 0.842 20 10 ECCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000158902360 436851996 /nfs/dbraw/zinc/85/19/96/436851996.db2.gz YGWHYBBELSPNRB-CQSZACIVSA-N 1 1 326.466 0.758 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000172294437 437007537 /nfs/dbraw/zinc/00/75/37/437007537.db2.gz IYTGMOLMCRIYKM-KRWDZBQOSA-N 1 1 335.448 0.842 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000172294437 437007539 /nfs/dbraw/zinc/00/75/39/437007539.db2.gz IYTGMOLMCRIYKM-KRWDZBQOSA-N 1 1 335.448 0.842 20 10 ECCDMO CN(CCCNC(=O)C[N@@H+](C)Cc1ccccc1O)S(C)(=O)=O ZINC000264709390 437068806 /nfs/dbraw/zinc/06/88/06/437068806.db2.gz LTVWWRUPTUUCQQ-UHFFFAOYSA-N 1 1 343.449 0.222 20 10 ECCDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000278736380 437338150 /nfs/dbraw/zinc/33/81/50/437338150.db2.gz QZDMCJUOWOWAHG-OCCSQVGLSA-N 1 1 339.388 0.967 20 10 ECCDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000362621367 437747764 /nfs/dbraw/zinc/74/77/64/437747764.db2.gz JDZSDISENBSTAL-GFCCVEGCSA-N 1 1 344.433 0.923 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000372380677 438080618 /nfs/dbraw/zinc/08/06/18/438080618.db2.gz OZGVGBZDNRPLSC-INIZCTEOSA-N 1 1 328.420 0.907 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000372380677 438080622 /nfs/dbraw/zinc/08/06/22/438080622.db2.gz OZGVGBZDNRPLSC-INIZCTEOSA-N 1 1 328.420 0.907 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1 ZINC000377727577 438325374 /nfs/dbraw/zinc/32/53/74/438325374.db2.gz RVVKKPNSADLGSK-ZBFHGGJFSA-N 1 1 330.432 0.437 20 10 ECCDMO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]2N1 ZINC000377225408 438305757 /nfs/dbraw/zinc/30/57/57/438305757.db2.gz QJRSXXZNRWLUOZ-SJORKVTESA-N 1 1 331.416 0.613 20 10 ECCDMO CC[N@@H+](CCO)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000754027431 579411163 /nfs/dbraw/zinc/41/11/63/579411163.db2.gz KNFBWVSUKCWKLC-QGZVFWFLSA-N 1 1 337.464 0.492 20 10 ECCDMO Cn1cc(CN2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)cn1 ZINC000768450511 579125829 /nfs/dbraw/zinc/12/58/29/579125829.db2.gz JYOTTXHPMWEPNS-KRWDZBQOSA-N 1 1 344.415 0.869 20 10 ECCDMO C[C@H](O)C[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000761892631 579532968 /nfs/dbraw/zinc/53/29/68/579532968.db2.gz WWGXUNSEFHVYBI-JTQLQIEISA-N 1 1 336.348 0.429 20 10 ECCDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895126038 586165349 /nfs/dbraw/zinc/16/53/49/586165349.db2.gz UPVAKIPPWAQSIJ-RYUDHWBXSA-N 1 1 325.361 0.765 20 10 ECCDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843435564 589066696 /nfs/dbraw/zinc/06/66/96/589066696.db2.gz VWUSSKFGDPOLDE-NVXWUHKLSA-N 1 1 334.416 0.879 20 10 ECCDMO Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1 ZINC000906715846 586969953 /nfs/dbraw/zinc/96/99/53/586969953.db2.gz AFUONSADQVBMKX-HUUCEWRRSA-N 1 1 332.404 0.265 20 10 ECCDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CCN2C1=O ZINC000816520601 587315163 /nfs/dbraw/zinc/31/51/63/587315163.db2.gz SVGLSMQGXMBOHS-CQSZACIVSA-N 1 1 325.368 0.688 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCC(=O)N(C)C3=O)cc2)CC1 ZINC000818233702 587415350 /nfs/dbraw/zinc/41/53/50/587415350.db2.gz MQBFLLVBYSHPJM-INIZCTEOSA-N 1 1 330.432 0.675 20 10 ECCDMO COc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)c1O ZINC000827389182 588117694 /nfs/dbraw/zinc/11/76/94/588117694.db2.gz LNQQMBKRRFTTFL-YUTCNCBUSA-N 1 1 327.402 0.645 20 10 ECCDMO COc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)c1O ZINC000827389182 588117695 /nfs/dbraw/zinc/11/76/95/588117695.db2.gz LNQQMBKRRFTTFL-YUTCNCBUSA-N 1 1 327.402 0.645 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)NC/C=C/CO)CC2)cc1 ZINC000853543066 589547407 /nfs/dbraw/zinc/54/74/07/589547407.db2.gz ZLKSFACRQFDUNI-NSCUHMNNSA-N 1 1 348.447 0.665 20 10 ECCDMO CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CC[N@@H+](C)C1 ZINC000855360281 589627593 /nfs/dbraw/zinc/62/75/93/589627593.db2.gz JYKHNBIXSOIQHX-GFCCVEGCSA-N 1 1 341.433 0.930 20 10 ECCDMO COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000857758982 589703906 /nfs/dbraw/zinc/70/39/06/589703906.db2.gz VTLNOMBBGAYHLE-CQSZACIVSA-N 1 1 349.431 0.633 20 10 ECCDMO O=C(NCCCSc1nccs1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000875375101 590297398 /nfs/dbraw/zinc/29/73/98/590297398.db2.gz WKXMXDOWFBPOBB-LLVKDONJSA-N 1 1 330.479 0.991 20 10 ECCDMO O=S(=O)(CC[NH2+]Cc1cc(F)cc(F)c1O)N1CCOCC1 ZINC000882985803 590600513 /nfs/dbraw/zinc/60/05/13/590600513.db2.gz PSPWWGCGNUANGL-UHFFFAOYSA-N 1 1 336.360 0.422 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)C[C@]2(O)CCOC2)cc1 ZINC000930850916 611473870 /nfs/dbraw/zinc/47/38/70/611473870.db2.gz ZQWKQYBHAUIFHB-FUHWJXTLSA-N 1 1 338.448 0.966 20 10 ECCDMO CC1(C)CC[N@@H+](CCNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000911291126 609840019 /nfs/dbraw/zinc/84/00/19/609840019.db2.gz JXGRDCCTGVRRFF-UHFFFAOYSA-N 1 1 332.448 0.776 20 10 ECCDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000912709569 609991415 /nfs/dbraw/zinc/99/14/15/609991415.db2.gz PGKOQQMYUAHROV-IEBWSBKVSA-N 1 1 347.459 0.719 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000923290695 611225542 /nfs/dbraw/zinc/22/55/42/611225542.db2.gz NPLGXJZAPQYCMX-FUHWJXTLSA-N 1 1 348.491 0.472 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC000923365571 611233803 /nfs/dbraw/zinc/23/38/03/611233803.db2.gz GCJISRBWRBPVBL-HHXXYDBFSA-N 1 1 348.491 0.457 20 10 ECCDMO CCN(CC[NH3+])C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000923400414 611237843 /nfs/dbraw/zinc/23/78/43/611237843.db2.gz AKNIVQKFQBTURQ-QGZVFWFLSA-N 1 1 336.480 0.459 20 10 ECCDMO COCC[N@@H+](C)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000326718345 735445045 /nfs/dbraw/zinc/44/50/45/735445045.db2.gz CAZWTWGBHGGLNX-KRWDZBQOSA-N 1 1 337.464 0.756 20 10 ECCDMO C[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccccc1O ZINC000111235182 436630988 /nfs/dbraw/zinc/63/09/88/436630988.db2.gz LWGMALBDSFTDQZ-UHFFFAOYSA-N 1 1 331.416 0.905 20 10 ECCDMO CC(C)[NH+]1CC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000276552863 437126302 /nfs/dbraw/zinc/12/63/02/437126302.db2.gz GJGGBLUKZFEPIA-UHFFFAOYSA-N 1 1 327.406 0.586 20 10 ECCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCCN(S(N)(=O)=O)CC2)c1 ZINC000365002141 437842848 /nfs/dbraw/zinc/84/28/48/437842848.db2.gz XLISGZYOIYDYKK-LLVKDONJSA-N 1 1 329.422 0.673 20 10 ECCDMO CNC(=O)CN1CCC[N@@H+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000371423326 437932568 /nfs/dbraw/zinc/93/25/68/437932568.db2.gz JFKGEVCDODWCKS-UHFFFAOYSA-N 1 1 337.420 0.663 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](CC(N)=O)C2)cc1 ZINC000377608281 438313755 /nfs/dbraw/zinc/31/37/55/438313755.db2.gz RFSHRPMEDZLHHR-OAHLLOKOSA-N 1 1 332.448 0.908 20 10 ECCDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768462681 579126281 /nfs/dbraw/zinc/12/62/81/579126281.db2.gz BGZXWYGEWXZHRX-LBPRGKRZSA-N 1 1 344.433 0.923 20 10 ECCDMO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000771408345 579188914 /nfs/dbraw/zinc/18/89/14/579188914.db2.gz ULHMCTVMYJVJOX-GHMZBOCLSA-N 1 1 341.433 0.928 20 10 ECCDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000771408345 579188916 /nfs/dbraw/zinc/18/89/16/579188916.db2.gz ULHMCTVMYJVJOX-GHMZBOCLSA-N 1 1 341.433 0.928 20 10 ECCDMO C[C@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@H+]1C ZINC000743639203 579800234 /nfs/dbraw/zinc/80/02/34/579800234.db2.gz VVDMTJIEANANSL-QWRGUYRKSA-N 1 1 341.433 0.976 20 10 ECCDMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000897730813 586367268 /nfs/dbraw/zinc/36/72/68/586367268.db2.gz SRLLIWYQFIVYHO-LLVKDONJSA-N 1 1 342.490 0.952 20 10 ECCDMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000897730813 586367271 /nfs/dbraw/zinc/36/72/71/586367271.db2.gz SRLLIWYQFIVYHO-LLVKDONJSA-N 1 1 342.490 0.952 20 10 ECCDMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(O)c1OC ZINC000894583965 586402005 /nfs/dbraw/zinc/40/20/05/586402005.db2.gz DJHKXOQISBNXJP-GFCCVEGCSA-N 1 1 344.433 0.875 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)CC2)cc1 ZINC000899940093 586514139 /nfs/dbraw/zinc/51/41/39/586514139.db2.gz FYGLDWMJAGBXDP-MAUKXSAKSA-N 1 1 333.432 0.799 20 10 ECCDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900025386 586519405 /nfs/dbraw/zinc/51/94/05/586519405.db2.gz DUVCWPXHPRZXPS-HKUYNNGSSA-N 1 1 347.459 0.937 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@@H]3CC[C@H]3O)CC2)cc1 ZINC000824260691 587863708 /nfs/dbraw/zinc/86/37/08/587863708.db2.gz XKPHIJJSCNRLSW-IAGOWNOFSA-N 1 1 348.447 0.640 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@@H]4C[C@]4(O)C3)CC2)cc1 ZINC000880419851 590391512 /nfs/dbraw/zinc/39/15/12/590391512.db2.gz RADSYXGUDHNQFQ-IEZWGBDMSA-N 1 1 347.459 0.245 20 10 ECCDMO C[C@H]1C[N@H+](CC(N)=O)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945220223 610960850 /nfs/dbraw/zinc/96/08/50/610960850.db2.gz GOLBHVMOHIZSQD-GXFFZTMASA-N 1 1 346.391 0.775 20 10 ECCDMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945220223 610960852 /nfs/dbraw/zinc/96/08/52/610960852.db2.gz GOLBHVMOHIZSQD-GXFFZTMASA-N 1 1 346.391 0.775 20 10 ECCDMO COCC[N@@H+](C)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000326718346 735445010 /nfs/dbraw/zinc/44/50/10/735445010.db2.gz CAZWTWGBHGGLNX-QGZVFWFLSA-N 1 1 337.464 0.756 20 10 ECCDMO C[C@@H](C(N)=O)[N@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013812 743192882 /nfs/dbraw/zinc/19/28/82/743192882.db2.gz IHJDPWNDTBPRQN-QWRGUYRKSA-N 1 1 346.391 0.775 20 10 ECCDMO CNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032215707 759844011 /nfs/dbraw/zinc/84/40/11/759844011.db2.gz MNOGGWFCSDRVKH-SNVBAGLBSA-N 1 1 346.391 0.645 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@H]2CN(C(C)=O)C[C@@H]2C)cc1 ZINC001054304410 767911688 /nfs/dbraw/zinc/91/16/88/767911688.db2.gz ZEJBGVDZIZQSCN-NHYWBVRUSA-N 1 1 330.392 0.627 20 10 ECCDMO CNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863701 763263998 /nfs/dbraw/zinc/26/39/98/763263998.db2.gz GQZUHCPPLCGUQQ-INIZCTEOSA-N 1 1 346.391 0.789 20 10 ECCDMO CNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863701 763264007 /nfs/dbraw/zinc/26/40/07/763264007.db2.gz GQZUHCPPLCGUQQ-INIZCTEOSA-N 1 1 346.391 0.789 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)CC2)cc(OC)n1 ZINC001052528549 764697639 /nfs/dbraw/zinc/69/76/39/764697639.db2.gz NDACMSRUEJOWQN-GFCCVEGCSA-N 1 1 336.392 0.168 20 10 ECCDMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016366617 766191833 /nfs/dbraw/zinc/19/18/33/766191833.db2.gz DUGNSKFZXKEBIZ-STQMWFEESA-N 1 1 346.391 0.917 20 10 ECCDMO CC[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016366617 766191840 /nfs/dbraw/zinc/19/18/40/766191840.db2.gz DUGNSKFZXKEBIZ-STQMWFEESA-N 1 1 346.391 0.917 20 10 ECCDMO C[C@@H](O)C[NH+]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000189338442 437592470 /nfs/dbraw/zinc/59/24/70/437592470.db2.gz UROZBWKFHJNTML-MRXNPFEDSA-N 1 1 348.491 0.709 20 10 ECCDMO Cn1c2ncn(CC[N@@H+](C)Cc3ccccc3O)c2c(=O)n(C)c1=O ZINC000111235103 436630936 /nfs/dbraw/zinc/63/09/36/436630936.db2.gz AMBWVOGHOHAORE-UHFFFAOYSA-N 1 1 343.387 0.271 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)cc1OC ZINC000271105321 436678198 /nfs/dbraw/zinc/67/81/98/436678198.db2.gz RIQYNHIONHPJPP-LLVKDONJSA-N 1 1 330.406 0.533 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](O)CC1)cc2=O ZINC000293074632 436848336 /nfs/dbraw/zinc/84/83/36/436848336.db2.gz JEWQKLNLXLMPRR-LBPRGKRZSA-N 1 1 334.376 0.958 20 10 ECCDMO COCCOC[C@H](O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000296472164 436993299 /nfs/dbraw/zinc/99/32/99/436993299.db2.gz KBMNAZNQMHDXDP-GOSISDBHSA-N 1 1 338.448 0.979 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)C2(CO)CCOCC2)cc1 ZINC000298627281 437044952 /nfs/dbraw/zinc/04/49/52/437044952.db2.gz VLTBAQXUCKYSKV-UHFFFAOYSA-N 1 1 335.448 0.842 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC[C@H]1CO)cc2=O ZINC000298774209 437052660 /nfs/dbraw/zinc/05/26/60/437052660.db2.gz UYVXWUSXSMEKJS-LBPRGKRZSA-N 1 1 334.376 0.958 20 10 ECCDMO CN1C(=O)C(=CN[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)N(C)C1=O ZINC000299255805 437061642 /nfs/dbraw/zinc/06/16/42/437061642.db2.gz HIGQREKYSYRMGR-CQSZACIVSA-N 1 1 342.399 0.785 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cn[nH]c3)CC2)cc1 ZINC000299493856 437082169 /nfs/dbraw/zinc/08/21/69/437082169.db2.gz ISUWXQOHEWUNGQ-UHFFFAOYSA-N 1 1 329.404 0.970 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CCO)CCOC)cc2=O ZINC000265673310 437174243 /nfs/dbraw/zinc/17/42/43/437174243.db2.gz YGCRQRPAYXRZMC-UHFFFAOYSA-N 1 1 338.364 0.052 20 10 ECCDMO COc1c(O)c(C[NH2+]CCN2CCCS2(=O)=O)ccc1[N+](=O)[O-] ZINC000278619523 437328823 /nfs/dbraw/zinc/32/88/23/437328823.db2.gz FQAWNBDFGLBJTP-UHFFFAOYSA-N 1 1 345.377 0.434 20 10 ECCDMO O=C1NC(=O)[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]12 ZINC000366483687 438081831 /nfs/dbraw/zinc/08/18/31/438081831.db2.gz RCLCMOXQKINFRV-CVEARBPZSA-N 1 1 329.400 0.618 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H](O)C4(CC4)C3)CC2)cc1 ZINC000372293387 438066019 /nfs/dbraw/zinc/06/60/19/438066019.db2.gz DLZHWNGLHRFLLL-KRWDZBQOSA-N 1 1 345.443 0.801 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](O)C3(CC3)C1)cc2=O ZINC000375311630 438247618 /nfs/dbraw/zinc/24/76/18/438247618.db2.gz XIHOWAXDAMEKEM-LBPRGKRZSA-N 1 1 332.360 0.568 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](O)C3(CC3)C1)cc2=O ZINC000375311630 438247622 /nfs/dbraw/zinc/24/76/22/438247622.db2.gz XIHOWAXDAMEKEM-LBPRGKRZSA-N 1 1 332.360 0.568 20 10 ECCDMO C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)CC1 ZINC000376994581 438298506 /nfs/dbraw/zinc/29/85/06/438298506.db2.gz PUVLGWXQKZZLJZ-AWEZNQCLSA-N 1 1 332.448 0.887 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)[C@H]3CCOC3)CC2)cc1 ZINC000754028702 579411180 /nfs/dbraw/zinc/41/11/80/579411180.db2.gz BRRBOOXFTSJDDQ-ZWKOTPCHSA-N 1 1 349.475 0.899 20 10 ECCDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C[C@@H]21 ZINC000794972983 578602169 /nfs/dbraw/zinc/60/21/69/578602169.db2.gz NUOITCUAWQPQSD-QLPKVWCKSA-N 1 1 331.416 0.720 20 10 ECCDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CC(=O)NCc3ccc(N(C)C)cc3)C[C@@H]21 ZINC000794972983 578602170 /nfs/dbraw/zinc/60/21/70/578602170.db2.gz NUOITCUAWQPQSD-QLPKVWCKSA-N 1 1 331.416 0.720 20 10 ECCDMO COc1c(O)c(C[NH2+]CC2(C(N)=O)CCOCC2)ccc1[N+](=O)[O-] ZINC000774958830 579260090 /nfs/dbraw/zinc/26/00/90/579260090.db2.gz CSDBMBVNINMQBR-UHFFFAOYSA-N 1 1 339.348 0.681 20 10 ECCDMO COc1c(O)c(C[NH2+]CC(C)(C)NS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000775030305 579261578 /nfs/dbraw/zinc/26/15/78/579261578.db2.gz QMUOSHGZBBFKHU-UHFFFAOYSA-N 1 1 347.393 0.726 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](O)[C@@H](C)C1)cc2=O ZINC000778258368 579307387 /nfs/dbraw/zinc/30/73/87/579307387.db2.gz GYGWHIXOPNVEQM-GXFFZTMASA-N 1 1 334.376 0.814 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000779224098 579314426 /nfs/dbraw/zinc/31/44/26/579314426.db2.gz YMDULAZWHYWROT-ZWKOTPCHSA-N 1 1 349.475 0.635 20 10 ECCDMO COC(=O)[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)CC[N@@H+](C)C1 ZINC000840959090 588975821 /nfs/dbraw/zinc/97/58/21/588975821.db2.gz SVNJSFAVGVWMPY-ZDUSSCGKSA-N 1 1 338.404 0.946 20 10 ECCDMO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000840959090 588975824 /nfs/dbraw/zinc/97/58/24/588975824.db2.gz SVNJSFAVGVWMPY-ZDUSSCGKSA-N 1 1 338.404 0.946 20 10 ECCDMO COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000840959090 588975825 /nfs/dbraw/zinc/97/58/25/588975825.db2.gz SVNJSFAVGVWMPY-ZDUSSCGKSA-N 1 1 338.404 0.946 20 10 ECCDMO [NH3+]CC(F)(F)CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000841730477 588999418 /nfs/dbraw/zinc/99/94/18/588999418.db2.gz RUAZHLGUTZHMJW-UHFFFAOYSA-N 1 1 328.363 0.916 20 10 ECCDMO CN1CCCc2cc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])ccc21 ZINC000842149964 589014702 /nfs/dbraw/zinc/01/47/02/589014702.db2.gz IHFDKTDWPNBLRU-UHFFFAOYSA-N 1 1 340.374 0.395 20 10 ECCDMO CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839636001 586884751 /nfs/dbraw/zinc/88/47/51/586884751.db2.gz MVPRRZCMAFYCST-HNNXBMFYSA-N 1 1 332.448 0.779 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]C[C@@H](O)C[C@]3(O)CCOC3)cc2)CC1 ZINC000905427849 586893449 /nfs/dbraw/zinc/89/34/49/586893449.db2.gz OGPBVIDVEOECCH-RBUKOAKNSA-N 1 1 349.475 0.430 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]C[C@@H](O)C3(O)CCOCC3)cc2)CC1 ZINC000905426775 586893796 /nfs/dbraw/zinc/89/37/96/586893796.db2.gz JZWNBOLNALBYPU-GOSISDBHSA-N 1 1 349.475 0.430 20 10 ECCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]12 ZINC000824893154 587901522 /nfs/dbraw/zinc/90/15/22/587901522.db2.gz LXWNZLKQNOMFTQ-BETUJISGSA-N 1 1 333.363 0.367 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C[C@H](C)O)C1CC1)cc2=O ZINC000847092335 589235252 /nfs/dbraw/zinc/23/52/52/589235252.db2.gz DKFRHOJALJLMME-JTQLQIEISA-N 1 1 334.376 0.957 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)C2)cc1 ZINC000931887322 611582450 /nfs/dbraw/zinc/58/24/50/611582450.db2.gz UFBUWGQYFQQJEC-ZFWWWQNUSA-N 1 1 346.431 0.210 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC[N@H+]3C)C2)cc1 ZINC000931887322 611582452 /nfs/dbraw/zinc/58/24/52/611582452.db2.gz UFBUWGQYFQQJEC-ZFWWWQNUSA-N 1 1 346.431 0.210 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000923278218 611223629 /nfs/dbraw/zinc/22/36/29/611223629.db2.gz RAUIGHHFPLOOJT-WBVHZDCISA-N 1 1 334.464 0.211 20 10 ECCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000929526823 611762194 /nfs/dbraw/zinc/76/21/94/611762194.db2.gz XVSUJZRUMJVFJF-MRXNPFEDSA-N 1 1 332.448 0.969 20 10 ECCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C)cc1 ZINC000929526823 611762196 /nfs/dbraw/zinc/76/21/96/611762196.db2.gz XVSUJZRUMJVFJF-MRXNPFEDSA-N 1 1 332.448 0.969 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]C[C@@H]2CN(C(C)=O)CCO2)cc1 ZINC001051384432 761964155 /nfs/dbraw/zinc/96/41/55/761964155.db2.gz SDPDZEMVAXNBOT-OAHLLOKOSA-N 1 1 346.391 0.008 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)C3C[NH+](C)C3)CC2)cc1 ZINC001142600544 755807822 /nfs/dbraw/zinc/80/78/22/755807822.db2.gz ZWZYMDZTEVDMJL-UHFFFAOYSA-N 1 1 346.475 0.885 20 10 ECCDMO C[C@H](O)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001047644226 759391829 /nfs/dbraw/zinc/39/18/29/759391829.db2.gz DHOKXKFIINVJSJ-BPNCWPANSA-N 1 1 349.391 0.347 20 10 ECCDMO CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253605 782565479 /nfs/dbraw/zinc/56/54/79/782565479.db2.gz IWTIQNHZXFHQKZ-ZLKJLUDKSA-N 1 1 349.391 0.659 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)CC2)cc(OC)n1 ZINC001052528552 764697934 /nfs/dbraw/zinc/69/79/34/764697934.db2.gz NDACMSRUEJOWQN-LBPRGKRZSA-N 1 1 336.392 0.168 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@H]2CCN(C(=O)C3CC3)C2)cc1 ZINC001018390265 769273926 /nfs/dbraw/zinc/27/39/26/769273926.db2.gz KYTGDNPDNJXYOW-ZDUSSCGKSA-N 1 1 342.403 0.771 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)cc1 ZINC001073903995 787487411 /nfs/dbraw/zinc/48/74/11/787487411.db2.gz AGNAREGCBABPIQ-CQSZACIVSA-N 1 1 349.391 0.662 20 10 ECCDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1c(F)ccc(O)c1O ZINC000295295385 283321405 /nfs/dbraw/zinc/32/14/05/283321405.db2.gz QNWFKAOYYRRLIO-JTQLQIEISA-N 1 1 325.340 0.307 20 10 ECCDMO COc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c1O ZINC000074134224 436108103 /nfs/dbraw/zinc/10/81/03/436108103.db2.gz WDQNHJYPHDHWKL-ZDUSSCGKSA-N 1 1 336.436 0.836 20 10 ECCDMO O=C1NC[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CCN2C1=O ZINC000091865947 436462564 /nfs/dbraw/zinc/46/25/64/436462564.db2.gz WDJRWGQLWQXZCE-QGZVFWFLSA-N 1 1 342.443 0.820 20 10 ECCDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CCN2C1=O ZINC000091865947 436462571 /nfs/dbraw/zinc/46/25/71/436462571.db2.gz WDJRWGQLWQXZCE-QGZVFWFLSA-N 1 1 342.443 0.820 20 10 ECCDMO Cc1[nH+]ccn1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000052153992 436502542 /nfs/dbraw/zinc/50/25/42/436502542.db2.gz CYODBJLZBSMRAF-UHFFFAOYSA-N 1 1 338.389 0.699 20 10 ECCDMO COCCNC(=O)CN1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000271856675 436695649 /nfs/dbraw/zinc/69/56/49/436695649.db2.gz XOTWDYOTKKKROD-UHFFFAOYSA-N 1 1 337.420 0.281 20 10 ECCDMO COc1ccc(N2CC[NH+](CCCNS(N)(=O)=O)CC2)cc1 ZINC000119857388 436672240 /nfs/dbraw/zinc/67/22/40/436672240.db2.gz DRBBXIOSDKHEHJ-UHFFFAOYSA-N 1 1 328.438 0.000 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](CC)[C@H](O)C1)cc2=O ZINC000270872864 436675433 /nfs/dbraw/zinc/67/54/33/436675433.db2.gz JJXRNGXXUICVGG-ZWNOBZJWSA-N 1 1 334.376 0.814 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](O)[C@@H](CC)C1)cc2=O ZINC000270872855 436675670 /nfs/dbraw/zinc/67/56/70/436675670.db2.gz JJXRNGXXUICVGG-GXFFZTMASA-N 1 1 334.376 0.814 20 10 ECCDMO C[N@H+]1CCN(CCNC(=O)c2c(F)ccc(O)c2O)CC1(C)C ZINC000295586597 436973691 /nfs/dbraw/zinc/97/36/91/436973691.db2.gz ALOICDSNYRSVQJ-UHFFFAOYSA-N 1 1 325.384 0.993 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(O)(C(N)=O)CC2)cc1 ZINC000284390898 437053666 /nfs/dbraw/zinc/05/36/66/437053666.db2.gz VTLDCWXLWRGILU-UHFFFAOYSA-N 1 1 348.447 0.023 20 10 ECCDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)CC1 ZINC000364828934 437824585 /nfs/dbraw/zinc/82/45/85/437824585.db2.gz HRURUTKGCAMNGR-CYBMUJFWSA-N 1 1 347.415 0.724 20 10 ECCDMO C[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc3c(c2)CCN3C)CC1 ZINC000376994584 438298855 /nfs/dbraw/zinc/29/88/55/438298855.db2.gz PUVLGWXQKZZLJZ-CQSZACIVSA-N 1 1 332.448 0.887 20 10 ECCDMO CCOc1ccc(C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)c(O)c1 ZINC000529665130 439435565 /nfs/dbraw/zinc/43/55/65/439435565.db2.gz OWNGUBGQMFSHJV-UHFFFAOYSA-N 1 1 349.431 0.961 20 10 ECCDMO Cc1cc(C)c(O)c(C[NH+]2CCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000754726417 579422785 /nfs/dbraw/zinc/42/27/85/579422785.db2.gz OUIYGIRXJZZBKU-UHFFFAOYSA-N 1 1 327.450 0.933 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](CCO)C3CC3)CC2)cc1 ZINC000779218776 579314317 /nfs/dbraw/zinc/31/43/17/579314317.db2.gz HEPNKODJNIXQMX-GOSISDBHSA-N 1 1 349.475 0.635 20 10 ECCDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000760549428 579512475 /nfs/dbraw/zinc/51/24/75/579512475.db2.gz KOLPHQKBBPSEGL-DOMZBBRYSA-N 1 1 333.388 0.854 20 10 ECCDMO CN1C(=O)C(=CNNc2cccc(C(F)(F)F)[nH+]2)C(=O)N(C)C1=O ZINC000740168205 579731279 /nfs/dbraw/zinc/73/12/79/579731279.db2.gz SVZYLHTZAIMQAZ-UHFFFAOYSA-N 1 1 343.265 0.951 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])cc1F ZINC000842148406 589014347 /nfs/dbraw/zinc/01/43/47/589014347.db2.gz NFKUSNGQWNGVHV-UHFFFAOYSA-N 1 1 332.326 0.218 20 10 ECCDMO O=C1CNCCN1[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843063502 589048649 /nfs/dbraw/zinc/04/86/49/589048649.db2.gz BSJIXSBBEHTRSY-ZDUSSCGKSA-N 1 1 333.388 0.517 20 10 ECCDMO C[C@@H]1NC(=O)N(CC[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000838785926 586824536 /nfs/dbraw/zinc/82/45/36/586824536.db2.gz ZEJSYXNEHWGMOC-AWEZNQCLSA-N 1 1 346.431 0.895 20 10 ECCDMO Cn1ncc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000815117188 587282957 /nfs/dbraw/zinc/28/29/57/587282957.db2.gz NHIXNVBYJSIICP-AWEZNQCLSA-N 1 1 328.420 0.807 20 10 ECCDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000818971849 587462489 /nfs/dbraw/zinc/46/24/89/587462489.db2.gz RAMYYJPAUXXEOA-LBPRGKRZSA-N 1 1 341.433 0.930 20 10 ECCDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000818971849 587462490 /nfs/dbraw/zinc/46/24/90/587462490.db2.gz RAMYYJPAUXXEOA-LBPRGKRZSA-N 1 1 341.433 0.930 20 10 ECCDMO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC000819584071 587483158 /nfs/dbraw/zinc/48/31/58/587483158.db2.gz CWRGKTUZLDKULT-WMLDXEAASA-N 1 1 333.432 0.968 20 10 ECCDMO COc1ccc(N2CC[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC000819584071 587483160 /nfs/dbraw/zinc/48/31/60/587483160.db2.gz CWRGKTUZLDKULT-WMLDXEAASA-N 1 1 333.432 0.968 20 10 ECCDMO C[C@H]1C[N@H+](CCO)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000832783199 588505498 /nfs/dbraw/zinc/50/54/98/588505498.db2.gz OXDXYDONAAGART-INIZCTEOSA-N 1 1 348.491 0.709 20 10 ECCDMO C[C@H]1C[N@@H+](CCO)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000832783199 588505500 /nfs/dbraw/zinc/50/55/00/588505500.db2.gz OXDXYDONAAGART-INIZCTEOSA-N 1 1 348.491 0.709 20 10 ECCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000846185753 589190515 /nfs/dbraw/zinc/19/05/15/589190515.db2.gz DDBLUAWOJOAOQZ-PWSUYJOCSA-N 1 1 342.417 0.863 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000852315642 589490554 /nfs/dbraw/zinc/49/05/54/589490554.db2.gz VWDMGCVFTMLBLE-MRXNPFEDSA-N 1 1 342.447 0.982 20 10 ECCDMO O=C(CC[NH+]1CCOCC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210444 589657177 /nfs/dbraw/zinc/65/71/77/589657177.db2.gz BVUKSGLYRCWICD-UHFFFAOYSA-N 1 1 347.459 0.986 20 10 ECCDMO O=S1(=O)C[C@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CC[C@@H]2C1 ZINC000872793604 590149576 /nfs/dbraw/zinc/14/95/76/590149576.db2.gz BJJDOOACBWCWHD-ZYHUDNBSSA-N 1 1 325.386 0.987 20 10 ECCDMO O=S1(=O)C[C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CC[C@@H]2C1 ZINC000872793604 590149578 /nfs/dbraw/zinc/14/95/78/590149578.db2.gz BJJDOOACBWCWHD-ZYHUDNBSSA-N 1 1 325.386 0.987 20 10 ECCDMO O=C1COC[C@@]2(C[NH2+]Cc3cc(F)cc(F)c3O)COCCN12 ZINC000883198186 590609037 /nfs/dbraw/zinc/60/90/37/590609037.db2.gz BRHLZJPYSUAUDQ-OAHLLOKOSA-N 1 1 328.315 0.388 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)C2)cc1 ZINC000912291715 609944345 /nfs/dbraw/zinc/94/43/45/609944345.db2.gz BJHBNHFYAOJOQG-YEWWUXTCSA-N 1 1 333.432 0.845 20 10 ECCDMO Cc1nc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n[nH]1 ZINC000918846028 610020845 /nfs/dbraw/zinc/02/08/45/610020845.db2.gz PDULPHRIYFROFK-UHFFFAOYSA-N 1 1 328.420 0.724 20 10 ECCDMO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000922973009 611189118 /nfs/dbraw/zinc/18/91/18/611189118.db2.gz DUBMNQGGNGIFJZ-SFHVURJKSA-N 1 1 329.448 0.995 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN(C)C3C[NH2+]C3)CC2)cc1 ZINC000923357363 611232734 /nfs/dbraw/zinc/23/27/34/611232734.db2.gz YBJUFEUFRKYGPH-QGZVFWFLSA-N 1 1 334.464 0.082 20 10 ECCDMO C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1C[NH+]([C@@H](C)C(N)=O)C1 ZINC000970953105 734117907 /nfs/dbraw/zinc/11/79/07/734117907.db2.gz CFCZRRQGPKAOSD-UWVGGRQHSA-N 1 1 346.391 0.773 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)c3nnn(C)n3)CC2)nc(C)[nH+]1 ZINC001089854371 763206606 /nfs/dbraw/zinc/20/66/06/763206606.db2.gz SGUITBACRQACAI-UHFFFAOYSA-N 1 1 342.407 0.574 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCCNC3=O)C2)cc(OC)n1 ZINC001015100744 763879549 /nfs/dbraw/zinc/87/95/49/763879549.db2.gz DICMIMPIQDNRGO-CHWSQXEVSA-N 1 1 348.403 0.182 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCCNC3=O)C2)cc(OC)n1 ZINC001015100744 763879558 /nfs/dbraw/zinc/87/95/58/763879558.db2.gz DICMIMPIQDNRGO-CHWSQXEVSA-N 1 1 348.403 0.182 20 10 ECCDMO Cc1ccc(N2CC=C(CCNC(=O)[C@H]3C[N@H+](C)CCO3)CC2)nn1 ZINC001089823203 767339875 /nfs/dbraw/zinc/33/98/75/767339875.db2.gz ABUFFYPYCXKDFV-MRXNPFEDSA-N 1 1 345.447 0.758 20 10 ECCDMO Cc1ccc(N2CC=C(CCNC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)nn1 ZINC001089823203 767339881 /nfs/dbraw/zinc/33/98/81/767339881.db2.gz ABUFFYPYCXKDFV-MRXNPFEDSA-N 1 1 345.447 0.758 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3COCCO3)CC2)cc1 ZINC000299511393 254588056 /nfs/dbraw/zinc/58/80/56/254588056.db2.gz SRJWYTMBFHBIPF-QGZVFWFLSA-N 1 1 349.431 0.349 20 10 ECCDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cccc(O)c1O ZINC000274951527 289020370 /nfs/dbraw/zinc/02/03/70/289020370.db2.gz IIOMUFCCBRCHFH-CYBMUJFWSA-N 1 1 335.404 0.770 20 10 ECCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)N1CCNC1=O ZINC000070976664 435999012 /nfs/dbraw/zinc/99/90/12/435999012.db2.gz CDZUJAKOFNVKSS-CQSZACIVSA-N 1 1 333.388 0.925 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC[C@@H]1CO)cc2=O ZINC000298774203 437051021 /nfs/dbraw/zinc/05/10/21/437051021.db2.gz UYVXWUSXSMEKJS-GFCCVEGCSA-N 1 1 334.376 0.958 20 10 ECCDMO C[NH2+]CCC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000286166732 437089135 /nfs/dbraw/zinc/08/91/35/437089135.db2.gz QPXWXBNHPJPPTM-UHFFFAOYSA-N 1 1 334.464 0.933 20 10 ECCDMO COC(=O)CNC(=O)CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000265562135 437151456 /nfs/dbraw/zinc/15/14/56/437151456.db2.gz TZUWCBOWEDALCP-UHFFFAOYSA-N 1 1 349.431 0.634 20 10 ECCDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)nn1 ZINC000376926125 438297168 /nfs/dbraw/zinc/29/71/68/438297168.db2.gz HRPIWQKFLVAJDZ-NSHDSACASA-N 1 1 346.343 0.946 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000368972011 438404885 /nfs/dbraw/zinc/40/48/85/438404885.db2.gz DYTKBABNYARSEM-QILLFSRXSA-N 1 1 344.459 0.955 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000368972011 438404888 /nfs/dbraw/zinc/40/48/88/438404888.db2.gz DYTKBABNYARSEM-QILLFSRXSA-N 1 1 344.459 0.955 20 10 ECCDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000731058259 578310308 /nfs/dbraw/zinc/31/03/08/578310308.db2.gz UZMMAXDPERZBBS-LLVKDONJSA-N 1 1 341.433 0.835 20 10 ECCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000793938864 578567155 /nfs/dbraw/zinc/56/71/55/578567155.db2.gz VCPVWOLFAJNIIA-UHFFFAOYSA-N 1 1 332.448 0.888 20 10 ECCDMO Nc1ccc(CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000841955497 589006770 /nfs/dbraw/zinc/00/67/70/589006770.db2.gz FEONMCHCBVYSIW-INIZCTEOSA-N 1 1 345.447 0.417 20 10 ECCDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCc3ccc(N)cc3)CC[C@@H]21 ZINC000842237661 589023775 /nfs/dbraw/zinc/02/37/75/589023775.db2.gz XJOMJTQSMQZMOF-RDJZCZTQSA-N 1 1 344.459 0.870 20 10 ECCDMO CN(C)c1ccc([C@H](CNC(=O)CS(C)(=O)=O)[NH+](C)C)cc1 ZINC000891254799 586156851 /nfs/dbraw/zinc/15/68/51/586156851.db2.gz JVBYOPKOASXGAX-AWEZNQCLSA-N 1 1 327.450 0.516 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1OC ZINC000843065810 589049181 /nfs/dbraw/zinc/04/91/81/589049181.db2.gz QFPINNARFXRDPZ-CQSZACIVSA-N 1 1 349.431 0.806 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)CC2)cc1 ZINC000899940094 586514171 /nfs/dbraw/zinc/51/41/71/586514171.db2.gz FYGLDWMJAGBXDP-QAPCUYQASA-N 1 1 333.432 0.799 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]C[C@@H](O)Cn3cccn3)cc2)CC1 ZINC000905425665 586893038 /nfs/dbraw/zinc/89/30/38/586893038.db2.gz ACAXPIGRHRWRED-GOSISDBHSA-N 1 1 329.448 0.786 20 10 ECCDMO CN1CCN(C[C@@H](O)C[NH2+]Cc2ccc(N3CC=CC3)cc2)CC1 ZINC000819094820 587468277 /nfs/dbraw/zinc/46/82/77/587468277.db2.gz NGTLOHGSZBSOMC-IBGZPJMESA-N 1 1 330.476 0.761 20 10 ECCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000846185755 589190633 /nfs/dbraw/zinc/19/06/33/589190633.db2.gz DDBLUAWOJOAOQZ-ZYHUDNBSSA-N 1 1 342.417 0.863 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@]3(O)C[C@H]3C1)cc2=O ZINC000852539838 589500361 /nfs/dbraw/zinc/50/03/61/589500361.db2.gz WZETUHRGBADATQ-MGPLVRAMSA-N 1 1 332.360 0.568 20 10 ECCDMO NC(=O)[C@@H]1CCCN(c2ccc(CNc3nc(N)nc(N)[nH+]3)cc2)C1 ZINC000858357739 589743974 /nfs/dbraw/zinc/74/39/74/589743974.db2.gz VLVMGVRZNVTVNY-LLVKDONJSA-N 1 1 342.407 0.350 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H]3CC[C@@H](O)[C@@H]31)cc2=O ZINC000860130264 589747306 /nfs/dbraw/zinc/74/73/06/589747306.db2.gz UIAWDIOCTRQOCT-PSOPSSQASA-N 1 1 346.387 0.957 20 10 ECCDMO CC[N@@H+](CCC(N)=O)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000932482920 611633546 /nfs/dbraw/zinc/63/35/46/611633546.db2.gz ZOMGFDBEIIIZNG-UHFFFAOYSA-N 1 1 348.447 0.541 20 10 ECCDMO Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000927857940 611644474 /nfs/dbraw/zinc/64/44/74/611644474.db2.gz OBEJBMFNBZYPJL-KGLIPLIRSA-N 1 1 334.445 0.903 20 10 ECCDMO Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000927857940 611644476 /nfs/dbraw/zinc/64/44/76/611644476.db2.gz OBEJBMFNBZYPJL-KGLIPLIRSA-N 1 1 334.445 0.903 20 10 ECCDMO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]2N1 ZINC000835055865 611306762 /nfs/dbraw/zinc/30/67/62/611306762.db2.gz ATJKWSUVWVBBCQ-RDJZCZTQSA-N 1 1 349.406 0.752 20 10 ECCDMO O=C1CO[C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]2N1 ZINC000835055865 611306763 /nfs/dbraw/zinc/30/67/63/611306763.db2.gz ATJKWSUVWVBBCQ-RDJZCZTQSA-N 1 1 349.406 0.752 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)[C@@H](C)C2CC2)cc1 ZINC001125334279 733064301 /nfs/dbraw/zinc/06/43/01/733064301.db2.gz KACPWTKOVPMIBY-LBPRGKRZSA-N 1 1 344.419 0.923 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCO)C[C@@H]3C2)cc(OC)n1 ZINC000980141153 749052763 /nfs/dbraw/zinc/05/27/63/749052763.db2.gz MKSNORWZXZJJRQ-AEGPPILISA-N 1 1 349.431 0.921 20 10 ECCDMO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000053774379 436539088 /nfs/dbraw/zinc/53/90/88/436539088.db2.gz MNZVKBMSIKALMK-AWEZNQCLSA-N 1 1 349.431 0.885 20 10 ECCDMO COC(=O)CNC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000053774379 436539091 /nfs/dbraw/zinc/53/90/91/436539091.db2.gz MNZVKBMSIKALMK-AWEZNQCLSA-N 1 1 349.431 0.885 20 10 ECCDMO COc1ccc(N2CC[NH+](CCN3C(=O)N[C@H](C)C3=O)CC2)cc1 ZINC000272335847 436711836 /nfs/dbraw/zinc/71/18/36/436711836.db2.gz DHJMBXWITBNPQB-CYBMUJFWSA-N 1 1 332.404 0.758 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)N(C)CCO)CC2)cc1 ZINC000271072271 436677540 /nfs/dbraw/zinc/67/75/40/436677540.db2.gz OMIQJBLBFHBCFP-UHFFFAOYSA-N 1 1 336.436 0.451 20 10 ECCDMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000262217368 436916599 /nfs/dbraw/zinc/91/65/99/436916599.db2.gz ZDDMEGDVXUHJGG-UHFFFAOYSA-N 1 1 332.448 0.918 20 10 ECCDMO COc1ccc(N2CCC[N@@H+](CCCS(N)(=O)=O)CC2)cc1 ZINC000170913518 436961334 /nfs/dbraw/zinc/96/13/34/436961334.db2.gz GONYGGOTRAXLAG-UHFFFAOYSA-N 1 1 327.450 0.886 20 10 ECCDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000363118582 437769040 /nfs/dbraw/zinc/76/90/40/437769040.db2.gz ARUMSYMNGWLPPG-KRWDZBQOSA-N 1 1 333.432 0.860 20 10 ECCDMO CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000363118582 437769048 /nfs/dbraw/zinc/76/90/48/437769048.db2.gz ARUMSYMNGWLPPG-KRWDZBQOSA-N 1 1 333.432 0.860 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@@H](C)[C@H](O)C3)CC2)cc1 ZINC000754097199 579412912 /nfs/dbraw/zinc/41/29/12/579412912.db2.gz MHLFRDJVDLTCCV-HHXXYDBFSA-N 1 1 349.475 0.491 20 10 ECCDMO C[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@H+]1C ZINC000743639204 579800209 /nfs/dbraw/zinc/80/02/09/579800209.db2.gz VVDMTJIEANANSL-WDEREUQCSA-N 1 1 341.433 0.976 20 10 ECCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000842152340 589015011 /nfs/dbraw/zinc/01/50/11/589015011.db2.gz HFBBOTUMSNVGAJ-UHFFFAOYSA-N 1 1 328.363 0.387 20 10 ECCDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C[N@H+]1C1CC1 ZINC000842165805 589016135 /nfs/dbraw/zinc/01/61/35/589016135.db2.gz HUMHUTQFYWQXOF-DOMZBBRYSA-N 1 1 330.432 0.669 20 10 ECCDMO COc1ccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)c(O)c1OC ZINC000891554845 586176785 /nfs/dbraw/zinc/17/67/85/586176785.db2.gz BQNFJCCPICNGBO-UHFFFAOYSA-N 1 1 344.433 0.877 20 10 ECCDMO COc1ccc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)c(O)c1OC ZINC000891554845 586176787 /nfs/dbraw/zinc/17/67/87/586176787.db2.gz BQNFJCCPICNGBO-UHFFFAOYSA-N 1 1 344.433 0.877 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000892939088 586301894 /nfs/dbraw/zinc/30/18/94/586301894.db2.gz GOQJURGUVOACJB-AEFFLSMTSA-N 1 1 343.475 0.942 20 10 ECCDMO COC(=O)[C@H]1CN(Cc2ccc(OC)c(OC)c2O)CC[N@@H+](C)C1 ZINC000894896159 586418077 /nfs/dbraw/zinc/41/80/77/586418077.db2.gz JFXSQWJTOUMHOF-CYBMUJFWSA-N 1 1 338.404 0.946 20 10 ECCDMO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894896159 586418079 /nfs/dbraw/zinc/41/80/79/586418079.db2.gz JFXSQWJTOUMHOF-CYBMUJFWSA-N 1 1 338.404 0.946 20 10 ECCDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894896159 586418080 /nfs/dbraw/zinc/41/80/80/586418080.db2.gz JFXSQWJTOUMHOF-CYBMUJFWSA-N 1 1 338.404 0.946 20 10 ECCDMO C/C=C\[C@@H](O)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000900405668 586629986 /nfs/dbraw/zinc/62/99/86/586629986.db2.gz BZDPEVHBDKXZBX-CWIOURORSA-N 1 1 333.432 0.870 20 10 ECCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c1 ZINC000757637968 586893548 /nfs/dbraw/zinc/89/35/48/586893548.db2.gz JGFWLEMNPBHERH-JTQLQIEISA-N 1 1 332.360 0.983 20 10 ECCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)c2ccn[nH]2)c1 ZINC000757637969 586893743 /nfs/dbraw/zinc/89/37/43/586893743.db2.gz JGFWLEMNPBHERH-SNVBAGLBSA-N 1 1 332.360 0.983 20 10 ECCDMO Cc1cc(C[NH+]2CCN(CCS(N)(=O)=O)CC2)ccc1N(C)C ZINC000815071065 587282086 /nfs/dbraw/zinc/28/20/86/587282086.db2.gz MPZCTKNOADXUAI-UHFFFAOYSA-N 1 1 340.493 0.467 20 10 ECCDMO COc1ccc(N(C)CC[N@H+](C)CC(=O)N2CCNC(=O)C2)cc1 ZINC000844400014 589110388 /nfs/dbraw/zinc/11/03/88/589110388.db2.gz SJHFFGIPNJISLU-UHFFFAOYSA-N 1 1 334.420 0.022 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)N2CCNC(=O)C2)cc1 ZINC000844400014 589110390 /nfs/dbraw/zinc/11/03/90/589110390.db2.gz SJHFFGIPNJISLU-UHFFFAOYSA-N 1 1 334.420 0.022 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000875005674 590261948 /nfs/dbraw/zinc/26/19/48/590261948.db2.gz BIEXHMZLDBGFKH-RDJZCZTQSA-N 1 1 344.459 0.921 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(CO)(CO)CC2)cc1 ZINC000879970223 590356421 /nfs/dbraw/zinc/35/64/21/590356421.db2.gz ZUUCARSFXOYFHT-UHFFFAOYSA-N 1 1 335.448 0.436 20 10 ECCDMO O=C1NC(=O)N2CC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]12 ZINC000877167587 590442303 /nfs/dbraw/zinc/44/23/03/590442303.db2.gz CSQXFUJYRUHYDU-INIZCTEOSA-N 1 1 344.415 0.384 20 10 ECCDMO O=C1NC(=O)N2CC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]12 ZINC000877167587 590442304 /nfs/dbraw/zinc/44/23/04/590442304.db2.gz CSQXFUJYRUHYDU-INIZCTEOSA-N 1 1 344.415 0.384 20 10 ECCDMO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1c(O)cccc1F ZINC000886545369 590857580 /nfs/dbraw/zinc/85/75/80/590857580.db2.gz LOKIZSCMEMCCDD-NSHDSACASA-N 1 1 332.397 0.844 20 10 ECCDMO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000922492580 611352636 /nfs/dbraw/zinc/35/26/36/611352636.db2.gz YQBVUNFSSKNIBD-UHFFFAOYSA-N 1 1 332.447 0.769 20 10 ECCDMO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@H]3CO)CC2)cc1 ZINC000934015826 608788227 /nfs/dbraw/zinc/78/82/27/608788227.db2.gz GVQMONLZAHJOJN-DLBZAZTESA-N 1 1 335.448 0.245 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+](CCO)C3CC3)CC2)cc1 ZINC000917115633 609962056 /nfs/dbraw/zinc/96/20/56/609962056.db2.gz CRBCLYQGOWNNQK-UHFFFAOYSA-N 1 1 333.432 0.801 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@@H+](CCO)C3CC3)CC2)cc1 ZINC000917115633 609962057 /nfs/dbraw/zinc/96/20/57/609962057.db2.gz CRBCLYQGOWNNQK-UHFFFAOYSA-N 1 1 333.432 0.801 20 10 ECCDMO COc1cc(C(=O)NC2CC[NH+]([C@@H](C)C(N)=O)CC2)cc(OC)n1 ZINC001003244773 748338650 /nfs/dbraw/zinc/33/86/50/748338650.db2.gz HCWYLBWJXPINFA-JTQLQIEISA-N 1 1 336.392 0.167 20 10 ECCDMO C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340311 752435184 /nfs/dbraw/zinc/43/51/84/752435184.db2.gz NUZIZXAABGVHKF-GXFFZTMASA-N 1 1 346.391 0.917 20 10 ECCDMO C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340311 752435188 /nfs/dbraw/zinc/43/51/88/752435188.db2.gz NUZIZXAABGVHKF-GXFFZTMASA-N 1 1 346.391 0.917 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)cc(OC)n1 ZINC001015103383 763886594 /nfs/dbraw/zinc/88/65/94/763886594.db2.gz NZVWPACTMFVYFJ-TZMCWYRMSA-N 1 1 335.404 0.939 20 10 ECCDMO CC[N@@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCNC1=O ZINC001267257259 837082551 /nfs/dbraw/zinc/08/25/51/837082551.db2.gz TXMAGDHSYCPJDM-CYBMUJFWSA-N 1 1 346.391 0.789 20 10 ECCDMO COC(=O)/C=C/c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000071844757 277047485 /nfs/dbraw/zinc/04/74/85/277047485.db2.gz NATJDEFZZZYJEM-HWKANZROSA-N 1 1 335.360 0.895 20 10 ECCDMO COc1ccc(O)c(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000271766622 277422586 /nfs/dbraw/zinc/42/25/86/277422586.db2.gz DKKDXUGRADDUPH-UHFFFAOYSA-N 1 1 349.431 0.377 20 10 ECCDMO C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[N@@H+](C)C1CC1 ZINC000069533714 436778739 /nfs/dbraw/zinc/77/87/39/436778739.db2.gz IZJFYYQNBBREML-SNVBAGLBSA-N 1 1 341.433 0.976 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](C)[C@@H]1CO)cc2=O ZINC000276024291 437045894 /nfs/dbraw/zinc/04/58/94/437045894.db2.gz KWUSZQPNRCOVFB-MFKMUULPSA-N 1 1 334.376 0.814 20 10 ECCDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000284480184 437054911 /nfs/dbraw/zinc/05/49/11/437054911.db2.gz AXFFIHBZPQBHTI-KDOFPFPSSA-N 1 1 347.459 0.888 20 10 ECCDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]12 ZINC000366483689 438082038 /nfs/dbraw/zinc/08/20/38/438082038.db2.gz RCLCMOXQKINFRV-HZPDHXFCSA-N 1 1 329.400 0.618 20 10 ECCDMO C[C@H](CO)[N@H+]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000368963803 438406657 /nfs/dbraw/zinc/40/66/57/438406657.db2.gz LQJBXVAJTJPTOV-MRXNPFEDSA-N 1 1 348.491 0.757 20 10 ECCDMO COc1cccc(C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)c1O ZINC000529664141 439434708 /nfs/dbraw/zinc/43/47/08/439434708.db2.gz KQMALSIKTUFTMZ-UHFFFAOYSA-N 1 1 335.404 0.571 20 10 ECCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793588220 578931564 /nfs/dbraw/zinc/93/15/64/578931564.db2.gz LFFJWSAYFZIGNM-SMDDNHRTSA-N 1 1 342.417 0.284 20 10 ECCDMO CS(=O)(=O)N1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768441810 579125551 /nfs/dbraw/zinc/12/55/51/579125551.db2.gz NSDBHXSKXMYSDP-CQSZACIVSA-N 1 1 342.417 0.285 20 10 ECCDMO CS(=O)(=O)N1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768441810 579125552 /nfs/dbraw/zinc/12/55/52/579125552.db2.gz NSDBHXSKXMYSDP-CQSZACIVSA-N 1 1 342.417 0.285 20 10 ECCDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770160770 579161153 /nfs/dbraw/zinc/16/11/53/579161153.db2.gz CEVJALXEUAXDQE-WDEREUQCSA-N 1 1 341.433 0.928 20 10 ECCDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770160770 579161155 /nfs/dbraw/zinc/16/11/55/579161155.db2.gz CEVJALXEUAXDQE-WDEREUQCSA-N 1 1 341.433 0.928 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](O)[C@@H](C)C1)cc2=O ZINC000778258365 579307446 /nfs/dbraw/zinc/30/74/46/579307446.db2.gz GYGWHIXOPNVEQM-GWCFXTLKSA-N 1 1 334.376 0.814 20 10 ECCDMO C[C@@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@H+]1C ZINC000743639201 579800253 /nfs/dbraw/zinc/80/02/53/579800253.db2.gz VVDMTJIEANANSL-GHMZBOCLSA-N 1 1 341.433 0.976 20 10 ECCDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841112312 588978175 /nfs/dbraw/zinc/97/81/75/588978175.db2.gz JVKQHVQAIRYLPO-GFCCVEGCSA-N 1 1 334.420 0.511 20 10 ECCDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841112312 588978177 /nfs/dbraw/zinc/97/81/77/588978177.db2.gz JVKQHVQAIRYLPO-GFCCVEGCSA-N 1 1 334.420 0.511 20 10 ECCDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000842163520 589015929 /nfs/dbraw/zinc/01/59/29/589015929.db2.gz PDIYWBWYNFNZGI-HZPDHXFCSA-N 1 1 348.491 0.756 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000892543777 586272885 /nfs/dbraw/zinc/27/28/85/586272885.db2.gz BVYHLAVSVRCWDW-IYBDPMFKSA-N 1 1 331.464 0.975 20 10 ECCDMO C[N@H+]1CCC[C@](O)(CC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000900337142 586625598 /nfs/dbraw/zinc/62/55/98/586625598.db2.gz BRFMKDMZKFIXBM-IBGZPJMESA-N 1 1 347.459 0.986 20 10 ECCDMO CN(C)S(=O)(=O)NCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000839090677 586837230 /nfs/dbraw/zinc/83/72/30/586837230.db2.gz KLTHDXZGMMJWGV-UHFFFAOYSA-N 1 1 325.793 0.670 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]C[C@H](O)C[C@@]3(O)CCOC3)cc2)CC1 ZINC000905427847 586893647 /nfs/dbraw/zinc/89/36/47/586893647.db2.gz OGPBVIDVEOECCH-MOPGFXCFSA-N 1 1 349.475 0.430 20 10 ECCDMO COC(=O)[C@]1(OC)CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000859557219 589850814 /nfs/dbraw/zinc/85/08/14/589850814.db2.gz MUSDEUTVEQEJFS-SFHVURJKSA-N 1 1 349.431 0.633 20 10 ECCDMO COC(=O)[C@]1(OC)CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000859557219 589850815 /nfs/dbraw/zinc/85/08/15/589850815.db2.gz MUSDEUTVEQEJFS-SFHVURJKSA-N 1 1 349.431 0.633 20 10 ECCDMO CNS(=O)(=O)CCC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000865706271 590154837 /nfs/dbraw/zinc/15/48/37/590154837.db2.gz RAKZPJVNQCDRNL-UHFFFAOYSA-N 1 1 340.493 0.467 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC=C[C@H]3CO)CC2)cc1 ZINC000880489935 590396805 /nfs/dbraw/zinc/39/68/05/590396805.db2.gz ZFPJNJXJQYRHDO-ZWKOTPCHSA-N 1 1 347.459 0.411 20 10 ECCDMO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC=C[C@H]3CO)CC2)cc1 ZINC000880489935 590396807 /nfs/dbraw/zinc/39/68/07/590396807.db2.gz ZFPJNJXJQYRHDO-ZWKOTPCHSA-N 1 1 347.459 0.411 20 10 ECCDMO C[NH+]1CCN(c2ccc(CNC(=O)NCCN3CCC3)cc2)CC1 ZINC000889667053 591070159 /nfs/dbraw/zinc/07/01/59/591070159.db2.gz YBVWGFSKWUJMHT-UHFFFAOYSA-N 1 1 331.464 0.943 20 10 ECCDMO C[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)Cc1ccccc1O ZINC000171936920 609766152 /nfs/dbraw/zinc/76/61/52/609766152.db2.gz VDZZXTJNDWZJDB-UHFFFAOYSA-N 1 1 341.415 0.963 20 10 ECCDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842243524 611313176 /nfs/dbraw/zinc/31/31/76/611313176.db2.gz ZHQJNRKJUJHUFH-MRXNPFEDSA-N 1 1 332.448 0.726 20 10 ECCDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842243524 611313178 /nfs/dbraw/zinc/31/31/78/611313178.db2.gz ZHQJNRKJUJHUFH-MRXNPFEDSA-N 1 1 332.448 0.726 20 10 ECCDMO C/C=C(\C)C(=O)NCC[NH2+]Cc1nnnn1-c1ccc(OC)cc1 ZINC001125444154 734101008 /nfs/dbraw/zinc/10/10/08/734101008.db2.gz SFRVKHFBMSOQMJ-UUILKARUSA-N 1 1 330.392 0.843 20 10 ECCDMO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013796 743191318 /nfs/dbraw/zinc/19/13/18/743191318.db2.gz HTTMKLXTPJRDEI-LLVKDONJSA-N 1 1 346.391 0.647 20 10 ECCDMO C[NH+]1CCN(c2cc(NCCc3cc(O)c(O)cc3O)ncn2)CC1 ZINC001168006231 745612863 /nfs/dbraw/zinc/61/28/63/745612863.db2.gz JQVNTWQERVENJH-UHFFFAOYSA-N 1 1 345.403 1.000 20 10 ECCDMO NC(=O)C[N@H+]1CC=C(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001001482936 746422034 /nfs/dbraw/zinc/42/20/34/746422034.db2.gz CJQWOLLMGPZNDF-UHFFFAOYSA-N 1 1 344.375 0.696 20 10 ECCDMO NC(=O)C[N@@H+]1CC=C(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001001482936 746422037 /nfs/dbraw/zinc/42/20/37/746422037.db2.gz CJQWOLLMGPZNDF-UHFFFAOYSA-N 1 1 344.375 0.696 20 10 ECCDMO CNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001032215706 759843456 /nfs/dbraw/zinc/84/34/56/759843456.db2.gz MNOGGWFCSDRVKH-JTQLQIEISA-N 1 1 346.391 0.645 20 10 ECCDMO C[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862575 763263782 /nfs/dbraw/zinc/26/37/82/763263782.db2.gz MFOPZVYFABSJJR-QFYYESIMSA-N 1 1 346.391 0.917 20 10 ECCDMO C[C@@H](C(N)=O)[N@H+]1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862575 763263788 /nfs/dbraw/zinc/26/37/88/763263788.db2.gz MFOPZVYFABSJJR-QFYYESIMSA-N 1 1 346.391 0.917 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CCn3cncn3)C2)cc(OC)n1 ZINC001015101486 763881255 /nfs/dbraw/zinc/88/12/55/763881255.db2.gz GLDLALWKDTVVAR-CYBMUJFWSA-N 1 1 346.391 0.195 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)cc(OC)n1 ZINC001015103367 763886685 /nfs/dbraw/zinc/88/66/85/763886685.db2.gz NZVWPACTMFVYFJ-GXTWGEPZSA-N 1 1 335.404 0.939 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)cc(OC)n1 ZINC001015103372 763887104 /nfs/dbraw/zinc/88/71/04/763887104.db2.gz NZVWPACTMFVYFJ-JSGCOSHPSA-N 1 1 335.404 0.939 20 10 ECCDMO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ncccn3)C2)cc(OC)n1 ZINC001020352510 772483588 /nfs/dbraw/zinc/48/35/88/772483588.db2.gz SXCZCVPJCBIPBE-JOCQHMNTSA-N 1 1 343.387 0.939 20 10 ECCDMO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000111264445 436630835 /nfs/dbraw/zinc/63/08/35/436630835.db2.gz COOOMEZGOCBQKN-HNNXBMFYSA-N 1 1 332.448 0.827 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCc3n[nH]cc3C1)cc2=O ZINC000118854612 436664085 /nfs/dbraw/zinc/66/40/85/436664085.db2.gz PKLSFBANNLRNSA-UHFFFAOYSA-N 1 1 342.359 0.893 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCc3n[nH]cc3C1)cc2=O ZINC000118854612 436664088 /nfs/dbraw/zinc/66/40/88/436664088.db2.gz PKLSFBANNLRNSA-UHFFFAOYSA-N 1 1 342.359 0.893 20 10 ECCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCOCCS(C)(=O)=O)c1 ZINC000273542958 436764803 /nfs/dbraw/zinc/76/48/03/436764803.db2.gz YSYUFHKMNGEMLU-NSHDSACASA-N 1 1 345.417 0.891 20 10 ECCDMO CN(C)c1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1F ZINC000264880957 437101734 /nfs/dbraw/zinc/10/17/34/437101734.db2.gz SUYNZVLIMXDGPH-AWEZNQCLSA-N 1 1 337.443 0.937 20 10 ECCDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cccc(O)c2O)CC1 ZINC000364817442 437823378 /nfs/dbraw/zinc/82/33/78/437823378.db2.gz XHFWJCVCSOYDIK-CYBMUJFWSA-N 1 1 333.388 0.476 20 10 ECCDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc(OC)c(OC)cc3O)CCN2C1=O ZINC000378443209 438387222 /nfs/dbraw/zinc/38/72/22/438387222.db2.gz RAOZZOLNOAMQKF-LBPRGKRZSA-N 1 1 349.387 0.878 20 10 ECCDMO Cn1ccnc1CN1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768449203 579125777 /nfs/dbraw/zinc/12/57/77/579125777.db2.gz FGFLJWGHOFENNM-MRXNPFEDSA-N 1 1 344.415 0.869 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1CCO)cc2=O ZINC000778270775 579307537 /nfs/dbraw/zinc/30/75/37/579307537.db2.gz UHAGLTBPMZBXJP-GFCCVEGCSA-N 1 1 334.376 0.958 20 10 ECCDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779511597 579316519 /nfs/dbraw/zinc/31/65/19/579316519.db2.gz RZJKYOPGTLFFCK-DYLGSBMWSA-N 1 1 347.415 0.815 20 10 ECCDMO CCN(CC)c1ccc(CNC(=O)C(=O)NCC(F)(F)C[NH3+])cc1 ZINC000842206070 589020879 /nfs/dbraw/zinc/02/08/79/589020879.db2.gz AYYXXSWHFKAVJN-UHFFFAOYSA-N 1 1 342.390 0.859 20 10 ECCDMO CN(C)c1ccc([C@@H](CNC(=O)C2CS(=O)(=O)C2)[NH+](C)C)cc1 ZINC000891245952 586089022 /nfs/dbraw/zinc/08/90/22/586089022.db2.gz KOIXXMCFWAGKJA-OAHLLOKOSA-N 1 1 339.461 0.516 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)N3CC[C@H]3CO)CC2)cc1 ZINC000892429962 586266011 /nfs/dbraw/zinc/26/60/11/586266011.db2.gz WMXFXWKVUUFSKO-INIZCTEOSA-N 1 1 348.447 0.593 20 10 ECCDMO COc1cc(C)cc(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)c1O ZINC000897275574 586292408 /nfs/dbraw/zinc/29/24/08/586292408.db2.gz ORVXHBOKKRUSRA-GFCCVEGCSA-N 1 1 327.406 0.043 20 10 ECCDMO CCOc1ccc(O)c(C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)c1 ZINC000897285569 586294346 /nfs/dbraw/zinc/29/43/46/586294346.db2.gz YODIBSIKXZGPTE-GFCCVEGCSA-N 1 1 327.406 0.125 20 10 ECCDMO CCOc1ccc(O)c(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)c1 ZINC000897285569 586294348 /nfs/dbraw/zinc/29/43/48/586294348.db2.gz YODIBSIKXZGPTE-GFCCVEGCSA-N 1 1 327.406 0.125 20 10 ECCDMO CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000897582992 586346954 /nfs/dbraw/zinc/34/69/54/586346954.db2.gz GHFKGJZQNQCIOY-INIZCTEOSA-N 1 1 344.459 0.896 20 10 ECCDMO CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000897582992 586346957 /nfs/dbraw/zinc/34/69/57/586346957.db2.gz GHFKGJZQNQCIOY-INIZCTEOSA-N 1 1 344.459 0.896 20 10 ECCDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000900337349 586625583 /nfs/dbraw/zinc/62/55/83/586625583.db2.gz GVZWDFLVDUQLLA-SJLPKXTDSA-N 1 1 333.432 0.595 20 10 ECCDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839480726 586858453 /nfs/dbraw/zinc/85/84/53/586858453.db2.gz LZLMOOLRJLFMSE-UKRRQHHQSA-N 1 1 332.448 0.955 20 10 ECCDMO CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)ccc21 ZINC000803687981 587067179 /nfs/dbraw/zinc/06/71/79/587067179.db2.gz JEWNLITVLYJTHS-INIZCTEOSA-N 1 1 344.459 0.896 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](O)C1(C)C)cc2=O ZINC000812864700 587244021 /nfs/dbraw/zinc/24/40/21/587244021.db2.gz IITCJAWUMVLIJJ-LBPRGKRZSA-N 1 1 334.376 0.957 20 10 ECCDMO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CSC[NH2+]3)cc2)C1 ZINC000844174939 589099041 /nfs/dbraw/zinc/09/90/41/589099041.db2.gz FBHXWGNCQRRIRU-HIFRSBDPSA-N 1 1 348.472 0.667 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H]3CC(=O)N3)CC2)cc1 ZINC000824285215 587865654 /nfs/dbraw/zinc/86/56/54/587865654.db2.gz BKXSBDYYXDDFGS-CQSZACIVSA-N 1 1 346.431 0.212 20 10 ECCDMO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850359528 589364869 /nfs/dbraw/zinc/36/48/69/589364869.db2.gz KCQJOLCDBVMCJW-HZPDHXFCSA-N 1 1 340.445 0.425 20 10 ECCDMO COc1cccc(O)c1C[N@H+]1CCCN(C(=O)CNC(C)=O)CC1 ZINC000862503998 589942546 /nfs/dbraw/zinc/94/25/46/589942546.db2.gz NSNJYDAAABAJBW-UHFFFAOYSA-N 1 1 335.404 0.571 20 10 ECCDMO COC(=O)/C=C\c1ccc(N2CC[N@H+](C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000872605723 590132138 /nfs/dbraw/zinc/13/21/38/590132138.db2.gz JPMBHGRWMUFLCA-RYWCDNDXSA-N 1 1 335.360 0.894 20 10 ECCDMO COC(=O)/C=C\c1ccc(N2CC[N@@H+](C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000872605723 590132141 /nfs/dbraw/zinc/13/21/41/590132141.db2.gz JPMBHGRWMUFLCA-RYWCDNDXSA-N 1 1 335.360 0.894 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC=C[C@@H]3CO)CC2)cc1 ZINC000880489933 590396865 /nfs/dbraw/zinc/39/68/65/590396865.db2.gz ZFPJNJXJQYRHDO-QZTJIDSGSA-N 1 1 347.459 0.411 20 10 ECCDMO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC=C[C@@H]3CO)CC2)cc1 ZINC000880489933 590396868 /nfs/dbraw/zinc/39/68/68/590396868.db2.gz ZFPJNJXJQYRHDO-QZTJIDSGSA-N 1 1 347.459 0.411 20 10 ECCDMO O=C1NC[C@@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)CCN12 ZINC000876799753 590416404 /nfs/dbraw/zinc/41/64/04/590416404.db2.gz KRZMOHIDHIYBCZ-MRXNPFEDSA-N 1 1 330.432 0.857 20 10 ECCDMO O[C@@H]1CC[N@H+](C2CN(Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877612348 590474002 /nfs/dbraw/zinc/47/40/02/590474002.db2.gz OFBSAOOWTDHBHN-LJQANCHMSA-N 1 1 331.460 0.899 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)[C@@H](C)C2)cc(OC)n1 ZINC000947496415 611566083 /nfs/dbraw/zinc/56/60/83/611566083.db2.gz AQDIKZYAKSUKHP-CMPLNLGQSA-N 1 1 336.392 0.167 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)[C@@H](C)C2)cc(OC)n1 ZINC000947496415 611566084 /nfs/dbraw/zinc/56/60/84/611566084.db2.gz AQDIKZYAKSUKHP-CMPLNLGQSA-N 1 1 336.392 0.167 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H](C)C2)cc(OC)n1 ZINC000947496416 608813268 /nfs/dbraw/zinc/81/32/68/608813268.db2.gz AQDIKZYAKSUKHP-JQWIXIFHSA-N 1 1 336.392 0.167 20 10 ECCDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H](C)C2)cc(OC)n1 ZINC000947496416 608813271 /nfs/dbraw/zinc/81/32/71/608813271.db2.gz AQDIKZYAKSUKHP-JQWIXIFHSA-N 1 1 336.392 0.167 20 10 ECCDMO NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000932944051 611689687 /nfs/dbraw/zinc/68/96/87/611689687.db2.gz BNCZSVRSKRRNGR-OAHLLOKOSA-N 1 1 339.461 0.634 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C2)cc1 ZINC000912291711 609944054 /nfs/dbraw/zinc/94/40/54/609944054.db2.gz BJHBNHFYAOJOQG-JCKWVBRZSA-N 1 1 333.432 0.845 20 10 ECCDMO CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918829663 610019805 /nfs/dbraw/zinc/01/98/05/610019805.db2.gz DWNYJPAJTHECTH-MJGOQNOKSA-N 1 1 346.475 0.510 20 10 ECCDMO O=C1COc2cc([N+](=O)[O-])c(N3CCN(c4[nH]cc[nH+]4)CC3)cc2N1 ZINC000811839747 611282790 /nfs/dbraw/zinc/28/27/90/611282790.db2.gz DXDDALPSYZROQB-UHFFFAOYSA-N 1 1 344.331 0.975 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@](C)(C(N)=O)C2)cc1 ZINC000280521692 436902099 /nfs/dbraw/zinc/90/20/99/436902099.db2.gz DXTAJCQOJYOALZ-SFHVURJKSA-N 1 1 332.448 0.908 20 10 ECCDMO CC[N@@H+](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1 ZINC000263662091 436974397 /nfs/dbraw/zinc/97/43/97/436974397.db2.gz BBXFBBSFWXJHBB-UHFFFAOYSA-N 1 1 341.433 0.978 20 10 ECCDMO CN1C(=O)C(=CN[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)N(C)C1=O ZINC000299255802 437062445 /nfs/dbraw/zinc/06/24/45/437062445.db2.gz HIGQREKYSYRMGR-AWEZNQCLSA-N 1 1 342.399 0.785 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000375906530 438267524 /nfs/dbraw/zinc/26/75/24/438267524.db2.gz STOCMYXPLPFIHR-GOSISDBHSA-N 1 1 330.432 0.581 20 10 ECCDMO CNC(=O)CN1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000378349056 438378907 /nfs/dbraw/zinc/37/89/07/438378907.db2.gz INCGBWVIUZVIGF-UHFFFAOYSA-N 1 1 346.475 0.777 20 10 ECCDMO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000529666271 439436398 /nfs/dbraw/zinc/43/63/98/439436398.db2.gz VCYKTDISYCNKQY-UHFFFAOYSA-N 1 1 349.387 0.291 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)[C@H]3CCOC3)CC2)cc1 ZINC000754028701 579411134 /nfs/dbraw/zinc/41/11/34/579411134.db2.gz BRRBOOXFTSJDDQ-ROUUACIJSA-N 1 1 349.475 0.899 20 10 ECCDMO CNS(=O)(=O)CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000729266885 578294714 /nfs/dbraw/zinc/29/47/14/578294714.db2.gz SCWBKMLFDWHIOL-UHFFFAOYSA-N 1 1 327.450 0.757 20 10 ECCDMO C[N@H+]1CC[C@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000729526176 578296700 /nfs/dbraw/zinc/29/67/00/578296700.db2.gz ZBFQDABQZKEXIO-HOTGVXAUSA-N 1 1 344.459 0.956 20 10 ECCDMO C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000785432687 578769000 /nfs/dbraw/zinc/76/90/00/578769000.db2.gz HJYVSYJUSVQILT-XJKSGUPXSA-N 1 1 348.447 0.204 20 10 ECCDMO C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000785432687 578769001 /nfs/dbraw/zinc/76/90/01/578769001.db2.gz HJYVSYJUSVQILT-XJKSGUPXSA-N 1 1 348.447 0.204 20 10 ECCDMO COC(=O)[C@H]1CN(Cc2cc(OC)c(OC)cc2O)CC[N@@H+](C)C1 ZINC000840959087 588975741 /nfs/dbraw/zinc/97/57/41/588975741.db2.gz SVNJSFAVGVWMPY-CYBMUJFWSA-N 1 1 338.404 0.946 20 10 ECCDMO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000840959087 588975742 /nfs/dbraw/zinc/97/57/42/588975742.db2.gz SVNJSFAVGVWMPY-CYBMUJFWSA-N 1 1 338.404 0.946 20 10 ECCDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000840959087 588975743 /nfs/dbraw/zinc/97/57/43/588975743.db2.gz SVNJSFAVGVWMPY-CYBMUJFWSA-N 1 1 338.404 0.946 20 10 ECCDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000841892637 589004695 /nfs/dbraw/zinc/00/46/95/589004695.db2.gz PCGXIMICCXHKGJ-NSHDSACASA-N 1 1 336.344 0.375 20 10 ECCDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000841892637 589004697 /nfs/dbraw/zinc/00/46/97/589004697.db2.gz PCGXIMICCXHKGJ-NSHDSACASA-N 1 1 336.344 0.375 20 10 ECCDMO COc1ccc(C[NH+]2CCN(c3nccnn3)CC2)c(O)c1OC ZINC000895551605 586187888 /nfs/dbraw/zinc/18/78/88/586187888.db2.gz UYPGKMPFHBERFT-UHFFFAOYSA-N 1 1 331.376 0.917 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000892190244 586228814 /nfs/dbraw/zinc/22/88/14/586228814.db2.gz XAMKKALXFINHFH-QGZVFWFLSA-N 1 1 347.463 0.226 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000892564681 586273804 /nfs/dbraw/zinc/27/38/04/586273804.db2.gz BVYHLAVSVRCWDW-WKILWMFISA-N 1 1 331.464 0.975 20 10 ECCDMO CCN1CCN(CC(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000844162996 589097105 /nfs/dbraw/zinc/09/71/05/589097105.db2.gz QVOLACWYRGFORV-QGZVFWFLSA-N 1 1 333.480 0.506 20 10 ECCDMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)Cc2ccccc2O)CC1 ZINC000109773523 589396125 /nfs/dbraw/zinc/39/61/25/589396125.db2.gz MBLJOGWSKDLKBO-UHFFFAOYSA-N 1 1 348.447 0.056 20 10 ECCDMO C[NH+]1CCN(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000856211411 589657026 /nfs/dbraw/zinc/65/70/26/589657026.db2.gz OWFPCKYALJSSFK-UHFFFAOYSA-N 1 1 346.475 0.511 20 10 ECCDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000856211113 589657123 /nfs/dbraw/zinc/65/71/23/589657123.db2.gz GIDVXCXMKCMOIG-GOSISDBHSA-N 1 1 347.459 0.985 20 10 ECCDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000856211113 589657124 /nfs/dbraw/zinc/65/71/24/589657124.db2.gz GIDVXCXMKCMOIG-GOSISDBHSA-N 1 1 347.459 0.985 20 10 ECCDMO CNC(=O)C[NH+]1CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000875085000 590269380 /nfs/dbraw/zinc/26/93/80/590269380.db2.gz REKNUMRJGDDLKL-UHFFFAOYSA-N 1 1 332.404 0.628 20 10 ECCDMO C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1c(O)cccc1F ZINC000886523185 590856634 /nfs/dbraw/zinc/85/66/34/590856634.db2.gz YIABMJVXOJUAEJ-LBPRGKRZSA-N 1 1 345.440 0.759 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)[C@H](C)C2)cc(OC)n1 ZINC000947496418 608813061 /nfs/dbraw/zinc/81/30/61/608813061.db2.gz AQDIKZYAKSUKHP-ZYHUDNBSSA-N 1 1 336.392 0.167 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)[C@H](C)C2)cc(OC)n1 ZINC000947496418 608813063 /nfs/dbraw/zinc/81/30/63/608813063.db2.gz AQDIKZYAKSUKHP-ZYHUDNBSSA-N 1 1 336.392 0.167 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CNCC3([NH3+])CCC3)CC2)cc1 ZINC000923330346 611229053 /nfs/dbraw/zinc/22/90/53/611229053.db2.gz CPOJQGRGPUQKOU-QGZVFWFLSA-N 1 1 348.491 0.649 20 10 ECCDMO CC(C)C[NH+]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000842242367 611312999 /nfs/dbraw/zinc/31/29/99/611312999.db2.gz RKDGZDYXQBIQBX-UHFFFAOYSA-N 1 1 332.448 0.728 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@H]2CCN(C(C)=O)[C@H]2C)cc1 ZINC000985860710 749226393 /nfs/dbraw/zinc/22/63/93/749226393.db2.gz QBPOZYDNADVHTL-NHYWBVRUSA-N 1 1 330.392 0.770 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@H]2CCN(C(C)=O)[C@@H]2C)cc1 ZINC000985860706 749226650 /nfs/dbraw/zinc/22/66/50/749226650.db2.gz QBPOZYDNADVHTL-ABAIWWIYSA-N 1 1 330.392 0.770 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+][C@H]2C[C@H](C)N(C(C)=O)C2)cc1 ZINC000987649936 751054277 /nfs/dbraw/zinc/05/42/77/751054277.db2.gz ZICZPOHZIOUOGY-AAEUAGOBSA-N 1 1 330.392 0.770 20 10 ECCDMO C[C@H](C(N)=O)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340312 752435483 /nfs/dbraw/zinc/43/54/83/752435483.db2.gz NUZIZXAABGVHKF-MFKMUULPSA-N 1 1 346.391 0.917 20 10 ECCDMO C[C@H](C(N)=O)[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340312 752435488 /nfs/dbraw/zinc/43/54/88/752435488.db2.gz NUZIZXAABGVHKF-MFKMUULPSA-N 1 1 346.391 0.917 20 10 ECCDMO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052964194 765424067 /nfs/dbraw/zinc/42/40/67/765424067.db2.gz FAVFZVXOSGOWTH-GFCCVEGCSA-N 1 1 346.391 0.919 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)CCNC(N)=O)CC2)nc(C)[nH+]1 ZINC001089834608 767420184 /nfs/dbraw/zinc/42/01/84/767420184.db2.gz FGRMPZKIDXVDMX-UHFFFAOYSA-N 1 1 346.435 0.795 20 10 ECCDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000271246686 436679370 /nfs/dbraw/zinc/67/93/70/436679370.db2.gz GOESPLAZLRHFPQ-NSHDSACASA-N 1 1 328.390 0.635 20 10 ECCDMO Nc1nsc(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)n1 ZINC000271255068 436679529 /nfs/dbraw/zinc/67/95/29/436679529.db2.gz JJNCWUHUMZAAMV-UHFFFAOYSA-N 1 1 335.389 0.877 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H]([C@H](C)O)C1)cc2=O ZINC000272608387 436720914 /nfs/dbraw/zinc/72/09/14/436720914.db2.gz RXRNMMTZSRHXLT-QWRGUYRKSA-N 1 1 334.376 0.814 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)cc1F ZINC000177288427 437179157 /nfs/dbraw/zinc/17/91/57/437179157.db2.gz PICLAVLKCRWWGR-MRXNPFEDSA-N 1 1 337.395 0.814 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cc1F ZINC000177288427 437179161 /nfs/dbraw/zinc/17/91/61/437179161.db2.gz PICLAVLKCRWWGR-MRXNPFEDSA-N 1 1 337.395 0.814 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000278802320 437345316 /nfs/dbraw/zinc/34/53/16/437345316.db2.gz FWTHYEZITCMVQP-LJQANCHMSA-N 1 1 344.459 0.923 20 10 ECCDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccc(O)c2O)CC1 ZINC000364817443 437823096 /nfs/dbraw/zinc/82/30/96/437823096.db2.gz XHFWJCVCSOYDIK-ZDUSSCGKSA-N 1 1 333.388 0.476 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000029695600 524411282 /nfs/dbraw/zinc/41/12/82/524411282.db2.gz GKFXSNQCMOYGLB-MRXNPFEDSA-N 1 1 333.432 0.801 20 10 ECCDMO COc1cc(O)c(C[N@@H+](CCO)CCN2CCOCC2)cc1OC ZINC000775658261 579269544 /nfs/dbraw/zinc/26/95/44/579269544.db2.gz MKPRHCKRPAXZHQ-UHFFFAOYSA-N 1 1 340.420 0.536 20 10 ECCDMO O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000763997130 579568986 /nfs/dbraw/zinc/56/89/86/579568986.db2.gz JSVYYUPRKJOOGW-GOSISDBHSA-N 1 1 344.459 0.529 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)N[C@@H](C[NH3+])C3CC3)cc2)CC1 ZINC000892025915 586216380 /nfs/dbraw/zinc/21/63/80/586216380.db2.gz BAASWWJDPNXTJR-KRWDZBQOSA-N 1 1 331.464 0.975 20 10 ECCDMO CN(CCOCC[NH3+])C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000892940599 586302172 /nfs/dbraw/zinc/30/21/72/586302172.db2.gz YWNVABBDCJPNSI-UHFFFAOYSA-N 1 1 349.479 0.555 20 10 ECCDMO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843433641 589066649 /nfs/dbraw/zinc/06/66/49/589066649.db2.gz BQAZSXZXTIFJDP-WMZOPIPTSA-N 1 1 347.459 0.794 20 10 ECCDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000843433641 589066650 /nfs/dbraw/zinc/06/66/50/589066650.db2.gz BQAZSXZXTIFJDP-WMZOPIPTSA-N 1 1 347.459 0.794 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1F ZINC000803180709 587055529 /nfs/dbraw/zinc/05/55/29/587055529.db2.gz NBIOEEGKPIGELF-ZDUSSCGKSA-N 1 1 348.422 0.861 20 10 ECCDMO O=C1NC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CCN2C1=O ZINC000816520600 587315130 /nfs/dbraw/zinc/31/51/30/587315130.db2.gz SVGLSMQGXMBOHS-AWEZNQCLSA-N 1 1 325.368 0.688 20 10 ECCDMO COc1ccc(N2CC[C@@H](CNC(=O)CN3CC[NH+](C)CC3)C2)cc1 ZINC000819584941 587483203 /nfs/dbraw/zinc/48/32/03/587483203.db2.gz VCALZILLXSFHIW-INIZCTEOSA-N 1 1 346.475 0.885 20 10 ECCDMO CC[NH2+]CC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000844190999 589101865 /nfs/dbraw/zinc/10/18/65/589101865.db2.gz ISUCWGQFKXTQEP-UHFFFAOYSA-N 1 1 334.464 0.933 20 10 ECCDMO COc1cc(O)c(C[NH+]2CCN(c3nncn3C)CC2)cc1OC ZINC000848497809 589298552 /nfs/dbraw/zinc/29/85/52/589298552.db2.gz QNHHLLHILBPEDV-UHFFFAOYSA-N 1 1 333.392 0.860 20 10 ECCDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000856211115 589657022 /nfs/dbraw/zinc/65/70/22/589657022.db2.gz GIDVXCXMKCMOIG-SFHVURJKSA-N 1 1 347.459 0.985 20 10 ECCDMO CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000856211115 589657023 /nfs/dbraw/zinc/65/70/23/589657023.db2.gz GIDVXCXMKCMOIG-SFHVURJKSA-N 1 1 347.459 0.985 20 10 ECCDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000862552411 589943105 /nfs/dbraw/zinc/94/31/05/589943105.db2.gz YDTODFGWOIWRCT-LLVKDONJSA-N 1 1 342.417 0.882 20 10 ECCDMO COc1ccc(N2CC[NH+](CCc3nnnn3C)CC2)c(OC)c1 ZINC000879461499 590313044 /nfs/dbraw/zinc/31/30/44/590313044.db2.gz JNNPHVJLRQBSNI-UHFFFAOYSA-N 1 1 332.408 0.592 20 10 ECCDMO Cc1ccc(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c(O)c1 ZINC000876558625 590386379 /nfs/dbraw/zinc/38/63/79/590386379.db2.gz NVGGFKBPZJTKBE-UHFFFAOYSA-N 1 1 333.432 0.677 20 10 ECCDMO NC(=O)C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877657992 590476382 /nfs/dbraw/zinc/47/63/82/590476382.db2.gz LDXIEAJFFLDLSM-QGZVFWFLSA-N 1 1 333.432 0.724 20 10 ECCDMO NC(=O)C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877657992 590476384 /nfs/dbraw/zinc/47/63/84/590476384.db2.gz LDXIEAJFFLDLSM-QGZVFWFLSA-N 1 1 333.432 0.724 20 10 ECCDMO Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000927857941 611644480 /nfs/dbraw/zinc/64/44/80/611644480.db2.gz OBEJBMFNBZYPJL-UONOGXRCSA-N 1 1 334.445 0.903 20 10 ECCDMO Nc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000927857941 611644481 /nfs/dbraw/zinc/64/44/81/611644481.db2.gz OBEJBMFNBZYPJL-UONOGXRCSA-N 1 1 334.445 0.903 20 10 ECCDMO C[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945220222 610960880 /nfs/dbraw/zinc/96/08/80/610960880.db2.gz GOLBHVMOHIZSQD-GWCFXTLKSA-N 1 1 346.391 0.775 20 10 ECCDMO C[C@H]1C[N@@H+](CC(N)=O)CC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000945220222 610960883 /nfs/dbraw/zinc/96/08/83/610960883.db2.gz GOLBHVMOHIZSQD-GWCFXTLKSA-N 1 1 346.391 0.775 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@H]3C[NH3+])CC2)cc1 ZINC000923292301 611225557 /nfs/dbraw/zinc/22/55/57/611225557.db2.gz HIQCVEIIAUPEOE-ZWKOTPCHSA-N 1 1 348.491 0.601 20 10 ECCDMO CC(C)[N@H+]1CCCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1 ZINC000842241583 611313141 /nfs/dbraw/zinc/31/31/41/611313141.db2.gz FMSKQGVNPZNEND-UHFFFAOYSA-N 1 1 332.448 0.870 20 10 ECCDMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000929523255 611761949 /nfs/dbraw/zinc/76/19/49/611761949.db2.gz HKTVWFRSOJHJOI-INIZCTEOSA-N 1 1 330.432 0.723 20 10 ECCDMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000929523255 611761950 /nfs/dbraw/zinc/76/19/50/611761950.db2.gz HKTVWFRSOJHJOI-INIZCTEOSA-N 1 1 330.432 0.723 20 10 ECCDMO C[NH+]1CCN(c2nccnc2NCCc2cc(O)c(O)cc2O)CC1 ZINC001168010235 745787457 /nfs/dbraw/zinc/78/74/57/745787457.db2.gz TZNUKRMBUIHXIM-UHFFFAOYSA-N 1 1 345.403 1.000 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)[C@@H]3CCNC3=O)CC2)nc(C)[nH+]1 ZINC001089856178 763230166 /nfs/dbraw/zinc/23/01/66/763230166.db2.gz VZQCVSJCZPBJHM-HNNXBMFYSA-N 1 1 343.431 0.872 20 10 ECCDMO COc1cc(C(=O)NC2C[NH+](CC[C@H]3CCOC3)C2)cc(OC)n1 ZINC001030614541 764284814 /nfs/dbraw/zinc/28/48/14/764284814.db2.gz KVGQXRJEJHBUSL-LBPRGKRZSA-N 1 1 335.404 0.939 20 10 ECCDMO CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016366613 766191220 /nfs/dbraw/zinc/19/12/20/766191220.db2.gz DUGNSKFZXKEBIZ-OLZOCXBDSA-N 1 1 346.391 0.917 20 10 ECCDMO CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016366613 766191224 /nfs/dbraw/zinc/19/12/24/766191224.db2.gz DUGNSKFZXKEBIZ-OLZOCXBDSA-N 1 1 346.391 0.917 20 10 ECCDMO C[N@@H+]1CCO[C@@H](C(=O)NCCC2=CCN(c3nccnc3F)CC2)C1 ZINC001089816836 767289383 /nfs/dbraw/zinc/28/93/83/767289383.db2.gz CMNLJEQRVYJRHK-CQSZACIVSA-N 1 1 349.410 0.589 20 10 ECCDMO C[N@H+]1CCO[C@@H](C(=O)NCCC2=CCN(c3nccnc3F)CC2)C1 ZINC001089816836 767289384 /nfs/dbraw/zinc/28/93/84/767289384.db2.gz CMNLJEQRVYJRHK-CQSZACIVSA-N 1 1 349.410 0.589 20 10 ECCDMO COCC(=O)N1CC[C@H]([NH2+]Cc2nnnn2-c2ccc(OC)cc2)C1 ZINC001018374845 769239773 /nfs/dbraw/zinc/23/97/73/769239773.db2.gz XFKMEZJKWUDGHX-LBPRGKRZSA-N 1 1 346.391 0.008 20 10 ECCDMO C[N@@H+](CCCNC=C1C(=O)NC(=S)NC1=O)Cc1ccccc1 ZINC000052529257 436509628 /nfs/dbraw/zinc/50/96/28/436509628.db2.gz ZKSYQEZLTXAVRL-UHFFFAOYSA-N 1 1 332.429 0.513 20 10 ECCDMO COc1ccc(N2CCC[N@@H+](CC(=O)N3CCNC3=O)CC2)cc1 ZINC000053773160 436539299 /nfs/dbraw/zinc/53/92/99/436539299.db2.gz PBVJCTGIIRSVBT-UHFFFAOYSA-N 1 1 332.404 0.759 20 10 ECCDMO COc1cccc(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c1O ZINC000271029876 436678347 /nfs/dbraw/zinc/67/83/47/436678347.db2.gz GJFMVDZQUHRYFG-UHFFFAOYSA-N 1 1 349.431 0.377 20 10 ECCDMO CCCOc1ccc(C[N@@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c(O)c1 ZINC000271276526 436679817 /nfs/dbraw/zinc/67/98/17/436679817.db2.gz OMDXWYSMWPNQEN-ZDUSSCGKSA-N 1 1 333.388 0.324 20 10 ECCDMO CCCOc1ccc(C[N@H+]2CCN3C(=O)C(=O)NC[C@H]3C2)c(O)c1 ZINC000271276526 436679820 /nfs/dbraw/zinc/67/98/20/436679820.db2.gz OMDXWYSMWPNQEN-ZDUSSCGKSA-N 1 1 333.388 0.324 20 10 ECCDMO Nc1ccc(CC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000237887346 436747138 /nfs/dbraw/zinc/74/71/38/436747138.db2.gz OCDXQCHAMKRZOC-UHFFFAOYSA-N 1 1 344.459 0.968 20 10 ECCDMO Nc1ccc(CC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000237887346 436747143 /nfs/dbraw/zinc/74/71/43/436747143.db2.gz OCDXQCHAMKRZOC-UHFFFAOYSA-N 1 1 344.459 0.968 20 10 ECCDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000274911968 436891718 /nfs/dbraw/zinc/89/17/18/436891718.db2.gz UPRPZEFENPODDI-UHFFFAOYSA-N 1 1 335.404 0.818 20 10 ECCDMO COc1ccc(N2CCN(CC[NH2+]Cc3cnn(C)n3)CC2)cc1 ZINC000293652662 436895681 /nfs/dbraw/zinc/89/56/81/436895681.db2.gz SNGYLNSNQRYWSM-UHFFFAOYSA-N 1 1 330.436 0.736 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](C)[C@H]1CO)cc2=O ZINC000276024287 437045753 /nfs/dbraw/zinc/04/57/53/437045753.db2.gz KWUSZQPNRCOVFB-GXFFZTMASA-N 1 1 334.376 0.814 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)[C@H](C)C[NH3+])CC2)cc1 ZINC000286110591 437089029 /nfs/dbraw/zinc/08/90/29/437089029.db2.gz OBZVFDRKUMIVAS-OAHLLOKOSA-N 1 1 334.464 0.918 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@](C)(O)C3)CC2)cc1 ZINC000177975336 437202660 /nfs/dbraw/zinc/20/26/60/437202660.db2.gz SSRROWCMSYFSHL-SFHVURJKSA-N 1 1 333.432 0.801 20 10 ECCDMO COc1c(O)c(C[NH2+]CCOCCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278513762 437318116 /nfs/dbraw/zinc/31/81/16/437318116.db2.gz QFABZOPQWCPXSX-UHFFFAOYSA-N 1 1 348.377 0.460 20 10 ECCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCNC(=O)C1 ZINC000268100380 437367024 /nfs/dbraw/zinc/36/70/24/437367024.db2.gz NJCKFPGHIZNORD-HNNXBMFYSA-N 1 1 347.415 0.332 20 10 ECCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCNC(=O)C1 ZINC000268100380 437367026 /nfs/dbraw/zinc/36/70/26/437367026.db2.gz NJCKFPGHIZNORD-HNNXBMFYSA-N 1 1 347.415 0.332 20 10 ECCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCCN(S(N)(=O)=O)CC2)c1 ZINC000365002142 437842516 /nfs/dbraw/zinc/84/25/16/437842516.db2.gz XLISGZYOIYDYKK-NSHDSACASA-N 1 1 329.422 0.673 20 10 ECCDMO O=c1ccc(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)n[nH]1 ZINC000371337549 437919781 /nfs/dbraw/zinc/91/97/81/437919781.db2.gz VEGJYAYOPXHBRH-UHFFFAOYSA-N 1 1 330.344 0.939 20 10 ECCDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000371362186 437926254 /nfs/dbraw/zinc/92/62/54/437926254.db2.gz YAFTXWQQQWGESH-NSHDSACASA-N 1 1 330.406 0.533 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)cc1 ZINC000368239214 438304050 /nfs/dbraw/zinc/30/40/50/438304050.db2.gz HTFDLIKMZBGCCZ-NVXWUHKLSA-N 1 1 344.459 0.779 20 10 ECCDMO CC[N@H+]1CCC[C@@H]1CNC=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000028843129 521633329 /nfs/dbraw/zinc/63/33/29/521633329.db2.gz PKUNKZWARMNKKE-FNWMBBJUSA-N 1 1 338.477 0.844 20 10 ECCDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000785426389 578768586 /nfs/dbraw/zinc/76/85/86/578768586.db2.gz XMHBXXXLMJGPOS-OAHLLOKOSA-N 1 1 348.447 0.206 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000785424923 578768603 /nfs/dbraw/zinc/76/86/03/578768603.db2.gz WVAYXDPFMHXAKR-MRXNPFEDSA-N 1 1 344.459 0.969 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000785432449 578768942 /nfs/dbraw/zinc/76/89/42/578768942.db2.gz CRDSRELFVYXHIA-CQSZACIVSA-N 1 1 330.432 0.722 20 10 ECCDMO COc1cccc(O)c1C[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000768197205 579122864 /nfs/dbraw/zinc/12/28/64/579122864.db2.gz IWZVBUNWQSXJIV-UHFFFAOYSA-N 1 1 349.431 0.377 20 10 ECCDMO Nc1ccc(CCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000842202602 589020412 /nfs/dbraw/zinc/02/04/12/589020412.db2.gz OUIHKUHGGXIXHX-INIZCTEOSA-N 1 1 330.432 0.528 20 10 ECCDMO Nc1ccc(CCNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000842238836 589023939 /nfs/dbraw/zinc/02/39/39/589023939.db2.gz ZIPTZOIXBQVYJY-UHFFFAOYSA-N 1 1 330.432 0.624 20 10 ECCDMO COCCCNC(=O)C[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891530179 586174047 /nfs/dbraw/zinc/17/40/47/586174047.db2.gz XCZRVWMURRYIHP-UHFFFAOYSA-N 1 1 326.393 0.994 20 10 ECCDMO COCCCNC(=O)C[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891530179 586174049 /nfs/dbraw/zinc/17/40/49/586174049.db2.gz XCZRVWMURRYIHP-UHFFFAOYSA-N 1 1 326.393 0.994 20 10 ECCDMO COc1ccc(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)c(O)c1OC ZINC000892123569 586223175 /nfs/dbraw/zinc/22/31/75/586223175.db2.gz WMWMKAZQUFIXCL-UHFFFAOYSA-N 1 1 337.420 0.791 20 10 ECCDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843435562 589066812 /nfs/dbraw/zinc/06/68/12/589066812.db2.gz VWUSSKFGDPOLDE-DOTOQJQBSA-N 1 1 334.416 0.879 20 10 ECCDMO C[C@H]1NC(=O)N(CC[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000838785929 586824551 /nfs/dbraw/zinc/82/45/51/586824551.db2.gz ZEJSYXNEHWGMOC-CQSZACIVSA-N 1 1 346.431 0.895 20 10 ECCDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839636003 586884721 /nfs/dbraw/zinc/88/47/21/586884721.db2.gz MVPRRZCMAFYCST-OAHLLOKOSA-N 1 1 332.448 0.779 20 10 ECCDMO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000809733670 587182165 /nfs/dbraw/zinc/18/21/65/587182165.db2.gz CTNBGRXMKHPOOO-UHFFFAOYSA-N 1 1 346.391 0.122 20 10 ECCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)N(C)C)c1 ZINC000810262964 587191871 /nfs/dbraw/zinc/19/18/71/587191871.db2.gz HEEZTMXPOJDWJF-SNVBAGLBSA-N 1 1 330.406 0.721 20 10 ECCDMO CCc1cccc(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)c1O ZINC000848881559 589314586 /nfs/dbraw/zinc/31/45/86/589314586.db2.gz HOUPZCKPHAHLMW-UHFFFAOYSA-N 1 1 331.416 0.877 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000852315641 589490380 /nfs/dbraw/zinc/49/03/80/589490380.db2.gz VWDMGCVFTMLBLE-INIZCTEOSA-N 1 1 342.447 0.982 20 10 ECCDMO CO[C@@]1(CO)CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000852412761 589495173 /nfs/dbraw/zinc/49/51/73/589495173.db2.gz ZQSLBGMSZDRQKA-SFHVURJKSA-N 1 1 335.448 0.842 20 10 ECCDMO CO[C@@]1(CO)CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000852412761 589495175 /nfs/dbraw/zinc/49/51/75/589495175.db2.gz ZQSLBGMSZDRQKA-SFHVURJKSA-N 1 1 335.448 0.842 20 10 ECCDMO COCC[N@@H+](C)C[C@H](O)Cn1cc(COc2ccc(N)cc2)nn1 ZINC000881418039 590453617 /nfs/dbraw/zinc/45/36/17/590453617.db2.gz DOZYUBIBRGDRMO-HNNXBMFYSA-N 1 1 335.408 0.378 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000063512758 609781338 /nfs/dbraw/zinc/78/13/38/609781338.db2.gz HTNLBXJIHOHPDQ-MRXNPFEDSA-N 1 1 333.432 0.801 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3CCC[NH2+]CC3)CC2)cc1 ZINC000923278166 611223827 /nfs/dbraw/zinc/22/38/27/611223827.db2.gz ZDQSSXQTCRKUKH-GOSISDBHSA-N 1 1 348.491 0.473 20 10 ECCDMO CC(=O)c1cc(F)cc(C[N@H+](CCO)CCN2CCOCC2)c1O ZINC000086168613 612178232 /nfs/dbraw/zinc/17/82/32/612178232.db2.gz SRYMSUFZEMZVFG-UHFFFAOYSA-N 1 1 340.395 0.860 20 10 ECCDMO CC(=O)c1cc(F)cc(C[N@@H+](CCO)CCN2CCOCC2)c1O ZINC000086168613 612178233 /nfs/dbraw/zinc/17/82/33/612178233.db2.gz SRYMSUFZEMZVFG-UHFFFAOYSA-N 1 1 340.395 0.860 20 10 ECCDMO COc1ccc(N2CCC[N@@H+](CCN3C(=O)CNC3=O)CC2)cc1 ZINC000080110721 612222507 /nfs/dbraw/zinc/22/25/07/612222507.db2.gz AOVMWDDNGSVPPZ-UHFFFAOYSA-N 1 1 332.404 0.759 20 10 ECCDMO COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)[C@H](C)C2CC2)cc1 ZINC001125334277 733064353 /nfs/dbraw/zinc/06/43/53/733064353.db2.gz KACPWTKOVPMIBY-GFCCVEGCSA-N 1 1 344.419 0.923 20 10 ECCDMO CNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863702 763263742 /nfs/dbraw/zinc/26/37/42/763263742.db2.gz GQZUHCPPLCGUQQ-MRXNPFEDSA-N 1 1 346.391 0.789 20 10 ECCDMO CNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046863702 763263750 /nfs/dbraw/zinc/26/37/50/763263750.db2.gz GQZUHCPPLCGUQQ-MRXNPFEDSA-N 1 1 346.391 0.789 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)NC[C@@H](C)O)CC2)cc1 ZINC000277763198 254545369 /nfs/dbraw/zinc/54/53/69/254545369.db2.gz OYJOCGQNROMNLE-CQSZACIVSA-N 1 1 336.436 0.497 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@](C)(O)C1)cc2=O ZINC000271071635 436677821 /nfs/dbraw/zinc/67/78/21/436677821.db2.gz VRRYIIMKNNJIQW-INIZCTEOSA-N 1 1 334.376 0.958 20 10 ECCDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cccc(O)c1O ZINC000274951530 436898599 /nfs/dbraw/zinc/89/85/99/436898599.db2.gz IIOMUFCCBRCHFH-ZDUSSCGKSA-N 1 1 335.404 0.770 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000171883823 436991712 /nfs/dbraw/zinc/99/17/12/436991712.db2.gz PPZJDDYDAJGVEP-UHFFFAOYSA-N 1 1 347.463 0.797 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000171883823 436991713 /nfs/dbraw/zinc/99/17/13/436991713.db2.gz PPZJDDYDAJGVEP-UHFFFAOYSA-N 1 1 347.463 0.797 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)CCOCCO)cc2=O ZINC000282447160 437013218 /nfs/dbraw/zinc/01/32/18/437013218.db2.gz JWSXPBVZZKONCX-UHFFFAOYSA-N 1 1 338.364 0.052 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCC(=O)N3)CC2)cc1 ZINC000299514030 437085073 /nfs/dbraw/zinc/08/50/73/437085073.db2.gz UXVAFEQSVZHCQN-MRXNPFEDSA-N 1 1 346.431 0.212 20 10 ECCDMO CCOC(=O)CC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000299563586 437089244 /nfs/dbraw/zinc/08/92/44/437089244.db2.gz ALHPYDOOYWFCSI-UHFFFAOYSA-N 1 1 349.431 0.887 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)C[NH3+])CC2)cc1 ZINC000286110586 437087628 /nfs/dbraw/zinc/08/76/28/437087628.db2.gz OBZVFDRKUMIVAS-HNNXBMFYSA-N 1 1 334.464 0.918 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H]1CCN(C)C1=O)cc2=O ZINC000265641933 437165683 /nfs/dbraw/zinc/16/56/83/437165683.db2.gz KBXUPSZCJIFOAW-LBPRGKRZSA-N 1 1 347.375 0.274 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)[C@H]1CCN(C)C1=O)cc2=O ZINC000265641933 437165687 /nfs/dbraw/zinc/16/56/87/437165687.db2.gz KBXUPSZCJIFOAW-LBPRGKRZSA-N 1 1 347.375 0.274 20 10 ECCDMO C[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)CC1 ZINC000364828935 437822883 /nfs/dbraw/zinc/82/28/83/437822883.db2.gz HRURUTKGCAMNGR-ZDUSSCGKSA-N 1 1 347.415 0.724 20 10 ECCDMO O=C1COc2cc([N+](=O)[O-])c(N3CC[N@@H+]4CCOC[C@@H]4C3)cc2N1 ZINC000371802945 437994308 /nfs/dbraw/zinc/99/43/08/437994308.db2.gz NMNBOIHCWGXMFD-JTQLQIEISA-N 1 1 334.332 0.447 20 10 ECCDMO O=C1COc2cc([N+](=O)[O-])c(N3CC[N@H+]4CCOC[C@@H]4C3)cc2N1 ZINC000371802945 437994315 /nfs/dbraw/zinc/99/43/15/437994315.db2.gz NMNBOIHCWGXMFD-JTQLQIEISA-N 1 1 334.332 0.447 20 10 ECCDMO CN(C)c1ccc(CNC(=O)CN2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000366517888 438086030 /nfs/dbraw/zinc/08/60/30/438086030.db2.gz SQNPKVBJXUIITR-GOSISDBHSA-N 1 1 346.475 0.775 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)CCCC(=O)NC)cc2=O ZINC000753206377 579397107 /nfs/dbraw/zinc/39/71/07/579397107.db2.gz JLZAKBSIPNOLMY-UHFFFAOYSA-N 1 1 349.391 0.570 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@@H](O)C[C@@H]3C)CC2)cc1 ZINC000754083255 579412604 /nfs/dbraw/zinc/41/26/04/579412604.db2.gz YFWZRNQLTUERRU-SZMVWBNQSA-N 1 1 349.475 0.633 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1F ZINC000793937627 578567115 /nfs/dbraw/zinc/56/71/15/578567115.db2.gz PQLSRGLHBDEQNC-UHFFFAOYSA-N 1 1 336.411 0.718 20 10 ECCDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[N@H+]1C ZINC000785428974 578768761 /nfs/dbraw/zinc/76/87/61/578768761.db2.gz UISRYRUVHBMVLQ-HIFRSBDPSA-N 1 1 332.448 0.968 20 10 ECCDMO O=S1(=O)CC[C@@H]([N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C2CC2)C1 ZINC000768441474 579125576 /nfs/dbraw/zinc/12/55/76/579125576.db2.gz JDFDSXODRUASDM-IUODEOHRSA-N 1 1 339.413 0.970 20 10 ECCDMO O=S1(=O)CC[C@@H]([N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C2CC2)C1 ZINC000768441474 579125577 /nfs/dbraw/zinc/12/55/77/579125577.db2.gz JDFDSXODRUASDM-IUODEOHRSA-N 1 1 339.413 0.970 20 10 ECCDMO CN(C)C(=O)CCN1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768461857 579126335 /nfs/dbraw/zinc/12/63/35/579126335.db2.gz GHSWWUYUULOFKD-MRXNPFEDSA-N 1 1 349.431 0.414 20 10 ECCDMO C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[N@@H+]1CCO ZINC000777831871 579303270 /nfs/dbraw/zinc/30/32/70/579303270.db2.gz KXIFKTBJXQKMDP-JTQLQIEISA-N 1 1 336.348 0.429 20 10 ECCDMO C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[N@H+]1CCO ZINC000777831871 579303271 /nfs/dbraw/zinc/30/32/71/579303271.db2.gz KXIFKTBJXQKMDP-JTQLQIEISA-N 1 1 336.348 0.429 20 10 ECCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000842271031 589025873 /nfs/dbraw/zinc/02/58/73/589025873.db2.gz VLVYDFCYQJBTHV-UHFFFAOYSA-N 1 1 342.390 0.811 20 10 ECCDMO COc1ccc(C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c(O)c1OC ZINC000892074826 586219949 /nfs/dbraw/zinc/21/99/49/586219949.db2.gz AUQIHAJCFCQGGS-LLVKDONJSA-N 1 1 330.406 0.533 20 10 ECCDMO O=C1CNCCN1[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843063501 589048659 /nfs/dbraw/zinc/04/86/59/589048659.db2.gz BSJIXSBBEHTRSY-CYBMUJFWSA-N 1 1 333.388 0.517 20 10 ECCDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C)cc(OC)c1O ZINC000895025092 586425824 /nfs/dbraw/zinc/42/58/24/586425824.db2.gz MNGXDILGUXGRKG-ZDUSSCGKSA-N 1 1 336.388 0.963 20 10 ECCDMO COc1c(O)c(C[NH2+]C2CC(NS(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000802655253 587024266 /nfs/dbraw/zinc/02/42/66/587024266.db2.gz XENMCNPFHJVCDP-UHFFFAOYSA-N 1 1 345.377 0.479 20 10 ECCDMO COC(=O)[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+](C)C1 ZINC000840244060 587229635 /nfs/dbraw/zinc/22/96/35/587229635.db2.gz JEOLHPOQPVBPKY-OAHLLOKOSA-N 1 1 348.447 0.999 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]Cc3cc[nH]n3)CC2)cc1 ZINC000818957469 587462303 /nfs/dbraw/zinc/46/23/03/587462303.db2.gz WFTRNTVCAULVQG-KRWDZBQOSA-N 1 1 345.447 0.691 20 10 ECCDMO CN(C)c1ccc(CNC(=O)CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000844225810 589103971 /nfs/dbraw/zinc/10/39/71/589103971.db2.gz VNPVSWRABYHDIJ-SFHVURJKSA-N 1 1 345.491 0.348 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](O)CN2CCOCC2)cc1 ZINC000844400194 589110334 /nfs/dbraw/zinc/11/03/34/589110334.db2.gz WZCXRTJWXVMCTI-KRWDZBQOSA-N 1 1 337.464 0.756 20 10 ECCDMO O[C@@H]1CC[N@H+](C2CN(Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000846067538 589183451 /nfs/dbraw/zinc/18/34/51/589183451.db2.gz HSLFBONKFHXNHH-MRXNPFEDSA-N 1 1 335.423 0.913 20 10 ECCDMO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)c(O)cc1C ZINC000853569845 589549778 /nfs/dbraw/zinc/54/97/78/589549778.db2.gz GVZJUCCRBLNUEW-MAZHCROVSA-N 1 1 341.429 0.953 20 10 ECCDMO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)c(O)cc1C ZINC000853569845 589549779 /nfs/dbraw/zinc/54/97/79/589549779.db2.gz GVZJUCCRBLNUEW-MAZHCROVSA-N 1 1 341.429 0.953 20 10 ECCDMO C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4COC[C@]4(C(=O)[O-])C3)cc2)CC1 ZINC000854242464 589576362 /nfs/dbraw/zinc/57/63/62/589576362.db2.gz MOIGKHYRZDXFLC-VQIMIIECSA-N 1 1 345.443 0.971 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000859959824 589731489 /nfs/dbraw/zinc/73/14/89/589731489.db2.gz XMYRYZSBYUYLBJ-FZNQNYSPSA-N 1 1 332.448 0.907 20 10 ECCDMO CN(C)c1ccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000922493611 611352847 /nfs/dbraw/zinc/35/28/47/611352847.db2.gz KNOPTKKNCUAIDP-UHFFFAOYSA-N 1 1 333.479 0.900 20 10 ECCDMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000910545110 609730848 /nfs/dbraw/zinc/73/08/48/609730848.db2.gz ZXRAMMHNDSSTSW-MRXNPFEDSA-N 1 1 332.448 0.921 20 10 ECCDMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000910545110 609730849 /nfs/dbraw/zinc/73/08/49/609730849.db2.gz ZXRAMMHNDSSTSW-MRXNPFEDSA-N 1 1 332.448 0.921 20 10 ECCDMO CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H]3CC[N@@H+]3C)ccc21 ZINC000929806321 611795373 /nfs/dbraw/zinc/79/53/73/611795373.db2.gz YKOSIPWCFSDVNT-HNNXBMFYSA-N 1 1 330.432 0.506 20 10 ECCDMO CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H]3CC[N@H+]3C)ccc21 ZINC000929806321 611795376 /nfs/dbraw/zinc/79/53/76/611795376.db2.gz YKOSIPWCFSDVNT-HNNXBMFYSA-N 1 1 330.432 0.506 20 10 ECCDMO COC(=O)CNC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387249 436090778 /nfs/dbraw/zinc/09/07/78/436090778.db2.gz AKHSOKYHILOKHT-UHFFFAOYSA-N 1 1 335.404 0.244 20 10 ECCDMO COC(=O)CNC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387249 436090783 /nfs/dbraw/zinc/09/07/83/436090783.db2.gz AKHSOKYHILOKHT-UHFFFAOYSA-N 1 1 335.404 0.244 20 10 ECCDMO CCCC[N@H+](CC(N)=O)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000052704106 436513512 /nfs/dbraw/zinc/51/35/12/436513512.db2.gz DQYZJKDBCBMZKC-UHFFFAOYSA-N 1 1 349.391 0.699 20 10 ECCDMO CCCC[N@@H+](CC(N)=O)Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000052704106 436513518 /nfs/dbraw/zinc/51/35/18/436513518.db2.gz DQYZJKDBCBMZKC-UHFFFAOYSA-N 1 1 349.391 0.699 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H]([C@H](C)O)C1)cc2=O ZINC000272608390 436719804 /nfs/dbraw/zinc/71/98/04/436719804.db2.gz RXRNMMTZSRHXLT-WDEREUQCSA-N 1 1 334.376 0.814 20 10 ECCDMO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1COCC[NH2+]1 ZINC000165416521 436935529 /nfs/dbraw/zinc/93/55/29/436935529.db2.gz NJOHBZIAKZERBI-OAHLLOKOSA-N 1 1 337.395 0.391 20 10 ECCDMO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000281278578 436960231 /nfs/dbraw/zinc/96/02/31/436960231.db2.gz WBDZWKJOSVBJJZ-GOSISDBHSA-N 1 1 332.448 0.827 20 10 ECCDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174472169 437081322 /nfs/dbraw/zinc/08/13/22/437081322.db2.gz ZNWSDPQRFVSXKK-KRWDZBQOSA-N 1 1 333.432 0.812 20 10 ECCDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174472169 437081326 /nfs/dbraw/zinc/08/13/26/437081326.db2.gz ZNWSDPQRFVSXKK-KRWDZBQOSA-N 1 1 333.432 0.812 20 10 ECCDMO COc1ccc(O)c([C@H](C)[N@@H+]2CCO[C@H](CN(C)CC(N)=O)C2)c1 ZINC000377697271 438324248 /nfs/dbraw/zinc/32/42/48/438324248.db2.gz OELZMPAOJDVREC-GXTWGEPZSA-N 1 1 337.420 0.580 20 10 ECCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCO[C@H](CN(C)CC(N)=O)C2)c1 ZINC000377697271 438324253 /nfs/dbraw/zinc/32/42/53/438324253.db2.gz OELZMPAOJDVREC-GXTWGEPZSA-N 1 1 337.420 0.580 20 10 ECCDMO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(O)c1O ZINC000780919923 578702710 /nfs/dbraw/zinc/70/27/10/578702710.db2.gz YEABGNMTQJFDSK-LBPRGKRZSA-N 1 1 335.404 0.723 20 10 ECCDMO COCCCNC(=O)C[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000768444369 579125599 /nfs/dbraw/zinc/12/55/99/579125599.db2.gz XZRQVDVPECDDKP-UHFFFAOYSA-N 1 1 326.393 0.994 20 10 ECCDMO COCCCNC(=O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000768444369 579125600 /nfs/dbraw/zinc/12/56/00/579125600.db2.gz XZRQVDVPECDDKP-UHFFFAOYSA-N 1 1 326.393 0.994 20 10 ECCDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463314 579126294 /nfs/dbraw/zinc/12/62/94/579126294.db2.gz GRIYQGIBUSRYHE-RISCZKNCSA-N 1 1 342.417 0.332 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)NCCC[NH3+])CC2)cc1 ZINC000841664865 588996925 /nfs/dbraw/zinc/99/69/25/588996925.db2.gz DQTCLKQFCQBZTA-UHFFFAOYSA-N 1 1 349.479 0.855 20 10 ECCDMO O=S1(=O)NC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)CCN21 ZINC000897277666 586292911 /nfs/dbraw/zinc/29/29/11/586292911.db2.gz JWUJQWGBYRSIIT-CQSZACIVSA-N 1 1 333.413 0.880 20 10 ECCDMO C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843046872 589047444 /nfs/dbraw/zinc/04/74/44/589047444.db2.gz GWKAUPCXRYNXBZ-UHFFFAOYSA-N 1 1 342.783 0.817 20 10 ECCDMO C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843046872 589047446 /nfs/dbraw/zinc/04/74/46/589047446.db2.gz GWKAUPCXRYNXBZ-UHFFFAOYSA-N 1 1 342.783 0.817 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1OC ZINC000843065809 589049148 /nfs/dbraw/zinc/04/91/48/589049148.db2.gz QFPINNARFXRDPZ-AWEZNQCLSA-N 1 1 349.431 0.806 20 10 ECCDMO COc1cc(C)cc(C[NH+]2CCN(C(=O)Cn3cnnn3)CC2)c1O ZINC000894765675 586410685 /nfs/dbraw/zinc/41/06/85/586410685.db2.gz KOYWBMLLXLPGJZ-UHFFFAOYSA-N 1 1 346.391 0.040 20 10 ECCDMO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900025387 586519349 /nfs/dbraw/zinc/51/93/49/586519349.db2.gz DUVCWPXHPRZXPS-IEBWSBKVSA-N 1 1 347.459 0.937 20 10 ECCDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839480725 586858521 /nfs/dbraw/zinc/85/85/21/586858521.db2.gz LZLMOOLRJLFMSE-HIFRSBDPSA-N 1 1 332.448 0.955 20 10 ECCDMO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CSC[NH2+]3)cc2)CC1 ZINC000843500682 589073527 /nfs/dbraw/zinc/07/35/27/589073527.db2.gz YOSMEYMASBHZCD-INIZCTEOSA-N 1 1 348.472 0.634 20 10 ECCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(OCCO)CCOC2)c1 ZINC000850507550 589369011 /nfs/dbraw/zinc/36/90/11/589369011.db2.gz JWBAIIVSQZGITA-PXAZEXFGSA-N 1 1 339.388 0.997 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@]4(O)C[C@H]4C3)CC2)cc1 ZINC000852537428 589500409 /nfs/dbraw/zinc/50/04/09/589500409.db2.gz ZRUDAMGXNQTUAN-HNAYVOBHSA-N 1 1 345.443 0.801 20 10 ECCDMO CNS(=O)(=O)CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000856719372 589671433 /nfs/dbraw/zinc/67/14/33/589671433.db2.gz QSHVZXUJQHVLPS-UHFFFAOYSA-N 1 1 327.450 0.504 20 10 ECCDMO CNS(=O)(=O)CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000856719372 589671434 /nfs/dbraw/zinc/67/14/34/589671434.db2.gz QSHVZXUJQHVLPS-UHFFFAOYSA-N 1 1 327.450 0.504 20 10 ECCDMO O=C(C[N@H+]1CC=C[C@H]1CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000880485430 590395854 /nfs/dbraw/zinc/39/58/54/590395854.db2.gz GVELRHREUOSMCE-HNNXBMFYSA-N 1 1 349.406 0.511 20 10 ECCDMO O=C(C[N@@H+]1CC=C[C@H]1CO)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000880485430 590395857 /nfs/dbraw/zinc/39/58/57/590395857.db2.gz GVELRHREUOSMCE-HNNXBMFYSA-N 1 1 349.406 0.511 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(NC(N)=O)CC2)cc1 ZINC000081541182 612230983 /nfs/dbraw/zinc/23/09/83/612230983.db2.gz VXGNFUJPBZEZBR-UHFFFAOYSA-N 1 1 333.436 0.502 20 10 ECCDMO CC(=O)N1CC(=O)NC[C@]12CC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142520551 753928286 /nfs/dbraw/zinc/92/82/86/753928286.db2.gz LJXUXKVRBQYKBW-INIZCTEOSA-N 1 1 339.342 0.593 20 10 ECCDMO CC(=O)N1CC(=O)NC[C@]12CC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142520551 753928293 /nfs/dbraw/zinc/92/82/93/753928293.db2.gz LJXUXKVRBQYKBW-INIZCTEOSA-N 1 1 339.342 0.593 20 10 ECCDMO COc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC(N)=O)C3)cc(OC)n1 ZINC001047104311 763672613 /nfs/dbraw/zinc/67/26/13/763672613.db2.gz SEMQJMAAYNBWMI-DRZSPHRISA-N 1 1 348.403 0.167 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)cc(OC)n1 ZINC001015104137 763889557 /nfs/dbraw/zinc/88/95/57/763889557.db2.gz QMAPTSDROCIOHN-OLZOCXBDSA-N 1 1 348.403 0.134 20 10 ECCDMO COc1cc(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCN(C)C3=O)C2)cc(OC)n1 ZINC001015104137 763889565 /nfs/dbraw/zinc/88/95/65/763889565.db2.gz QMAPTSDROCIOHN-OLZOCXBDSA-N 1 1 348.403 0.134 20 10 ECCDMO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(C)o3)C2)cc(OC)n1 ZINC001020352156 772481996 /nfs/dbraw/zinc/48/19/96/772481996.db2.gz AFQQOPQLHZOANW-HAQNSBGRSA-N 1 1 347.375 0.841 20 10 ECCDMO COCC[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000054361713 436550894 /nfs/dbraw/zinc/55/08/94/436550894.db2.gz HSZXVEIMFWSGBX-UHFFFAOYSA-N 1 1 339.411 0.857 20 10 ECCDMO COCC[N@@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000054361713 436550898 /nfs/dbraw/zinc/55/08/98/436550898.db2.gz HSZXVEIMFWSGBX-UHFFFAOYSA-N 1 1 339.411 0.857 20 10 ECCDMO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1O ZINC000271813820 436695095 /nfs/dbraw/zinc/69/50/95/436695095.db2.gz NVDJIPVELCAKLY-UHFFFAOYSA-N 1 1 347.415 0.204 20 10 ECCDMO Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(O)c1O ZINC000272757067 436720274 /nfs/dbraw/zinc/72/02/74/436720274.db2.gz PNHLZWIXMWFJCL-CQSZACIVSA-N 1 1 347.415 0.785 20 10 ECCDMO COC(=O)/C=C/c1ccc(N2CC[NH2+][C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000298196098 437032793 /nfs/dbraw/zinc/03/27/93/437032793.db2.gz QSNYXPYOFTULAF-JOAKQRRISA-N 1 1 334.332 0.045 20 10 ECCDMO COCCOC[C@@H](O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000296472173 436993093 /nfs/dbraw/zinc/99/30/93/436993093.db2.gz KBMNAZNQMHDXDP-SFHVURJKSA-N 1 1 338.448 0.979 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC)[C@H]1CCNC1=O)cc2=O ZINC000282245012 437011764 /nfs/dbraw/zinc/01/17/64/437011764.db2.gz GIOMBZRBTYACGC-LBPRGKRZSA-N 1 1 347.375 0.322 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC)[C@H]1CCNC1=O)cc2=O ZINC000282245012 437011767 /nfs/dbraw/zinc/01/17/67/437011767.db2.gz GIOMBZRBTYACGC-LBPRGKRZSA-N 1 1 347.375 0.322 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCOC3)CC2)cc1 ZINC000299490798 437082183 /nfs/dbraw/zinc/08/21/83/437082183.db2.gz GNDSUTYCGRWYQQ-OAHLLOKOSA-N 1 1 333.432 0.970 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H](CO)C1)cc2=O ZINC000267154108 437297993 /nfs/dbraw/zinc/29/79/93/437297993.db2.gz NPOKPYFIPBCSTJ-NSHDSACASA-N 1 1 334.376 0.816 20 10 ECCDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000278736378 437338276 /nfs/dbraw/zinc/33/82/76/437338276.db2.gz QZDMCJUOWOWAHG-JSGCOSHPSA-N 1 1 339.388 0.967 20 10 ECCDMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000291867435 437636388 /nfs/dbraw/zinc/63/63/88/437636388.db2.gz JOOYNFUMHDRDGJ-NSHDSACASA-N 1 1 328.390 0.587 20 10 ECCDMO CC[N@@H+]1CCO[C@@H](CN2CCN(C(=O)Cc3ccc(N)cc3)CC2)C1 ZINC000370779795 437839169 /nfs/dbraw/zinc/83/91/69/437839169.db2.gz OUGUPPMTMBRHSD-GOSISDBHSA-N 1 1 346.475 0.676 20 10 ECCDMO CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)Cc3ccc(N)cc3)CC2)C1 ZINC000370779795 437839176 /nfs/dbraw/zinc/83/91/76/437839176.db2.gz OUGUPPMTMBRHSD-GOSISDBHSA-N 1 1 346.475 0.676 20 10 ECCDMO CN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCN2C1=O ZINC000376162291 438272014 /nfs/dbraw/zinc/27/20/14/438272014.db2.gz LPDSXXUDLDGAAN-INIZCTEOSA-N 1 1 344.415 0.601 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000754021249 579411043 /nfs/dbraw/zinc/41/10/43/579411043.db2.gz YMDULAZWHYWROT-QZTJIDSGSA-N 1 1 349.475 0.635 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)CCCO)CC2)cc1 ZINC000799363494 578664003 /nfs/dbraw/zinc/66/40/03/578664003.db2.gz FTHORTXSYPKARK-QGZVFWFLSA-N 1 1 337.464 0.492 20 10 ECCDMO C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000785432684 578768920 /nfs/dbraw/zinc/76/89/20/578768920.db2.gz HJYVSYJUSVQILT-BBRMVZONSA-N 1 1 348.447 0.204 20 10 ECCDMO C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000785432684 578768921 /nfs/dbraw/zinc/76/89/21/578768921.db2.gz HJYVSYJUSVQILT-BBRMVZONSA-N 1 1 348.447 0.204 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]CCC3CS(=O)(=O)C3)cc2)CC1 ZINC000786825694 578794823 /nfs/dbraw/zinc/79/48/23/578794823.db2.gz YXELYKALHAFENP-UHFFFAOYSA-N 1 1 337.489 0.963 20 10 ECCDMO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000787325577 578804989 /nfs/dbraw/zinc/80/49/89/578804989.db2.gz OFHSWAMDWWPQSI-KRWDZBQOSA-N 1 1 344.459 0.923 20 10 ECCDMO COc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(O)c1 ZINC000792990164 578919357 /nfs/dbraw/zinc/91/93/57/578919357.db2.gz PPGQVEZJTIAKFU-CYBMUJFWSA-N 1 1 336.436 0.836 20 10 ECCDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768463318 579126233 /nfs/dbraw/zinc/12/62/33/579126233.db2.gz GRIYQGIBUSRYHE-SMDDNHRTSA-N 1 1 342.417 0.332 20 10 ECCDMO CN(C)c1ccc([C@H](CNC(=O)CCS(C)(=O)=O)[NH+](C)C)cc1 ZINC000891254692 586156827 /nfs/dbraw/zinc/15/68/27/586156827.db2.gz IKHXVKUSBVXOGA-HNNXBMFYSA-N 1 1 341.477 0.906 20 10 ECCDMO CN(C)c1ccc([C@@H](CNS(=O)(=O)C2C[NH2+]C2)N(C)C)cc1 ZINC000903598741 586794403 /nfs/dbraw/zinc/79/44/03/586794403.db2.gz PVFPVWPJOXEZED-OAHLLOKOSA-N 1 1 326.466 0.247 20 10 ECCDMO COc1cc(Br)cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c1O ZINC000839167398 586839279 /nfs/dbraw/zinc/83/92/79/586839279.db2.gz YLZUNZNYUHIQLV-GXSJLCMTSA-N 1 1 332.194 0.948 20 10 ECCDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839480724 586858360 /nfs/dbraw/zinc/85/83/60/586858360.db2.gz LZLMOOLRJLFMSE-DZGCQCFKSA-N 1 1 332.448 0.955 20 10 ECCDMO COCCOC[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000905426115 586893351 /nfs/dbraw/zinc/89/33/51/586893351.db2.gz DGNSZKWDYBVPOF-GOSISDBHSA-N 1 1 337.464 0.552 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](O)[C@H](OC)C3)CC2)cc1 ZINC000832001424 588462321 /nfs/dbraw/zinc/46/23/21/588462321.db2.gz NCHWXNYWOBWOAQ-IAGOWNOFSA-N 1 1 349.431 0.035 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H](O)[C@H](OC)C3)CC2)cc1 ZINC000832001424 588462323 /nfs/dbraw/zinc/46/23/23/588462323.db2.gz NCHWXNYWOBWOAQ-IAGOWNOFSA-N 1 1 349.431 0.035 20 10 ECCDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cc(C)ccc2O)CC1 ZINC000858136048 589726690 /nfs/dbraw/zinc/72/66/90/589726690.db2.gz GBQZIDLCIGDEKL-UHFFFAOYSA-N 1 1 334.420 0.710 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1 ZINC000860156877 589748302 /nfs/dbraw/zinc/74/83/02/589748302.db2.gz IYPGEFPOWIZWOY-GDBMZVCRSA-N 1 1 331.416 0.816 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000875005673 590262158 /nfs/dbraw/zinc/26/21/58/590262158.db2.gz BIEXHMZLDBGFKH-NVXWUHKLSA-N 1 1 344.459 0.921 20 10 ECCDMO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877466170 590467247 /nfs/dbraw/zinc/46/72/47/590467247.db2.gz ZUNOMZMWPISWPS-INIZCTEOSA-N 1 1 339.461 0.511 20 10 ECCDMO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@H]3CO)CC2)cc1 ZINC000934015828 608787731 /nfs/dbraw/zinc/78/77/31/608787731.db2.gz GVQMONLZAHJOJN-IRXDYDNUSA-N 1 1 335.448 0.245 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN(C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000923408931 611239896 /nfs/dbraw/zinc/23/98/96/611239896.db2.gz KRFMTKLXVMVJHL-NVXWUHKLSA-N 1 1 336.480 0.457 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000923409618 611239906 /nfs/dbraw/zinc/23/99/06/611239906.db2.gz CASOKQYVIQNPTI-SZMVWBNQSA-N 1 1 346.475 0.224 20 10 ECCDMO CN1CCCc2cc(CNC(=O)C(=O)NC[C@H]3CC[N@@H+]3C)ccc21 ZINC000929806325 611795526 /nfs/dbraw/zinc/79/55/26/611795526.db2.gz YKOSIPWCFSDVNT-OAHLLOKOSA-N 1 1 330.432 0.506 20 10 ECCDMO CN1CCCc2cc(CNC(=O)C(=O)NC[C@H]3CC[N@H+]3C)ccc21 ZINC000929806325 611795528 /nfs/dbraw/zinc/79/55/28/611795528.db2.gz YKOSIPWCFSDVNT-OAHLLOKOSA-N 1 1 330.432 0.506 20 10 ECCDMO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(C)o3)C2)cc(OC)n1 ZINC001022367330 758631673 /nfs/dbraw/zinc/63/16/73/758631673.db2.gz AFQQOPQLHZOANW-TXEJJXNPSA-N 1 1 347.375 0.841 20 10 ECCDMO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253541 782565453 /nfs/dbraw/zinc/56/54/53/782565453.db2.gz GGSQVBBZTNDBDD-LERXQTSPSA-N 1 1 349.391 0.659 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)[C@H]3CNC(=O)N3)CC2)nc(C)[nH+]1 ZINC001089860625 763766760 /nfs/dbraw/zinc/76/67/60/763766760.db2.gz IASIFSGOMQVGIJ-CQSZACIVSA-N 1 1 344.419 0.418 20 10 ECCDMO COC[C@H](C)C(=O)NCC[NH2+]Cc1nnnn1-c1ccc(OC)cc1 ZINC001124753681 764201527 /nfs/dbraw/zinc/20/15/27/764201527.db2.gz LCLBSRBLMBKWAM-LBPRGKRZSA-N 1 1 348.407 0.159 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CCN2CCOCC2)cc1 ZINC000078671246 436276149 /nfs/dbraw/zinc/27/61/49/436276149.db2.gz LVFHUKZOQOPYBQ-UHFFFAOYSA-N 1 1 348.491 0.975 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)CCN2CCOCC2)cc1 ZINC000078671246 436276153 /nfs/dbraw/zinc/27/61/53/436276153.db2.gz LVFHUKZOQOPYBQ-UHFFFAOYSA-N 1 1 348.491 0.975 20 10 ECCDMO O=C1NC[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CCN2C1=O ZINC000091865949 436461672 /nfs/dbraw/zinc/46/16/72/436461672.db2.gz WDJRWGQLWQXZCE-KRWDZBQOSA-N 1 1 342.443 0.820 20 10 ECCDMO O=C1NC[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CCN2C1=O ZINC000091865949 436461679 /nfs/dbraw/zinc/46/16/79/436461679.db2.gz WDJRWGQLWQXZCE-KRWDZBQOSA-N 1 1 342.443 0.820 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CC(N)=O)C(C)C)cc2=O ZINC000051966190 436501159 /nfs/dbraw/zinc/50/11/59/436501159.db2.gz DFNPJERSFAGGPA-UHFFFAOYSA-N 1 1 335.364 0.307 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC(N)=O)C(C)C)cc2=O ZINC000051966190 436501163 /nfs/dbraw/zinc/50/11/63/436501163.db2.gz DFNPJERSFAGGPA-UHFFFAOYSA-N 1 1 335.364 0.307 20 10 ECCDMO COc1cc(O)c(C[N@@H+](C)C[C@H](O)CN2CCOCC2)cc1OC ZINC000271797136 436695213 /nfs/dbraw/zinc/69/52/13/436695213.db2.gz KDLJOIYBHCFLJP-AWEZNQCLSA-N 1 1 340.420 0.534 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cnc[nH]3)CC2)cc1 ZINC000264822695 437088656 /nfs/dbraw/zinc/08/86/56/437088656.db2.gz FUZGGYLVGDWKQF-UHFFFAOYSA-N 1 1 329.404 0.970 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@@H+](C)C[C@H](C)O)CC2)cc1 ZINC000754048075 579411632 /nfs/dbraw/zinc/41/16/32/579411632.db2.gz DNDDMGYFWBTZBB-DOTOQJQBSA-N 1 1 337.464 0.491 20 10 ECCDMO C[C@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1ccc(F)cc1O ZINC000756687574 579452855 /nfs/dbraw/zinc/45/28/55/579452855.db2.gz OCOITSOHLUKMCM-NSHDSACASA-N 1 1 332.397 0.844 20 10 ECCDMO C[N@H+]1CC[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000729526177 578296650 /nfs/dbraw/zinc/29/66/50/578296650.db2.gz ZBFQDABQZKEXIO-HZPDHXFCSA-N 1 1 344.459 0.956 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000785432448 578768957 /nfs/dbraw/zinc/76/89/57/578768957.db2.gz CRDSRELFVYXHIA-AWEZNQCLSA-N 1 1 330.432 0.722 20 10 ECCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](CN3CCOCC3)C1)[C@@H](O)CO2 ZINC000768466596 579126319 /nfs/dbraw/zinc/12/63/19/579126319.db2.gz SRJUUVSXQGRXGH-DYVFJYSZSA-N 1 1 334.416 0.972 20 10 ECCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H](O)C[C@H]3C)CC2)cc1 ZINC000761111767 579521949 /nfs/dbraw/zinc/52/19/49/579521949.db2.gz DCDFXKLBVNEBOR-ZBFHGGJFSA-N 1 1 333.432 0.799 20 10 ECCDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CC[N@@H+]1CC(C)(C)O ZINC000841095771 588977847 /nfs/dbraw/zinc/97/78/47/588977847.db2.gz KUMKIQFSOGZYEW-GFCCVEGCSA-N 1 1 334.420 0.511 20 10 ECCDMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CC[N@H+]1CC(C)(C)O ZINC000841095771 588977848 /nfs/dbraw/zinc/97/78/48/588977848.db2.gz KUMKIQFSOGZYEW-GFCCVEGCSA-N 1 1 334.420 0.511 20 10 ECCDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842167742 589016490 /nfs/dbraw/zinc/01/64/90/589016490.db2.gz ULGWCLYLYKMIOE-WBMJQRKESA-N 1 1 330.432 0.526 20 10 ECCDMO C[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)S(C)(=O)=O ZINC000891256261 586156992 /nfs/dbraw/zinc/15/69/92/586156992.db2.gz WPBLPFIBYZSEIE-IUODEOHRSA-N 1 1 341.477 0.905 20 10 ECCDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895126017 586165312 /nfs/dbraw/zinc/16/53/12/586165312.db2.gz UPVAKIPPWAQSIJ-NEPJUHHUSA-N 1 1 325.361 0.765 20 10 ECCDMO CN1CCN(c2ccc(CNC(=O)NC[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000892051421 586218122 /nfs/dbraw/zinc/21/81/22/586218122.db2.gz RWTFXKVFWSJHKR-KRWDZBQOSA-N 1 1 331.464 0.975 20 10 ECCDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000843435931 589066751 /nfs/dbraw/zinc/06/67/51/589066751.db2.gz ZRUCHWDAXWSMKI-NWDGAFQWSA-N 1 1 325.361 0.765 20 10 ECCDMO COC1CCN(c2ccc(C[NH+]3CCN(C(=O)CO)CC3)cc2)CC1 ZINC000828505602 588185185 /nfs/dbraw/zinc/18/51/85/588185185.db2.gz VAPJGZQLULDZPO-UHFFFAOYSA-N 1 1 347.459 0.938 20 10 ECCDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000851688163 589414566 /nfs/dbraw/zinc/41/45/66/589414566.db2.gz RUJHBOIMVURBHQ-HNNXBMFYSA-N 1 1 332.448 0.917 20 10 ECCDMO C[C@@H]([NH2+]C[C@@]12COCCN1C(=O)COC2)c1cc(F)cc(F)c1O ZINC000866551539 589749792 /nfs/dbraw/zinc/74/97/92/589749792.db2.gz AQMXHYVXARJLQG-HWPZZCPQSA-N 1 1 342.342 0.949 20 10 ECCDMO Oc1cc2c(cc1C[NH+]1CCN(c3nccnn3)CC1)[C@@H](O)CO2 ZINC000863271642 589996798 /nfs/dbraw/zinc/99/67/98/589996798.db2.gz CCGHEMBDMOBSGN-AWEZNQCLSA-N 1 1 329.360 0.325 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000875005675 590262147 /nfs/dbraw/zinc/26/21/47/590262147.db2.gz BIEXHMZLDBGFKH-WBVHZDCISA-N 1 1 344.459 0.921 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000875005672 590262219 /nfs/dbraw/zinc/26/22/19/590262219.db2.gz BIEXHMZLDBGFKH-DOTOQJQBSA-N 1 1 344.459 0.921 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1 ZINC000933754724 611747081 /nfs/dbraw/zinc/74/70/81/611747081.db2.gz GHEULHSCFVWNBQ-KXBFYZLASA-N 1 1 344.459 0.956 20 10 ECCDMO CN(C)c1ccc(CNC(=O)CN2CCN(C)CC[N@@H+](C)CC2)cc1 ZINC000933996373 611764700 /nfs/dbraw/zinc/76/47/00/611764700.db2.gz VVCIFEWCXWDOOY-UHFFFAOYSA-N 1 1 347.507 0.548 20 10 ECCDMO CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013797 743192801 /nfs/dbraw/zinc/19/28/01/743192801.db2.gz HTTMKLXTPJRDEI-NSHDSACASA-N 1 1 346.391 0.647 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3cc[nH]n3)CC2)cc1 ZINC000266419567 755917274 /nfs/dbraw/zinc/91/72/74/755917274.db2.gz FGLLNYDFYPBYNA-UHFFFAOYSA-N 1 1 343.431 0.899 20 10 ECCDMO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@@H+](CCCO)C[C@H]2O)cc1 ZINC001078253698 782566035 /nfs/dbraw/zinc/56/60/35/782566035.db2.gz NNXXIWXGHWPXHG-CHWSQXEVSA-N 1 1 335.364 0.006 20 10 ECCDMO Cc1cc(N2CC=C(CCNC(=O)[C@@H]3CNC(=O)N3)CC2)nc(C)[nH+]1 ZINC001089860624 763766862 /nfs/dbraw/zinc/76/68/62/763766862.db2.gz IASIFSGOMQVGIJ-AWEZNQCLSA-N 1 1 344.419 0.418 20 10 ECCDMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016366615 766191359 /nfs/dbraw/zinc/19/13/59/766191359.db2.gz DUGNSKFZXKEBIZ-QWHCGFSZSA-N 1 1 346.391 0.917 20 10 ECCDMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001016366615 766191361 /nfs/dbraw/zinc/19/13/61/766191361.db2.gz DUGNSKFZXKEBIZ-QWHCGFSZSA-N 1 1 346.391 0.917 20 10 ECCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCNC1=O ZINC000070976663 435998007 /nfs/dbraw/zinc/99/80/07/435998007.db2.gz CDZUJAKOFNVKSS-AWEZNQCLSA-N 1 1 333.388 0.925 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000283501058 437029344 /nfs/dbraw/zinc/02/93/44/437029344.db2.gz NNXCUVUUISBTKO-UHFFFAOYSA-N 1 1 332.448 0.921 20 10 ECCDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000299292413 437066810 /nfs/dbraw/zinc/06/68/10/437066810.db2.gz QAAQZHZMTICHRP-LLVKDONJSA-N 1 1 327.406 0.588 20 10 ECCDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000265546098 437148025 /nfs/dbraw/zinc/14/80/25/437148025.db2.gz SCDYUHYARMXXAM-JTQLQIEISA-N 1 1 327.406 0.445 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)C3([NH3+])CC3)CC2)cc1 ZINC000269260068 437475710 /nfs/dbraw/zinc/47/57/10/437475710.db2.gz METBBJFFEZARDK-UHFFFAOYSA-N 1 1 332.448 0.815 20 10 ECCDMO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2N1 ZINC000377225403 438305586 /nfs/dbraw/zinc/30/55/86/438305586.db2.gz QJRSXXZNRWLUOZ-DLBZAZTESA-N 1 1 331.416 0.613 20 10 ECCDMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC3(COC(=O)N3)CC2)cc1 ZINC000784455165 578752316 /nfs/dbraw/zinc/75/23/16/578752316.db2.gz NBGBLPAJSHMXNE-UHFFFAOYSA-N 1 1 346.431 0.943 20 10 ECCDMO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000785985247 578777886 /nfs/dbraw/zinc/77/78/86/578777886.db2.gz NOVKGFODCZBOGT-OAHLLOKOSA-N 1 1 325.434 0.386 20 10 ECCDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000790608791 578876386 /nfs/dbraw/zinc/87/63/86/578876386.db2.gz GJYSDXKIFJODGW-ZDUSSCGKSA-N 1 1 333.388 0.652 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)C(C)(C)C(N)=O)CC2)cc1 ZINC000767753959 579115054 /nfs/dbraw/zinc/11/50/54/579115054.db2.gz FGTUHEMGNDFRAE-UHFFFAOYSA-N 1 1 348.447 0.445 20 10 ECCDMO C[C@@H]1[C@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@H+]1C ZINC000771408347 579189004 /nfs/dbraw/zinc/18/90/04/579189004.db2.gz ULHMCTVMYJVJOX-MNOVXSKESA-N 1 1 341.433 0.928 20 10 ECCDMO C[C@@H]1[C@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@@H+]1C ZINC000771408347 579189005 /nfs/dbraw/zinc/18/90/05/579189005.db2.gz ULHMCTVMYJVJOX-MNOVXSKESA-N 1 1 341.433 0.928 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H](CO)C3)CC2)cc1 ZINC000779221939 579314373 /nfs/dbraw/zinc/31/43/73/579314373.db2.gz DJQHVXIMTPTKAX-WMZOPIPTSA-N 1 1 349.475 0.492 20 10 ECCDMO COc1ccc(N2CCN(CCCNC(=O)N[C@@H](C)C[NH3+])CC2)cc1 ZINC000841666530 588996913 /nfs/dbraw/zinc/99/69/13/588996913.db2.gz XQQZVILWYNFKIP-HNNXBMFYSA-N 1 1 349.479 0.854 20 10 ECCDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842238749 589023924 /nfs/dbraw/zinc/02/39/24/589023924.db2.gz XOTYFNHSSXLYIR-INIZCTEOSA-N 1 1 332.448 0.869 20 10 ECCDMO CCOc1cccc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1O ZINC000897285040 586294025 /nfs/dbraw/zinc/29/40/25/586294025.db2.gz RTULTEPIBTZAQU-LBPRGKRZSA-N 1 1 327.406 0.125 20 10 ECCDMO CCOc1cccc(C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1O ZINC000897285040 586294027 /nfs/dbraw/zinc/29/40/27/586294027.db2.gz RTULTEPIBTZAQU-LBPRGKRZSA-N 1 1 327.406 0.125 20 10 ECCDMO COc1cc(Br)cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c1O ZINC000839167399 586839784 /nfs/dbraw/zinc/83/97/84/586839784.db2.gz YLZUNZNYUHIQLV-KOLCDFICSA-N 1 1 332.194 0.948 20 10 ECCDMO COC(=O)CC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000906434115 586947372 /nfs/dbraw/zinc/94/73/72/586947372.db2.gz LRADFIZSYSEVFH-UHFFFAOYSA-N 1 1 335.404 0.497 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCC(=O)N(C)C3=O)cc2)CC1 ZINC000818233703 587415875 /nfs/dbraw/zinc/41/58/75/587415875.db2.gz MQBFLLVBYSHPJM-MRXNPFEDSA-N 1 1 330.432 0.675 20 10 ECCDMO CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)cc2)CC1 ZINC000824893600 587901466 /nfs/dbraw/zinc/90/14/66/587901466.db2.gz WNHQIZKJTRBSOG-IYBDPMFKSA-N 1 1 328.416 0.143 20 10 ECCDMO CN1CCN(c2ccc(C[N@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)cc2)CC1 ZINC000824893600 587901467 /nfs/dbraw/zinc/90/14/67/587901467.db2.gz WNHQIZKJTRBSOG-IYBDPMFKSA-N 1 1 328.416 0.143 20 10 ECCDMO CCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000826707761 588079992 /nfs/dbraw/zinc/07/99/92/588079992.db2.gz XNTRZXJEQPHHCQ-HNNXBMFYSA-N 1 1 332.448 0.969 20 10 ECCDMO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000830880953 588390662 /nfs/dbraw/zinc/39/06/62/588390662.db2.gz FSVCDFLXVPPIAZ-GOEBONIOSA-N 1 1 349.431 0.225 20 10 ECCDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000830880953 588390663 /nfs/dbraw/zinc/39/06/63/588390663.db2.gz FSVCDFLXVPPIAZ-GOEBONIOSA-N 1 1 349.431 0.225 20 10 ECCDMO COCCOCC[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000846117095 589185499 /nfs/dbraw/zinc/18/54/99/589185499.db2.gz MVVCXAYHCHTKIX-UHFFFAOYSA-N 1 1 338.404 0.902 20 10 ECCDMO COCCOCCN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000846117095 589185500 /nfs/dbraw/zinc/18/55/00/589185500.db2.gz MVVCXAYHCHTKIX-UHFFFAOYSA-N 1 1 338.404 0.902 20 10 ECCDMO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850359526 589364936 /nfs/dbraw/zinc/36/49/36/589364936.db2.gz KCQJOLCDBVMCJW-CVEARBPZSA-N 1 1 340.445 0.425 20 10 ECCDMO O=C(NCCCSc1nccs1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000875375103 590297373 /nfs/dbraw/zinc/29/73/73/590297373.db2.gz WKXMXDOWFBPOBB-NSHDSACASA-N 1 1 330.479 0.991 20 10 ECCDMO C[NH+]1CCN(C(=O)Cn2cc(COc3ccc(N)cc3)nn2)CC1 ZINC000881023468 590431416 /nfs/dbraw/zinc/43/14/16/590431416.db2.gz LUISSQSLPMLMOR-UHFFFAOYSA-N 1 1 330.392 0.213 20 10 ECCDMO CC(=O)N1CCN(C(=O)CC[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000882988723 590600827 /nfs/dbraw/zinc/60/08/27/590600827.db2.gz CWAUDZFVUGLBEH-UHFFFAOYSA-N 1 1 341.358 0.841 20 10 ECCDMO O=C1COC[C@]2(C[NH2+]Cc3cc(F)cc(F)c3O)COCCN12 ZINC000883198185 590609084 /nfs/dbraw/zinc/60/90/84/590609084.db2.gz BRHLZJPYSUAUDQ-HNNXBMFYSA-N 1 1 328.315 0.388 20 10 ECCDMO CN1CCN(c2ccc(C[NH2+]C[C@@]3(CO)COCCN3C)cc2)CC1 ZINC000922534071 611353779 /nfs/dbraw/zinc/35/37/79/611353779.db2.gz ULPSUIRWABKKTG-LJQANCHMSA-N 1 1 348.491 0.221 20 10 ECCDMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000930196944 611399297 /nfs/dbraw/zinc/39/92/97/611399297.db2.gz BVYKHVRGCLQZDS-SNVBAGLBSA-N 1 1 328.463 0.562 20 10 ECCDMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000930196944 611399300 /nfs/dbraw/zinc/39/93/00/611399300.db2.gz BVYKHVRGCLQZDS-SNVBAGLBSA-N 1 1 328.463 0.562 20 10 ECCDMO C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@@H+]1CC(N)=O ZINC000948075021 611409955 /nfs/dbraw/zinc/40/99/55/611409955.db2.gz WJXMROPEYNVBBB-GXFFZTMASA-N 1 1 346.391 0.917 20 10 ECCDMO C[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1CC(N)=O ZINC000948075021 611409956 /nfs/dbraw/zinc/40/99/56/611409956.db2.gz WJXMROPEYNVBBB-GXFFZTMASA-N 1 1 346.391 0.917 20 10 ECCDMO CN(C)c1ccc(CN(C)C(=O)CN2CC[NH+](CCO)CC2)cc1 ZINC000058028964 609722760 /nfs/dbraw/zinc/72/27/60/609722760.db2.gz NDCAGPITCIJTTB-UHFFFAOYSA-N 1 1 334.464 0.321 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3CC[NH2+]C[C@@H]3C)CC2)cc1 ZINC000923279796 611224032 /nfs/dbraw/zinc/22/40/32/611224032.db2.gz DAXNQGKOBGOGHK-WMZOPIPTSA-N 1 1 348.491 0.472 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CN3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000923282494 611224085 /nfs/dbraw/zinc/22/40/85/611224085.db2.gz SQCVRTXVQUBGFJ-SJLPKXTDSA-N 1 1 348.491 0.601 20 10 ECCDMO COc1ccc(N2CCN(C(=O)[C@H](C)N3CC[NH+](C)CC3)CC2)cc1 ZINC000193146515 612152737 /nfs/dbraw/zinc/15/27/37/612152737.db2.gz OQMWVDAIDWQUPV-INIZCTEOSA-N 1 1 346.475 0.980 20 10 ECCDMO C[N@H+](CC(N)=O)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698446 746880617 /nfs/dbraw/zinc/88/06/17/746880617.db2.gz JXWPAEQNRSCDFN-ZDUSSCGKSA-N 1 1 346.391 0.871 20 10 ECCDMO C[N@@H+](CC(N)=O)[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001027698446 746880625 /nfs/dbraw/zinc/88/06/25/746880625.db2.gz JXWPAEQNRSCDFN-ZDUSSCGKSA-N 1 1 346.391 0.871 20 10 ECCDMO CC[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015103433 763887081 /nfs/dbraw/zinc/88/70/81/763887081.db2.gz OLCPSEMIXFNXHV-NWDGAFQWSA-N 1 1 336.392 0.167 20 10 ECCDMO CC[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 ZINC001015103433 763887088 /nfs/dbraw/zinc/88/70/88/763887088.db2.gz OLCPSEMIXFNXHV-NWDGAFQWSA-N 1 1 336.392 0.167 20 10 ECCDMO CNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386996 436090317 /nfs/dbraw/zinc/09/03/17/436090317.db2.gz UINXQCPCTZBYRW-ZDUSSCGKSA-N 1 1 334.420 0.799 20 10 ECCDMO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1COCC[NH2+]1 ZINC000165484013 436935291 /nfs/dbraw/zinc/93/52/91/436935291.db2.gz PEFXWUJXLKNKRD-QGZVFWFLSA-N 1 1 333.432 0.500 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)CCC(=O)NC)cc2=O ZINC000263902918 437001415 /nfs/dbraw/zinc/00/14/15/437001415.db2.gz DHXSONONRABJDS-UHFFFAOYSA-N 1 1 335.364 0.180 20 10 ECCDMO COc1cc(O)c(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1OC ZINC000279352695 437397221 /nfs/dbraw/zinc/39/72/21/437397221.db2.gz GHRDMRDOGMTHEN-MRXNPFEDSA-N 1 1 335.360 0.583 20 10 ECCDMO COC(=O)CNC(=O)CC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000371634767 437969730 /nfs/dbraw/zinc/96/97/30/437969730.db2.gz NAOOGXASVBWDST-UHFFFAOYSA-N 1 1 349.431 0.887 20 10 ECCDMO COc1cccc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1O ZINC000367975072 438273173 /nfs/dbraw/zinc/27/31/73/438273173.db2.gz VOMBRPCOOMXJAT-UHFFFAOYSA-N 1 1 343.449 0.715 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](CC(N)=O)C1)cc2=O ZINC000377599497 438315149 /nfs/dbraw/zinc/31/51/49/438315149.db2.gz FJPDUVSESYSTNE-JTQLQIEISA-N 1 1 347.375 0.309 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+](C)[C@@H](C)CO)CC2)cc1 ZINC000754069985 579412253 /nfs/dbraw/zinc/41/22/53/579412253.db2.gz JDNCHUUCSADBJS-RDJZCZTQSA-N 1 1 337.464 0.491 20 10 ECCDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768444431 579125530 /nfs/dbraw/zinc/12/55/30/579125530.db2.gz BFESQXARZRMTPJ-SMDDNHRTSA-N 1 1 342.417 0.332 20 10 ECCDMO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[N@@H+]1CCO ZINC000777831877 579303335 /nfs/dbraw/zinc/30/33/35/579303335.db2.gz KXIFKTBJXQKMDP-SNVBAGLBSA-N 1 1 336.348 0.429 20 10 ECCDMO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[N@H+]1CCO ZINC000777831877 579303336 /nfs/dbraw/zinc/30/33/36/579303336.db2.gz KXIFKTBJXQKMDP-SNVBAGLBSA-N 1 1 336.348 0.429 20 10 ECCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1CCO)cc2=O ZINC000778270776 579307524 /nfs/dbraw/zinc/30/75/24/579307524.db2.gz UHAGLTBPMZBXJP-LBPRGKRZSA-N 1 1 334.376 0.958 20 10 ECCDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842238470 589023770 /nfs/dbraw/zinc/02/37/70/589023770.db2.gz QUCZMHQYBNLERE-WBVHZDCISA-N 1 1 344.459 0.870 20 10 ECCDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842238468 589023977 /nfs/dbraw/zinc/02/39/77/589023977.db2.gz QUCZMHQYBNLERE-NVXWUHKLSA-N 1 1 344.459 0.870 20 10 ECCDMO CN(C)c1ccc([C@@H](CNC(=O)CCS(C)(=O)=O)[NH+](C)C)cc1 ZINC000891254694 586156862 /nfs/dbraw/zinc/15/68/62/586156862.db2.gz IKHXVKUSBVXOGA-OAHLLOKOSA-N 1 1 341.477 0.906 20 10 ECCDMO CN(C)c1ccc([C@@H](CNC(=O)CS(C)(=O)=O)[NH+](C)C)cc1 ZINC000891254800 586156879 /nfs/dbraw/zinc/15/68/79/586156879.db2.gz JVBYOPKOASXGAX-CQSZACIVSA-N 1 1 327.450 0.516 20 10 ECCDMO CN(C)c1ccc([C@@H](C[NH2+]Cc2cn(CC(N)=O)nn2)N(C)C)cc1 ZINC000898449276 586424023 /nfs/dbraw/zinc/42/40/23/586424023.db2.gz AIJHJJDIQARNSM-MRXNPFEDSA-N 1 1 345.451 0.222 20 10 ECCDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000900337350 586625379 /nfs/dbraw/zinc/62/53/79/586625379.db2.gz GVZWDFLVDUQLLA-WMZOPIPTSA-N 1 1 333.432 0.595 20 10 ECCDMO C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000900337144 586625529 /nfs/dbraw/zinc/62/55/29/586625529.db2.gz BRFMKDMZKFIXBM-LJQANCHMSA-N 1 1 347.459 0.986 20 10 ECCDMO COc1cc(Br)cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c1O ZINC000839167401 586839320 /nfs/dbraw/zinc/83/93/20/586839320.db2.gz YLZUNZNYUHIQLV-ONGXEEELSA-N 1 1 332.194 0.948 20 10 ECCDMO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CSC[NH2+]3)cc2)CC1 ZINC000843500683 589073470 /nfs/dbraw/zinc/07/34/70/589073470.db2.gz YOSMEYMASBHZCD-MRXNPFEDSA-N 1 1 348.472 0.634 20 10 ECCDMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000804030111 587074309 /nfs/dbraw/zinc/07/43/09/587074309.db2.gz DGWPKSHWLGSNBR-UHFFFAOYSA-N 1 1 343.431 0.999 20 10 ECCDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC12COC2 ZINC000840098880 587130356 /nfs/dbraw/zinc/13/03/56/587130356.db2.gz FIVZCBLNVCMSQP-ZFWWWQNUSA-N 1 1 349.383 0.830 20 10 ECCDMO CN1CCN(C[C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000818953741 587462351 /nfs/dbraw/zinc/46/23/51/587462351.db2.gz MJVHIVLSUBYZQS-IBGZPJMESA-N 1 1 332.492 0.985 20 10 ECCDMO COc1ccc(N(C)CC[N@H+](C)CC(=O)N2CCN(C)CC2)cc1 ZINC000844399493 589110466 /nfs/dbraw/zinc/11/04/66/589110466.db2.gz KSDAKEMFCCQNJU-UHFFFAOYSA-N 1 1 334.464 0.837 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)N2CCN(C)CC2)cc1 ZINC000844399493 589110468 /nfs/dbraw/zinc/11/04/68/589110468.db2.gz KSDAKEMFCCQNJU-UHFFFAOYSA-N 1 1 334.464 0.837 20 10 ECCDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850359529 589365030 /nfs/dbraw/zinc/36/50/30/589365030.db2.gz KCQJOLCDBVMCJW-JKSUJKDBSA-N 1 1 340.445 0.425 20 10 ECCDMO COc1ccc(N2CC[NH+](CCNC(=O)N[C@H]3C[C@H](O)C3)CC2)cc1 ZINC000853539893 589547264 /nfs/dbraw/zinc/54/72/64/589547264.db2.gz DDBHJGYQRCEEMI-KOMQPUFPSA-N 1 1 348.447 0.640 20 10 ECCDMO COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)cc1 ZINC000855233573 589623580 /nfs/dbraw/zinc/62/35/80/589623580.db2.gz ILOBGQNRWATSBJ-YJBOKZPZSA-N 1 1 344.459 0.780 20 10 ECCDMO C[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000856211380 589657143 /nfs/dbraw/zinc/65/71/43/589657143.db2.gz NWTNILZAEXISAY-QGZVFWFLSA-N 1 1 333.432 0.595 20 10 ECCDMO C[N@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000856211380 589657145 /nfs/dbraw/zinc/65/71/45/589657145.db2.gz NWTNILZAEXISAY-QGZVFWFLSA-N 1 1 333.432 0.595 20 10 ECCDMO COc1ccc(N2CCN(CC[NH2+]Cc3ncnn3C)CC2)cc1 ZINC000876980542 590431984 /nfs/dbraw/zinc/43/19/84/590431984.db2.gz IPZFKWNKABNPDX-UHFFFAOYSA-N 1 1 330.436 0.736 20 10 ECCDMO C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1c(O)cccc1F ZINC000886523184 590857206 /nfs/dbraw/zinc/85/72/06/590857206.db2.gz YIABMJVXOJUAEJ-GFCCVEGCSA-N 1 1 345.440 0.759 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)C[C@@]2(O)CCOC2)cc1 ZINC000930850920 611474107 /nfs/dbraw/zinc/47/41/07/611474107.db2.gz ZQWKQYBHAUIFHB-WMZOPIPTSA-N 1 1 338.448 0.966 20 10 ECCDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](O)C[C@]2(O)CCOC2)cc1 ZINC000930850918 611474138 /nfs/dbraw/zinc/47/41/38/611474138.db2.gz ZQWKQYBHAUIFHB-SJLPKXTDSA-N 1 1 338.448 0.966 20 10 ECCDMO COc1ccc(N2CC[C@@H](NC(=O)C3CN(C)CC[N@@H+](C)C3)C2)cc1 ZINC000912291777 609944329 /nfs/dbraw/zinc/94/43/29/609944329.db2.gz CHVDUQWTFKKWOL-MRXNPFEDSA-N 1 1 346.475 0.884 20 10 ECCDMO Cn1nccc1[C@H](O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000922973008 611189142 /nfs/dbraw/zinc/18/91/42/611189142.db2.gz DUBMNQGGNGIFJZ-GOSISDBHSA-N 1 1 329.448 0.995 20 10 ECCDMO C[C@H](C(=O)Nc1ccc(O)c(CNC(=O)[C@@H](C)[NH+](C)C)c1)N(C)C ZINC000923118957 611204799 /nfs/dbraw/zinc/20/47/99/611204799.db2.gz YFTKTYQRHVDEAL-VXGBXAGGSA-N 1 1 336.436 0.847 20 10 ECCDMO COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000923280887 611224041 /nfs/dbraw/zinc/22/40/41/611224041.db2.gz JROJAHXJJPBXNM-AEFFLSMTSA-N 1 1 348.491 0.459 20 10 ECCDMO COc1ccc(N2CCN(C[C@H](O)CN3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000923282496 611224337 /nfs/dbraw/zinc/22/43/37/611224337.db2.gz SQCVRTXVQUBGFJ-WMZOPIPTSA-N 1 1 348.491 0.601 20 10 ECCDMO COc1ccc(N2CCN(C[C@@H](O)CNCC3([NH3+])CCC3)CC2)cc1 ZINC000923330345 611229060 /nfs/dbraw/zinc/22/90/60/611229060.db2.gz CPOJQGRGPUQKOU-KRWDZBQOSA-N 1 1 348.491 0.649 20 10 ECCDMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000929523257 611762010 /nfs/dbraw/zinc/76/20/10/611762010.db2.gz HKTVWFRSOJHJOI-MRXNPFEDSA-N 1 1 330.432 0.723 20 10 ECCDMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000929523257 611762011 /nfs/dbraw/zinc/76/20/11/611762011.db2.gz HKTVWFRSOJHJOI-MRXNPFEDSA-N 1 1 330.432 0.723 20 10 ECCDMO