smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1C ZINC001020530787 751764996 /nfs/dbraw/zinc/76/49/96/751764996.db2.gz HCDPWHYWWUFQJV-MGPQQGTHSA-N 1 0 332.404 0.422 20 10 ECCDRO C[C@@H]([NH2+]C1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1)C(N)=O ZINC000999908481 745047596 /nfs/dbraw/zinc/04/75/96/745047596.db2.gz WPLXHTZQHAIXOV-UHEGKEBESA-N 1 0 346.391 0.915 20 10 ECCDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CNC(=O)N3)C2)cc1C ZINC001000049005 745229353 /nfs/dbraw/zinc/22/93/53/745229353.db2.gz MFMJHUMSCYHYIS-HUUCEWRRSA-N 1 0 346.431 0.766 20 10 ECCDRO COc1ccc(N2CCN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000320673381 748327576 /nfs/dbraw/zinc/32/75/76/748327576.db2.gz NPDLOBHEIPYQTF-MRXNPFEDSA-N 1 0 339.461 0.899 20 10 ECCDRO C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253617 782565495 /nfs/dbraw/zinc/56/54/95/782565495.db2.gz JNJGDGBANKGQHL-ZWKOPEQDSA-N 1 0 335.364 0.005 20 10 ECCDRO COCCn1cc(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)nn1 ZINC001127056802 760550902 /nfs/dbraw/zinc/55/09/02/760550902.db2.gz KCORMMZYXPYVKA-UHFFFAOYSA-N 1 0 347.419 0.761 20 10 ECCDRO COc1cc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C2)cc(OC)n1 ZINC001015101490 763881930 /nfs/dbraw/zinc/88/19/30/763881930.db2.gz GLDLALWKDTVVAR-ZDUSSCGKSA-N 1 0 346.391 0.195 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](C(=O)OC)C1)cc2=O ZINC000298798304 202347953 /nfs/dbraw/zinc/34/79/53/202347953.db2.gz MUQYGUOCSLRGBT-SNVBAGLBSA-N 1 0 348.359 0.607 20 10 ECCDRO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(O)c1O ZINC000371663712 437975805 /nfs/dbraw/zinc/97/58/05/437975805.db2.gz DXTSSOANPNQEAE-CQSZACIVSA-N 1 0 349.431 0.543 20 10 ECCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+](C)[C@H](C)CO)CC2)cc1 ZINC000754069984 579412300 /nfs/dbraw/zinc/41/23/00/579412300.db2.gz JDNCHUUCSADBJS-NVXWUHKLSA-N 1 0 337.464 0.491 20 10 ECCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C3CCOCC3)CC2)cc1 ZINC000758210271 579468667 /nfs/dbraw/zinc/46/86/67/579468667.db2.gz OSKQZBFJDAKNMW-SFHVURJKSA-N 1 0 349.475 0.947 20 10 ECCDRO CC(C)[N@H+](C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000726195382 578139127 /nfs/dbraw/zinc/13/91/27/578139127.db2.gz XRGIKYKLRHMZQL-UHFFFAOYSA-N 1 0 329.422 0.834 20 10 ECCDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000731058360 578310331 /nfs/dbraw/zinc/31/03/31/578310331.db2.gz UZMMAXDPERZBBS-NSHDSACASA-N 1 0 341.433 0.835 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCO)CC1CC1)cc2=O ZINC000731847189 578315744 /nfs/dbraw/zinc/31/57/44/578315744.db2.gz SXANTHFTJRNFJD-UHFFFAOYSA-N 1 0 334.376 0.816 20 10 ECCDRO COC(=O)[C@H]1[C@H](O)CCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783705074 578744694 /nfs/dbraw/zinc/74/46/94/578744694.db2.gz UXQQQVMSHDXQPW-QZTJIDSGSA-N 1 0 347.459 0.937 20 10 ECCDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000790608790 578876324 /nfs/dbraw/zinc/87/63/24/578876324.db2.gz GJYSDXKIFJODGW-CYBMUJFWSA-N 1 0 333.388 0.652 20 10 ECCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000770680060 579173460 /nfs/dbraw/zinc/17/34/60/579173460.db2.gz WNEXAXSFQARBSQ-FZMZJTMJSA-N 1 0 342.417 0.332 20 10 ECCDRO COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258408 579264796 /nfs/dbraw/zinc/26/47/96/579264796.db2.gz ZPZREZJVRWLHDE-AWEZNQCLSA-N 1 0 349.431 0.853 20 10 ECCDRO COC(=O)CN(CC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775658397 579269566 /nfs/dbraw/zinc/26/95/66/579269566.db2.gz LWUTZGHHIIIYGI-UHFFFAOYSA-N 1 0 349.431 0.586 20 10 ECCDRO COCCN(CC(=O)N(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775656342 579269601 /nfs/dbraw/zinc/26/96/01/579269601.db2.gz FATSRMLHBUIENQ-UHFFFAOYSA-N 1 0 348.491 0.975 20 10 ECCDRO CN(C)c1ccc(CNC(=O)NCCCN2CC[NH2+]CC2)cc1F ZINC000841760821 589000145 /nfs/dbraw/zinc/00/01/45/589000145.db2.gz LVVJJXFRWVDOER-UHFFFAOYSA-N 1 0 337.443 0.986 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000842070361 589010580 /nfs/dbraw/zinc/01/05/80/589010580.db2.gz NUXLUCAOUVXLTL-GJZGRUSLSA-N 1 0 346.475 0.929 20 10 ECCDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000842147599 589014244 /nfs/dbraw/zinc/01/42/44/589014244.db2.gz HACAITBUDGLPRW-AAEUAGOBSA-N 1 0 336.411 0.704 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CCC([NH3+])CC3)ccc21 ZINC000842149805 589014715 /nfs/dbraw/zinc/01/47/15/589014715.db2.gz GDXVGDDHTOETED-UHFFFAOYSA-N 1 0 330.432 0.635 20 10 ECCDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842149798 589014810 /nfs/dbraw/zinc/01/48/10/589014810.db2.gz FVKGEXVQKWTJPT-BBRMVZONSA-N 1 0 344.459 0.799 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CCC(C[NH3+])CC3)ccc21 ZINC000842150652 589014959 /nfs/dbraw/zinc/01/49/59/589014959.db2.gz TVQXFTWRTGAFDB-UHFFFAOYSA-N 1 0 344.459 0.883 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)NCC[C@H]3CC[NH2+]C3)ccc21 ZINC000842150384 589015048 /nfs/dbraw/zinc/01/50/48/589015048.db2.gz QNMQPBROTCKGBM-CQSZACIVSA-N 1 0 344.459 0.801 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000842154089 589015339 /nfs/dbraw/zinc/01/53/39/589015339.db2.gz RDRIBBRZSXZQKS-XJKSGUPXSA-N 1 0 332.448 0.791 20 10 ECCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1[NH3+] ZINC000842170559 589016574 /nfs/dbraw/zinc/01/65/74/589016574.db2.gz IRVGNEQVSAMZSN-WMLDXEAASA-N 1 0 342.443 0.875 20 10 ECCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1F ZINC000842208654 589021072 /nfs/dbraw/zinc/02/10/72/589021072.db2.gz CUORVLHSSNAYAC-CYBMUJFWSA-N 1 0 336.411 0.848 20 10 ECCDRO C[NH+](C)CCNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000891087035 586079905 /nfs/dbraw/zinc/07/99/05/586079905.db2.gz JQNKMUPYROWSFD-UHFFFAOYSA-N 1 0 347.463 0.749 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC(=O)NC2)[NH+](C)C)cc1 ZINC000891255947 586156794 /nfs/dbraw/zinc/15/67/94/586156794.db2.gz SZUZKOZBQIUVOV-ZBFHGGJFSA-N 1 0 332.448 0.998 20 10 ECCDRO COc1ccc(C[NH2+]C[C@@]2(OCCO)CCOC2)c(O)c1OC ZINC000895338341 586177411 /nfs/dbraw/zinc/17/74/11/586177411.db2.gz QJLMNTOGNWSGPB-INIZCTEOSA-N 1 0 327.377 0.667 20 10 ECCDRO CN(C)C(=O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891577041 586179027 /nfs/dbraw/zinc/17/90/27/586179027.db2.gz QHJSSSMBOXPENL-HNNXBMFYSA-N 1 0 335.452 0.743 20 10 ECCDRO COc1ccc(C[NH+]2CCC(C(=O)NCCO)CC2)c(O)c1OC ZINC000891615573 586182148 /nfs/dbraw/zinc/18/21/48/586182148.db2.gz XEQQJBFONOAMKG-UHFFFAOYSA-N 1 0 338.404 0.730 20 10 ECCDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895702783 586199448 /nfs/dbraw/zinc/19/94/48/586199448.db2.gz VLWYNSDOQGHNTB-GOSISDBHSA-N 1 0 334.416 0.758 20 10 ECCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000892180876 586227655 /nfs/dbraw/zinc/22/76/55/586227655.db2.gz UYYJKUZCMXZZCO-LBPRGKRZSA-N 1 0 344.433 0.923 20 10 ECCDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000842784425 589036245 /nfs/dbraw/zinc/03/62/45/589036245.db2.gz JOKXDRQAWXNWQN-GJZGRUSLSA-N 1 0 327.450 0.851 20 10 ECCDRO COC(=O)[C@@H]1[C@H](O)CCCN1Cc1ccc(OC)c(OC)c1O ZINC000893868947 586364678 /nfs/dbraw/zinc/36/46/78/586364678.db2.gz XRSUNPRANNQLHG-YPMHNXCESA-N 1 0 325.361 0.908 20 10 ECCDRO COC(=O)[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)CC[N@H+](C)C1 ZINC000894896160 586417998 /nfs/dbraw/zinc/41/79/98/586417998.db2.gz JFXSQWJTOUMHOF-ZDUSSCGKSA-N 1 0 338.404 0.946 20 10 ECCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000843263832 589058243 /nfs/dbraw/zinc/05/82/43/589058243.db2.gz ZXMXJOJQIKAVFZ-CHWSQXEVSA-N 1 0 332.448 0.927 20 10 ECCDRO CC(=O)N1CSC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299921 589060253 /nfs/dbraw/zinc/06/02/53/589060253.db2.gz ZPUVXPQPBWJXKG-CABCVRRESA-N 1 0 336.461 0.790 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@](O)(CO)C2)cc1 ZINC000839149945 586838588 /nfs/dbraw/zinc/83/85/88/586838588.db2.gz YKWLSBNTUNZMCE-SFHVURJKSA-N 1 0 335.448 0.530 20 10 ECCDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C[C@@H](O)C3(O)CCC3)cc2)C1 ZINC000905059568 586868394 /nfs/dbraw/zinc/86/83/94/586868394.db2.gz OGXUVQCNMFBGBS-DOTOQJQBSA-N 1 0 347.459 0.754 20 10 ECCDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000817917378 587391655 /nfs/dbraw/zinc/39/16/55/587391655.db2.gz BNPFDMPUEUXXSQ-BBRMVZONSA-N 1 0 332.448 0.907 20 10 ECCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000817991168 587395378 /nfs/dbraw/zinc/39/53/78/587395378.db2.gz NSGBKXKZOPBAQP-KGLIPLIRSA-N 1 0 332.448 0.920 20 10 ECCDRO [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000844173982 589098927 /nfs/dbraw/zinc/09/89/27/589098927.db2.gz HLFQYHDQLXFFBB-OKILXGFUSA-N 1 0 337.445 0.275 20 10 ECCDRO COCC[NH2+]CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000832172803 588471521 /nfs/dbraw/zinc/47/15/21/588471521.db2.gz KBAUPFJMMHDDDA-UHFFFAOYSA-N 1 0 348.447 0.207 20 10 ECCDRO CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)C[NH3+])cc2)CC1 ZINC000832173975 588471851 /nfs/dbraw/zinc/47/18/51/588471851.db2.gz ZQXZLUKWBHGEKY-UHFFFAOYSA-N 1 0 332.448 0.956 20 10 ECCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](O)[C@H]3C)CC2)cc1 ZINC000832209448 588474670 /nfs/dbraw/zinc/47/46/70/588474670.db2.gz IJVNTKIDQJTEEJ-RHSMWYFYSA-N 1 0 333.432 0.799 20 10 ECCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000851684795 589413397 /nfs/dbraw/zinc/41/33/97/589413397.db2.gz HYHRFHWSODHCNC-ZIAGYGMSSA-N 1 0 334.464 0.832 20 10 ECCDRO C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000851685619 589413728 /nfs/dbraw/zinc/41/37/28/589413728.db2.gz SHEUEASRHNOLFF-CQSZACIVSA-N 1 0 348.447 0.508 20 10 ECCDRO COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000851688186 589414451 /nfs/dbraw/zinc/41/44/51/589414451.db2.gz SCKANCCMSYSWRV-CZUORRHYSA-N 1 0 348.447 0.490 20 10 ECCDRO COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000851688356 589414733 /nfs/dbraw/zinc/41/47/33/589414733.db2.gz XXQBMIKJVPDHJS-KGLIPLIRSA-N 1 0 346.431 0.258 20 10 ECCDRO COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC3CC[NH2+]CC3)C2)cc1 ZINC000851688367 589414889 /nfs/dbraw/zinc/41/48/89/589414889.db2.gz YELIZHLRLVCXSX-CQSZACIVSA-N 1 0 346.431 0.258 20 10 ECCDRO C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)c1ccc(N2CCOCC2)cc1 ZINC000852862465 589519057 /nfs/dbraw/zinc/51/90/57/589519057.db2.gz FTGXVCZORPZVSV-WFASDCNBSA-N 1 0 332.404 0.804 20 10 ECCDRO COc1ccc(N2CC[C@@H](NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)cc1 ZINC000855233570 589623596 /nfs/dbraw/zinc/62/35/96/589623596.db2.gz ILOBGQNRWATSBJ-CRAIPNDOSA-N 1 0 344.459 0.780 20 10 ECCDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000855695500 589642230 /nfs/dbraw/zinc/64/22/30/589642230.db2.gz OALDXSPCRUARGZ-VURMDHGXSA-N 1 0 335.404 0.589 20 10 ECCDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000856073370 589653773 /nfs/dbraw/zinc/65/37/73/589653773.db2.gz OHORSKTXLGSJAL-LBPRGKRZSA-N 1 0 341.433 0.978 20 10 ECCDRO CN(C)c1ccc(CN(C)S(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000866744015 589766763 /nfs/dbraw/zinc/76/67/63/589766763.db2.gz HJWQOORLPIFKHQ-OAHLLOKOSA-N 1 0 327.450 0.503 20 10 ECCDRO COc1ccc(N2CCCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000861681019 589873605 /nfs/dbraw/zinc/87/36/05/589873605.db2.gz DHZDLEKEAJOPRC-HNNXBMFYSA-N 1 0 348.447 0.905 20 10 ECCDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000861742497 589884796 /nfs/dbraw/zinc/88/47/96/589884796.db2.gz IGZKYACUJRHJAG-KBPBESRZSA-N 1 0 348.447 0.506 20 10 ECCDRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000861743335 589885305 /nfs/dbraw/zinc/88/53/05/589885305.db2.gz SQPOOHRXZWBROS-DZGCQCFKSA-N 1 0 346.431 0.179 20 10 ECCDRO C[C@H]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000861805358 589894168 /nfs/dbraw/zinc/89/41/68/589894168.db2.gz WFUQSCPWHGXRLL-ZFWWWQNUSA-N 1 0 332.448 0.968 20 10 ECCDRO CN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000125958599 590377269 /nfs/dbraw/zinc/37/72/69/590377269.db2.gz FPRZGICPWCQQRJ-UHFFFAOYSA-N 1 0 345.403 0.747 20 10 ECCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000876713980 590402150 /nfs/dbraw/zinc/40/21/50/590402150.db2.gz RODJAZYXIRWOQL-GOSISDBHSA-N 1 0 333.432 0.860 20 10 ECCDRO COC[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)C[NH2+]CCO1 ZINC000876728186 590404789 /nfs/dbraw/zinc/40/47/89/590404789.db2.gz HYALMRAVXJNFAU-GOSISDBHSA-N 1 0 333.432 0.908 20 10 ECCDRO CN(CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)C1CC1 ZINC000881851346 590480515 /nfs/dbraw/zinc/48/05/15/590480515.db2.gz RWMFHLIJKCCRGJ-UHFFFAOYSA-N 1 0 344.459 0.923 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CCC(=O)NC3)cc2)CC1 ZINC000881853389 590481053 /nfs/dbraw/zinc/48/10/53/590481053.db2.gz UQORQZQQLICSLI-MRXNPFEDSA-N 1 0 344.459 0.971 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H]3C(N)=O)cc2)CC1 ZINC000881853118 590481196 /nfs/dbraw/zinc/48/11/96/590481196.db2.gz JVUOPESJPZBOHX-CVEARBPZSA-N 1 0 330.432 0.566 20 10 ECCDRO Cn1cc(CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000883604253 590629510 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332.364 0.674 20 10 ECCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843435568 589066889 /nfs/dbraw/zinc/06/68/89/589066889.db2.gz VWUSSKFGDPOLDE-WBVHZDCISA-N 1 0 334.416 0.879 20 10 ECCDRO CCCNC(=O)CN(C)C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350469 589063232 /nfs/dbraw/zinc/06/32/32/589063232.db2.gz RJTJZRBGOSHRSV-UHFFFAOYSA-N 1 0 332.448 0.883 20 10 ECCDRO COC(=O)C[C@@]1([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)CCOC1 ZINC000839561322 586880503 /nfs/dbraw/zinc/88/05/03/586880503.db2.gz UFJHBKOCFQHVDI-SFHVURJKSA-N 1 0 349.431 0.681 20 10 ECCDRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775369880 586917065 /nfs/dbraw/zinc/91/70/65/586917065.db2.gz BKDCKGRNWFRNJJ-GHMZBOCLSA-N 1 0 339.392 0.912 20 10 ECCDRO COCC1C[NH+](C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000905972739 586925810 /nfs/dbraw/zinc/92/58/10/586925810.db2.gz SSFHUVKKIXGUJN-GOSISDBHSA-N 1 0 349.475 0.756 20 10 ECCDRO COc1cccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1O ZINC000808424590 587154570 /nfs/dbraw/zinc/15/45/70/587154570.db2.gz MTQXTHWDKGQXPH-CYBMUJFWSA-N 1 0 343.449 0.761 20 10 ECCDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827468989 588122342 /nfs/dbraw/zinc/12/23/42/588122342.db2.gz ITBZEAAWPDNQLV-KCQAQPDRSA-N 1 0 332.448 0.988 20 10 ECCDRO COc1ccc(N(C)CC[N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000846053156 589182904 /nfs/dbraw/zinc/18/29/04/589182904.db2.gz SRSSHABTUBUUCY-UHFFFAOYSA-N 1 0 346.431 0.661 20 10 ECCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000846343667 589197570 /nfs/dbraw/zinc/19/75/70/589197570.db2.gz LYDCVNUUOCAXTQ-CYBMUJFWSA-N 1 0 334.420 0.068 20 10 ECCDRO C[NH+](C)CCN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1=O ZINC000846358491 589198137 /nfs/dbraw/zinc/19/81/37/589198137.db2.gz XCBDFEPUDXCLNQ-GQCTYLIASA-N 1 0 333.388 0.343 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1C[C@H](O)C1(C)C)cc2=O ZINC000846955894 589230551 /nfs/dbraw/zinc/23/05/51/589230551.db2.gz JXAIYFCYVJLXNF-RYUDHWBXSA-N 1 0 334.376 0.861 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1C[C@@H](O)C1(C)C)cc2=O ZINC000846955893 589230659 /nfs/dbraw/zinc/23/06/59/589230659.db2.gz JXAIYFCYVJLXNF-NWDGAFQWSA-N 1 0 334.376 0.861 20 10 ECCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@@H](C)OC)CC2)cc1 ZINC000849328628 589325763 /nfs/dbraw/zinc/32/57/63/589325763.db2.gz HTPIYUDKQHKHMW-WBVHZDCISA-N 1 0 337.464 0.803 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)ccc21 ZINC000851685610 589413681 /nfs/dbraw/zinc/41/36/81/589413681.db2.gz UNKVKBVXCLRWCO-HUUCEWRRSA-N 1 0 348.422 0.583 20 10 ECCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000852857134 589518332 /nfs/dbraw/zinc/51/83/32/589518332.db2.gz JTNGFXDKTAQCEM-SJORKVTESA-N 1 0 333.432 0.845 20 10 ECCDRO O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000852868545 589520295 /nfs/dbraw/zinc/52/02/95/589520295.db2.gz IRWKUGBDSORNRS-KXBFYZLASA-N 1 0 345.443 0.500 20 10 ECCDRO CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CC[N@H+](C)C1 ZINC000855360288 589627624 /nfs/dbraw/zinc/62/76/24/589627624.db2.gz JYKHNBIXSOIQHX-LBPRGKRZSA-N 1 0 341.433 0.930 20 10 ECCDRO CN(C)c1ccc(CNC(=O)CN2CCC([NH2+]CCO)CC2)cc1 ZINC000866683400 589758132 /nfs/dbraw/zinc/75/81/32/589758132.db2.gz YJLYEANEERWLNK-UHFFFAOYSA-N 1 0 334.464 0.415 20 10 ECCDRO C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000861566877 589864576 /nfs/dbraw/zinc/86/45/76/589864576.db2.gz UTMOGXCNFVYGRC-GOEBONIOSA-N 1 0 348.447 0.872 20 10 ECCDRO C[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC000861566876 589864679 /nfs/dbraw/zinc/86/46/79/589864679.db2.gz UTMOGXCNFVYGRC-GDBMZVCRSA-N 1 0 348.447 0.872 20 10 ECCDRO COc1ccc(N2CC[C@H](NC(=O)NCC[N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000875714714 590323967 /nfs/dbraw/zinc/32/39/67/590323967.db2.gz DAVYOYYBPGIJHX-GOEBONIOSA-N 1 0 348.447 0.640 20 10 ECCDRO Cn1ncc(C[NH3+])c1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000876726381 590405000 /nfs/dbraw/zinc/40/50/00/590405000.db2.gz DUUFEVPZDYISSF-UHFFFAOYSA-N 1 0 329.404 0.645 20 10 ECCDRO COC(=O)CNC(=O)C[NH2+]Cc1cc(Br)ccc1O ZINC000877706594 590478185 /nfs/dbraw/zinc/47/81/85/590478185.db2.gz OJTBHPYBHHSKHC-UHFFFAOYSA-N 1 0 331.166 0.534 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCNC(=O)CC3)cc2)CC1 ZINC000881853067 590481102 /nfs/dbraw/zinc/48/11/02/590481102.db2.gz IMJVQEKLSDODRB-INIZCTEOSA-N 1 0 344.459 0.971 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)CN3CCOCC3)cc2)CC1 ZINC000881852307 590481124 /nfs/dbraw/zinc/48/11/24/590481124.db2.gz LFJXKTIDNZCXSK-UHFFFAOYSA-N 1 0 332.448 0.387 20 10 ECCDRO COCc1nc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000883146345 590607392 /nfs/dbraw/zinc/60/73/92/590607392.db2.gz JIGQKHCSZAZVGS-UHFFFAOYSA-N 1 0 345.403 0.898 20 10 ECCDRO CO[C@@H]1COC[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883759070 590661348 /nfs/dbraw/zinc/66/13/48/590661348.db2.gz JKKZIAYWWCEWHF-IAGOWNOFSA-N 1 0 348.447 0.651 20 10 ECCDRO CCN(C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000887066281 590935834 /nfs/dbraw/zinc/93/58/34/590935834.db2.gz IJWPCPYFHSNPSB-INIZCTEOSA-N 1 0 332.448 0.921 20 10 ECCDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)CS(C)(=O)=O)CC2)cc1 ZINC000922821992 611362044 /nfs/dbraw/zinc/36/20/44/611362044.db2.gz FDLJCEWMUMVSFX-OAHLLOKOSA-N 1 0 342.461 0.659 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CN(C)C(=O)N2)[NH+](C)C)cc1 ZINC000891249787 608673666 /nfs/dbraw/zinc/67/36/66/608673666.db2.gz SOYGESOPUKXYJW-LSDHHAIUSA-N 1 0 333.436 0.495 20 10 ECCDRO C[C@H]1[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@@H+]1C ZINC000928442823 608740855 /nfs/dbraw/zinc/74/08/55/608740855.db2.gz RBBXTTHILQPQQQ-JOYOIKCWSA-N 1 0 327.406 0.586 20 10 ECCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CNCCS2(=O)=O)c1 ZINC000925797144 608984169 /nfs/dbraw/zinc/98/41/69/608984169.db2.gz PCYFJOMWZDNDKF-YPMHNXCESA-N 1 0 328.434 0.828 20 10 ECCDRO COCC[N@@H+]1CC[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000924601998 609049075 /nfs/dbraw/zinc/04/90/75/609049075.db2.gz ZGSLRVRGLUIWHA-AWEZNQCLSA-N 1 0 333.388 0.877 20 10 ECCDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000911111446 609804603 /nfs/dbraw/zinc/80/46/03/609804603.db2.gz HGRDTKNQMPTEIR-CJNGLKHVSA-N 1 0 344.459 0.657 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911127294 609809235 /nfs/dbraw/zinc/80/92/35/609809235.db2.gz XCXFEPBYQHVJED-OAHLLOKOSA-N 1 0 332.448 0.791 20 10 ECCDRO CC(=O)NC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000179711870 609888443 /nfs/dbraw/zinc/88/84/43/609888443.db2.gz QZQAIXWNDQLYGY-SFHVURJKSA-N 1 0 333.432 0.860 20 10 ECCDRO COc1ccc(N2CCCN(S(=O)(=O)C3C[NH2+]C3)CC2)cc1 ZINC000923597265 609920292 /nfs/dbraw/zinc/92/02/92/609920292.db2.gz MLSWBYYWQBFLLN-UHFFFAOYSA-N 1 0 325.434 0.509 20 10 ECCDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000912709571 609991237 /nfs/dbraw/zinc/99/12/37/609991237.db2.gz PGKOQQMYUAHROV-PKOBYXMFSA-N 1 0 347.459 0.719 20 10 ECCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cn3cnnn3)C2)cc1C ZINC001026672521 741663711 /nfs/dbraw/zinc/66/37/11/741663711.db2.gz OYJWRVOKHJVPBO-OAHLLOKOSA-N 1 0 344.419 0.628 20 10 ECCDRO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013811 743192769 /nfs/dbraw/zinc/19/27/69/743192769.db2.gz IHJDPWNDTBPRQN-MNOVXSKESA-N 1 0 346.391 0.775 20 10 ECCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)c3nnn(C)n3)C2)cc1C ZINC000984587213 746679537 /nfs/dbraw/zinc/67/95/37/746679537.db2.gz XEZXJRYIIVRPQD-HDJSIYSDSA-N 1 0 344.419 0.825 20 10 ECCDRO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1)C(N)=O ZINC001021116435 752554354 /nfs/dbraw/zinc/55/43/54/752554354.db2.gz GCNKKKFFVKACKK-GGZOMVNGSA-N 1 0 332.364 0.573 20 10 ECCDRO COc1cc(C(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)cc(OC)n1 ZINC000996379349 757493299 /nfs/dbraw/zinc/49/32/99/757493299.db2.gz QGSRWAIPHRDENE-UHFFFAOYSA-N 1 0 348.403 0.135 20 10 ECCDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnn(C)c3)C2)cc(OC)n1 ZINC001020352303 772482852 /nfs/dbraw/zinc/48/28/52/772482852.db2.gz HWMAVPPGGXGMRW-HDJSIYSDSA-N 1 0 345.403 0.883 20 10 ECCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CNC(=O)N2)cc1C ZINC001045175179 775091037 /nfs/dbraw/zinc/09/10/37/775091037.db2.gz BVKGLNGMCNKMRW-GJZGRUSLSA-N 1 0 346.431 0.766 20 10 ECCDRO CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386988 436090119 /nfs/dbraw/zinc/09/01/19/436090119.db2.gz SMLHGAGWSAUFLJ-UHFFFAOYSA-N 1 0 334.420 0.801 20 10 ECCDRO C[NH+](C)[C@H](CNC=C1C(=O)NC(=S)NC1=O)c1cccc(F)c1 ZINC000029006156 436193431 /nfs/dbraw/zinc/19/34/31/436193431.db2.gz JSTONWMFOPAXIC-GFCCVEGCSA-N 1 0 336.392 0.433 20 10 ECCDRO COc1cc(O)c(C[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1OC ZINC000271797141 436694228 /nfs/dbraw/zinc/69/42/28/436694228.db2.gz KDLJOIYBHCFLJP-CQSZACIVSA-N 1 0 340.420 0.534 20 10 ECCDRO Cc1cccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1O ZINC000271869041 436696238 /nfs/dbraw/zinc/69/62/38/436696238.db2.gz MCTDPOWMQFAOPK-CABCVRRESA-N 1 0 340.445 0.288 20 10 ECCDRO C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000283846349 437033043 /nfs/dbraw/zinc/03/30/43/437033043.db2.gz BJYUHICPOXYXEH-UHFFFAOYSA-N 1 0 342.443 0.889 20 10 ECCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CC(N)=O)CC2)cc1 ZINC000265797286 437193028 /nfs/dbraw/zinc/19/30/28/437193028.db2.gz JTUJQINTLLQRBQ-UHFFFAOYSA-N 1 0 334.420 0.199 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2[C@@H](CO)CC[C@@H]2CO)cc1 ZINC000287538691 437203254 /nfs/dbraw/zinc/20/32/54/437203254.db2.gz VVBORNVBVCDIMX-IAGOWNOFSA-N 1 0 335.448 0.529 20 10 ECCDRO Cc1cccc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1O ZINC000181346924 437317331 /nfs/dbraw/zinc/31/73/31/437317331.db2.gz PPJWILAWXYZABU-MRXNPFEDSA-N 1 0 333.432 0.723 20 10 ECCDRO COC(=O)/C=C/c1ccc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000292331443 437680781 /nfs/dbraw/zinc/68/07/81/437680781.db2.gz NBWUCVIWRGCOSH-CJKAQPIMSA-N 1 0 335.360 0.892 20 10 ECCDRO O=S(=O)(NC1CC1)[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000372238272 438055113 /nfs/dbraw/zinc/05/51/13/438055113.db2.gz KSQZUMGGPFTPGN-LBPRGKRZSA-N 1 0 340.401 0.777 20 10 ECCDRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000729526178 578296719 /nfs/dbraw/zinc/29/67/19/578296719.db2.gz ZBFQDABQZKEXIO-JKSUJKDBSA-N 1 0 344.459 0.956 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000785424921 578768636 /nfs/dbraw/zinc/76/86/36/578768636.db2.gz WVAYXDPFMHXAKR-INIZCTEOSA-N 1 0 344.459 0.969 20 10 ECCDRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000785428973 578768723 /nfs/dbraw/zinc/76/87/23/578768723.db2.gz UISRYRUVHBMVLQ-DZGCQCFKSA-N 1 0 332.448 0.968 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC000840975662 588975585 /nfs/dbraw/zinc/97/55/85/588975585.db2.gz JOTWKDADTCIHCG-CYBMUJFWSA-N 1 0 330.436 0.859 20 10 ECCDRO C[C@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)[NH+]1CCCCC1 ZINC000842014254 589008051 /nfs/dbraw/zinc/00/80/51/589008051.db2.gz AZAPXWPQXVSVMP-CQSZACIVSA-N 1 0 332.448 0.918 20 10 ECCDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000842036669 589009155 /nfs/dbraw/zinc/00/91/55/589009155.db2.gz QMQYVDDPBIFATR-DZGCQCFKSA-N 1 0 332.448 0.955 20 10 ECCDRO C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000842036226 589009217 /nfs/dbraw/zinc/00/92/17/589009217.db2.gz LSBBHGTWVCNWKJ-UKRRQHHQSA-N 1 0 332.448 0.873 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000842070056 589010692 /nfs/dbraw/zinc/01/06/92/589010692.db2.gz LCHDNFKUXLXBSD-LSDHHAIUSA-N 1 0 346.475 0.915 20 10 ECCDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000842091447 589011469 /nfs/dbraw/zinc/01/14/69/589011469.db2.gz CUNAWDYEENNJBR-QWRGUYRKSA-N 1 0 342.490 0.856 20 10 ECCDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000842170472 589016678 /nfs/dbraw/zinc/01/66/78/589016678.db2.gz GULIBYXKDUFVGB-GOEBONIOSA-N 1 0 342.443 0.875 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)NC2CCC([NH3+])CC2)cc1F ZINC000842148720 589014384 /nfs/dbraw/zinc/01/43/84/589014384.db2.gz NWTASWIIMWOHOV-UHFFFAOYSA-N 1 0 336.411 0.894 20 10 ECCDRO CCC[NH2+]CCNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842149558 589014786 /nfs/dbraw/zinc/01/47/86/589014786.db2.gz AEWNXCPVAFZEMD-UHFFFAOYSA-N 1 0 332.448 0.801 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)ccc21 ZINC000842150002 589014859 /nfs/dbraw/zinc/01/48/59/589014859.db2.gz KYEAQLDLDMPUKY-INIZCTEOSA-N 1 0 344.459 0.944 20 10 ECCDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842150979 589015055 /nfs/dbraw/zinc/01/50/55/589015055.db2.gz YUXWUALKOFFQOR-ZDUSSCGKSA-N 1 0 330.432 0.506 20 10 ECCDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000842154306 589015312 /nfs/dbraw/zinc/01/53/12/589015312.db2.gz SMKIMQILNLJDKO-AWEZNQCLSA-N 1 0 332.448 0.745 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000842155022 589015359 /nfs/dbraw/zinc/01/53/59/589015359.db2.gz ZNQAJEMDVWWWSH-ZIAGYGMSSA-N 1 0 332.448 0.886 20 10 ECCDRO C[NH2+]CCCNC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842223905 589021968 /nfs/dbraw/zinc/02/19/68/589021968.db2.gz IJGAZNCSHZUKHG-HNNXBMFYSA-N 1 0 349.431 0.626 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000842226637 589022569 /nfs/dbraw/zinc/02/25/69/589022569.db2.gz JXRWQWGZSZWJNF-HNNXBMFYSA-N 1 0 332.448 0.969 20 10 ECCDRO COc1ccc(N2CCCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)cc1 ZINC000842254144 589024836 /nfs/dbraw/zinc/02/48/36/589024836.db2.gz SMKSCJPDHPLNMT-CQSZACIVSA-N 1 0 348.447 0.587 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@H](O)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000891247051 586088975 /nfs/dbraw/zinc/08/89/75/586088975.db2.gz GYDGTBPMMWIJQS-IAGOWNOFSA-N 1 0 345.447 0.939 20 10 ECCDRO Cc1nn(C)cc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786400 589036631 /nfs/dbraw/zinc/03/66/31/589036631.db2.gz ZNHNSNNMKFCXNY-CQSZACIVSA-N 1 0 337.449 0.773 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@]3(C)CCNC3=O)cc2)CC1 ZINC000896444870 586242211 /nfs/dbraw/zinc/24/22/11/586242211.db2.gz PGKFYSCTYZEZJD-SFHVURJKSA-N 1 0 345.447 0.516 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CC(=O)N(C)C2)[NH+](C)C)cc1 ZINC000893460233 586333820 /nfs/dbraw/zinc/33/38/20/586333820.db2.gz FBQYGPWMAUHOMG-HOCLYGCPSA-N 1 0 347.463 0.885 20 10 ECCDRO COc1cc(O)c(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1OC ZINC000843428017 589066988 /nfs/dbraw/zinc/06/69/88/589066988.db2.gz FKCWNNFJDGNDAK-LBPRGKRZSA-N 1 0 337.420 0.961 20 10 ECCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000843435933 589066704 /nfs/dbraw/zinc/06/67/04/589066704.db2.gz ZRUCHWDAXWSMKI-VXGBXAGGSA-N 1 0 325.361 0.765 20 10 ECCDRO COC[C@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775369882 586916876 /nfs/dbraw/zinc/91/68/76/586916876.db2.gz BKDCKGRNWFRNJJ-QWRGUYRKSA-N 1 0 339.392 0.912 20 10 ECCDRO COC[C@@H](C)NC(=O)NC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775369881 586917074 /nfs/dbraw/zinc/91/70/74/586917074.db2.gz BKDCKGRNWFRNJJ-MNOVXSKESA-N 1 0 339.392 0.912 20 10 ECCDRO CN1CC[N@H+](C)CC(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000906385816 586947063 /nfs/dbraw/zinc/94/70/63/586947063.db2.gz SZZYABCULLWAEC-UHFFFAOYSA-N 1 0 346.475 0.633 20 10 ECCDRO O=C1COc2cc([N+](=O)[O-])c(N3CCC([NH2+]CCO)CC3)cc2N1 ZINC000811824393 587227469 /nfs/dbraw/zinc/22/74/69/587227469.db2.gz VERGKMRZBVXGCN-UHFFFAOYSA-N 1 0 336.348 0.476 20 10 ECCDRO COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000818677207 587445417 /nfs/dbraw/zinc/44/54/17/587445417.db2.gz RCFBLKQLIPNNID-KBPBESRZSA-N 1 0 346.431 0.116 20 10 ECCDRO NC(=O)NC(=O)CC[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818968034 587462539 /nfs/dbraw/zinc/46/25/39/587462539.db2.gz ITHQQEILBIBPOS-CYBMUJFWSA-N 1 0 347.419 0.063 20 10 ECCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000819028719 587464705 /nfs/dbraw/zinc/46/47/05/587464705.db2.gz OTDYZKDYXZCNKD-SJLPKXTDSA-N 1 0 349.475 0.947 20 10 ECCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N3)cc2F)CC1 ZINC000826718890 588080755 /nfs/dbraw/zinc/08/07/55/588080755.db2.gz AZUNKCLACKEBRD-CQSZACIVSA-N 1 0 334.395 0.472 20 10 ECCDRO C[C@H]([NH3+])CCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000827390778 588118121 /nfs/dbraw/zinc/11/81/21/588118121.db2.gz UOVPSRZOWOCWHB-ZDUSSCGKSA-N 1 0 339.461 0.665 20 10 ECCDRO CC(C)(C[NH3+])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827469099 588122208 /nfs/dbraw/zinc/12/22/08/588122208.db2.gz MFNSKRFALZKXON-CQSZACIVSA-N 1 0 332.448 0.989 20 10 ECCDRO CC(C)(C[NH3+])C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469098 588122246 /nfs/dbraw/zinc/12/22/46/588122246.db2.gz MFNSKRFALZKXON-AWEZNQCLSA-N 1 0 332.448 0.989 20 10 ECCDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827468596 588122367 /nfs/dbraw/zinc/12/23/67/588122367.db2.gz ARVZNVNTRADACD-HIFRSBDPSA-N 1 0 332.448 0.860 20 10 ECCDRO COc1ccc(O)c([C@H](C)NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000828668000 588197916 /nfs/dbraw/zinc/19/79/16/588197916.db2.gz XQHXHFJYPYQFDQ-SMDDNHRTSA-N 1 0 335.404 0.836 20 10 ECCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CNC(=O)c2cccnc2)cc1 ZINC000832265943 588477354 /nfs/dbraw/zinc/47/73/54/588477354.db2.gz CEANKRQQXYDRJA-INIZCTEOSA-N 1 0 341.415 0.694 20 10 ECCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000832292521 588477804 /nfs/dbraw/zinc/47/78/04/588477804.db2.gz IBQVXPCYFCIUCX-CZUORRHYSA-N 1 0 330.432 0.880 20 10 ECCDRO CO[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000832286399 588477934 /nfs/dbraw/zinc/47/79/34/588477934.db2.gz ZJPCBXVTBXHAIH-HZPDHXFCSA-N 1 0 331.420 0.990 20 10 ECCDRO C[NH+](C)CCN1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1=O ZINC000844713737 589117526 /nfs/dbraw/zinc/11/75/26/589117526.db2.gz FITMAXRTDAQKDY-HNNXBMFYSA-N 1 0 335.404 0.024 20 10 ECCDRO COc1ccc(N2CCN(C(=O)[C@H](N)CC[NH+](C)C)CC2)cc1F ZINC000846674204 589218428 /nfs/dbraw/zinc/21/84/28/589218428.db2.gz KCXQUCSAXJBALM-OAHLLOKOSA-N 1 0 338.427 0.762 20 10 ECCDRO OCCO[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000850357803 589364930 /nfs/dbraw/zinc/36/49/30/589364930.db2.gz VPYXRVBCEAOUDU-SFHVURJKSA-N 1 0 336.432 0.781 20 10 ECCDRO CCn1nncc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850356546 589365046 /nfs/dbraw/zinc/36/50/46/589365046.db2.gz UQFLZPQZMLTFOC-UHFFFAOYSA-N 1 0 349.460 0.823 20 10 ECCDRO CC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851688301 589414713 /nfs/dbraw/zinc/41/47/13/589414713.db2.gz WKKMQDBLVFBBCA-ZDUSSCGKSA-N 1 0 334.420 0.116 20 10 ECCDRO COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C2)cc1 ZINC000851689167 589415129 /nfs/dbraw/zinc/41/51/29/589415129.db2.gz LNWWHVZIZRWPMP-CHWSQXEVSA-N 1 0 334.420 0.244 20 10 ECCDRO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852843867 589516858 /nfs/dbraw/zinc/51/68/58/589516858.db2.gz ITUCJZVBMMGGOK-SWLSCSKDSA-N 1 0 335.404 0.671 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)C[C@H]1C[C@@H](O)C1)cc2=O ZINC000859969258 589732687 /nfs/dbraw/zinc/73/26/87/589732687.db2.gz CSNOKBDJDVDEMS-KLPPZKSPSA-N 1 0 334.376 0.814 20 10 ECCDRO Nc1nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc(N)[nH+]1 ZINC000858355538 589743950 /nfs/dbraw/zinc/74/39/50/589743950.db2.gz QFGAZINZMRFTEC-UHFFFAOYSA-N 1 0 333.371 0.748 20 10 ECCDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000861564284 589864335 /nfs/dbraw/zinc/86/43/35/589864335.db2.gz JWCOKEDSZQOKHO-HIFRSBDPSA-N 1 0 347.463 0.877 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861741701 589884814 /nfs/dbraw/zinc/88/48/14/589884814.db2.gz WGATWQYGFIZWFV-GRDNDAEWSA-N 1 0 346.475 0.975 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1F ZINC000861750922 589886987 /nfs/dbraw/zinc/88/69/87/589886987.db2.gz XGCWDHRUSKVTIF-OAHLLOKOSA-N 1 0 348.422 0.909 20 10 ECCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000868403212 589902411 /nfs/dbraw/zinc/90/24/11/589902411.db2.gz ZYIWQVPVCBTWKW-UONOGXRCSA-N 1 0 348.447 0.538 20 10 ECCDRO CC(C)(O)C[C@@H](O)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000872199648 590103788 /nfs/dbraw/zinc/10/37/88/590103788.db2.gz RDYCSJVSNJSSFK-DOTOQJQBSA-N 1 0 349.475 1.000 20 10 ECCDRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2Cc3cccc(O)c3C2)n1 ZINC000874100570 590221091 /nfs/dbraw/zinc/22/10/91/590221091.db2.gz PVDUWQAMBWWWTB-UHFFFAOYSA-N 1 0 343.387 0.631 20 10 ECCDRO COc1ccc(N2CC[C@@H](NC(=O)NCC[N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000875714712 590324313 /nfs/dbraw/zinc/32/43/13/590324313.db2.gz DAVYOYYBPGIJHX-GDBMZVCRSA-N 1 0 348.447 0.640 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(CO)(CO)CC2)cc1 ZINC000879969104 590355870 /nfs/dbraw/zinc/35/58/70/590355870.db2.gz VUPXSLOBWRJCMC-UHFFFAOYSA-N 1 0 349.475 0.778 20 10 ECCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c(C[NH3+])cnn1C ZINC000876712909 590401125 /nfs/dbraw/zinc/40/11/25/590401125.db2.gz FJPSUIPHKJGQJW-UHFFFAOYSA-N 1 0 343.431 0.988 20 10 ECCDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000876728986 590404888 /nfs/dbraw/zinc/40/48/88/590404888.db2.gz AZLCDRVYUOVKNK-ZDUSSCGKSA-N 1 0 339.461 0.536 20 10 ECCDRO COc1ccc(N2CC[C@H](NC(=O)c3cnc(C[NH3+])nc3)C2)cc1 ZINC000876960022 590429459 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C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001078253616 782566002 /nfs/dbraw/zinc/56/60/02/782566002.db2.gz JNJGDGBANKGQHL-OASPWFOLSA-N 1 0 335.364 0.005 20 10 ECCDRO COc1ccc(N2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)cc1 ZINC000324868126 767299087 /nfs/dbraw/zinc/29/90/87/767299087.db2.gz IDYDOFWBVOMKBU-UHFFFAOYSA-N 1 0 330.392 0.208 20 10 ECCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)Cn2cnnn2)cc1C ZINC001044915786 774727402 /nfs/dbraw/zinc/72/74/02/774727402.db2.gz UISSKTKCTHFQFX-HNNXBMFYSA-N 1 0 344.419 0.771 20 10 ECCDRO CC(C)[N@H+](CC(=O)N1CCNC(=O)C1)Cc1ccc(N(C)C)cc1 ZINC000298744563 202348637 /nfs/dbraw/zinc/34/86/37/202348637.db2.gz YTIGZEZHRYIOJL-UHFFFAOYSA-N 1 0 332.448 0.921 20 10 ECCDRO CCOc1ccc(O)c(C[NH+]2CCC(NS(=O)(=O)NC)CC2)c1 ZINC000291685151 437619144 /nfs/dbraw/zinc/61/91/44/437619144.db2.gz XNKINNBLRQDNLV-UHFFFAOYSA-N 1 0 343.449 0.809 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000269297718 436654708 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CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000281278586 436959886 /nfs/dbraw/zinc/95/98/86/436959886.db2.gz WBDZWKJOSVBJJZ-SFHVURJKSA-N 1 0 332.448 0.827 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000283656212 437031100 /nfs/dbraw/zinc/03/11/00/437031100.db2.gz XZRZBJPMYYFTAV-INIZCTEOSA-N 1 0 332.448 0.921 20 10 ECCDRO O=C1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1CCN1CCOCC1 ZINC000296986352 437000500 /nfs/dbraw/zinc/00/05/00/437000500.db2.gz SCLGMRGAGXSLOM-HOTGVXAUSA-N 1 0 345.443 0.902 20 10 ECCDRO COCC[NH2+]CCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000419710689 438368875 /nfs/dbraw/zinc/36/88/75/438368875.db2.gz QYXFSYZVCAKRKE-UHFFFAOYSA-N 1 0 346.431 0.455 20 10 ECCDRO C[C@@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[NH+](C)C ZINC000750609933 579355434 /nfs/dbraw/zinc/35/54/34/579355434.db2.gz WQNDIKMZDWLRKB-ZDUSSCGKSA-N 1 0 339.461 0.488 20 10 ECCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000779217888 579314321 /nfs/dbraw/zinc/31/43/21/579314321.db2.gz JJRCOJJWKVGBTM-QZTJIDSGSA-N 1 0 349.475 0.635 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000842069868 589010570 /nfs/dbraw/zinc/01/05/70/589010570.db2.gz FVJQUBWIFXNRKF-UONOGXRCSA-N 1 0 334.464 0.962 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000842070714 589010757 /nfs/dbraw/zinc/01/07/57/589010757.db2.gz RFWDTOWDXNNMAD-CQSZACIVSA-N 1 0 346.475 0.976 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000842071307 589011010 /nfs/dbraw/zinc/01/10/10/589011010.db2.gz ZBBSJWRFNDFZHX-ZDUSSCGKSA-N 1 0 334.464 0.962 20 10 ECCDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000842093297 589011370 /nfs/dbraw/zinc/01/13/70/589011370.db2.gz QHNYTBWZOKTAFC-AWEZNQCLSA-N 1 0 342.490 0.939 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])cc1F ZINC000842147990 589014362 /nfs/dbraw/zinc/01/43/62/589014362.db2.gz KIOAGWYZXWQWKG-ZDUSSCGKSA-N 1 0 336.411 0.848 20 10 ECCDRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC000842149030 589014429 /nfs/dbraw/zinc/01/44/29/589014429.db2.gz SSLJYMNFJYVSTJ-YPMHNXCESA-N 1 0 336.411 0.765 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000842151848 589015090 /nfs/dbraw/zinc/01/50/90/589015090.db2.gz DBQZPVGTQOEIHE-UHFFFAOYSA-N 1 0 332.448 0.875 20 10 ECCDRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170942 589016484 /nfs/dbraw/zinc/01/64/84/589016484.db2.gz OVYGJKFLPCKLOO-CQSZACIVSA-N 1 0 330.432 0.793 20 10 ECCDRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000842170944 589016670 /nfs/dbraw/zinc/01/66/70/589016670.db2.gz OWADVUJNHJMFJE-MRXNPFEDSA-N 1 0 342.443 0.876 20 10 ECCDRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000842171217 589016812 /nfs/dbraw/zinc/01/68/12/589016812.db2.gz QGIYSJDZUKIREI-HNNXBMFYSA-N 1 0 328.416 0.629 20 10 ECCDRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842171502 589017049 /nfs/dbraw/zinc/01/70/49/589017049.db2.gz SWKAFUYOKVSSKY-UHFFFAOYSA-N 1 0 330.432 0.747 20 10 ECCDRO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842214439 589021520 /nfs/dbraw/zinc/02/15/20/589021520.db2.gz SCSAPFYFNQJJMM-WBVHZDCISA-N 1 0 342.443 0.723 20 10 ECCDRO O=C(N[C@H]1CC[NH2+]C1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842224492 589022262 /nfs/dbraw/zinc/02/22/62/589022262.db2.gz CHIXDDOZVXXAJE-AWEZNQCLSA-N 1 0 343.383 0.992 20 10 ECCDRO C[C@H]([NH3+])CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842229059 589022711 /nfs/dbraw/zinc/02/27/11/589022711.db2.gz HRWDOZCJQJTBNN-LBPRGKRZSA-N 1 0 331.372 0.977 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCNC(=O)C2)[NH+](C)C)cc1 ZINC000891254511 586156867 /nfs/dbraw/zinc/15/68/67/586156867.db2.gz YOCQUOCIKLRCOA-ZBFHGGJFSA-N 1 0 332.448 0.998 20 10 ECCDRO CN(C)c1cc(F)c(C[N@@H+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)cc1F ZINC000895312825 586175803 /nfs/dbraw/zinc/17/58/03/586175803.db2.gz TUHLVDDYIKMMHT-AOOOYVTPSA-N 1 0 326.347 0.049 20 10 ECCDRO CN(C)c1cc(F)c(C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1F ZINC000895312827 586176083 /nfs/dbraw/zinc/17/60/83/586176083.db2.gz TUHLVDDYIKMMHT-UWVGGRQHSA-N 1 0 326.347 0.049 20 10 ECCDRO CCNC(=O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891587559 586180077 /nfs/dbraw/zinc/18/00/77/586180077.db2.gz DMVORIUSWLUUSP-HNNXBMFYSA-N 1 0 335.452 0.791 20 10 ECCDRO C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786160 589036670 /nfs/dbraw/zinc/03/66/70/589036670.db2.gz UMHHJRWLZOEWFJ-TUKIKUTGSA-N 1 0 327.450 0.849 20 10 ECCDRO COc1cc(O)c(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1OC ZINC000897618879 586352017 /nfs/dbraw/zinc/35/20/17/586352017.db2.gz JPZFGUORFCMQSZ-TXEJJXNPSA-N 1 0 327.402 0.886 20 10 ECCDRO COC(=O)[C@H]1[C@@H](O)CCCN1Cc1ccc(OC)c(OC)c1O ZINC000893868946 586364353 /nfs/dbraw/zinc/36/43/53/586364353.db2.gz XRSUNPRANNQLHG-WCQYABFASA-N 1 0 325.361 0.908 20 10 ECCDRO O=C1NC(=O)C2(CN(Cc3cccc(Br)c3[O-])C2)N1 ZINC000897907275 586381403 /nfs/dbraw/zinc/38/14/03/586381403.db2.gz VHTRWRBGTAEADV-UHFFFAOYSA-N 1 0 326.150 0.549 20 10 ECCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]23CCC(=O)N2CCS3)cc1 ZINC000843298803 589060202 /nfs/dbraw/zinc/06/02/02/589060202.db2.gz QBSKHQUUMBQKOM-WMLDXEAASA-N 1 0 348.472 0.934 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](O)C1(C)C)cc2=O ZINC000812864699 587244014 /nfs/dbraw/zinc/24/40/14/587244014.db2.gz IITCJAWUMVLIJJ-GFCCVEGCSA-N 1 0 334.376 0.957 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000817918047 587391641 /nfs/dbraw/zinc/39/16/41/587391641.db2.gz GQQRAENUNVLFFY-SFHVURJKSA-N 1 0 332.448 0.908 20 10 ECCDRO CN(CC[NH3+])C(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000817915215 587391685 /nfs/dbraw/zinc/39/16/85/587391685.db2.gz JDEVJXXDVVYFTE-AWEZNQCLSA-N 1 0 335.404 0.317 20 10 ECCDRO NC(=O)NC(=O)CC[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000818968035 587462599 /nfs/dbraw/zinc/46/25/99/587462599.db2.gz ITHQQEILBIBPOS-ZDUSSCGKSA-N 1 0 347.419 0.063 20 10 ECCDRO COCCONC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819272824 587475147 /nfs/dbraw/zinc/47/51/47/587475147.db2.gz ILIDEAIDROFNCT-MRXNPFEDSA-N 1 0 339.436 0.346 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)cc1 ZINC000829507020 588327542 /nfs/dbraw/zinc/32/75/42/588327542.db2.gz ZWFXMRQIFXRVEQ-QAPCUYQASA-N 1 0 346.475 0.931 20 10 ECCDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CC(=O)N1 ZINC000831561081 588433634 /nfs/dbraw/zinc/43/36/34/588433634.db2.gz IHBNATDVNDAEEM-QGZVFWFLSA-N 1 0 342.443 0.723 20 10 ECCDRO CC(C)NC(=O)CN(C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278099 588477635 /nfs/dbraw/zinc/47/76/35/588477635.db2.gz ADPBIEPYPJCZFJ-MRXNPFEDSA-N 1 0 349.479 0.325 20 10 ECCDRO C[NH2+]C[C@H]1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000844219201 589103567 /nfs/dbraw/zinc/10/35/67/589103567.db2.gz HWLRWGKQINIHGB-MRXNPFEDSA-N 1 0 346.475 0.885 20 10 ECCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000846362357 589198091 /nfs/dbraw/zinc/19/80/91/589198091.db2.gz IHQGXJIOUMGPQB-ZDUSSCGKSA-N 1 0 334.420 0.149 20 10 ECCDRO C[NH+](C)CCN1CCN(C(=O)c2c(F)ccc(O)c2O)CC1=O ZINC000846660756 589217355 /nfs/dbraw/zinc/21/73/55/589217355.db2.gz XWPJYNWAUHEWKP-UHFFFAOYSA-N 1 0 325.340 0.083 20 10 ECCDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC(=O)N3)cc2F)CC1 ZINC000106829855 589245355 /nfs/dbraw/zinc/24/53/55/589245355.db2.gz PYWRQLPXOOEAEN-HNNXBMFYSA-N 1 0 348.422 0.862 20 10 ECCDRO [NH3+][C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CC[C@H]1F ZINC000851686211 589413867 /nfs/dbraw/zinc/41/38/67/589413867.db2.gz XBCDTDDJWANGGS-NXEZZACHSA-N 1 0 346.453 0.639 20 10 ECCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000851686260 589413945 /nfs/dbraw/zinc/41/39/45/589413945.db2.gz XNWGEOAICAJHEF-KBPBESRZSA-N 1 0 348.447 0.425 20 10 ECCDRO COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000851688358 589414906 /nfs/dbraw/zinc/41/49/06/589414906.db2.gz XXQBMIKJVPDHJS-ZIAGYGMSSA-N 1 0 346.431 0.258 20 10 ECCDRO C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851689597 589415092 /nfs/dbraw/zinc/41/50/92/589415092.db2.gz RCUFTFZMKLQZRI-CYBMUJFWSA-N 1 0 348.447 0.117 20 10 ECCDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000852825479 589515327 /nfs/dbraw/zinc/51/53/27/589515327.db2.gz KZGOOWYHYOZOCE-QGZVFWFLSA-N 1 0 332.448 0.969 20 10 ECCDRO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C=C1CC[NH2+]CC1)CC2 ZINC000852847132 589517417 /nfs/dbraw/zinc/51/74/17/589517417.db2.gz ONKBPTHNMBIXET-UHFFFAOYSA-N 1 0 335.429 0.794 20 10 ECCDRO [NH3+]C[C@H]1CC(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)=NO1 ZINC000852916905 589525531 /nfs/dbraw/zinc/52/55/31/589525531.db2.gz SWZUHJUQWNDENS-OAHLLOKOSA-N 1 0 332.404 0.368 20 10 ECCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)N(C)CCC[NH3+])cc1 ZINC000852921214 589526405 /nfs/dbraw/zinc/52/64/05/589526405.db2.gz KECOBKSJUAQXFQ-UHFFFAOYSA-N 1 0 336.436 0.397 20 10 ECCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H]3C[C@H](O)C3)CC2)cc1 ZINC000853130979 589532990 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COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000819028717 587464554 /nfs/dbraw/zinc/46/45/54/587464554.db2.gz OTDYZKDYXZCNKD-AEFFLSMTSA-N 1 0 349.475 0.947 20 10 ECCDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000826707762 588079950 /nfs/dbraw/zinc/07/99/50/588079950.db2.gz XNTRZXJEQPHHCQ-OAHLLOKOSA-N 1 0 332.448 0.969 20 10 ECCDRO COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000827366082 588115386 /nfs/dbraw/zinc/11/53/86/588115386.db2.gz YZJWPPNZBSVVDZ-ZDUSSCGKSA-N 1 0 339.367 0.169 20 10 ECCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@H]([NH3+])[C@@H]3C)CC2)cc1 ZINC000844227127 589104298 /nfs/dbraw/zinc/10/42/98/589104298.db2.gz TWZKCLPDAGALBQ-YOEHRIQHSA-N 1 0 332.448 0.765 20 10 ECCDRO C[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000846672221 589217977 /nfs/dbraw/zinc/21/79/77/589217977.db2.gz DMSJKKQWKVUANS-PBHICJAKSA-N 1 0 334.464 0.979 20 10 ECCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)C2)cc1 ZINC000846682820 589218709 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CN1CCCc2cc(CNC(=O)c3cn(CCC[NH3+])nn3)ccc21 ZINC000827913944 588146621 /nfs/dbraw/zinc/14/66/21/588146621.db2.gz TYPMOIBBGYSNPY-UHFFFAOYSA-N 1 0 328.420 0.939 20 10 ECCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000832267315 588477208 /nfs/dbraw/zinc/47/72/08/588477208.db2.gz QGDPRBSAJPHARM-AWEZNQCLSA-N 1 0 329.404 0.620 20 10 ECCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CNC(=O)c2ccccn2)cc1 ZINC000832272693 588477210 /nfs/dbraw/zinc/47/72/10/588477210.db2.gz JAUQGCQWCDFGJO-OAHLLOKOSA-N 1 0 341.415 0.694 20 10 ECCDRO CN[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000832272964 588477697 /nfs/dbraw/zinc/47/76/97/588477697.db2.gz KQBQNICIFILCQF-CVEARBPZSA-N 1 0 330.436 0.563 20 10 ECCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCN2C(=O)CCC2=O)cc1 ZINC000832293146 588477816 /nfs/dbraw/zinc/47/78/16/588477816.db2.gz QGXDQRXDBDSWIM-AWEZNQCLSA-N 1 0 332.404 0.408 20 10 ECCDRO COc1ccc(N2CCN(C(=O)CNCC3([NH3+])CCC3)CC2)cc1 ZINC000844222570 589103555 /nfs/dbraw/zinc/10/35/55/589103555.db2.gz HGUWEKFCLOCUTF-UHFFFAOYSA-N 1 0 332.448 0.815 20 10 ECCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)CN2CCOCC2)cc1 ZINC000844400196 589110291 /nfs/dbraw/zinc/11/02/91/589110291.db2.gz WZCXRTJWXVMCTI-QGZVFWFLSA-N 1 0 337.464 0.756 20 10 ECCDRO C[NH+](C)CCN1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1=O ZINC000844713738 589117236 /nfs/dbraw/zinc/11/72/36/589117236.db2.gz FITMAXRTDAQKDY-OAHLLOKOSA-N 1 0 335.404 0.024 20 10 ECCDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)N2CCCOCC2)cc1 ZINC000846231839 589192627 /nfs/dbraw/zinc/19/26/27/589192627.db2.gz QNXZRSSNHDGUGF-OAHLLOKOSA-N 1 0 342.465 0.309 20 10 ECCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851690699 589415314 /nfs/dbraw/zinc/41/53/14/589415314.db2.gz ARLHWGUBNRBUDI-CHWSQXEVSA-N 1 0 334.420 0.114 20 10 ECCDRO COc1cc(N2CC[NH+](C[C@@H]3CNC(=O)C3)CC2)cc(OC)c1OC ZINC000851936344 589433214 /nfs/dbraw/zinc/43/32/14/589433214.db2.gz LVLXKORPJCKDQK-ZDUSSCGKSA-N 1 0 349.431 0.971 20 10 ECCDRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852843865 589517101 /nfs/dbraw/zinc/51/71/01/589517101.db2.gz ITUCJZVBMMGGOK-DOMZBBRYSA-N 1 0 335.404 0.671 20 10 ECCDRO [NH3+]C[C@H]1CC(C(=O)NCc2ccc(N3CCSCC3)cc2)=NO1 ZINC000852860010 589518821 /nfs/dbraw/zinc/51/88/21/589518821.db2.gz HNKMSJPGSGQYDJ-CQSZACIVSA-N 1 0 334.445 0.960 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)CC3([NH3+])CC3)CC2)cc1 ZINC000852872114 589520536 /nfs/dbraw/zinc/52/05/36/589520536.db2.gz BMDRXOCMBOQVFB-UHFFFAOYSA-N 1 0 332.448 0.815 20 10 ECCDRO COc1ccc(O)c(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000114596996 589674401 /nfs/dbraw/zinc/67/44/01/589674401.db2.gz CPAUZZQEUXBLCD-CYBMUJFWSA-N 1 0 336.436 0.836 20 10 ECCDRO CCOc1ccc(O)c(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c1 ZINC000858311340 589740595 /nfs/dbraw/zinc/74/05/95/589740595.db2.gz FVOMKPYAVUVYKT-UHFFFAOYSA-N 1 0 329.422 0.371 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC000859448327 589838953 /nfs/dbraw/zinc/83/89/53/589838953.db2.gz JJCMEUYXVIIEMT-HOTGVXAUSA-N 1 0 335.448 0.244 20 10 ECCDRO C[NH2+]CCOCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000861677341 589873189 /nfs/dbraw/zinc/87/31/89/589873189.db2.gz SIUVACKZMJGCKJ-AWEZNQCLSA-N 1 0 336.436 0.809 20 10 ECCDRO C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])c1ccc(N(C)C)cc1 ZINC000861768194 589890045 /nfs/dbraw/zinc/89/00/45/589890045.db2.gz ZDFSSSIJYZXTMJ-CYBMUJFWSA-N 1 0 336.436 0.411 20 10 ECCDRO CC(C)(O)C[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000872199655 590103888 /nfs/dbraw/zinc/10/38/88/590103888.db2.gz RDYCSJVSNJSSFK-WBVHZDCISA-N 1 0 349.475 1.000 20 10 ECCDRO C[C@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1O ZINC000879651521 590331731 /nfs/dbraw/zinc/33/17/31/590331731.db2.gz ZKHCCXLIZKQECX-NSHDSACASA-N 1 0 343.387 0.490 20 10 ECCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1O ZINC000879649802 590331995 /nfs/dbraw/zinc/33/19/95/590331995.db2.gz UUZGKYUBLRYQPY-WOPDTQHZSA-N 1 0 326.418 0.735 20 10 ECCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn3c(n2)COCC3)cc1 ZINC000876507195 590383528 /nfs/dbraw/zinc/38/35/28/590383528.db2.gz XSBFPLMLFUNRES-CQSZACIVSA-N 1 0 329.404 0.909 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCNC(=O)C3)cc2)CC1 ZINC000881850892 590480803 /nfs/dbraw/zinc/48/08/03/590480803.db2.gz JQBDAYZNDUPBPJ-HNNXBMFYSA-N 1 0 330.432 0.581 20 10 ECCDRO CC[C@]1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CCNC1=O ZINC000881854536 590481012 /nfs/dbraw/zinc/48/10/12/590481012.db2.gz FXDXACDBOKLURV-IBGZPJMESA-N 1 0 344.459 0.971 20 10 ECCDRO COC[C@@H](C)S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882664600 590571242 /nfs/dbraw/zinc/57/12/42/590571242.db2.gz YGPAEIFLKIBMJL-CQSZACIVSA-N 1 0 341.477 0.893 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCCNC3=O)cc2)CC1 ZINC000883282334 590610979 /nfs/dbraw/zinc/61/09/79/590610979.db2.gz PHDHUHGZHBERJD-INIZCTEOSA-N 1 0 345.447 0.516 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CNC(=O)C3)cc2)CC1 ZINC000883744077 590659185 /nfs/dbraw/zinc/65/91/85/590659185.db2.gz UEKYMXMXAIXIPH-OAHLLOKOSA-N 1 0 345.447 0.374 20 10 ECCDRO COc1ccc(N2CCC([NH2+]C[C@H](O)CS(C)(=O)=O)CC2)cc1 ZINC000922821991 611361935 /nfs/dbraw/zinc/36/19/35/611361935.db2.gz FDLJCEWMUMVSFX-HNNXBMFYSA-N 1 0 342.461 0.659 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2CCOCC2)[NH+](C)C)cc1 ZINC000934310552 608809248 /nfs/dbraw/zinc/80/92/48/608809248.db2.gz BNDGPUMZMVDXEX-MRXNPFEDSA-N 1 0 348.447 0.330 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000910999595 609792226 /nfs/dbraw/zinc/79/22/26/609792226.db2.gz MWJAKZCUBUGBSM-KBXCAEBGSA-N 1 0 330.432 0.709 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911050914 609795109 /nfs/dbraw/zinc/79/51/09/609795109.db2.gz YKEIFLZZJGCWLX-DZKIICNBSA-N 1 0 346.475 0.962 20 10 ECCDRO CC1(C)CN(C(=O)C(=O)NCCCSc2nccs2)C[C@H]1[NH3+] ZINC000911054109 609795656 /nfs/dbraw/zinc/79/56/56/609795656.db2.gz DYKLXQPBAWICDK-SNVBAGLBSA-N 1 0 342.490 0.937 20 10 ECCDRO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000911158480 609816911 /nfs/dbraw/zinc/81/69/11/609816911.db2.gz LCQSHOHSYXREQZ-MRXNPFEDSA-N 1 0 342.443 0.876 20 10 ECCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911557633 609894711 /nfs/dbraw/zinc/89/47/11/609894711.db2.gz QFFUHDCNWSRJEN-SHTZXODSSA-N 1 0 332.448 0.955 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H]3C[NH2+]C[C@@H]3C1)cc2=O ZINC000917199234 609964390 /nfs/dbraw/zinc/96/43/90/609964390.db2.gz WQVSFRVSFQXZCI-GHMZBOCLSA-N 1 0 331.376 0.263 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)C3=CCS(=O)(=O)C3)cc2)CC1 ZINC000918839912 610019992 /nfs/dbraw/zinc/01/99/92/610019992.db2.gz WYUWXGXONDCJRK-UHFFFAOYSA-N 1 0 349.456 0.409 20 10 ECCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000923281832 611224302 /nfs/dbraw/zinc/22/43/02/611224302.db2.gz RAUIGHHFPLOOJT-DOTOQJQBSA-N 1 0 334.464 0.211 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C)cc1C ZINC001054651046 768128801 /nfs/dbraw/zinc/12/88/01/768128801.db2.gz VCUXTBRIQOMATH-HIFRSBDPSA-N 1 0 344.419 0.627 20 10 ECCDRO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052964203 765424148 /nfs/dbraw/zinc/42/41/48/765424148.db2.gz FAVFZVXOSGOWTH-LBPRGKRZSA-N 1 0 346.391 0.919 20 10 ECCDRO COc1cccc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)c1O ZINC000269352918 436663491 /nfs/dbraw/zinc/66/34/91/436663491.db2.gz KZLUGKHPBUOYDF-HNNXBMFYSA-N 1 0 349.431 0.424 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H](O)[C@@H](CC)C1)cc2=O ZINC000270872850 436676416 /nfs/dbraw/zinc/67/64/16/436676416.db2.gz JJXRNGXXUICVGG-GWCFXTLKSA-N 1 0 334.376 0.814 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000283630441 437031388 /nfs/dbraw/zinc/03/13/88/437031388.db2.gz WOKADCHTVUUVJH-OAHLLOKOSA-N 1 0 344.459 0.969 20 10 ECCDRO O=C1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1CCN1CCOCC1 ZINC000296986347 436999914 /nfs/dbraw/zinc/99/99/14/436999914.db2.gz SCLGMRGAGXSLOM-CVEARBPZSA-N 1 0 345.443 0.902 20 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CCOc1cccc(C[NH2+]C[C@]23COCCN2C(=O)COC3)c1O ZINC000865800825 590158741 /nfs/dbraw/zinc/15/87/41/590158741.db2.gz NIWMVXNZHMQLSM-QGZVFWFLSA-N 1 0 336.388 0.508 20 10 ECCDRO CCN(C)c1ccc(C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)cc1 ZINC000879412313 590310306 /nfs/dbraw/zinc/31/03/06/590310306.db2.gz CZTUDYWNDGKIEL-UHFFFAOYSA-N 1 0 339.461 0.665 20 10 ECCDRO [NH3+]C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1(F)F ZINC000876726121 590404967 /nfs/dbraw/zinc/40/49/67/590404967.db2.gz AYOPOWZQXDBDBO-ZIAGYGMSSA-N 1 0 325.359 0.979 20 10 ECCDRO COc1ccc(N2CCC(NC(=O)CN3CC[NH2+]CC3)CC2)cc1 ZINC000876750347 590409045 /nfs/dbraw/zinc/40/90/45/590409045.db2.gz VNJJNLYMBHBZFY-UHFFFAOYSA-N 1 0 332.448 0.685 20 10 ECCDRO Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(O)c1 ZINC000877037398 590435120 /nfs/dbraw/zinc/43/51/20/590435120.db2.gz PSFCQZRCTRXEQB-CABCVRRESA-N 1 0 340.445 0.288 20 10 ECCDRO COc1ccc(N2CCN(C(=O)CN3CC[NH2+]CC3)CC2)c(OC)c1 ZINC000877228310 590446201 /nfs/dbraw/zinc/44/62/01/590446201.db2.gz 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Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911051029 609795252 /nfs/dbraw/zinc/79/52/52/609795252.db2.gz ZRKBEHORRHOZIR-ZDUSSCGKSA-N 1 0 332.448 0.716 20 10 ECCDRO C[C@H](NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)c1ccc(N(C)C)cc1 ZINC000911225901 609832507 /nfs/dbraw/zinc/83/25/07/609832507.db2.gz KXDVOPPPUWWKLB-SCLBCKFNSA-N 1 0 348.447 0.242 20 10 ECCDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000911379928 609860718 /nfs/dbraw/zinc/86/07/18/609860718.db2.gz HZCDHLUGMYJUFG-HIFRSBDPSA-N 1 0 332.448 0.683 20 10 ECCDRO CN1C[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)NC1=O ZINC000918838302 610019860 /nfs/dbraw/zinc/01/98/60/610019860.db2.gz FAPPSHIJPGIYAF-HNNXBMFYSA-N 1 0 331.420 0.078 20 10 ECCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c1 ZINC000912913999 610020341 /nfs/dbraw/zinc/02/03/41/610020341.db2.gz SQEKVTNXMPMHOW-LBPRGKRZSA-N 1 0 339.417 0.684 20 10 ECCDRO COc1ccc(N2CC[NH+](C[C@H](O)C3(O)CCOCC3)CC2)cc1 ZINC000929153087 611733548 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346.391 0.965 20 10 ECCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]2C)cc1C ZINC001054373336 767942974 /nfs/dbraw/zinc/94/29/74/767942974.db2.gz FESMICXHFASBNV-DZGCQCFKSA-N 1 0 344.419 0.627 20 10 ECCDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000092067921 436467549 /nfs/dbraw/zinc/46/75/49/436467549.db2.gz GIKPBUWWVVQTFW-INIZCTEOSA-N 1 0 339.461 0.647 20 10 ECCDRO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC3CC3)cc2F)CC1 ZINC000115374016 436646171 /nfs/dbraw/zinc/64/61/71/436646171.db2.gz CUSXYTIRPRKKME-UHFFFAOYSA-N 1 0 348.422 0.862 20 10 ECCDRO C[C@@H](O)C[N@H+](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000131094572 436846812 /nfs/dbraw/zinc/84/68/12/436846812.db2.gz ARXRKPLQIKUJOS-CYBMUJFWSA-N 1 0 339.411 0.591 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000283564653 437030791 /nfs/dbraw/zinc/03/07/91/437030791.db2.gz RLYJTKJPECTQMA-RDJZCZTQSA-N 1 0 344.459 0.921 20 10 ECCDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000278736373 437339548 /nfs/dbraw/zinc/33/95/48/437339548.db2.gz QZDMCJUOWOWAHG-GXTWGEPZSA-N 1 0 339.388 0.967 20 10 ECCDRO COC(=O)CNC(=O)C[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000370865662 437852006 /nfs/dbraw/zinc/85/20/06/437852006.db2.gz XCOCOPACDGZOKB-UHFFFAOYSA-N 1 0 349.431 0.885 20 10 ECCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351556075 438288702 /nfs/dbraw/zinc/28/87/02/438288702.db2.gz MZQWQKZQNZVROH-CYBMUJFWSA-N 1 0 332.404 0.346 20 10 ECCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H]4C[C@@]4(CO)C3)CC2)cc1 ZINC000782616224 578729400 /nfs/dbraw/zinc/72/94/00/578729400.db2.gz KCRLPTAGEACPDN-BEFAXECRSA-N 1 0 345.443 0.658 20 10 ECCDRO Cn1cc(N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)cn1 ZINC000768467130 579126368 /nfs/dbraw/zinc/12/63/68/579126368.db2.gz ZRNDVSOSVPOTKP-INIZCTEOSA-N 1 0 330.388 0.874 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](O)[C@H](C)C1)cc2=O ZINC000778258375 579307382 /nfs/dbraw/zinc/30/73/82/579307382.db2.gz GYGWHIXOPNVEQM-ZWNOBZJWSA-N 1 0 334.376 0.814 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344.459 0.870 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000842275061 589026015 /nfs/dbraw/zinc/02/60/15/589026015.db2.gz ZBYZJDCEXVOORC-CABCVRRESA-N 1 0 332.448 0.955 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)Cn2cnc(N)n2)[NH+](C)C)cc1 ZINC000891248370 586088817 /nfs/dbraw/zinc/08/88/17/586088817.db2.gz LVJCSXLJMSULTO-CQSZACIVSA-N 1 0 331.424 0.345 20 10 ECCDRO COc1cc(O)c(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc1OC ZINC000895770539 586204086 /nfs/dbraw/zinc/20/40/86/586204086.db2.gz GNTYZNMSLMCJLQ-HNNXBMFYSA-N 1 0 336.388 0.794 20 10 ECCDRO CNS(=O)(=O)C1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892014733 586214824 /nfs/dbraw/zinc/21/48/24/586214824.db2.gz RPPVTWAHTVYJQR-UHFFFAOYSA-N 1 0 344.433 0.923 20 10 ECCDRO CCn1cncc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785679 589036406 /nfs/dbraw/zinc/03/64/06/589036406.db2.gz VFKXSGHFWJTRPZ-AWEZNQCLSA-N 1 0 337.449 0.947 20 10 ECCDRO C[C@@H]1OCC[C@H]1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842786158 589036521 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Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000829764815 588340486 /nfs/dbraw/zinc/34/04/86/588340486.db2.gz YFUUADDCDYMNGB-AWEZNQCLSA-N 1 0 327.450 0.439 20 10 ECCDRO CCO[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000846226596 589192289 /nfs/dbraw/zinc/19/22/89/589192289.db2.gz QLTPATPTRLXHKS-NVXWUHKLSA-N 1 0 334.464 0.664 20 10 ECCDRO CC[NH2+]CCNC(=O)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846342094 589197201 /nfs/dbraw/zinc/19/72/01/589197201.db2.gz AHEDRXFRRAVUAM-UHFFFAOYSA-N 1 0 336.436 0.316 20 10 ECCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc1 ZINC000846366197 589198629 /nfs/dbraw/zinc/19/86/29/589198629.db2.gz ZWVARZAJVZKZKO-ZDUSSCGKSA-N 1 0 336.436 0.395 20 10 ECCDRO COCCNC(=[NH2+])NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000849017166 589318754 /nfs/dbraw/zinc/31/87/54/589318754.db2.gz HNGGDPHIMKHXKI-CQSZACIVSA-N 1 0 333.436 0.649 20 10 ECCDRO CCOC[C@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000849328053 589325983 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CCNC(=O)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883074195 590603754 /nfs/dbraw/zinc/60/37/54/590603754.db2.gz PJJBTWBEOKHUMZ-UHFFFAOYSA-N 1 0 333.436 0.374 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]4[C@H](CO)[C@H]4C3)cc2)CC1 ZINC000889663892 591069628 /nfs/dbraw/zinc/06/96/28/591069628.db2.gz XCIOTYVEXPKYBU-PIIMJCKOSA-N 1 0 344.459 0.818 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000911521311 609891404 /nfs/dbraw/zinc/89/14/04/609891404.db2.gz MUWCWKRJIDUKHY-OAHLLOKOSA-N 1 0 332.448 0.825 20 10 ECCDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1)C(N)=O ZINC000970831708 733997754 /nfs/dbraw/zinc/99/77/54/733997754.db2.gz XSFVABUNHKFDFB-BXKDBHETSA-N 1 0 332.364 0.527 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)Cn3cnnn3)C2)cc1C ZINC000988000242 751437614 /nfs/dbraw/zinc/43/76/14/751437614.db2.gz GGWUNJBSTJTXIL-ZFWWWQNUSA-N 1 0 344.419 0.769 20 10 ECCDRO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001029013813 743192639 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ECCDRO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1CCN1CCOCC1 ZINC000172698038 437025782 /nfs/dbraw/zinc/02/57/82/437025782.db2.gz MWZRUYYVCDYDIB-KRWDZBQOSA-N 1 0 345.443 0.644 20 10 ECCDRO COCCOC[C@H](O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000296864958 436998013 /nfs/dbraw/zinc/99/80/13/436998013.db2.gz VOXGWSUPWSCCAY-OAHLLOKOSA-N 1 0 342.411 0.980 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](C)[C@H]1CO)cc2=O ZINC000276024295 437045965 /nfs/dbraw/zinc/04/59/65/437045965.db2.gz KWUSZQPNRCOVFB-ZWNOBZJWSA-N 1 0 334.376 0.814 20 10 ECCDRO CC[N@H+](CCO)CCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000183968557 437393855 /nfs/dbraw/zinc/39/38/55/437393855.db2.gz KPVCDPVGXCBPCY-VMPITWQZSA-N 1 0 347.459 0.967 20 10 ECCDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000193568482 437711782 /nfs/dbraw/zinc/71/17/82/437711782.db2.gz SHGDVTBRDKGCAE-GUYCJALGSA-N 1 0 332.448 0.825 20 10 ECCDRO COc1ccc(N2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)cc1 ZINC000244164106 545934746 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C[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000841726541 588999495 /nfs/dbraw/zinc/99/94/95/588999495.db2.gz RYEACYROVHKYGE-DZGCQCFKSA-N 1 0 347.463 0.925 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)NC/C=C\C[NH3+])CC2)cc1 ZINC000841749250 588999744 /nfs/dbraw/zinc/99/97/44/588999744.db2.gz BVQPJNUIOUWMFA-IHWYPQMZSA-N 1 0 347.463 0.631 20 10 ECCDRO CN1CCN(C(=O)NCCCSc2nccs2)[C@@H](C[NH3+])C1 ZINC000841858024 589003087 /nfs/dbraw/zinc/00/30/87/589003087.db2.gz SGZVEVFEGRSLID-NSHDSACASA-N 1 0 329.495 0.910 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000842036378 589009109 /nfs/dbraw/zinc/00/91/09/589009109.db2.gz QCRVTRBNLUKPGW-SFHVURJKSA-N 1 0 330.432 0.581 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000842036753 589009129 /nfs/dbraw/zinc/00/91/29/589009129.db2.gz WRPBARUXAGZCRI-HRCADAONSA-N 1 0 344.459 0.873 20 10 ECCDRO C[C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)[C@H](C)C[NH2+]1 ZINC000842093818 589011658 /nfs/dbraw/zinc/01/16/58/589011658.db2.gz STIUDSREYFRHGP-GHMZBOCLSA-N 1 0 342.490 0.950 20 10 ECCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000842170603 589016685 /nfs/dbraw/zinc/01/66/85/589016685.db2.gz KISGPFNPZMQAGF-OAHLLOKOSA-N 1 0 328.416 0.547 20 10 ECCDRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842170113 589016687 /nfs/dbraw/zinc/01/66/87/589016687.db2.gz BYHAOSJZSVRITB-MRXNPFEDSA-N 1 0 328.416 0.629 20 10 ECCDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000842170551 589016626 /nfs/dbraw/zinc/01/66/26/589016626.db2.gz IPOOPSKCYHWLMY-IBGZPJMESA-N 1 0 342.443 0.876 20 10 ECCDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000842212697 589021399 /nfs/dbraw/zinc/02/13/99/589021399.db2.gz ITULGOCBUZTOQC-OAHLLOKOSA-N 1 0 330.432 0.723 20 10 ECCDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000842215885 589021784 /nfs/dbraw/zinc/02/17/84/589021784.db2.gz YQRIFDNPXXWOOI-AWEZNQCLSA-N 1 0 330.432 0.723 20 10 ECCDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842266919 589025531 /nfs/dbraw/zinc/02/55/31/589025531.db2.gz VHLZISTUIVPJNZ-XJKSGUPXSA-N 1 0 332.448 0.825 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c(O)c1OC ZINC000895148138 586166914 /nfs/dbraw/zinc/16/69/14/586166914.db2.gz QVXXAKBYMVXLPU-NSHDSACASA-N 1 0 330.406 0.533 20 10 ECCDRO COc1ccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)c(O)c1OC ZINC000891541147 586174741 /nfs/dbraw/zinc/17/47/41/586174741.db2.gz AQJUBUJKQIDTDE-UHFFFAOYSA-N 1 0 344.433 0.923 20 10 ECCDRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(C)cc2O)C[C@@H]1S(C)(=O)=O ZINC000895513000 586186669 /nfs/dbraw/zinc/18/66/69/586186669.db2.gz UIJUQGZDPSQVKN-DZGCQCFKSA-N 1 0 327.402 0.767 20 10 ECCDRO CC[NH2+]CCNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000891995011 586213015 /nfs/dbraw/zinc/21/30/15/586213015.db2.gz HGDUTCYJASUHIG-UHFFFAOYSA-N 1 0 347.463 0.797 20 10 ECCDRO C[C@@H]1CCN(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000842784843 589036431 /nfs/dbraw/zinc/03/64/31/589036431.db2.gz MMJDLHBPGNSZOH-IUODEOHRSA-N 1 0 326.466 0.929 20 10 ECCDRO COc1ccc(C[NH2+]CC(C)(C)NS(C)(=O)=O)c(O)c1OC ZINC000892880992 586298559 /nfs/dbraw/zinc/29/85/59/586298559.db2.gz NJTLDPGFCCXPNM-UHFFFAOYSA-N 1 0 332.422 0.827 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)NCc2ncn(C)n2)[NH+](C)C)cc1 ZINC000893954764 586368057 /nfs/dbraw/zinc/36/80/57/586368057.db2.gz HYEGCSBPLRDJKD-OAHLLOKOSA-N 1 0 345.451 0.983 20 10 ECCDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cc(Br)cc(F)c3[O-])C[C@H]12 ZINC000894904145 586418729 /nfs/dbraw/zinc/41/87/29/586418729.db2.gz ZMSFVXYOZFBWIU-DTORHVGOSA-N 1 0 343.152 0.998 20 10 ECCDRO COC[C@H](C)NC(=O)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843349937 589063169 /nfs/dbraw/zinc/06/31/69/589063169.db2.gz NBVIJXYXGLDWSP-LBPRGKRZSA-N 1 0 334.420 0.759 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)CCC[NH+](C)C)cc1F ZINC000803662523 587065245 /nfs/dbraw/zinc/06/52/45/587065245.db2.gz XCBPFNMQCXBQSD-UHFFFAOYSA-N 1 0 338.427 0.918 20 10 ECCDRO CN(CC[NH+](C)C)C(=O)C(=O)NCCCSc1nccs1 ZINC000806279289 587092231 /nfs/dbraw/zinc/09/22/31/587092231.db2.gz KDQDLOVRQLWONX-UHFFFAOYSA-N 1 0 330.479 0.762 20 10 ECCDRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000809726220 587182159 /nfs/dbraw/zinc/18/21/59/587182159.db2.gz GAKBMYHZVGCXCP-CYBMUJFWSA-N 1 0 331.413 0.892 20 10 ECCDRO CNS(=O)(=O)NC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000811499872 587220463 /nfs/dbraw/zinc/22/04/63/587220463.db2.gz QFSYDTGOYRANQZ-UHFFFAOYSA-N 1 0 329.422 0.419 20 10 ECCDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000816767612 587324887 /nfs/dbraw/zinc/32/48/87/587324887.db2.gz CLWCAVWPKPYITN-GWCFXTLKSA-N 1 0 341.433 0.928 20 10 ECCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)C1 ZINC000844175392 589098874 /nfs/dbraw/zinc/09/88/74/589098874.db2.gz HJKMLJFVNJOXSK-ABFRBSLYSA-N 1 0 342.443 0.755 20 10 ECCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824677858 587885683 /nfs/dbraw/zinc/88/56/83/587885683.db2.gz KDWHPGZYAIKHHM-OAHLLOKOSA-N 1 0 341.477 0.941 20 10 ECCDRO C[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000827389893 588117948 /nfs/dbraw/zinc/11/79/48/588117948.db2.gz OZSFDSQRSPULDD-LBPRGKRZSA-N 1 0 325.434 0.132 20 10 ECCDRO COc1ccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c(O)c1 ZINC000832178099 588472062 /nfs/dbraw/zinc/47/20/62/588472062.db2.gz NLXGXCDTMZEHHW-LBPRGKRZSA-N 1 0 331.376 0.674 20 10 ECCDRO COc1ccc(N2CCN(C(=O)CN3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000844219578 589103768 /nfs/dbraw/zinc/10/37/68/589103768.db2.gz LDWZFUQSAXDAMS-OAHLLOKOSA-N 1 0 332.448 0.624 20 10 ECCDRO CN(C)c1ccc(CNC(=O)CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000844224920 589104084 /nfs/dbraw/zinc/10/40/84/589104084.db2.gz VHCRZLWPQQDHCR-SFHVURJKSA-N 1 0 345.491 0.348 20 10 ECCDRO C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccc(N2CCOCC2)cc1 ZINC000846672582 589218020 /nfs/dbraw/zinc/21/80/20/589218020.db2.gz ILYSCIRQKCWIHB-QOKNQOGYSA-N 1 0 345.443 0.936 20 10 ECCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)C2)cc1 ZINC000846682821 589218635 /nfs/dbraw/zinc/21/86/35/589218635.db2.gz MLPYMNWVYUIHJZ-RHSMWYFYSA-N 1 0 334.464 0.917 20 10 ECCDRO COc1ccc(N(C)CCN(C)C(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000846697411 589219295 /nfs/dbraw/zinc/21/92/95/589219295.db2.gz QMCRHYVZTKYOCA-KSSFIOAISA-N 1 0 333.432 0.826 20 10 ECCDRO Nc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848602491 589303008 /nfs/dbraw/zinc/30/30/08/589303008.db2.gz DZYHGLVRQJQONG-INIZCTEOSA-N 1 0 346.431 0.921 20 10 ECCDRO CCc1cccc(C[NH+]2CCN(CC(=O)NCCOC)CC2)c1O ZINC000848880596 589314672 /nfs/dbraw/zinc/31/46/72/589314672.db2.gz RFBQHVJDOKDQMD-UHFFFAOYSA-N 1 0 335.448 0.835 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851684234 589413114 /nfs/dbraw/zinc/41/31/14/589413114.db2.gz CSMJKKVBVLOAEY-HUUCEWRRSA-N 1 0 336.411 0.575 20 10 ECCDRO C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851688270 589414468 /nfs/dbraw/zinc/41/44/68/589414468.db2.gz VIFVSNDPSGTTSH-CYBMUJFWSA-N 1 0 334.420 0.116 20 10 ECCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000851690663 589415382 /nfs/dbraw/zinc/41/53/82/589415382.db2.gz IYLUJJAQJQOGHM-HIFRSBDPSA-N 1 0 349.431 0.624 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000852497126 589499052 /nfs/dbraw/zinc/49/90/52/589499052.db2.gz UAUQIRURUFJMBV-WBVHZDCISA-N 1 0 344.459 0.969 20 10 ECCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cnc3n2CCOC3)cc1 ZINC000852792009 589512204 /nfs/dbraw/zinc/51/22/04/589512204.db2.gz OWHHQCRQKGSYAQ-AWEZNQCLSA-N 1 0 329.404 0.909 20 10 ECCDRO COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)cc1 ZINC000855233571 589623554 /nfs/dbraw/zinc/62/35/54/589623554.db2.gz ILOBGQNRWATSBJ-MAUKXSAKSA-N 1 0 344.459 0.780 20 10 ECCDRO COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000866752820 589768638 /nfs/dbraw/zinc/76/86/38/589768638.db2.gz WZHMSXUMZZABMH-JQWIXIFHSA-N 1 0 330.406 0.370 20 10 ECCDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000861734560 589883067 /nfs/dbraw/zinc/88/30/67/589883067.db2.gz IYLPGJQKHFYBOV-INIZCTEOSA-N 1 0 332.448 0.825 20 10 ECCDRO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1O ZINC000874192872 590226180 /nfs/dbraw/zinc/22/61/80/590226180.db2.gz ZCTGEKYCZFSQNZ-LBPRGKRZSA-N 1 0 345.403 0.966 20 10 ECCDRO C[C@@H]([NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1O ZINC000879648691 590331946 /nfs/dbraw/zinc/33/19/46/590331946.db2.gz ZKHCCXLIZKQECX-LLVKDONJSA-N 1 0 343.387 0.490 20 10 ECCDRO O=C(CN1CC[NH2+]CC1)NCc1ccc(N2CCSCC2)cc1 ZINC000876731542 590405541 /nfs/dbraw/zinc/40/55/41/590405541.db2.gz RTOFQOAFHBSRTJ-UHFFFAOYSA-N 1 0 334.489 0.761 20 10 ECCDRO COc1ccc(N2CCN(C(=O)CN3CC[NH2+]CC3)CC2)cc1F ZINC000876781094 590414814 /nfs/dbraw/zinc/41/48/14/590414814.db2.gz JRCSQOGHNOQGOH-UHFFFAOYSA-N 1 0 336.411 0.388 20 10 ECCDRO C[C@@]1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[NH2+]CCO1 ZINC000876975306 590431286 /nfs/dbraw/zinc/43/12/86/590431286.db2.gz FTLITGJMPWSUEI-SFHVURJKSA-N 1 0 333.432 0.642 20 10 ECCDRO O=C(C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N1CCOCC1 ZINC000877139098 590440410 /nfs/dbraw/zinc/44/04/10/590440410.db2.gz HNTAWCSOCRKSSY-UHFFFAOYSA-N 1 0 333.432 0.596 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)CNC(=O)C3CC3)cc2)CC1 ZINC000881849787 590480510 /nfs/dbraw/zinc/48/05/10/590480510.db2.gz JKJUSUSTENPDIS-UHFFFAOYSA-N 1 0 330.432 0.581 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNc3cc(C(N)=O)ncn3)cc2)CC1 ZINC000882880039 590595293 /nfs/dbraw/zinc/59/52/93/590595293.db2.gz YYZIOWNNPVNPBO-UHFFFAOYSA-N 1 0 326.404 0.939 20 10 ECCDRO Cn1ccn2c(CC[NH2+]Cc3ccc4c(c3)CCO4)nnc2c1=O ZINC000886285304 590825102 /nfs/dbraw/zinc/82/51/02/590825102.db2.gz FANAPEFDRVDMBY-UHFFFAOYSA-N 1 0 325.372 0.695 20 10 ECCDRO COCC[C@H]([NH3+])C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000884466536 590835087 /nfs/dbraw/zinc/83/50/87/590835087.db2.gz BNKCCWLSWAADPW-AWEZNQCLSA-N 1 0 337.420 0.716 20 10 ECCDRO COC[C@@H](CO)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889665085 591069854 /nfs/dbraw/zinc/06/98/54/591069854.db2.gz FLNBTZRPEZVQSP-OAHLLOKOSA-N 1 0 336.436 0.245 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@@H]4C[C@]4(CO)C3)cc2)CC1 ZINC000889665422 591070651 /nfs/dbraw/zinc/07/06/51/591070651.db2.gz NVPYLNHOIZYLSG-QFBILLFUSA-N 1 0 344.459 0.962 20 10 ECCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926327799 611535636 /nfs/dbraw/zinc/53/56/36/611535636.db2.gz IWZPCVHHRSWQHU-UHFFFAOYSA-N 1 0 348.447 0.152 20 10 ECCDRO C[C@@H]1[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@@H+]1C ZINC000928442824 608740880 /nfs/dbraw/zinc/74/08/80/608740880.db2.gz RBBXTTHILQPQQQ-SKDRFNHKSA-N 1 0 327.406 0.586 20 10 ECCDRO COCC[N@@H+]1CC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 ZINC000924601999 609048787 /nfs/dbraw/zinc/04/87/87/609048787.db2.gz ZGSLRVRGLUIWHA-CQSZACIVSA-N 1 0 333.388 0.877 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CC[C@@H](CC[NH3+])C3)ccc21 ZINC000911116186 609813041 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0.816 20 10 ECCDRO C[N@H+](CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000284407861 437053040 /nfs/dbraw/zinc/05/30/40/437053040.db2.gz BJNPDPUYDVMKSS-UHFFFAOYSA-N 1 0 342.443 0.889 20 10 ECCDRO CCOc1ccc(O)c(C[NH2+]CCNS(=O)(=O)NC(C)C)c1 ZINC000276992805 437183344 /nfs/dbraw/zinc/18/33/44/437183344.db2.gz IMBQZIQDKPNOJJ-UHFFFAOYSA-N 1 0 331.438 0.713 20 10 ECCDRO COc1ccc(O)c([C@H](C)[NH2+]CCNS(=O)(=O)NC(C)C)c1 ZINC000277081277 437190879 /nfs/dbraw/zinc/19/08/79/437190879.db2.gz JSVCJUIREVSCFO-NSHDSACASA-N 1 0 331.438 0.884 20 10 ECCDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000178872303 437235593 /nfs/dbraw/zinc/23/55/93/437235593.db2.gz SHBOQVSFJMTPHX-MRXNPFEDSA-N 1 0 346.475 0.933 20 10 ECCDRO COCCN(CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278186756 437288031 /nfs/dbraw/zinc/28/80/31/437288031.db2.gz HJMFBSQNLHKGSN-UHFFFAOYSA-N 1 0 341.364 0.846 20 10 ECCDRO O=C(NCc1cc(Br)ccc1O)NC[C@@H]1COCC[NH2+]1 ZINC000529386574 439418181 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ECCDRO O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1cccc(O)c1O ZINC000882634554 590566213 /nfs/dbraw/zinc/56/62/13/590566213.db2.gz DHKKYJRHQOSIOD-AWEZNQCLSA-N 1 0 349.431 0.624 20 10 ECCDRO CCN(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000884566496 590859000 /nfs/dbraw/zinc/85/90/00/590859000.db2.gz MDDJUPQMGHMSNU-KRWDZBQOSA-N 1 0 342.443 0.889 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CCCNC(=O)C3)cc2)CC1 ZINC000889659342 591069457 /nfs/dbraw/zinc/06/94/57/591069457.db2.gz VSISJHYTZRKPHH-UHFFFAOYSA-N 1 0 345.447 0.470 20 10 ECCDRO CC[C@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)NC ZINC000889662226 591069735 /nfs/dbraw/zinc/06/97/35/591069735.db2.gz ABQVVHVHUWWJRS-INIZCTEOSA-N 1 0 347.463 0.762 20 10 ECCDRO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000922825344 611361408 /nfs/dbraw/zinc/36/14/08/611361408.db2.gz JXEGPZZWPXHBLM-QMMMGPOBSA-N 1 0 338.223 0.650 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)Cn2ncn(C)c2=O)[NH+](C)C)cc1 ZINC000891247985 608673681 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COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCNC3=O)C2)cc1C ZINC001020468172 751664819 /nfs/dbraw/zinc/66/48/19/751664819.db2.gz UEXMJSSDVXPHQO-KKUMJFAQSA-N 1 0 331.416 0.877 20 10 ECCDRO NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)cc1 ZINC001021116651 752554085 /nfs/dbraw/zinc/55/40/85/752554085.db2.gz LIVIVCXJYYCQNH-JHJVBQTASA-N 1 0 344.375 0.588 20 10 ECCDRO COc1cc(C(=O)NC2C[NH+](CC3CCOCC3)C2)cc(OC)n1 ZINC001030614415 764285917 /nfs/dbraw/zinc/28/59/17/764285917.db2.gz JAXOQASTPXATCJ-UHFFFAOYSA-N 1 0 335.404 0.939 20 10 ECCDRO COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H]2NC(=O)NC2=O)cc1C ZINC001266728525 836207504 /nfs/dbraw/zinc/20/75/04/836207504.db2.gz AISFKVSKWTYFNC-ZDUSSCGKSA-N 1 0 348.403 0.150 20 10 ECCDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000286487221 254564891 /nfs/dbraw/zinc/56/48/91/254564891.db2.gz MEHTVXFGYZQDDJ-LBPRGKRZSA-N 1 0 338.427 0.964 20 10 ECCDRO CN1C(=O)C(=CNC[C@H](c2cccc(F)c2)[NH+](C)C)C(=O)N(C)C1=O ZINC000029006166 436195072 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COc1ccc(N2CCC(N(C)C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)cc1 ZINC000365316460 437893977 /nfs/dbraw/zinc/89/39/77/437893977.db2.gz GELJUGFVTCTJFF-DOTOQJQBSA-N 1 0 333.432 0.845 20 10 ECCDRO CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000373054884 438128021 /nfs/dbraw/zinc/12/80/21/438128021.db2.gz XDTKZXPWRMREOW-GXFFZTMASA-N 1 0 339.417 0.588 20 10 ECCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@H](O)[C@@H](C)C3)CC2)cc1 ZINC000754097210 579412957 /nfs/dbraw/zinc/41/29/57/579412957.db2.gz MHLFRDJVDLTCCV-IEZWGBDMSA-N 1 0 349.475 0.491 20 10 ECCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)C3CC(O)C3)CC2)cc1 ZINC000759874870 579499918 /nfs/dbraw/zinc/49/99/18/579499918.db2.gz PJSSCWISGGNSNN-ABHNRTSZSA-N 1 0 349.475 0.633 20 10 ECCDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000728610897 578290019 /nfs/dbraw/zinc/29/00/19/578290019.db2.gz PDVKKDCBNGOSNW-UHFFFAOYSA-N 1 0 341.433 0.932 20 10 ECCDRO O=C(NCc1ccccc1O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000734663472 578366011 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C[C@H](C[NH3+])CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000841721092 588998996 /nfs/dbraw/zinc/99/89/96/588998996.db2.gz DCFXAFZRKKETAF-UKRRQHHQSA-N 1 0 347.463 0.782 20 10 ECCDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000841723822 588999200 /nfs/dbraw/zinc/99/92/00/588999200.db2.gz ZXIPVRCJFYQAOC-YDHLFZDLSA-N 1 0 347.463 0.923 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)N(C)[C@@H](C)C[NH3+])CC2)cc1 ZINC000841750526 588999704 /nfs/dbraw/zinc/99/97/04/588999704.db2.gz RQTXAPGXRGSQCV-HNNXBMFYSA-N 1 0 349.479 0.806 20 10 ECCDRO CC[C@H]([NH3+])CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000841749344 588999979 /nfs/dbraw/zinc/99/99/79/588999979.db2.gz CUBBBSNAASESDS-HNNXBMFYSA-N 1 0 349.479 0.854 20 10 ECCDRO CN(C)c1ccc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000841656046 588997082 /nfs/dbraw/zinc/99/70/82/588997082.db2.gz VBRXQCWZVGVHJU-HNNXBMFYSA-N 1 0 347.463 0.749 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000842037347 589009160 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C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CC(=O)NC3=O)cc2)CC1 ZINC000829296959 588321526 /nfs/dbraw/zinc/32/15/26/588321526.db2.gz SNJLXXDYNVWUFW-AWEZNQCLSA-N 1 0 344.415 0.107 20 10 ECCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CNC(=O)c2ccccn2)cc1 ZINC000832272692 588477234 /nfs/dbraw/zinc/47/72/34/588477234.db2.gz JAUQGCQWCDFGJO-HNNXBMFYSA-N 1 0 341.415 0.694 20 10 ECCDRO Nc1ccc(CC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000832409340 588482787 /nfs/dbraw/zinc/48/27/87/588482787.db2.gz HBMVKPWESUKTCY-HNNXBMFYSA-N 1 0 330.432 0.482 20 10 ECCDRO C[NH+](C)CCN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000846012281 589181819 /nfs/dbraw/zinc/18/18/19/589181819.db2.gz ZCYMPTMERDCNIE-UHFFFAOYSA-N 1 0 346.475 0.729 20 10 ECCDRO COc1ccc(N(C)CCN(C)C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000846696015 589219286 /nfs/dbraw/zinc/21/92/86/589219286.db2.gz CGEHLJZXRADKGJ-INIZCTEOSA-N 1 0 348.447 0.458 20 10 ECCDRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1F ZINC000851684344 589413139 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/nfs/dbraw/zinc/01/50/35/589015035.db2.gz AIGWGHIKLDEJTJ-UHFFFAOYSA-N 1 0 332.448 0.793 20 10 ECCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@@H]1[NH3+] ZINC000842170557 589016486 /nfs/dbraw/zinc/01/64/86/589016486.db2.gz IRVGNEQVSAMZSN-PBHICJAKSA-N 1 0 342.443 0.875 20 10 ECCDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000842170473 589016581 /nfs/dbraw/zinc/01/65/81/589016581.db2.gz GULIBYXKDUFVGB-HOCLYGCPSA-N 1 0 342.443 0.875 20 10 ECCDRO C[C@@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(N(C)C)cc1 ZINC000842202925 589020923 /nfs/dbraw/zinc/02/09/23/589020923.db2.gz MTRQKQQVCQLAMW-IUODEOHRSA-N 1 0 334.420 0.034 20 10 ECCDRO C[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000842229058 589022780 /nfs/dbraw/zinc/02/27/80/589022780.db2.gz HRWDOZCJQJTBNN-GFCCVEGCSA-N 1 0 331.372 0.977 20 10 ECCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000842276931 589026335 /nfs/dbraw/zinc/02/63/35/589026335.db2.gz FYKXOOJMUNVWSR-MRXNPFEDSA-N 1 0 348.447 0.206 20 10 ECCDRO COCCNC(=O)CN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000121257682 586051123 /nfs/dbraw/zinc/05/11/23/586051123.db2.gz QTYOBHIMADFLAK-UHFFFAOYSA-N 1 0 341.839 0.926 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)[NH+](C)C)cc1 ZINC000891245377 586088930 /nfs/dbraw/zinc/08/89/30/586088930.db2.gz DAUSSNKOHPWSSA-JENIJYKNSA-N 1 0 348.491 0.927 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H](O)c2cnn(C)c2)[NH+](C)C)cc1 ZINC000891247049 586088993 /nfs/dbraw/zinc/08/89/93/586088993.db2.gz GYDGTBPMMWIJQS-DLBZAZTESA-N 1 0 345.447 0.939 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)C[C@@H]2CCNC2=O)[NH+](C)C)cc1 ZINC000891245515 586089028 /nfs/dbraw/zinc/08/90/28/586089028.db2.gz FOKCPVDXLSSFHN-HOCLYGCPSA-N 1 0 332.448 0.998 20 10 ECCDRO COc1cc(C)cc(C[NH2+]CCc2nnc3c(=O)n(C)ccn23)c1O ZINC000895790458 586205066 /nfs/dbraw/zinc/20/50/66/586205066.db2.gz WPVUGHISOSNBAY-UHFFFAOYSA-N 1 0 343.387 0.783 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCN(C)C2=O)[NH+](C)C)cc1 ZINC000893116418 586312295 /nfs/dbraw/zinc/31/22/95/586312295.db2.gz GLYJBZFRVHCFFR-JKSUJKDBSA-N 1 0 347.463 0.885 20 10 ECCDRO COC[C@@H](O)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899095198 586469553 /nfs/dbraw/zinc/46/95/53/586469553.db2.gz HVSPRCRKLUZICG-HOTGVXAUSA-N 1 0 338.452 0.662 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)N(C)CCC(N)=O)[NH+](C)C)cc1 ZINC000899105811 586470223 /nfs/dbraw/zinc/47/02/23/586470223.db2.gz ZCWBNBLXULNSNJ-OAHLLOKOSA-N 1 0 335.452 0.872 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)NC(C)(CO)CO)[NH+](C)C)cc1 ZINC000899101586 586470236 /nfs/dbraw/zinc/47/02/36/586470236.db2.gz IZBNWAAGGCTKJO-HNNXBMFYSA-N 1 0 338.452 0.398 20 10 ECCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000843259882 589057785 /nfs/dbraw/zinc/05/77/85/589057785.db2.gz SKKUZISKPRKWIG-UONOGXRCSA-N 1 0 330.432 0.921 20 10 ECCDRO COc1cc(O)c(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1OC ZINC000843428015 589066997 /nfs/dbraw/zinc/06/69/97/589066997.db2.gz FKCWNNFJDGNDAK-GFCCVEGCSA-N 1 0 337.420 0.961 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000903715884 586804161 /nfs/dbraw/zinc/80/41/61/586804161.db2.gz PAQQJXPZLUPYJM-HNNXBMFYSA-N 1 0 332.448 0.907 20 10 ECCDRO COc1cc(O)c(C[NH2+]CC[C@H]2CNCCS2(=O)=O)cc1OC ZINC000903967290 586828383 /nfs/dbraw/zinc/82/83/83/586828383.db2.gz BSNLEKUCGOHLND-LBPRGKRZSA-N 1 0 344.433 0.276 20 10 ECCDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C[C@H](O)C3(O)CCC3)cc2)C1 ZINC000905059571 586868340 /nfs/dbraw/zinc/86/83/40/586868340.db2.gz OGXUVQCNMFBGBS-WBVHZDCISA-N 1 0 347.459 0.754 20 10 ECCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000843498953 589073310 /nfs/dbraw/zinc/07/33/10/589073310.db2.gz APOBJSOOLQFRNI-PIIMJCKOSA-N 1 0 342.443 0.437 20 10 ECCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCC(=O)N2CCCC2)c1 ZINC000775370935 586916674 /nfs/dbraw/zinc/91/66/74/586916674.db2.gz XRCQHJFUPUCCMS-GFCCVEGCSA-N 1 0 335.404 0.790 20 10 ECCDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000817676314 587346146 /nfs/dbraw/zinc/34/61/46/587346146.db2.gz DKBXFRHLQHLHQZ-GFCCVEGCSA-N 1 0 341.433 0.930 20 10 ECCDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000817919601 587391958 /nfs/dbraw/zinc/39/19/58/587391958.db2.gz VEMYCCCVPUEWAR-HNNXBMFYSA-N 1 0 332.448 0.921 20 10 ECCDRO CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000827468843 588122248 /nfs/dbraw/zinc/12/22/48/588122248.db2.gz DWFUZYGDYVDLNS-GDBMZVCRSA-N 1 0 332.448 0.988 20 10 ECCDRO C[C@@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H](C)[NH3+] ZINC000827468988 588122305 /nfs/dbraw/zinc/12/23/05/588122305.db2.gz ITBZEAAWPDNQLV-IPYPFGDCSA-N 1 0 332.448 0.988 20 10 ECCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)cc2)C1 ZINC000827468578 588122357 /nfs/dbraw/zinc/12/23/57/588122357.db2.gz AGJMNQPFVYDLHU-RDTXWAMCSA-N 1 0 348.422 0.706 20 10 ECCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000832172872 588471539 /nfs/dbraw/zinc/47/15/39/588471539.db2.gz MKQGFSHGWXOKFW-LJQANCHMSA-N 1 0 344.459 0.971 20 10 ECCDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279536 588477664 /nfs/dbraw/zinc/47/76/64/588477664.db2.gz JNBDVBRHKVPIRE-AWEZNQCLSA-N 1 0 346.391 0.982 20 10 ECCDRO CN(C)c1ccc(CNC(=O)CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000844219597 589103762 /nfs/dbraw/zinc/10/37/62/589103762.db2.gz LVBWSMNUUIURMO-UHFFFAOYSA-N 1 0 333.480 0.206 20 10 ECCDRO C[C@@H]([NH3+])[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000844220548 589103815 /nfs/dbraw/zinc/10/38/15/589103815.db2.gz HOWGKQPRQKKKBZ-RHSMWYFYSA-N 1 0 334.464 0.759 20 10 ECCDRO CN(C)c1ccc(CNC(=O)CN2CC[NH2+]C[C@H]2C(F)F)cc1 ZINC000844224026 589103997 /nfs/dbraw/zinc/10/39/97/589103997.db2.gz LMXSEVAUZWEHIE-AWEZNQCLSA-N 1 0 326.391 0.908 20 10 ECCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)NCC[NH2+]C2CC2)cc1 ZINC000846342087 589197206 /nfs/dbraw/zinc/19/72/06/589197206.db2.gz ABUYFCNNSPRAOD-UHFFFAOYSA-N 1 0 348.447 0.458 20 10 ECCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000846342551 589197303 /nfs/dbraw/zinc/19/73/03/589197303.db2.gz FHZRRCKHRPABBS-CQSZACIVSA-N 1 0 348.447 0.458 20 10 ECCDRO O=C1CN(CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)CCN1 ZINC000848556865 589300491 /nfs/dbraw/zinc/30/04/91/589300491.db2.gz FMAGTBYFRJXEOF-UHFFFAOYSA-N 1 0 332.448 0.435 20 10 ECCDRO COc1ccc(N2CCCN(C(=O)c3cn(CC[NH3+])nn3)CC2)cc1 ZINC000851629971 589409239 /nfs/dbraw/zinc/40/92/39/589409239.db2.gz DNCFXRQOGJVDIV-UHFFFAOYSA-N 1 0 344.419 0.598 20 10 ECCDRO COc1ccc(N2CC[C@@H](CNC(=O)c3cn(CC[NH3+])nn3)C2)cc1 ZINC000851642486 589409841 /nfs/dbraw/zinc/40/98/41/589409841.db2.gz XGOOISUJQDPPOB-ZDUSSCGKSA-N 1 0 344.419 0.502 20 10 ECCDRO COc1ccc(N(C)CCN(C)C(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000851642604 589409966 /nfs/dbraw/zinc/40/99/66/589409966.db2.gz ZWRFPTKHDMWQTA-UHFFFAOYSA-N 1 0 332.408 0.454 20 10 ECCDRO COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C2)cc1 ZINC000851689755 589414952 /nfs/dbraw/zinc/41/49/52/589414952.db2.gz SXIUBSPBYNTPON-GFCCVEGCSA-N 1 0 334.420 0.244 20 10 ECCDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852417741 589495675 /nfs/dbraw/zinc/49/56/75/589495675.db2.gz WTGHUNBNPYWTCJ-DOTOQJQBSA-N 1 0 349.431 0.631 20 10 ECCDRO CC[C@H]([NH2+]C)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000852805536 589512918 /nfs/dbraw/zinc/51/29/18/589512918.db2.gz CESFYXXQDNVDIV-KRWDZBQOSA-N 1 0 334.464 0.931 20 10 ECCDRO CC(C)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[NH2+]1 ZINC000856488905 589665939 /nfs/dbraw/zinc/66/59/39/589665939.db2.gz HABUPKAEAPZGPM-ZDUSSCGKSA-N 1 0 341.433 0.834 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857100810 589686471 /nfs/dbraw/zinc/68/64/71/589686471.db2.gz NNYQLNVNPGRAKQ-KSSFIOAISA-N 1 0 330.432 0.709 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000861736296 589883678 /nfs/dbraw/zinc/88/36/78/589883678.db2.gz YKCYNRZFYBOURN-HNNXBMFYSA-N 1 0 330.432 0.770 20 10 ECCDRO CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000861767025 589889705 /nfs/dbraw/zinc/88/97/05/589889705.db2.gz LZFFUFVGGRJRTL-HNNXBMFYSA-N 1 0 348.447 0.254 20 10 ECCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000868356683 589895848 /nfs/dbraw/zinc/89/58/48/589895848.db2.gz DBTOSCZBUQCKEL-UKRRQHHQSA-N 1 0 332.448 0.764 20 10 ECCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000879649800 590332105 /nfs/dbraw/zinc/33/21/05/590332105.db2.gz UUZGKYUBLRYQPY-UTUOFQBUSA-N 1 0 326.418 0.735 20 10 ECCDRO C[C@@]1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C[NH2+]CCO1 ZINC000876729207 590405008 /nfs/dbraw/zinc/40/50/08/590405008.db2.gz HPISWFZKUWSSMJ-IBGZPJMESA-N 1 0 347.459 0.890 20 10 ECCDRO COCC[NH2+]CC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000877227225 590446157 /nfs/dbraw/zinc/44/61/57/590446157.db2.gz FYXSUNJJAJZYQD-UHFFFAOYSA-N 1 0 337.420 0.588 20 10 ECCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)c(OC)c1 ZINC000877227266 590446255 /nfs/dbraw/zinc/44/62/55/590446255.db2.gz HEYGMKYDNXURLO-PBHICJAKSA-N 1 0 349.431 0.716 20 10 ECCDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877688650 590477827 /nfs/dbraw/zinc/47/78/27/590477827.db2.gz FSNPOZHHCWSZRM-UHFFFAOYSA-N 1 0 341.477 0.677 20 10 ECCDRO CCC(=O)N[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849498 590480642 /nfs/dbraw/zinc/48/06/42/590480642.db2.gz DTPGINYRDWQYIO-AWEZNQCLSA-N 1 0 332.448 0.969 20 10 ECCDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000882484347 590553981 /nfs/dbraw/zinc/55/39/81/590553981.db2.gz AWOYIXHILOMMRN-NSHDSACASA-N 1 0 327.406 0.588 20 10 ECCDRO CC(C)([NH3+])CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000884613648 590871871 /nfs/dbraw/zinc/87/18/71/590871871.db2.gz RNPKBUMEFIKMNV-UHFFFAOYSA-N 1 0 348.447 0.383 20 10 ECCDRO CCN(C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000887066282 590935910 /nfs/dbraw/zinc/93/59/10/590935910.db2.gz IJWPCPYFHSNPSB-MRXNPFEDSA-N 1 0 332.448 0.921 20 10 ECCDRO COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](C[NH+](C)C)C3=O)C2)cc1 ZINC000924978660 611444917 /nfs/dbraw/zinc/44/49/17/611444917.db2.gz NXRVKBUDSBEHIM-UKRRQHHQSA-N 1 0 332.404 0.756 20 10 ECCDRO C[NH+](C)C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000920446768 609682468 /nfs/dbraw/zinc/68/24/68/609682468.db2.gz BCFOSWMWJOQHEE-UHFFFAOYSA-N 1 0 341.433 0.930 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)cc1F ZINC000911110475 609806404 /nfs/dbraw/zinc/80/64/04/609806404.db2.gz DHWCQCINFGQSJF-AWEZNQCLSA-N 1 0 336.411 0.704 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)ccc21 ZINC000911114492 609812602 /nfs/dbraw/zinc/81/26/02/609812602.db2.gz QZUNLBNCQUSJSF-CTYIDZIISA-N 1 0 330.432 0.539 20 10 ECCDRO CC(=O)N1CCO[C@@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000911667076 609904800 /nfs/dbraw/zinc/90/48/00/609904800.db2.gz MENTZAGEXNAIOH-JKSUJKDBSA-N 1 0 334.420 0.116 20 10 ECCDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)CN1CCOCC1 ZINC000154190653 609950199 /nfs/dbraw/zinc/95/01/99/609950199.db2.gz IEKFSTUVKBYFEI-IBGZPJMESA-N 1 0 349.475 0.648 20 10 ECCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C ZINC000969978281 732581903 /nfs/dbraw/zinc/58/19/03/732581903.db2.gz SPFNKFBBMJUWKR-KFWWJZLASA-N 1 0 331.416 0.816 20 10 ECCDRO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cn3cnnn3)C2)cc1C ZINC001026672518 741663715 /nfs/dbraw/zinc/66/37/15/741663715.db2.gz OYJWRVOKHJVPBO-HNNXBMFYSA-N 1 0 344.419 0.628 20 10 ECCDRO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)cc1C ZINC001027030966 742335461 /nfs/dbraw/zinc/33/54/61/742335461.db2.gz ZORJWWCLHYEXAZ-CABCVRRESA-N 1 0 346.431 0.623 20 10 ECCDRO CCN1C(=O)C(=CNC[C@H]2CCC[N@@H+]2CC)C(=O)N(CC)C1=S ZINC000028843123 745103205 /nfs/dbraw/zinc/10/32/05/745103205.db2.gz MOVVXQXQWKOBFO-GFCCVEGCSA-N 1 0 338.477 0.940 20 10 ECCDRO Oc1cc(O)c(CCNc2nccc(N3CC[NH2+]CC3)n2)cc1O ZINC001168009449 745738106 /nfs/dbraw/zinc/73/81/06/745738106.db2.gz INJPEMUEBTVPMW-UHFFFAOYSA-N 1 0 331.376 0.658 20 10 ECCDRO C[NH+](C)CCC(=O)NCCC1=CCN(c2nccn3nnnc23)CC1 ZINC001089856682 763237163 /nfs/dbraw/zinc/23/71/63/763237163.db2.gz FZQZWMAGXMDPBQ-UHFFFAOYSA-N 1 0 344.423 0.114 20 10 ECCDRO CC[C@H]([NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1)C(N)=O ZINC001019853926 771900212 /nfs/dbraw/zinc/90/02/12/771900212.db2.gz FOYFNPSRVHOCMW-STQMWFEESA-N 1 0 346.391 0.917 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](O)CC1)cc2=O ZINC000293074628 436847721 /nfs/dbraw/zinc/84/77/21/436847721.db2.gz JEWQKLNLXLMPRR-GFCCVEGCSA-N 1 0 334.376 0.958 20 10 ECCDRO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000284934722 437073728 /nfs/dbraw/zinc/07/37/28/437073728.db2.gz ABCDVQBCCBMCJZ-GFCCVEGCSA-N 1 0 342.417 0.977 20 10 ECCDRO C[C@@H](O)C[N@@H+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000299484425 437081556 /nfs/dbraw/zinc/08/15/56/437081556.db2.gz ZRNVLDBTTMGMBW-HZPDHXFCSA-N 1 0 348.491 0.756 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@@H]1CCC[C@H]1O)cc2=O ZINC000286465934 437090564 /nfs/dbraw/zinc/09/05/64/437090564.db2.gz KPVHWWUHFNGGJF-CHWSQXEVSA-N 1 0 334.376 0.957 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H](C)Cn1cccn1)cc2=O ZINC000265088521 437104128 /nfs/dbraw/zinc/10/41/28/437104128.db2.gz SIQGOLACQJGNSR-LLVKDONJSA-N 1 0 344.375 0.986 20 10 ECCDRO Cc1ccc(O)c(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000265240684 437104394 /nfs/dbraw/zinc/10/43/94/437104394.db2.gz LIDKSCLLNHIVQW-LSDHHAIUSA-N 1 0 340.445 0.288 20 10 ECCDRO COc1c(O)c(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000375530365 438258802 /nfs/dbraw/zinc/25/88/02/438258802.db2.gz VBCTZULJAZFDAP-AWEZNQCLSA-N 1 0 325.321 0.121 20 10 ECCDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000419711217 438368465 /nfs/dbraw/zinc/36/84/65/438368465.db2.gz RTNYBYNEWLRHKF-CYBMUJFWSA-N 1 0 328.416 0.923 20 10 ECCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419706066 438369407 /nfs/dbraw/zinc/36/94/07/438369407.db2.gz JRDSYZIUYQODNF-LBPRGKRZSA-N 1 0 328.416 0.923 20 10 ECCDRO Cn1cc(/C=C\C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c(=O)n(C)c1=O ZINC000493256590 438614500 /nfs/dbraw/zinc/61/45/00/438614500.db2.gz NWWQLNJQQFWXNP-DANTVBBOSA-N 1 0 340.383 0.014 20 10 ECCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3C[C@H](O)C[C@H]3C)CC2)cc1 ZINC000754083254 579412627 /nfs/dbraw/zinc/41/26/27/579412627.db2.gz YFWZRNQLTUERRU-NXHRZFHOSA-N 1 0 349.475 0.633 20 10 ECCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC(OC)C3)CC2)cc1 ZINC000759048401 579485685 /nfs/dbraw/zinc/48/56/85/579485685.db2.gz FVKHOBHFIGKXQF-MRXNPFEDSA-N 1 0 335.448 0.509 20 10 ECCDRO Cn1cncc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000733330673 578336156 /nfs/dbraw/zinc/33/61/56/578336156.db2.gz HUADLDBNZWUBIR-UHFFFAOYSA-N 1 0 334.445 0.945 20 10 ECCDRO COC(=O)[C@@H]1[C@H](O)CCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783705072 578744736 /nfs/dbraw/zinc/74/47/36/578744736.db2.gz UXQQQVMSHDXQPW-MSOLQXFVSA-N 1 0 347.459 0.937 20 10 ECCDRO CC(C)C[C@H](NC(=O)c1cccc(O)c1O)C(=O)NCC[NH+](C)C ZINC000790905315 578883791 /nfs/dbraw/zinc/88/37/91/578883791.db2.gz LIPGRKBFDAAGBR-ZDUSSCGKSA-N 1 0 337.420 0.920 20 10 ECCDRO Oc1cc2c(cc1C[NH+]1CCN(c3cccnn3)CC1)[C@@H](O)CO2 ZINC000768443524 579125523 /nfs/dbraw/zinc/12/55/23/579125523.db2.gz FQDOUCUPGLVMOT-HNNXBMFYSA-N 1 0 328.372 0.930 20 10 ECCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)[C@H](O)C3)CC2)cc1 ZINC000768772597 579131279 /nfs/dbraw/zinc/13/12/79/579131279.db2.gz ZZRYAEPKEHKXGB-RHSMWYFYSA-N 1 0 333.432 0.656 20 10 ECCDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775253690 579264758 /nfs/dbraw/zinc/26/47/58/579264758.db2.gz BMGHNDIWISKVNU-KGLIPLIRSA-N 1 0 349.431 0.852 20 10 ECCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000779217897 579314277 /nfs/dbraw/zinc/31/42/77/579314277.db2.gz JJRCOJJWKVGBTM-ZWKOTPCHSA-N 1 0 349.475 0.635 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)NC[C@@H](C)[NH3+])CC2)cc1 ZINC000841751477 588999799 /nfs/dbraw/zinc/99/97/99/588999799.db2.gz ZHWUPQMKFGUBIF-CQSZACIVSA-N 1 0 335.452 0.464 20 10 ECCDRO CC[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000842036832 589009190 /nfs/dbraw/zinc/00/91/90/589009190.db2.gz QZZXNBWLDQRWEM-GOEBONIOSA-N 1 0 332.448 0.955 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000842070780 589010695 /nfs/dbraw/zinc/01/06/95/589010695.db2.gz SIHXWHIGJWMALZ-GOEBONIOSA-N 1 0 346.475 0.976 20 10 ECCDRO [NH3+]CC1CCN(C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000842091657 589011429 /nfs/dbraw/zinc/01/14/29/589011429.db2.gz FZDGPBRPIGCRMK-UHFFFAOYSA-N 1 0 342.490 0.939 20 10 ECCDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000842147078 589014242 /nfs/dbraw/zinc/01/42/42/589014242.db2.gz AAXTXCXPXVHDGW-YPMHNXCESA-N 1 0 336.411 0.704 20 10 ECCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000842170539 589016698 /nfs/dbraw/zinc/01/66/98/589016698.db2.gz IDIQSAZVSZUNHK-IYBDPMFKSA-N 1 0 340.427 0.357 20 10 ECCDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842150237 589014878 /nfs/dbraw/zinc/01/48/78/589014878.db2.gz PDPOTHZMKJOFSB-BBRMVZONSA-N 1 0 344.459 0.799 20 10 ECCDRO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C[N@@H+]1C1CC1 ZINC000842165807 589016106 /nfs/dbraw/zinc/01/61/06/589016106.db2.gz HUMHUTQFYWQXOF-IUODEOHRSA-N 1 0 330.432 0.669 20 10 ECCDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842171950 589016946 /nfs/dbraw/zinc/01/69/46/589016946.db2.gz XZVPLUGPRMLVAL-INIZCTEOSA-N 1 0 330.432 0.779 20 10 ECCDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842254108 589024725 /nfs/dbraw/zinc/02/47/25/589024725.db2.gz RXCCFKGVTJRFFI-ZFWWWQNUSA-N 1 0 349.431 0.753 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2OCCN(C)C2=O)[NH+](C)C)cc1 ZINC000891246418 586088822 /nfs/dbraw/zinc/08/88/22/586088822.db2.gz NRACCCVIIJBQQV-HOTGVXAUSA-N 1 0 348.447 0.329 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC(=O)NC2)[NH+](C)C)cc1 ZINC000891255946 586156838 /nfs/dbraw/zinc/15/68/38/586156838.db2.gz SZUZKOZBQIUVOV-HOCLYGCPSA-N 1 0 332.448 0.998 20 10 ECCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892046084 586218301 /nfs/dbraw/zinc/21/83/01/586218301.db2.gz MTIOIUYKEQPIAA-LBPRGKRZSA-N 1 0 344.433 0.923 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CC(=O)N(C)C2)[NH+](C)C)cc1 ZINC000893460212 586333888 /nfs/dbraw/zinc/33/38/88/586333888.db2.gz FBQYGPWMAUHOMG-GDBMZVCRSA-N 1 0 347.463 0.885 20 10 ECCDRO COc1ccc(O)c(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000893550538 586338380 /nfs/dbraw/zinc/33/83/80/586338380.db2.gz MPAWUQGDEHGRTQ-UHFFFAOYSA-N 1 0 347.419 0.887 20 10 ECCDRO CCCN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898325912 586413959 /nfs/dbraw/zinc/41/39/59/586413959.db2.gz HSXVEXOBQFXCCG-UHFFFAOYSA-N 1 0 332.448 0.923 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCN(C)C(=O)C2)[NH+](C)C)cc1 ZINC000899097776 586469844 /nfs/dbraw/zinc/46/98/44/586469844.db2.gz GPEAJDVFMIMWDG-MRXNPFEDSA-N 1 0 347.463 0.839 20 10 ECCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000843263833 589058371 /nfs/dbraw/zinc/05/83/71/589058371.db2.gz ZXMXJOJQIKAVFZ-OLZOCXBDSA-N 1 0 332.448 0.927 20 10 ECCDRO CC(=O)N1CSC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000843299922 589060136 /nfs/dbraw/zinc/06/01/36/589060136.db2.gz ZPUVXPQPBWJXKG-GJZGRUSLSA-N 1 0 336.461 0.790 20 10 ECCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000843259878 589057902 /nfs/dbraw/zinc/05/79/02/589057902.db2.gz SKKUZISKPRKWIG-KBPBESRZSA-N 1 0 330.432 0.921 20 10 ECCDRO OCCN1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902641913 586749716 /nfs/dbraw/zinc/74/97/16/586749716.db2.gz CFPOQMKOQFMVQG-INMHGKMJSA-N 1 0 334.416 0.849 20 10 ECCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H]3COC[C@H]3OC)CC2)cc1 ZINC000839199204 586841745 /nfs/dbraw/zinc/84/17/45/586841745.db2.gz MNJHNYSPENSGCL-DLBZAZTESA-N 1 0 349.431 0.347 20 10 ECCDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000817917381 587391661 /nfs/dbraw/zinc/39/16/61/587391661.db2.gz BNPFDMPUEUXXSQ-XJKSGUPXSA-N 1 0 332.448 0.907 20 10 ECCDRO C[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818677728 587445480 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C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C(N)=O)C3)cc2)CC1 ZINC000893608556 586345791 /nfs/dbraw/zinc/34/57/91/586345791.db2.gz WJCFDRIRYMYQPP-JKSUJKDBSA-N 1 0 344.459 0.956 20 10 ECCDRO COc1ccc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(O)c1OC ZINC000894583967 586402246 /nfs/dbraw/zinc/40/22/46/586402246.db2.gz DJHKXOQISBNXJP-LBPRGKRZSA-N 1 0 344.433 0.875 20 10 ECCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H]3CC[C@H]3O)CC2)cc1 ZINC000843116433 589051488 /nfs/dbraw/zinc/05/14/88/589051488.db2.gz PPNPBMTXFKHSMG-CGTJXYLNSA-N 1 0 335.448 0.291 20 10 ECCDRO COc1ccc(N2CCC([NH2+]C[C@@]3(CO)COCCN3C)CC2)cc1 ZINC000903279921 586774729 /nfs/dbraw/zinc/77/47/29/586774729.db2.gz LNJOIZGJUFPOQA-LJQANCHMSA-N 1 0 349.475 0.947 20 10 ECCDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000843434122 589066836 /nfs/dbraw/zinc/06/68/36/589066836.db2.gz RIQUMAXTDPLWLZ-WDEREUQCSA-N 1 0 340.332 0.665 20 10 ECCDRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000905016487 586862598 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COc1ccc(N2CC[C@@H](CNC(=O)N3CCO[C@H](C[NH3+])C3)C2)cc1 ZINC000818654474 587443152 /nfs/dbraw/zinc/44/31/52/587443152.db2.gz BKGINDQSDSAAAY-WMLDXEAASA-N 1 0 348.447 0.891 20 10 ECCDRO COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])C2)cc1 ZINC000818676401 587445184 /nfs/dbraw/zinc/44/51/84/587445184.db2.gz NMROYVNRYSJGMB-OLZOCXBDSA-N 1 0 334.420 0.101 20 10 ECCDRO COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2)cc1 ZINC000818675810 587445250 /nfs/dbraw/zinc/44/52/50/587445250.db2.gz HGAFQFYTNQEFMM-KGLIPLIRSA-N 1 0 348.447 0.443 20 10 ECCDRO COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000818677991 587445668 /nfs/dbraw/zinc/44/56/68/587445668.db2.gz VUGJYCFGPMGYAA-AWEZNQCLSA-N 1 0 346.431 0.070 20 10 ECCDRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000825727766 587957866 /nfs/dbraw/zinc/95/78/66/587957866.db2.gz KKIFXRXPBZQHQO-HNNXBMFYSA-N 1 0 335.404 0.624 20 10 ECCDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)c1O ZINC000826985636 588094290 /nfs/dbraw/zinc/09/42/90/588094290.db2.gz JEXXHCNQKODCQB-PWSUYJOCSA-N 1 0 335.809 0.956 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC[NH2+][C@@H]3C)CC2)cc1 ZINC000829507018 588327593 /nfs/dbraw/zinc/32/75/93/588327593.db2.gz ZWFXMRQIFXRVEQ-CRAIPNDOSA-N 1 0 346.475 0.931 20 10 ECCDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1c(O)ccc2c1CCCC2 ZINC000830597502 588377595 /nfs/dbraw/zinc/37/75/95/588377595.db2.gz LSBDFEGTWLARHT-HNNXBMFYSA-N 1 0 331.416 0.755 20 10 ECCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(C(N)=O)cn2C)cc1 ZINC000832267316 588477309 /nfs/dbraw/zinc/47/73/09/588477309.db2.gz QGDPRBSAJPHARM-CQSZACIVSA-N 1 0 329.404 0.620 20 10 ECCDRO CO[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000832286397 588477878 /nfs/dbraw/zinc/47/78/78/588477878.db2.gz ZJPCBXVTBXHAIH-CVEARBPZSA-N 1 0 331.420 0.990 20 10 ECCDRO COc1ccc(N2CCN(C(=O)CN3CC[NH2+]C[C@H]3C)CC2)cc1 ZINC000844217082 589103285 /nfs/dbraw/zinc/10/32/85/589103285.db2.gz BLXMRQUNHZHJJM-OAHLLOKOSA-N 1 0 332.448 0.638 20 10 ECCDRO COc1cc(O)c(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)cc1OC ZINC000846035550 589182796 /nfs/dbraw/zinc/18/27/96/589182796.db2.gz WBZJHVIVOZXFCG-LLVKDONJSA-N 1 0 330.406 0.533 20 10 ECCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000846366122 589198519 /nfs/dbraw/zinc/19/85/19/589198519.db2.gz YMJQGDXCHKYKSB-OAHLLOKOSA-N 1 0 348.447 0.540 20 10 ECCDRO COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000846441956 589201799 /nfs/dbraw/zinc/20/17/99/589201799.db2.gz GXYKFWRBNQYVJS-GOSISDBHSA-N 1 0 346.475 0.980 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C[C@@H](C)O)C1CC1)cc2=O ZINC000847092336 589235189 /nfs/dbraw/zinc/23/51/89/589235189.db2.gz DKFRHOJALJLMME-SNVBAGLBSA-N 1 0 334.376 0.957 20 10 ECCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000851690665 589415287 /nfs/dbraw/zinc/41/52/87/589415287.db2.gz IYLUJJAQJQOGHM-UKRRQHHQSA-N 1 0 349.431 0.624 20 10 ECCDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851691595 589415509 /nfs/dbraw/zinc/41/55/09/589415509.db2.gz JJQOTUVLCRWURZ-CYBMUJFWSA-N 1 0 348.447 0.070 20 10 ECCDRO COc1ccc(N2CCN(C(=O)CN3CC4CC3(C[NH3+])C4)CC2)cc1 ZINC000852755911 589510553 /nfs/dbraw/zinc/51/05/53/589510553.db2.gz LEJRCJDXRLGDHG-UHFFFAOYSA-N 1 0 344.459 0.767 20 10 ECCDRO NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CC3([NH3+])CC3)cc2)C1 ZINC000852860275 589518752 /nfs/dbraw/zinc/51/87/52/589518752.db2.gz AXEHCDFVKZAUKN-AWEZNQCLSA-N 1 0 330.432 0.886 20 10 ECCDRO O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(O)C[NH2+]C1 ZINC000852869548 589520372 /nfs/dbraw/zinc/52/03/72/589520372.db2.gz GNWHNHQOFGKRKX-LLVKDONJSA-N 1 0 341.358 0.707 20 10 ECCDRO COc1ccc(N2CC[C@@H](NC(=O)NC[C@]3(O)CC[N@H+](C)C3)C2)cc1 ZINC000854299353 589578052 /nfs/dbraw/zinc/57/80/52/589578052.db2.gz ORYVJHLATCCYHN-RDTXWAMCSA-N 1 0 348.447 0.640 20 10 ECCDRO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000859782537 589716015 /nfs/dbraw/zinc/71/60/15/589716015.db2.gz RREUCIVVUQSWMU-UHFFFAOYSA-N 1 0 332.448 0.923 20 10 ECCDRO COc1cccc([C@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)c1O ZINC000866554946 589750349 /nfs/dbraw/zinc/75/03/49/589750349.db2.gz PAZYCNDHZPRLAJ-SJCJKPOMSA-N 1 0 336.388 0.679 20 10 ECCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000861742501 589884840 /nfs/dbraw/zinc/88/48/40/589884840.db2.gz IGZKYACUJRHJAG-ZIAGYGMSSA-N 1 0 348.447 0.506 20 10 ECCDRO COc1ccc(N2CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC2)cc1 ZINC000861759588 589888637 /nfs/dbraw/zinc/88/86/37/589888637.db2.gz MVTVOAWMAHEJMV-ZDUSSCGKSA-N 1 0 348.447 0.586 20 10 ECCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861801052 589893640 /nfs/dbraw/zinc/89/36/40/589893640.db2.gz FGBPTGHADMRAMA-OAHLLOKOSA-N 1 0 348.447 0.206 20 10 ECCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H]3C[C@H](OC)C3)CC2)cc1 ZINC000863587361 590025444 /nfs/dbraw/zinc/02/54/44/590025444.db2.gz WNCKRHBXPKVUSO-IEZWGBDMSA-N 1 0 349.475 0.945 20 10 ECCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC000872321040 590114590 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ECCDRO O=C(NCCCSc1nccs1)C(=O)NCC[NH2+]C1CC1 ZINC000842094183 589011605 /nfs/dbraw/zinc/01/16/05/589011605.db2.gz WRWTYPJXZQXURK-UHFFFAOYSA-N 1 0 328.463 0.610 20 10 ECCDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCCSc1nccs1 ZINC000842093821 589011646 /nfs/dbraw/zinc/01/16/46/589011646.db2.gz STIUDSREYFRHGP-WDEREUQCSA-N 1 0 342.490 0.950 20 10 ECCDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000842093936 589011791 /nfs/dbraw/zinc/01/17/91/589011791.db2.gz UYEXQIJGLQVHRT-SNVBAGLBSA-N 1 0 328.463 0.691 20 10 ECCDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC000842123148 589012156 /nfs/dbraw/zinc/01/21/56/589012156.db2.gz CVHSZEDBRNAUAG-CQSZACIVSA-N 1 0 346.431 0.132 20 10 ECCDRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842150196 589014873 /nfs/dbraw/zinc/01/48/73/589014873.db2.gz OLIJCVOOXWEUJK-UHFFFAOYSA-N 1 0 332.448 0.753 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)NC[C@H]3CCCC[NH2+]3)ccc21 ZINC000842150003 589014876 /nfs/dbraw/zinc/01/48/76/589014876.db2.gz 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589022482 /nfs/dbraw/zinc/02/24/82/589022482.db2.gz LABUHBXIGZXIKD-HNNXBMFYSA-N 1 0 332.448 0.827 20 10 ECCDRO C[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000842230035 589022931 /nfs/dbraw/zinc/02/29/31/589022931.db2.gz PHLFOFJNPCGLPB-TZMCWYRMSA-N 1 0 335.404 0.363 20 10 ECCDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842238469 589023892 /nfs/dbraw/zinc/02/38/92/589023892.db2.gz QUCZMHQYBNLERE-RDJZCZTQSA-N 1 0 344.459 0.870 20 10 ECCDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000842250588 589024532 /nfs/dbraw/zinc/02/45/32/589024532.db2.gz WBLJVTPOGUMOHG-ZFWWWQNUSA-N 1 0 349.431 0.611 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000891998293 586213567 /nfs/dbraw/zinc/21/35/67/586213567.db2.gz BFLZZXYRACWICH-INIZCTEOSA-N 1 0 331.464 0.990 20 10 ECCDRO COCCOCCS(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785454 589036389 /nfs/dbraw/zinc/03/63/89/589036389.db2.gz NOZOFGYLJSAZAH-OAHLLOKOSA-N 1 0 345.465 0.335 20 10 ECCDRO COc1ccc(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(O)c1OC ZINC000897616222 586351806 /nfs/dbraw/zinc/35/18/06/586351806.db2.gz KVZBUXMELCSBQG-TXEJJXNPSA-N 1 0 327.402 0.886 20 10 ECCDRO CN(C)c1ccc([C@H](CN2C(=O)[C@H]3C[C@@H](O)CN3C2=O)[NH+](C)C)cc1 ZINC000900184636 586529993 /nfs/dbraw/zinc/52/99/93/586529993.db2.gz CQWZMCMYFCHLSK-OAGGEKHMSA-N 1 0 346.431 0.753 20 10 ECCDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)cc1F ZINC000903968138 586829141 /nfs/dbraw/zinc/82/91/41/586829141.db2.gz JBQSWTWRHINEBN-CYBMUJFWSA-N 1 0 329.441 0.758 20 10 ECCDRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000905016497 586862805 /nfs/dbraw/zinc/86/28/05/586862805.db2.gz RZGBMURTGOCIIY-MRXNPFEDSA-N 1 0 348.447 0.158 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000803664947 587065389 /nfs/dbraw/zinc/06/53/89/587065389.db2.gz UGWLBUJNNKNQEE-CYBMUJFWSA-N 1 0 336.411 0.718 20 10 ECCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000817919187 587391883 /nfs/dbraw/zinc/39/18/83/587391883.db2.gz QPGMAWNKKBUIOT-OAHLLOKOSA-N 1 0 332.448 0.908 20 10 ECCDRO CC1(OCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C[NH2+]C1 ZINC000844173857 589098511 /nfs/dbraw/zinc/09/85/11/589098511.db2.gz ARQNUUHDPUHXSA-UHFFFAOYSA-N 1 0 347.459 0.890 20 10 ECCDRO COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818269966 587419537 /nfs/dbraw/zinc/41/95/37/587419537.db2.gz SVGUYKXZXODEGI-DOMZBBRYSA-N 1 0 335.404 0.528 20 10 ECCDRO COc1c(O)c(CN2CC[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000825338385 587933562 /nfs/dbraw/zinc/93/35/62/587933562.db2.gz PSHHQRZDWCFSAW-NSHDSACASA-N 1 0 325.365 0.807 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000825942872 587975173 /nfs/dbraw/zinc/97/51/73/587975173.db2.gz NHNSNEIQKZNVJG-MRXNPFEDSA-N 1 0 332.448 0.969 20 10 ECCDRO CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CC[N@H+](C)C1 ZINC000826706074 588079613 /nfs/dbraw/zinc/07/96/13/588079613.db2.gz FTGZPAFWIHZAGZ-INIZCTEOSA-N 1 0 332.448 0.921 20 10 ECCDRO COc1cc(O)c(C[NH2+]C[C@@]2(OCCO)CCOC2)cc1OC ZINC000826943736 588090676 /nfs/dbraw/zinc/09/06/76/588090676.db2.gz ZONUEVRBYQLXRD-INIZCTEOSA-N 1 0 327.377 0.667 20 10 ECCDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000827389527 588117959 /nfs/dbraw/zinc/11/79/59/588117959.db2.gz MOKWECOGHGUBPP-STQMWFEESA-N 1 0 339.461 0.521 20 10 ECCDRO CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000827390810 588118017 /nfs/dbraw/zinc/11/80/17/588118017.db2.gz VBPFESIBOHQCEW-AWEZNQCLSA-N 1 0 325.434 0.275 20 10 ECCDRO COC(=O)C[C@H]([NH3+])C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000827459048 588121482 /nfs/dbraw/zinc/12/14/82/588121482.db2.gz RHCOFQWTBYUCOU-HNNXBMFYSA-N 1 0 335.404 0.624 20 10 ECCDRO CO[C@H](C[NH3+])CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000827469367 588122138 /nfs/dbraw/zinc/12/21/38/588122138.db2.gz VZVKWMVBUBVHAD-HOCLYGCPSA-N 1 0 348.447 0.368 20 10 ECCDRO COc1ccc(O)c([C@@H](C)NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000828667998 588197931 /nfs/dbraw/zinc/19/79/31/588197931.db2.gz XQHXHFJYPYQFDQ-RISCZKNCSA-N 1 0 335.404 0.836 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000829505123 588327503 /nfs/dbraw/zinc/32/75/03/588327503.db2.gz KVQHRRCIVANNCZ-MRXNPFEDSA-N 1 0 346.475 0.933 20 10 ECCDRO COC(=O)CNC(=O)[C@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400929 589110430 /nfs/dbraw/zinc/11/04/30/589110430.db2.gz IDWPLPZXDUREKD-ZDUSSCGKSA-N 1 0 337.420 0.741 20 10 ECCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000851655093 589410438 /nfs/dbraw/zinc/41/04/38/589410438.db2.gz LUCJCVGMBBDYST-HIFRSBDPSA-N 1 0 347.463 0.795 20 10 ECCDRO COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000851665834 589411330 /nfs/dbraw/zinc/41/13/30/589411330.db2.gz DCYMSBZCJKKUOC-WMLDXEAASA-N 1 0 348.447 0.952 20 10 ECCDRO C[C@@H](NC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(N(C)C)cc1 ZINC000851685927 589413975 /nfs/dbraw/zinc/41/39/75/589413975.db2.gz ICCRHLDIWHNAII-KCPJHIHWSA-N 1 0 336.411 0.828 20 10 ECCDRO C[NH2+]CCCNC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851688271 589414574 /nfs/dbraw/zinc/41/45/74/589414574.db2.gz VIFVSNDPSGTTSH-ZDUSSCGKSA-N 1 0 334.420 0.116 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000852872417 589520450 /nfs/dbraw/zinc/52/04/50/589520450.db2.gz GXBIIDZBBSYIHD-SHTZXODSSA-N 1 0 332.448 0.671 20 10 ECCDRO O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1ccc(N2CCCC2)cc1 ZINC000866745836 589767059 /nfs/dbraw/zinc/76/70/59/589767059.db2.gz MPPQTYKJNIMVKZ-INIZCTEOSA-N 1 0 339.461 0.695 20 10 ECCDRO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CC[NH2+]C1 ZINC000861561995 589864236 /nfs/dbraw/zinc/86/42/36/589864236.db2.gz JITAZHUDYVLDOO-CYBMUJFWSA-N 1 0 336.411 0.948 20 10 ECCDRO C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCSc2nccs2)C[NH2+]1 ZINC000861741839 589884764 /nfs/dbraw/zinc/88/47/64/589884764.db2.gz AIKFBMMYOHUFRD-MNOVXSKESA-N 1 0 342.490 0.998 20 10 ECCDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000863749501 590033802 /nfs/dbraw/zinc/03/38/02/590033802.db2.gz SPZUZMYYARYRPB-HIFRSBDPSA-N 1 0 349.431 0.705 20 10 ECCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2CCCCC(=O)C2=O)cc1 ZINC000870933702 590040773 /nfs/dbraw/zinc/04/07/73/590040773.db2.gz UOLVHGOBAZNEQD-OAHLLOKOSA-N 1 0 346.431 0.450 20 10 ECCDRO CN(C)c1ccc(CNC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1 ZINC000880071693 590366036 /nfs/dbraw/zinc/36/60/36/590366036.db2.gz HHYJDCVHVUJEBO-ZWKOTPCHSA-N 1 0 346.475 0.510 20 10 ECCDRO COC[C@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)C[NH2+]CCO1 ZINC000876726892 590404667 /nfs/dbraw/zinc/40/46/67/590404667.db2.gz ROPJHLRNSDLUDK-SFHVURJKSA-N 1 0 349.431 0.144 20 10 ECCDRO C[NH+](C)C[C@H](N)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000876729789 590405546 /nfs/dbraw/zinc/40/55/46/590405546.db2.gz XIDHKAIWHRNOKK-KRWDZBQOSA-N 1 0 334.464 0.400 20 10 ECCDRO CN(C)c1ccc(CNC(=O)Cn2cc(CSCC[NH3+])nn2)cc1 ZINC000881094363 590436260 /nfs/dbraw/zinc/43/62/60/590436260.db2.gz ISNBZEHYPDGOEQ-UHFFFAOYSA-N 1 0 348.476 0.852 20 10 ECCDRO COc1ccc(N2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)c(OC)c1 ZINC000877227270 590446295 /nfs/dbraw/zinc/44/62/95/590446295.db2.gz HEYGMKYDNXURLO-WMLDXEAASA-N 1 0 349.431 0.716 20 10 ECCDRO CCN1CCO[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000881851032 590480584 /nfs/dbraw/zinc/48/05/84/590480584.db2.gz NLCCUVIQWRBGSI-GOSISDBHSA-N 1 0 346.475 0.775 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)CCn3cncn3)cc2)CC1 ZINC000881850043 590480743 /nfs/dbraw/zinc/48/07/43/590480743.db2.gz ZSHTUIKOGREFNE-UHFFFAOYSA-N 1 0 328.420 0.736 20 10 ECCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000878868166 590548251 /nfs/dbraw/zinc/54/82/51/590548251.db2.gz NTUJASVWCAKVLS-IBGZPJMESA-N 1 0 348.491 0.757 20 10 ECCDRO CO[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@](C)(CO)C1 ZINC000879259928 590574682 /nfs/dbraw/zinc/57/46/82/590574682.db2.gz RCQWAEYIZWQYKC-FUHWJXTLSA-N 1 0 335.448 0.841 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3COCCO3)cc2)CC1 ZINC000883165341 590608002 /nfs/dbraw/zinc/60/80/02/590608002.db2.gz CDUSIAVXSWJCQH-KRWDZBQOSA-N 1 0 348.447 0.653 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CNC(=O)C3)cc2)CC1 ZINC000883744076 590659103 /nfs/dbraw/zinc/65/91/03/590659103.db2.gz UEKYMXMXAIXIPH-HNNXBMFYSA-N 1 0 345.447 0.374 20 10 ECCDRO COCC[NH2+]CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000237202890 608834119 /nfs/dbraw/zinc/83/41/19/608834119.db2.gz CXBDSCVEZUPFLX-UHFFFAOYSA-N 1 0 335.448 0.748 20 10 ECCDRO C=CC(=O)N(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918839874 610019647 /nfs/dbraw/zinc/01/96/47/610019647.db2.gz WJADHABPICLGFV-UHFFFAOYSA-N 1 0 330.432 0.699 20 10 ECCDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918829664 610019750 /nfs/dbraw/zinc/01/97/50/610019750.db2.gz DWNYJPAJTHECTH-PKOBYXMFSA-N 1 0 346.475 0.510 20 10 ECCDRO CCC[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918862393 610021494 /nfs/dbraw/zinc/02/14/94/610021494.db2.gz YWNRDDSITYTPDL-MRXNPFEDSA-N 1 0 347.463 0.892 20 10 ECCDRO O=S(=O)(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000923593844 611274834 /nfs/dbraw/zinc/27/48/34/611274834.db2.gz DEWHFMNPIJCOGK-MRXNPFEDSA-N 1 0 339.461 0.695 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC2CC2)[NH+](C)C)cc1 ZINC000929296310 611743109 /nfs/dbraw/zinc/74/31/09/611743109.db2.gz XOEVMWCDZMUBQD-MRXNPFEDSA-N 1 0 332.448 0.998 20 10 ECCDRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1)C(N)=O ZINC000970837114 734002292 /nfs/dbraw/zinc/00/22/92/734002292.db2.gz FOYFNPSRVHOCMW-OLZOCXBDSA-N 1 0 346.391 0.917 20 10 ECCDRO CC[N@H+](CCO)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000123077448 741475734 /nfs/dbraw/zinc/47/57/34/741475734.db2.gz ZGMGQRJNDZMGBH-UHFFFAOYSA-N 1 0 339.411 0.593 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCNC3=O)C2)cc1C ZINC001022543730 758865683 /nfs/dbraw/zinc/86/56/83/758865683.db2.gz UEXMJSSDVXPHQO-QLFBSQMISA-N 1 0 331.416 0.877 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CS(C)(=O)=O)C2)cc1C ZINC001018586011 769575219 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20 10 ECCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000852857131 589518505 /nfs/dbraw/zinc/51/85/05/589518505.db2.gz JTNGFXDKTAQCEM-DLBZAZTESA-N 1 0 333.432 0.845 20 10 ECCDRO CN(C)c1ccc(CNC(=O)CN2CCc3cnc(N)nc3C2)cc1 ZINC000857925156 589717161 /nfs/dbraw/zinc/71/71/61/589717161.db2.gz HSRHUTRVVFMICW-UHFFFAOYSA-N 1 0 340.431 0.799 20 10 ECCDRO Cc1cc(C[NH+]2CCC(NS(N)(=O)=O)CC2)ccc1N(C)C ZINC000859958386 589731304 /nfs/dbraw/zinc/73/13/04/589731304.db2.gz RXRBLSLJHPULOX-UHFFFAOYSA-N 1 0 326.466 0.819 20 10 ECCDRO C[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])c1ccc(N(C)C)cc1 ZINC000861768084 589890004 /nfs/dbraw/zinc/89/00/04/589890004.db2.gz WLTQZNIJHODSND-ZDUSSCGKSA-N 1 0 336.436 0.364 20 10 ECCDRO Cc1ccc(O)c(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000862025877 589914902 /nfs/dbraw/zinc/91/49/02/589914902.db2.gz SBPFOQVPTRNFDW-UHFFFAOYSA-N 1 0 345.403 0.714 20 10 ECCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000863754003 590034635 /nfs/dbraw/zinc/03/46/35/590034635.db2.gz 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ZINC000276948887 437180139 /nfs/dbraw/zinc/18/01/39/437180139.db2.gz DLVZCIOSSBIPMA-LSDHHAIUSA-N 1 0 334.464 0.917 20 10 ECCDRO CN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287997798 437264470 /nfs/dbraw/zinc/26/44/70/437264470.db2.gz AXXGIXYNGJMIIN-UHFFFAOYSA-N 1 0 330.432 0.699 20 10 ECCDRO COc1c([O-])c(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366554462 438091568 /nfs/dbraw/zinc/09/15/68/438091568.db2.gz LPPAXHVSCBLOLA-ZJUUUORDSA-N 1 0 335.316 0.404 20 10 ECCDRO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(O)c1O ZINC000368436805 438330014 /nfs/dbraw/zinc/33/00/14/438330014.db2.gz ZPIXVKLTDJKKFR-AWEZNQCLSA-N 1 0 347.415 0.961 20 10 ECCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000419705686 438370075 /nfs/dbraw/zinc/37/00/75/438370075.db2.gz JIEQVIHFHSSSMC-ZDUSSCGKSA-N 1 0 328.416 0.829 20 10 ECCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000749131203 579333788 /nfs/dbraw/zinc/33/37/88/579333788.db2.gz HEZJIIQAIBVKJQ-LBPRGKRZSA-N 1 0 325.434 0.275 20 10 ECCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@@](C)(O)C3)CC2)cc1 ZINC000754050739 579411753 /nfs/dbraw/zinc/41/17/53/579411753.db2.gz ROBQVFDFZWMCLU-IEBWSBKVSA-N 1 0 349.475 0.635 20 10 ECCDRO CCOc1ccc(C[NH2+]CCNS(=O)(=O)NC(C)C)c(O)c1 ZINC000758559129 579476603 /nfs/dbraw/zinc/47/66/03/579476603.db2.gz CEDAYJIBYLAIFF-UHFFFAOYSA-N 1 0 331.438 0.713 20 10 ECCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793588214 578931606 /nfs/dbraw/zinc/93/16/06/578931606.db2.gz LFFJWSAYFZIGNM-FZMZJTMJSA-N 1 0 342.417 0.284 20 10 ECCDRO C[N@H+](CCN1CCCS1(=O)=O)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768466653 579126402 /nfs/dbraw/zinc/12/64/02/579126402.db2.gz SZMLNIFNLRCQGE-CQSZACIVSA-N 1 0 342.417 0.285 20 10 ECCDRO COc1c(O)c(C[NH2+]CC(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000774979870 579260540 /nfs/dbraw/zinc/26/05/40/579260540.db2.gz CZQKUDOYTIUGFJ-UHFFFAOYSA-N 1 0 338.364 0.173 20 10 ECCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000779217892 579314309 /nfs/dbraw/zinc/31/43/09/579314309.db2.gz JJRCOJJWKVGBTM-ROUUACIJSA-N 1 0 349.475 0.635 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000842069777 589010548 /nfs/dbraw/zinc/01/05/48/589010548.db2.gz BTPUDSVXWHYJCQ-OCCSQVGLSA-N 1 0 334.464 0.819 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000842070028 589010632 /nfs/dbraw/zinc/01/06/32/589010632.db2.gz KNLKWECLUNBODD-CXAGYDPISA-N 1 0 346.475 0.962 20 10 ECCDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000842091196 589011548 /nfs/dbraw/zinc/01/15/48/589011548.db2.gz CUNAWDYEENNJBR-GHMZBOCLSA-N 1 0 342.490 0.856 20 10 ECCDRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000842094234 589011795 /nfs/dbraw/zinc/01/17/95/589011795.db2.gz WXACPMRWEUTAGK-LLVKDONJSA-N 1 0 342.490 0.939 20 10 ECCDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000842147077 589014177 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20 10 ECCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000843299884 589060298 /nfs/dbraw/zinc/06/02/98/589060298.db2.gz YUQPUJYDLHXVBU-GFCCVEGCSA-N 1 0 333.352 0.069 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000807100337 587119045 /nfs/dbraw/zinc/11/90/45/587119045.db2.gz JJNPAXHBFVHPQS-HNNXBMFYSA-N 1 0 332.448 0.888 20 10 ECCDRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807290742 587124697 /nfs/dbraw/zinc/12/46/97/587124697.db2.gz NDBNHOXSOZBWSG-MRXNPFEDSA-N 1 0 342.443 0.889 20 10 ECCDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000817918524 587391849 /nfs/dbraw/zinc/39/18/49/587391849.db2.gz KLMHVNWHCMKZFD-XJKSGUPXSA-N 1 0 348.447 0.286 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000817919054 587391851 /nfs/dbraw/zinc/39/18/51/587391851.db2.gz OZDGFWYBVHOLTG-IBGZPJMESA-N 1 0 344.459 0.923 20 10 ECCDRO CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000817974303 587394070 /nfs/dbraw/zinc/39/40/70/587394070.db2.gz KQTRGJYFJHHQCD-OAHLLOKOSA-N 1 0 349.431 0.707 20 10 ECCDRO COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000818677993 587445649 /nfs/dbraw/zinc/44/56/49/587445649.db2.gz VUGJYCFGPMGYAA-CQSZACIVSA-N 1 0 346.431 0.070 20 10 ECCDRO CC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818677269 587445700 /nfs/dbraw/zinc/44/57/00/587445700.db2.gz SABAMYKJDKQDMR-CQSZACIVSA-N 1 0 348.447 0.363 20 10 ECCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCOC1C[NH2+]C1 ZINC000826030641 587982925 /nfs/dbraw/zinc/98/29/25/587982925.db2.gz JPMCWTNIORELLG-UHFFFAOYSA-N 1 0 333.432 0.860 20 10 ECCDRO O=C(NCc1ccc(N2CCOCC2)cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000827567561 588128612 /nfs/dbraw/zinc/12/86/12/588128612.db2.gz PJBAURYSYRSQLV-UHFFFAOYSA-N 1 0 341.415 0.822 20 10 ECCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000832173277 588471853 /nfs/dbraw/zinc/47/18/53/588471853.db2.gz QKEVETJDUMUVQF-QGZVFWFLSA-N 1 0 344.459 0.971 20 10 ECCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@H]3CCCO3)CC2)cc1 ZINC000849327748 589325898 /nfs/dbraw/zinc/32/58/98/589325898.db2.gz RILPWDFBJYOJCQ-MJGOQNOKSA-N 1 0 349.475 0.947 20 10 ECCDRO COc1ccc(N2CCC(NC(=O)c3cn(CC[NH3+])nn3)CC2)cc1 ZINC000851631262 589409207 /nfs/dbraw/zinc/40/92/07/589409207.db2.gz ZJTPJYLCCRJEKX-UHFFFAOYSA-N 1 0 344.419 0.644 20 10 ECCDRO C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)[C@H](C[NH3+])C1 ZINC000851684409 589413301 /nfs/dbraw/zinc/41/33/01/589413301.db2.gz AXINRJRVGUPAAO-CJNGLKHVSA-N 1 0 332.448 0.955 20 10 ECCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000851684794 589413386 /nfs/dbraw/zinc/41/33/86/589413386.db2.gz HYHRFHWSODHCNC-UONOGXRCSA-N 1 0 334.464 0.832 20 10 ECCDRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC[C@H]1F ZINC000851687191 589414224 /nfs/dbraw/zinc/41/42/24/589414224.db2.gz ZGELMIQJRWNPDS-HZPDHXFCSA-N 1 0 348.422 0.801 20 10 ECCDRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851687383 589414579 /nfs/dbraw/zinc/41/45/79/589414579.db2.gz AAHQNCFHUCMWTN-AWEZNQCLSA-N 1 0 348.447 0.506 20 10 ECCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851690127 589415352 /nfs/dbraw/zinc/41/53/52/589415352.db2.gz ZNYIEHMEMOPTIE-KBPBESRZSA-N 1 0 348.447 0.362 20 10 ECCDRO CN(CCC[NH3+])C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851690799 589415357 /nfs/dbraw/zinc/41/53/57/589415357.db2.gz BOMIHXBEBIFRHR-UHFFFAOYSA-N 1 0 348.447 0.071 20 10 ECCDRO O=C(C[C@@H]1COCC[NH2+]1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868800 589520275 /nfs/dbraw/zinc/52/02/75/589520275.db2.gz OKORMRDTXAWEBL-OAHLLOKOSA-N 1 0 333.432 0.642 20 10 ECCDRO CNS(=O)(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000856731496 589672145 /nfs/dbraw/zinc/67/21/45/589672145.db2.gz QGXFSLCXWMIZRZ-CQSZACIVSA-N 1 0 328.434 0.922 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1F ZINC000857102635 589686820 /nfs/dbraw/zinc/68/68/20/589686820.db2.gz HNXBKDBNTOKTNJ-SCLBCKFNSA-N 1 0 348.422 0.848 20 10 ECCDRO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000858570666 589757542 /nfs/dbraw/zinc/75/75/42/589757542.db2.gz NLKDXXANZUXMHA-GFCCVEGCSA-N 1 0 326.466 0.894 20 10 ECCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c1 ZINC000858569411 589757886 /nfs/dbraw/zinc/75/78/86/589757886.db2.gz GOBTVOWUXBFTQO-SNVBAGLBSA-N 1 0 329.422 0.542 20 10 ECCDRO COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000861686782 589874548 /nfs/dbraw/zinc/87/45/48/589874548.db2.gz DOOQCIIFGYFBHC-AWEZNQCLSA-N 1 0 336.436 0.761 20 10 ECCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000861750875 589887063 /nfs/dbraw/zinc/88/70/63/589887063.db2.gz WJWBFHGFAFYRLT-UONOGXRCSA-N 1 0 336.411 0.765 20 10 ECCDRO COc1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1Cn1cccn1 ZINC000873131487 590184722 /nfs/dbraw/zinc/18/47/22/590184722.db2.gz SMOXBHHYZOJPOU-MRXNPFEDSA-N 1 0 342.403 0.682 20 10 ECCDRO COc1ccc(N2CCN(C(=O)[C@@]3(C)C[NH2+]CCO3)CC2)c(OC)c1 ZINC000877228240 590446267 /nfs/dbraw/zinc/44/62/67/590446267.db2.gz XDXXRSOYUKJCEF-GOSISDBHSA-N 1 0 349.431 0.731 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C(N)=O)O3)cc2)CC1 ZINC000881854908 590481461 /nfs/dbraw/zinc/48/14/61/590481461.db2.gz KXOHZQMNRLUCCX-CVEARBPZSA-N 1 0 346.431 0.088 20 10 ECCDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3nnn(C)n3)cc2F)CC1 ZINC000878761610 590540613 /nfs/dbraw/zinc/54/06/13/590540613.db2.gz OXIPNEJRJGUMDU-UHFFFAOYSA-N 1 0 347.398 0.421 20 10 ECCDRO COCCS(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882664578 590571408 /nfs/dbraw/zinc/57/14/08/590571408.db2.gz XPEHEXQQMYJARH-UHFFFAOYSA-N 1 0 327.450 0.504 20 10 ECCDRO CO[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@](C)(CO)C1 ZINC000879259929 590574687 /nfs/dbraw/zinc/57/46/87/590574687.db2.gz RCQWAEYIZWQYKC-SJLPKXTDSA-N 1 0 335.448 0.841 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3COCCO3)cc2)CC1 ZINC000883165342 590608121 /nfs/dbraw/zinc/60/81/21/590608121.db2.gz CDUSIAVXSWJCQH-QGZVFWFLSA-N 1 0 348.447 0.653 20 10 ECCDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000884613096 590871875 /nfs/dbraw/zinc/87/18/75/590871875.db2.gz CWIVJJCYVQZQRX-HIFRSBDPSA-N 1 0 346.431 0.088 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCOC[C@H]3O)cc2)CC1 ZINC000889659113 591069528 /nfs/dbraw/zinc/06/95/28/591069528.db2.gz QUWKCBJZNITRMZ-IAGOWNOFSA-N 1 0 348.447 0.387 20 10 ECCDRO CN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1COC[C@H]1O ZINC000889658373 591069787 /nfs/dbraw/zinc/06/97/87/591069787.db2.gz DVKWEWLLAHURMU-IAGOWNOFSA-N 1 0 348.447 0.340 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC=C[C@@H]3CO)cc2)CC1 ZINC000889658463 591070003 /nfs/dbraw/zinc/07/00/03/591070003.db2.gz FUVSYVAYGBYFTR-QGZVFWFLSA-N 1 0 330.432 0.881 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCN(C)C2=O)[NH+](C)C)cc1 ZINC000891247939 608673463 /nfs/dbraw/zinc/67/34/63/608673463.db2.gz IWNWLQUKOLXBKU-CVEARBPZSA-N 1 0 332.448 0.950 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)CN2CCOCC2)[NH+](C)C)cc1 ZINC000891248667 608673584 /nfs/dbraw/zinc/67/35/84/608673584.db2.gz MPMDGMMRHDZRCC-KRWDZBQOSA-N 1 0 334.464 0.804 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)[NH+](C)C)cc1 ZINC000891248921 608674615 /nfs/dbraw/zinc/67/46/15/608674615.db2.gz OPRBDCXOEDNXCT-UONOGXRCSA-N 1 0 347.419 0.070 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911123261 609808623 /nfs/dbraw/zinc/80/86/23/609808623.db2.gz GNIFWLOGYUCVCX-HNNXBMFYSA-N 1 0 332.448 0.873 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)ccc21 ZINC000911113342 609811875 /nfs/dbraw/zinc/81/18/75/609811875.db2.gz NKKJMRXWPDRTSO-OWCLPIDISA-N 1 0 342.443 0.694 20 10 ECCDRO COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000911225515 609832568 /nfs/dbraw/zinc/83/25/68/609832568.db2.gz GOJPLSZPNWNCDJ-XJKSGUPXSA-N 1 0 348.447 0.377 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)cc1 ZINC000911521310 609891264 /nfs/dbraw/zinc/89/12/64/609891264.db2.gz MUWCWKRJIDUKHY-HNNXBMFYSA-N 1 0 332.448 0.825 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@]([NH3+])(CO)C2)cc1 ZINC000923478834 611249496 /nfs/dbraw/zinc/24/94/96/611249496.db2.gz SMXCZENPISZSCF-GOSISDBHSA-N 1 0 334.464 0.497 20 10 ECCDRO O=S(=O)(NCc1ccc(N2CCC(CO)CC2)cc1)C1C[NH2+]C1 ZINC000923613502 611329416 /nfs/dbraw/zinc/32/94/16/611329416.db2.gz CMFAGRJGVBXCFW-UHFFFAOYSA-N 1 0 339.461 0.287 20 10 ECCDRO NC(=O)C[NH2+]C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000997391983 743565050 /nfs/dbraw/zinc/56/50/50/743565050.db2.gz PWLCUEBXKIQMRB-UHFFFAOYSA-N 1 0 332.364 0.529 20 10 ECCDRO Oc1cc(O)c(CCNc2cnc(O[C@@H]3CC[NH2+]C3)nc2)cc1O ZINC001168006088 745611466 /nfs/dbraw/zinc/61/14/66/745611466.db2.gz RVKACZZICAHGOB-GFCCVEGCSA-N 1 0 332.360 0.989 20 10 ECCDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)cc1C ZINC000979352294 747677794 /nfs/dbraw/zinc/67/77/94/747677794.db2.gz BKPBTZDNQGMPRG-SWLSCSKDSA-N 1 0 335.404 0.194 20 10 ECCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)cc1C ZINC000979352296 747677991 /nfs/dbraw/zinc/67/79/91/747677991.db2.gz BKPBTZDNQGMPRG-WFASDCNBSA-N 1 0 335.404 0.194 20 10 ECCDRO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1)C(N)=O ZINC001021116715 752554594 /nfs/dbraw/zinc/55/45/94/752554594.db2.gz OBTOZLQPYCKQEJ-AVGNSLFASA-N 1 0 346.391 0.963 20 10 ECCDRO COc1ccc(C[NH2+]C2CCN(C(=O)Cn3cnnn3)CC2)cc1C ZINC000989917479 754549870 /nfs/dbraw/zinc/54/98/70/754549870.db2.gz GDJHLOKJQWLWLL-UHFFFAOYSA-N 1 0 344.419 0.771 20 10 ECCDRO CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1[NH2+]CC(N)=O ZINC000996685233 758468399 /nfs/dbraw/zinc/46/83/99/758468399.db2.gz ACIRVIXBLHCKCY-GFCCVEGCSA-N 1 0 346.391 0.775 20 10 ECCDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccnn3C)C2)cc(OC)n1 ZINC001022367975 758633066 /nfs/dbraw/zinc/63/30/66/758633066.db2.gz NXGOAVWJJOSKDU-BETUJISGSA-N 1 0 345.403 0.883 20 10 ECCDRO C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C[NH2+]CC(N)=O ZINC001107057068 759575767 /nfs/dbraw/zinc/57/57/67/759575767.db2.gz KZAAFGGBOYDTOI-ZYHUDNBSSA-N 1 0 346.391 0.632 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C)cc1C ZINC001054651050 768129190 /nfs/dbraw/zinc/12/91/90/768129190.db2.gz VCUXTBRIQOMATH-ZFWWWQNUSA-N 1 0 344.419 0.627 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)cc1C ZINC001019977178 772049777 /nfs/dbraw/zinc/04/97/77/772049777.db2.gz GASPQOGWDYPKCZ-HDJSIYSDSA-N 1 0 330.392 0.427 20 10 ECCDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccn(C)n3)C2)cc(OC)n1 ZINC001020352417 772482861 /nfs/dbraw/zinc/48/28/61/772482861.db2.gz NOUBWAMZRGALDV-HDJSIYSDSA-N 1 0 345.403 0.883 20 10 ECCDRO CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267476619 837509699 /nfs/dbraw/zinc/50/96/99/837509699.db2.gz JCPHKHVXLMIEGC-CYBMUJFWSA-N 1 0 346.391 0.789 20 10 ECCDRO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)cc1C ZINC001268081071 839280445 /nfs/dbraw/zinc/28/04/45/839280445.db2.gz PIKKBOFZUMMOJM-TZMCWYRMSA-N 1 0 334.420 0.622 20 10 ECCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000114161911 254492963 /nfs/dbraw/zinc/49/29/63/254492963.db2.gz YTCHNEYTDWYQJB-OAHLLOKOSA-N 1 0 332.448 0.779 20 10 ECCDRO CS(=O)(=O)NCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000109761745 436626017 /nfs/dbraw/zinc/62/60/17/436626017.db2.gz PZNNFOPKHVHISL-AWEZNQCLSA-N 1 0 328.434 0.922 20 10 ECCDRO O=S1(=O)C[C@H]([NH2+]Cc2cc(F)ccc2O)[C@@H](N2CCOCC2)C1 ZINC000272527499 436719219 /nfs/dbraw/zinc/71/92/19/436719219.db2.gz ZEUROJSIJIYYLR-KBPBESRZSA-N 1 0 344.408 0.119 20 10 ECCDRO C[NH+](C)C[C@](C)(O)CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000153325273 436754213 /nfs/dbraw/zinc/75/42/13/436754213.db2.gz OTJLGZSNTVSLKZ-MBNRZODZSA-N 1 0 347.459 0.965 20 10 ECCDRO O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCN1CC[NH2+]CC1 ZINC000238082467 436754992 /nfs/dbraw/zinc/75/49/92/436754992.db2.gz RWQWBIOOIBWIAU-ZZXKWVIFSA-N 1 0 344.459 0.558 20 10 ECCDRO CCS(=O)(=O)NCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000069219761 436765237 /nfs/dbraw/zinc/76/52/37/436765237.db2.gz HYLAQWBVGOWVSU-UHFFFAOYSA-N 1 0 341.477 0.894 20 10 ECCDRO C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)[N@H+](C)C1CC1 ZINC000069533711 436778998 /nfs/dbraw/zinc/77/89/98/436778998.db2.gz IZJFYYQNBBREML-JTQLQIEISA-N 1 0 341.433 0.976 20 10 ECCDRO COC(=O)CN(CCN1CC[NH+](C)CC1)Cc1cccc(F)c1O ZINC000281194965 436953456 /nfs/dbraw/zinc/95/34/56/436953456.db2.gz IQTRRXBLDRAMTA-UHFFFAOYSA-N 1 0 339.411 0.754 20 10 ECCDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1OC ZINC000279352677 437396662 /nfs/dbraw/zinc/39/66/62/437396662.db2.gz GHRDMRDOGMTHEN-INIZCTEOSA-N 1 0 335.360 0.583 20 10 ECCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000269247942 437473892 /nfs/dbraw/zinc/47/38/92/437473892.db2.gz VVZMAVXZJBGEKR-KRWDZBQOSA-N 1 0 333.432 0.860 20 10 ECCDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000187200244 437495791 /nfs/dbraw/zinc/49/57/91/437495791.db2.gz YHYIRVLPBVTPGS-ZDUSSCGKSA-N 1 0 327.450 0.723 20 10 ECCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[C@H](OC)C[NH2+]3)CC2)cc1F ZINC000187978707 437517799 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CN(C)c1ccc([C@@H](CNC(=O)N[C@H]2CCCNC2=O)[NH+](C)C)cc1 ZINC000892639337 586278314 /nfs/dbraw/zinc/27/83/14/586278314.db2.gz BRSJNSIFUZNJOG-JKSUJKDBSA-N 1 0 347.463 0.933 20 10 ECCDRO O=S(=O)(CC[NH2+]Cc1cc2c(cc1O)OCO2)N1CCCC1 ZINC000897832256 586374837 /nfs/dbraw/zinc/37/48/37/586374837.db2.gz MKYJTTJKNCJUJZ-UHFFFAOYSA-N 1 0 328.390 0.636 20 10 ECCDRO COc1cc(C)cc(C[NH2+]CCS(=O)(=O)N2CCOCC2)c1O ZINC000894243279 586382355 /nfs/dbraw/zinc/38/23/55/586382355.db2.gz JFFLUBJJSNGZDY-UHFFFAOYSA-N 1 0 344.433 0.461 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCNC(=O)CC2)[NH+](C)C)cc1 ZINC000899101370 586470198 /nfs/dbraw/zinc/47/01/98/586470198.db2.gz JVKPYHNIBUHPFO-MRXNPFEDSA-N 1 0 347.463 0.887 20 10 ECCDRO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cc(C)nn3)CC2)cc1 ZINC000899901033 586511970 /nfs/dbraw/zinc/51/19/70/586511970.db2.gz AVPJLRHYQVTJEA-MRXNPFEDSA-N 1 0 331.420 0.778 20 10 ECCDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000843435930 589066670 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ECCDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852414901 589495468 /nfs/dbraw/zinc/49/54/68/589495468.db2.gz AVEJUWCRIRMGBT-GOEBONIOSA-N 1 0 335.404 0.289 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000852497124 589498761 /nfs/dbraw/zinc/49/87/61/589498761.db2.gz UAUQIRURUFJMBV-RDJZCZTQSA-N 1 0 344.459 0.969 20 10 ECCDRO COc1ccc(N2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)cc1F ZINC000852812959 589514154 /nfs/dbraw/zinc/51/41/54/589514154.db2.gz FTAABOZPTZOAKC-UHFFFAOYSA-N 1 0 348.382 0.347 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000852917879 589525742 /nfs/dbraw/zinc/52/57/42/589525742.db2.gz SSJFMJVZNZOYBH-HUUCEWRRSA-N 1 0 336.411 0.609 20 10 ECCDRO COc1ccc(N2CCN(C(=O)CN3C[C@H]([NH3+])C[C@@H]3C)CC2)cc1 ZINC000866682926 589758055 /nfs/dbraw/zinc/75/80/55/589758055.db2.gz OIXSPCQWBMAYHB-LSDHHAIUSA-N 1 0 332.448 0.765 20 10 ECCDRO CN(Cc1ccccc1O)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866834907 589785739 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Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884531470 590851241 /nfs/dbraw/zinc/85/12/41/590851241.db2.gz MYJCSAVKUVUSKF-UKRRQHHQSA-N 1 0 332.448 0.730 20 10 ECCDRO C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCc3ccc(N)cc3)CC[C@H]21 ZINC000884693766 590898840 /nfs/dbraw/zinc/89/88/40/590898840.db2.gz NVNXWSMUMRVOBN-GOEBONIOSA-N 1 0 330.432 0.480 20 10 ECCDRO CC[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C(N)=O ZINC000889662241 591069993 /nfs/dbraw/zinc/06/99/93/591069993.db2.gz AJVVMXJGHBYCAT-OAHLLOKOSA-N 1 0 333.436 0.502 20 10 ECCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(CO)COCCN2C)cc1F ZINC000922533860 611353766 /nfs/dbraw/zinc/35/37/66/611353766.db2.gz OVFQBYIOECFXBX-INIZCTEOSA-N 1 0 329.391 0.814 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CCNC2=O)[NH+](C)C)cc1 ZINC000891247719 608673524 /nfs/dbraw/zinc/67/35/24/608673524.db2.gz UNYDGQZCRVDYTA-QAPCUYQASA-N 1 0 332.448 0.998 20 10 ECCDRO C[C@@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)NC(N)=O ZINC000891248216 608673725 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COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000911225514 609832582 /nfs/dbraw/zinc/83/25/82/609832582.db2.gz GOJPLSZPNWNCDJ-CZUORRHYSA-N 1 0 348.447 0.377 20 10 ECCDRO COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)C2)cc1 ZINC000912291709 609944165 /nfs/dbraw/zinc/94/41/65/609944165.db2.gz BJHBNHFYAOJOQG-DHSIGJKJSA-N 1 0 333.432 0.845 20 10 ECCDRO Cn1cc([C@@H](O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000918851751 610020785 /nfs/dbraw/zinc/02/07/85/610020785.db2.gz ARXSXNUPDCMRTD-QGZVFWFLSA-N 1 0 343.431 0.522 20 10 ECCDRO O=S(=O)(NCc1ccc(N2CCOCC2)c(F)c1)C1C[NH2+]C1 ZINC000923591848 611271436 /nfs/dbraw/zinc/27/14/36/611271436.db2.gz FGNSFFRFIFCRFN-UHFFFAOYSA-N 1 0 329.397 0.054 20 10 ECCDRO C[C@@](Cn1cccn1)([NH2+]Cc1ccc(N2CCOCC2)cc1)C(N)=O ZINC000934220795 611780764 /nfs/dbraw/zinc/78/07/64/611780764.db2.gz YVXBGHUOZDSFFK-SFHVURJKSA-N 1 0 343.431 0.754 20 10 ECCDRO COc1cc(C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)cc(OC)n1 ZINC000984210756 746053967 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20 10 ECCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)cc1C ZINC001019678706 771705911 /nfs/dbraw/zinc/70/59/11/771705911.db2.gz UQZXHKHNCRRKNE-GJZGRUSLSA-N 1 0 331.416 0.973 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3COC(=O)N3)C2)cc1C ZINC001020121350 772182677 /nfs/dbraw/zinc/18/26/77/772182677.db2.gz IIZPQDLLBNVBEA-MGPQQGTHSA-N 1 0 333.388 0.849 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)cc1C ZINC001020158194 772227814 /nfs/dbraw/zinc/22/78/14/772227814.db2.gz OGZRJAMLTMKSHS-HDJSIYSDSA-N 1 0 330.392 0.427 20 10 ECCDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)c2nnn(C)n2)cc1C ZINC001045159358 775070456 /nfs/dbraw/zinc/07/04/56/775070456.db2.gz OLLSXSHJUHHSDY-AWEZNQCLSA-N 1 0 344.419 0.922 20 10 ECCDRO COc1c([O-])c(C[NH2+]CCCn2cc(CO)nn2)ccc1[N+](=O)[O-] ZINC000291705729 437621329 /nfs/dbraw/zinc/62/13/29/437621329.db2.gz ZJABTCONUMQWHK-UHFFFAOYSA-N 1 0 337.336 0.573 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C(N)=O)CC1)cc2=O ZINC000051185698 436485438 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C[NH+](C)CCNC(=O)Cn1cc(NC(=O)Cc2ccc(N)cc2)cn1 ZINC000262671114 436940238 /nfs/dbraw/zinc/94/02/38/436940238.db2.gz OISZAJUOTOSDHV-UHFFFAOYSA-N 1 0 344.419 0.324 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCO)C1CCC1)cc2=O ZINC000275884225 437024780 /nfs/dbraw/zinc/02/47/80/437024780.db2.gz QTWAPQMHRIWCGM-UHFFFAOYSA-N 1 0 334.376 0.958 20 10 ECCDRO CN(C)c1ccc(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000264582407 437048442 /nfs/dbraw/zinc/04/84/42/437048442.db2.gz JVAZTGKYEMBYGT-INIZCTEOSA-N 1 0 347.463 0.892 20 10 ECCDRO O=C1CNC(=O)N1CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264674569 437061517 /nfs/dbraw/zinc/06/15/17/437061517.db2.gz AIKKPBFVGZMJDE-CQSZACIVSA-N 1 0 333.388 0.925 20 10 ECCDRO C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)C[NH+]1CCN(C)CC1 ZINC000276583036 437132894 /nfs/dbraw/zinc/13/28/94/437132894.db2.gz LWPWMOJJFFHYLV-NSHDSACASA-N 1 0 325.384 0.850 20 10 ECCDRO Cc1cccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c1O ZINC000179603368 437268556 /nfs/dbraw/zinc/26/85/56/437268556.db2.gz CWSCANBXWSQDGB-UHFFFAOYSA-N 1 0 333.432 0.677 20 10 ECCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1O ZINC000183609912 437387748 /nfs/dbraw/zinc/38/77/48/437387748.db2.gz DJPZKCOGCTWKPH-LSDHHAIUSA-N 1 0 333.432 0.976 20 10 ECCDRO O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000372238270 438053384 /nfs/dbraw/zinc/05/33/84/438053384.db2.gz KSQZUMGGPFTPGN-GFCCVEGCSA-N 1 0 340.401 0.777 20 10 ECCDRO COc1ccc(O)c([C@H](C)N2CCO[C@@H](CN(C)CC(N)=O)C2)c1 ZINC000377697272 438324193 /nfs/dbraw/zinc/32/41/93/438324193.db2.gz OELZMPAOJDVREC-JSGCOSHPSA-N 1 0 337.420 0.580 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](CCCO)C1CC1)cc2=O ZINC000735871888 578398409 /nfs/dbraw/zinc/39/84/09/578398409.db2.gz GGUGDZGTZMIACH-UHFFFAOYSA-N 1 0 334.376 0.958 20 10 ECCDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(N2CCOCC2)cc1 ZINC000841742405 588999748 /nfs/dbraw/zinc/99/97/48/588999748.db2.gz XBSSUOCJWQALEF-YOEHRIQHSA-N 1 0 348.447 0.872 20 10 ECCDRO C[NH+](C)C1(CNC(=O)C(=O)NCCc2ccc(N)cc2)CCCC1 ZINC000842024020 589008787 /nfs/dbraw/zinc/00/87/87/589008787.db2.gz LESRKQZHFPSTBN-UHFFFAOYSA-N 1 0 332.448 0.918 20 10 ECCDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCCSc1nccs1 ZINC000842092880 589011420 /nfs/dbraw/zinc/01/14/20/589011420.db2.gz NGVFOGKSIHGQDH-MNOVXSKESA-N 1 0 342.490 0.937 20 10 ECCDRO O=C(NCCCSc1nccs1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000842091557 589011488 /nfs/dbraw/zinc/01/14/88/589011488.db2.gz FNLDWAKRVTWKTR-NSHDSACASA-N 1 0 342.490 1.000 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)NCCC[NH2+]C2CC2)cc1F ZINC000842149374 589014470 /nfs/dbraw/zinc/01/44/70/589014470.db2.gz XNWVZJADNDNWRG-UHFFFAOYSA-N 1 0 336.411 0.766 20 10 ECCDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000842149618 589014729 /nfs/dbraw/zinc/01/47/29/589014729.db2.gz CJLWOIQCGNFGER-CZUORRHYSA-N 1 0 344.459 0.881 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)NCC3=CC[NH2+]CC3)ccc21 ZINC000842149650 589014794 /nfs/dbraw/zinc/01/47/94/589014794.db2.gz DKTFSSZQVJJNRJ-UHFFFAOYSA-N 1 0 342.443 0.721 20 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589020968 /nfs/dbraw/zinc/02/09/68/589020968.db2.gz CUORVLHSSNAYAC-ZDUSSCGKSA-N 1 0 336.411 0.848 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCNC2=O)[NH+](C)C)cc1 ZINC000891245221 586088889 /nfs/dbraw/zinc/08/88/89/586088889.db2.gz AGVHVTCNWPOUGE-HZPDHXFCSA-N 1 0 332.448 0.998 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)[NH+](C)C)cc1 ZINC000891245378 586088961 /nfs/dbraw/zinc/08/89/61/586088961.db2.gz DAUSSNKOHPWSSA-LNLFQRSKSA-N 1 0 348.491 0.927 20 10 ECCDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895126039 586165331 /nfs/dbraw/zinc/16/53/31/586165331.db2.gz UPVAKIPPWAQSIJ-VXGBXAGGSA-N 1 0 325.361 0.765 20 10 ECCDRO CC(=O)NCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891503731 586171949 /nfs/dbraw/zinc/17/19/49/586171949.db2.gz UULSGFPNEUKFHA-INIZCTEOSA-N 1 0 335.452 0.791 20 10 ECCDRO COC(=O)[C@@]1(C[NH2+]Cc2ccc(N(C)C)cc2)C[C@@H]1S(C)(=O)=O ZINC000895508792 586186308 /nfs/dbraw/zinc/18/63/08/586186308.db2.gz LIIJLFJNZWKRIA-GOEBONIOSA-N 1 0 340.445 0.819 20 10 ECCDRO COc1ccc(C[N@H+](CCO)CCN2CCOCC2)c(O)c1OC ZINC000891744192 586192888 /nfs/dbraw/zinc/19/28/88/586192888.db2.gz ODGDZSMEWNWJLP-UHFFFAOYSA-N 1 0 340.420 0.536 20 10 ECCDRO COc1cc(C)cc(C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)c1O ZINC000897275575 586292347 /nfs/dbraw/zinc/29/23/47/586292347.db2.gz ORVXHBOKKRUSRA-LBPRGKRZSA-N 1 0 327.406 0.043 20 10 ECCDRO CN(C)c1ccc([C@@H](CNc2cc(=O)n(C)c(=O)n2C)[NH+](C)C)cc1 ZINC000897521469 586337973 /nfs/dbraw/zinc/33/79/73/586337973.db2.gz GTGMHRULBZTGKN-OAHLLOKOSA-N 1 0 345.447 0.865 20 10 ECCDRO C[NH+]1CCN(c2ccc(CN3CCn4nnc(CO)c4C3)cc2)CC1 ZINC000894804342 586412606 /nfs/dbraw/zinc/41/26/06/586412606.db2.gz BOZHWACEWKHTHX-UHFFFAOYSA-N 1 0 342.447 0.538 20 10 ECCDRO C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC(=O)N1 ZINC000899098784 586470592 /nfs/dbraw/zinc/47/05/92/586470592.db2.gz RVQZFSHQXWFQLT-CJNGLKHVSA-N 1 0 347.463 0.885 20 10 ECCDRO C[C@@H](O)[C@@H]1NC(=O)N(C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000900185525 586529782 /nfs/dbraw/zinc/52/97/82/586529782.db2.gz OFTZEWOJVODPNN-UGFHNGPFSA-N 1 0 334.420 0.657 20 10 ECCDRO COC[C@@H]1NC(=O)N(C[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000900185365 586529894 /nfs/dbraw/zinc/52/98/94/586529894.db2.gz KTWNQRYAHQHWQD-LSDHHAIUSA-N 1 0 334.420 0.922 20 10 ECCDRO COC[C@H]1C[NH2+]CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000903878318 586822107 /nfs/dbraw/zinc/82/21/07/586822107.db2.gz XUVIKYPCEJPFQF-QGZVFWFLSA-N 1 0 334.464 0.631 20 10 ECCDRO CN(C)c1ccc(/C=C\C[NH2+]CCNS(=O)(=O)N(C)C)cc1 ZINC000839092046 586837926 /nfs/dbraw/zinc/83/79/26/586837926.db2.gz WCDULOCTLLKNIW-WAYWQWQTSA-N 1 0 326.466 0.751 20 10 ECCDRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c(O)c1O ZINC000843884714 589082917 /nfs/dbraw/zinc/08/29/17/589082917.db2.gz FPQBQRVHTLSZBW-CQSZACIVSA-N 1 0 347.415 0.831 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000817917706 587391716 /nfs/dbraw/zinc/39/17/16/587391716.db2.gz CVVYZKAADBBPJX-OAHLLOKOSA-N 1 0 332.448 0.908 20 10 ECCDRO CN(C)c1ccc(CN(C(=O)C(=O)N2CC[NH2+]CC2)C2CC2)cc1 ZINC000817926488 587392139 /nfs/dbraw/zinc/39/21/39/587392139.db2.gz KAWBSPZNCZFFFG-UHFFFAOYSA-N 1 0 330.432 0.675 20 10 ECCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000817949090 587393252 /nfs/dbraw/zinc/39/32/52/587393252.db2.gz HKXMNNCANJEBPW-CJNGLKHVSA-N 1 0 349.431 0.705 20 10 ECCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)C1 ZINC000844175397 589098896 /nfs/dbraw/zinc/09/88/96/589098896.db2.gz HJKMLJFVNJOXSK-SRABZTEZSA-N 1 0 342.443 0.755 20 10 ECCDRO COC[C@H](O)C[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000818943751 587461696 /nfs/dbraw/zinc/46/16/96/587461696.db2.gz ZNKIZSCIZHYLAT-QGZVFWFLSA-N 1 0 337.464 0.804 20 10 ECCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+]C[C@H]3CCOC3)CC2)cc1 ZINC000818976054 587462874 /nfs/dbraw/zinc/46/28/74/587462874.db2.gz RVNDSVZTWXKKRW-AEFFLSMTSA-N 1 0 349.475 0.804 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000844190315 589101677 /nfs/dbraw/zinc/10/16/77/589101677.db2.gz GXBIIDZBBSYIHD-GASCZTMLSA-N 1 0 332.448 0.671 20 10 ECCDRO C[C@H](C[NH3+])C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000827389886 588118031 /nfs/dbraw/zinc/11/80/31/588118031.db2.gz OZSFDSQRSPULDD-GFCCVEGCSA-N 1 0 325.434 0.132 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCCO[C@H](C[NH3+])C2)cc1 ZINC000844227186 589104466 /nfs/dbraw/zinc/10/44/66/589104466.db2.gz VTJSJRBETFKTLO-QGZVFWFLSA-N 1 0 334.464 0.761 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000846327608 589196426 /nfs/dbraw/zinc/19/64/26/589196426.db2.gz CKRAJFJKTBZQNV-UHFFFAOYSA-N 1 0 332.448 0.922 20 10 ECCDRO C[NH+](C)CC[C@@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000846672036 589217927 /nfs/dbraw/zinc/21/79/27/589217927.db2.gz BBOVSJMYLRYCTM-OAHLLOKOSA-N 1 0 338.427 0.558 20 10 ECCDRO COc1ccc(N2CCCN(C(=O)C3=NO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000852861893 589519167 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337.829 0.540 20 10 ECCDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000271300973 254534651 /nfs/dbraw/zinc/53/46/51/254534651.db2.gz QUQHXWWAODFUDH-LBPRGKRZSA-N 1 0 341.433 0.930 20 10 ECCDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283562592 437031202 /nfs/dbraw/zinc/03/12/02/437031202.db2.gz RHYKPFLGZMKGQR-SUMWQHHRSA-N 1 0 344.459 0.968 20 10 ECCDRO COc1ccc(NNC=C2C(=O)NC(=S)N(CC(C)C)C2=O)[nH+]c1 ZINC000275548465 436982611 /nfs/dbraw/zinc/98/26/11/436982611.db2.gz UMTBARGVZOEAAB-XFFZJAGNSA-N 1 0 349.416 0.790 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000276948879 437179780 /nfs/dbraw/zinc/17/97/80/437179780.db2.gz DLVZCIOSSBIPMA-GJZGRUSLSA-N 1 0 334.464 0.917 20 10 ECCDRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(N2CCOCC2)cc1 ZINC000181256158 437314435 /nfs/dbraw/zinc/31/44/35/437314435.db2.gz GCTPLRQOVYBBPY-CYBMUJFWSA-N 1 0 332.404 0.726 20 10 ECCDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000193568470 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CC(C)[NH2+]CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000851641129 589409627 /nfs/dbraw/zinc/40/96/27/589409627.db2.gz GFLDJSUVKQWRJK-UHFFFAOYSA-N 1 0 339.461 0.536 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1F ZINC000851684759 589413518 /nfs/dbraw/zinc/41/35/18/589413518.db2.gz KTRIYSNOEQOTQW-UHFFFAOYSA-N 1 0 334.395 0.458 20 10 ECCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851690225 589415301 /nfs/dbraw/zinc/41/53/01/589415301.db2.gz CBSCCEZHKHVZCP-UHFFFAOYSA-N 1 0 331.416 0.999 20 10 ECCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccn3nnnc3c2)cc1 ZINC000852791252 589512208 /nfs/dbraw/zinc/51/22/08/589512208.db2.gz FHBRUBVGUKJBPV-CQSZACIVSA-N 1 0 325.376 0.620 20 10 ECCDRO COc1ccc(CNC(=O)c2cnnn2C2CC[NH2+]CC2)c(O)c1 ZINC000852824922 589515290 /nfs/dbraw/zinc/51/52/90/589515290.db2.gz CQFAXLVYTQMFIZ-UHFFFAOYSA-N 1 0 331.376 0.847 20 10 ECCDRO CN(C)c1cc(F)c(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1F ZINC000858171239 589728679 /nfs/dbraw/zinc/72/86/79/589728679.db2.gz 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COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@@H](OC)C3)CC2)cc1 ZINC000754052190 579411848 /nfs/dbraw/zinc/41/18/48/579411848.db2.gz XMXUWSMLDLIXEN-IEBWSBKVSA-N 1 0 349.475 0.899 20 10 ECCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)[C@H](C)CO)CC2)cc1 ZINC000754069986 579412280 /nfs/dbraw/zinc/41/22/80/579412280.db2.gz JDNCHUUCSADBJS-WBVHZDCISA-N 1 0 337.464 0.491 20 10 ECCDRO COC[C@H](C)[NH2+]C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000758183956 579468307 /nfs/dbraw/zinc/46/83/07/579468307.db2.gz CAMWDVAHLJXYMT-DOTOQJQBSA-N 1 0 337.464 0.803 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@]1(C)CO)cc2=O ZINC000759903171 579500314 /nfs/dbraw/zinc/50/03/14/579500314.db2.gz TUVZLLBZPUYVAS-MRXNPFEDSA-N 1 0 334.376 0.958 20 10 ECCDRO COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783705076 578744714 /nfs/dbraw/zinc/74/47/14/578744714.db2.gz UXQQQVMSHDXQPW-ROUUACIJSA-N 1 0 347.459 0.937 20 10 ECCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H](O)C3)CC2)cc1 ZINC000768772603 579131306 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0.586 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000842069879 589010668 /nfs/dbraw/zinc/01/06/68/589010668.db2.gz FYKIHRYVCMOBON-GJZGRUSLSA-N 1 0 346.475 0.929 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000842071281 589010978 /nfs/dbraw/zinc/01/09/78/589010978.db2.gz YAZDQJSXCWYEIO-GUYCJALGSA-N 1 0 346.475 0.962 20 10 ECCDRO C[C@H]1CN(C(=O)C(=O)NCCCSc2nccs2)C[C@H](C)[NH2+]1 ZINC000842092765 589011385 /nfs/dbraw/zinc/01/13/85/589011385.db2.gz MOJGNLMWCGSDPE-QWRGUYRKSA-N 1 0 342.490 0.950 20 10 ECCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000842147268 589014038 /nfs/dbraw/zinc/01/40/38/589014038.db2.gz CZFCMNUVDMTGLP-RYUDHWBXSA-N 1 0 336.411 0.717 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)ccc21 ZINC000842149988 589014655 /nfs/dbraw/zinc/01/46/55/589014655.db2.gz JZMIRVFRKPYIIR-WBVHZDCISA-N 1 0 342.443 0.506 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C 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332.448 0.955 20 10 ECCDRO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895702784 586199246 /nfs/dbraw/zinc/19/92/46/586199246.db2.gz VLWYNSDOQGHNTB-SFHVURJKSA-N 1 0 334.416 0.758 20 10 ECCDRO COC[C@@H](CO)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899103407 586470108 /nfs/dbraw/zinc/47/01/08/586470108.db2.gz LOETWRHBPSEXQQ-GDBMZVCRSA-N 1 0 338.452 0.662 20 10 ECCDRO Cc1cc(NC(=O)C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000843297816 589060057 /nfs/dbraw/zinc/06/00/57/589060057.db2.gz KJQIHZMDVJEHNC-ZDUSSCGKSA-N 1 0 331.376 0.804 20 10 ECCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2nc3ncccn3n2)cc1 ZINC000843299045 589060161 /nfs/dbraw/zinc/06/01/61/589060161.db2.gz QPTAYUFLTUAWFA-AWEZNQCLSA-N 1 0 339.403 0.549 20 10 ECCDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000843435932 589066755 /nfs/dbraw/zinc/06/67/55/589066755.db2.gz ZRUCHWDAXWSMKI-RYUDHWBXSA-N 1 0 325.361 0.765 20 10 ECCDRO CN(C)c1ccc(CNC(=O)CN(C)C2(C[NH3+])CCOCC2)cc1 ZINC000903808425 586817020 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CC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818677268 587445394 /nfs/dbraw/zinc/44/53/94/587445394.db2.gz SABAMYKJDKQDMR-AWEZNQCLSA-N 1 0 348.447 0.363 20 10 ECCDRO CCOC[C@H](O)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000818968794 587462711 /nfs/dbraw/zinc/46/27/11/587462711.db2.gz XLKLXMPUAPCBDY-NVXWUHKLSA-N 1 0 335.448 0.875 20 10 ECCDRO CC1(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C[NH2+]C1 ZINC000827469307 588122238 /nfs/dbraw/zinc/12/22/38/588122238.db2.gz UPWJJFBXHXIVMZ-CQSZACIVSA-N 1 0 330.432 0.614 20 10 ECCDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000832172155 588471677 /nfs/dbraw/zinc/47/16/77/588471677.db2.gz DHJYAOZKDPFASK-AWEZNQCLSA-N 1 0 332.448 0.827 20 10 ECCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000832173681 588471866 /nfs/dbraw/zinc/47/18/66/588471866.db2.gz UUWYUOUAMSWCJG-SFHVURJKSA-N 1 0 348.422 0.673 20 10 ECCDRO COCCN1C[C@@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1=O ZINC000832278233 588477670 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COc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)cc1F ZINC000852871700 589520285 /nfs/dbraw/zinc/52/02/85/589520285.db2.gz AXXNLUBZSBBPSY-CZUORRHYSA-N 1 0 337.395 0.847 20 10 ECCDRO COc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc1F ZINC000852871699 589520297 /nfs/dbraw/zinc/52/02/97/589520297.db2.gz AXXNLUBZSBBPSY-CJNGLKHVSA-N 1 0 337.395 0.847 20 10 ECCDRO COc1ccc(N2CC[C@H](CNC(=O)C3=NO[C@@H](C[NH3+])C3)C2)cc1 ZINC000852894871 589523137 /nfs/dbraw/zinc/52/31/37/589523137.db2.gz ZIHFPLYZSPXTMK-IUODEOHRSA-N 1 0 332.404 0.741 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1)cc2=O ZINC000859960797 589731663 /nfs/dbraw/zinc/73/16/63/589731663.db2.gz VRDQPXQJHJPCPN-JGZJWPJOSA-N 1 0 347.375 0.307 20 10 ECCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000861755715 589887820 /nfs/dbraw/zinc/88/78/20/589887820.db2.gz SOXOMKHWURJJSQ-DLBZAZTESA-N 1 0 342.443 0.936 20 10 ECCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000861798378 589893775 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O=C1COC[C@@]2(C[NH2+]Cc3c(O)cccc3Cl)COCCN12 ZINC000865798255 590158458 /nfs/dbraw/zinc/15/84/58/590158458.db2.gz RENCYNFMLUVRER-OAHLLOKOSA-N 1 0 326.780 0.763 20 10 ECCDRO COC[C@@]1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C[NH2+]CCO1 ZINC000876959270 590429667 /nfs/dbraw/zinc/42/96/67/590429667.db2.gz IAVFEJBDAMXEOY-KBXCAEBGSA-N 1 0 349.431 0.395 20 10 ECCDRO COc1ccc(N2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)c(OC)c1 ZINC000877228282 590446120 /nfs/dbraw/zinc/44/61/20/590446120.db2.gz XRQPYAFVRIMTTN-AWEZNQCLSA-N 1 0 349.431 0.731 20 10 ECCDRO COc1ccc(N2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)c(OC)c1 ZINC000877228284 590446195 /nfs/dbraw/zinc/44/61/95/590446195.db2.gz XRQPYAFVRIMTTN-CQSZACIVSA-N 1 0 349.431 0.731 20 10 ECCDRO COc1ccc(N2CCN(C(=O)C[C@H](C[NH3+])OC)CC2)c(OC)c1 ZINC000877227090 590446325 /nfs/dbraw/zinc/44/63/25/590446325.db2.gz CAUBAIANOXYLHB-CQSZACIVSA-N 1 0 337.420 0.716 20 10 ECCDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000877598270 590473307 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CNC(=O)C1([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)CCOCC1 ZINC000887088233 590941872 /nfs/dbraw/zinc/94/18/72/590941872.db2.gz ZQJUMFANAQWUBN-UHFFFAOYSA-N 1 0 348.447 0.254 20 10 ECCDRO CNC(=O)[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889663280 591069519 /nfs/dbraw/zinc/06/95/19/591069519.db2.gz NZWVTXOXKVJYET-ZDUSSCGKSA-N 1 0 333.436 0.372 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)N3C[C@H]4C[C@@]4(CO)C3)cc2)CC1 ZINC000889665420 591069701 /nfs/dbraw/zinc/06/97/01/591069701.db2.gz NVPYLNHOIZYLSG-APWZRJJASA-N 1 0 344.459 0.962 20 10 ECCDRO COC[C@@H](O)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889662469 591069770 /nfs/dbraw/zinc/06/97/70/591069770.db2.gz DXWJNPPZDKXCCT-INIZCTEOSA-N 1 0 336.436 0.245 20 10 ECCDRO COC[C@H](O)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889662470 591069984 /nfs/dbraw/zinc/06/99/84/591069984.db2.gz DXWJNPPZDKXCCT-MRXNPFEDSA-N 1 0 336.436 0.245 20 10 ECCDRO C[NH+]1CCN(c2ccc(CN3C(=O)[C@@H]4COCCN4C3=O)cc2)CC1 ZINC000925082202 608740036 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CN(CCOCC[NH3+])C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000861765806 589889530 /nfs/dbraw/zinc/88/95/30/589889530.db2.gz HEWHFUGHHQJWDY-UHFFFAOYSA-N 1 0 348.447 0.337 20 10 ECCDRO COc1cc(O)c(C[NH2+]C[C@]23COC(=O)N2CCOC3)cc1OC ZINC000872263173 590110019 /nfs/dbraw/zinc/11/00/19/590110019.db2.gz WZSJARVKXJFQJF-INIZCTEOSA-N 1 0 338.360 0.720 20 10 ECCDRO Cn1cnc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000879657206 590332122 /nfs/dbraw/zinc/33/21/22/590332122.db2.gz BQXSRTVTEJXKEC-UHFFFAOYSA-N 1 0 329.408 0.889 20 10 ECCDRO COC[C@@]1(C(=O)NCc2ccc(N(C)C)c(F)c2)C[NH2+]CCO1 ZINC000876739890 590407096 /nfs/dbraw/zinc/40/70/96/590407096.db2.gz JUODOFPYFGEVJB-MRXNPFEDSA-N 1 0 325.384 0.513 20 10 ECCDRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877008388 590433414 /nfs/dbraw/zinc/43/34/14/590433414.db2.gz QFNIUGLLNJWHBU-UHFFFAOYSA-N 1 0 341.477 0.677 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)Cn2cc(CCC[NH3+])nn2)cc1 ZINC000881083916 590434859 /nfs/dbraw/zinc/43/48/59/590434859.db2.gz NAGVQHXEWRFBRX-UHFFFAOYSA-N 1 0 330.436 0.894 20 10 ECCDRO CN(C)c1ccc(CNC(=O)Cn2cc(CCCC[NH3+])nn2)cc1 ZINC000881094518 590436238 /nfs/dbraw/zinc/43/62/38/590436238.db2.gz LGFWXSJBKOAUCU-UHFFFAOYSA-N 1 0 330.436 0.942 20 10 ECCDRO COC(=O)N[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852357 590481187 /nfs/dbraw/zinc/48/11/87/590481187.db2.gz NKQFAIVZDQFXMR-ZDUSSCGKSA-N 1 0 334.420 0.799 20 10 ECCDRO CN(C)c1ccc(CNC(=O)CN2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000878868170 590548079 /nfs/dbraw/zinc/54/80/79/590548079.db2.gz NTUJASVWCAKVLS-LJQANCHMSA-N 1 0 348.491 0.757 20 10 ECCDRO COCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000884194925 590769222 /nfs/dbraw/zinc/76/92/22/590769222.db2.gz WJFNRBOHAMZYNG-KRWDZBQOSA-N 1 0 335.448 0.875 20 10 ECCDRO CCN(C(=O)C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CC[NH2+]C1 ZINC000884521158 590849663 /nfs/dbraw/zinc/84/96/63/590849663.db2.gz PFGHKKZUHVYRGM-MRXNPFEDSA-N 1 0 344.459 0.896 20 10 ECCDRO C[C@H]1C(=O)NCCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889669483 591070368 /nfs/dbraw/zinc/07/03/68/591070368.db2.gz KZMQZCHKPUCYRQ-AWEZNQCLSA-N 1 0 345.447 0.468 20 10 ECCDRO NC(=O)[C@@H]1CCCN(c2ccc(CN[C@H]3C[NH2+]CCOC3)cc2)C1 ZINC000925487950 611485772 /nfs/dbraw/zinc/48/57/72/611485772.db2.gz ZPCOZAXQDCNLBQ-CVEARBPZSA-N 1 0 332.448 0.466 20 10 ECCDRO COc1ccc(N2CCN(C(=O)C[NH2+][C@H]3COC[C@H]3C)CC2)cc1 ZINC000932502016 611635120 /nfs/dbraw/zinc/63/51/20/611635120.db2.gz RAMUUMUWAFABGN-PBHICJAKSA-N 1 0 333.432 0.968 20 10 ECCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@@H]3CO)CC2)cc1 ZINC000934015829 608787949 /nfs/dbraw/zinc/78/79/49/608787949.db2.gz GVQMONLZAHJOJN-SJORKVTESA-N 1 0 335.448 0.245 20 10 ECCDRO CN(C)c1ccc([C@@H](CNS(=O)(=O)N2CCC2)[NH+](C)C)cc1 ZINC000908460629 609654175 /nfs/dbraw/zinc/65/41/75/609654175.db2.gz WQCHAOCRSXRVIU-OAHLLOKOSA-N 1 0 326.466 0.895 20 10 ECCDRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000911055836 609795927 /nfs/dbraw/zinc/79/59/27/609795927.db2.gz PWXSVWGWFOYAGK-SNVBAGLBSA-N 1 0 342.490 0.856 20 10 ECCDRO COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NCC3([NH3+])CC3)C2)cc1 ZINC000911314626 609852197 /nfs/dbraw/zinc/85/21/97/609852197.db2.gz KNTCBHNOMRSGKJ-ZDUSSCGKSA-N 1 0 346.431 0.245 20 10 ECCDRO COc1ccc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)C2)cc1 ZINC000911563812 609897583 /nfs/dbraw/zinc/89/75/83/609897583.db2.gz SEVHLSRGZOFXCH-MGPQQGTHSA-N 1 0 346.431 0.244 20 10 ECCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)COCc2nccn2C)cc1 ZINC000911666672 609904961 /nfs/dbraw/zinc/90/49/61/609904961.db2.gz JIJJUBJPBJSHCT-HNNXBMFYSA-N 1 0 331.420 0.819 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCOC(=O)N3)cc2)CC1 ZINC000918847368 610021083 /nfs/dbraw/zinc/02/10/83/610021083.db2.gz ZZPRLJQOTVIPCV-HNNXBMFYSA-N 1 0 332.404 0.553 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC000923478836 611249461 /nfs/dbraw/zinc/24/94/61/611249461.db2.gz SMXCZENPISZSCF-SFHVURJKSA-N 1 0 334.464 0.497 20 10 ECCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)cc1C ZINC000969765736 732330832 /nfs/dbraw/zinc/33/08/32/732330832.db2.gz DPYJOQLCLJRGOP-ZIAGYGMSSA-N 1 0 332.404 0.376 20 10 ECCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000319316488 741585449 /nfs/dbraw/zinc/58/54/49/741585449.db2.gz YRMCHPMRJLDHHC-HNNXBMFYSA-N 1 0 341.477 0.863 20 10 ECCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CNC(=O)N3)C2)cc1C ZINC000984722750 746876968 /nfs/dbraw/zinc/87/69/68/746876968.db2.gz LUTPDAJOELYAPU-RBSFLKMASA-N 1 0 346.431 0.669 20 10 ECCDRO COc1ccc(C[NH2+]C2CCN(C(=O)Cn3ncnn3)CC2)cc1C ZINC000996548508 757989312 /nfs/dbraw/zinc/98/93/12/757989312.db2.gz VSWBUNNCHKKWRL-UHFFFAOYSA-N 1 0 344.419 0.771 20 10 ECCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3ncnn3)C[C@H]2C)cc1C ZINC001054651048 768128718 /nfs/dbraw/zinc/12/87/18/768128718.db2.gz VCUXTBRIQOMATH-UKRRQHHQSA-N 1 0 344.419 0.627 20 10 ECCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)cc1 ZINC001019854327 771900161 /nfs/dbraw/zinc/90/01/61/771900161.db2.gz XQJADHMLRAOQPU-QWHCGFSZSA-N 1 0 344.375 0.542 20 10 ECCDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nncn3C)C2)cc(OC)n1 ZINC001020352208 772482876 /nfs/dbraw/zinc/48/28/76/772482876.db2.gz CWGRKLOQYKEBHY-HAQNSBGRSA-N 1 0 346.391 0.278 20 10 ECCDRO CNC(=O)C[NH2+][C@@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267155679 836862753 /nfs/dbraw/zinc/86/27/53/836862753.db2.gz JNRBQJHIUUUMSL-JTQLQIEISA-N 1 0 334.380 0.693 20 10 ECCDRO CNS(=O)(=O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271198287 254534721 /nfs/dbraw/zinc/53/47/21/254534721.db2.gz RZUJBELHCAPULF-UHFFFAOYSA-N 1 0 328.390 0.635 20 10 ECCDRO CNS(=O)(=O)NC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000291476404 437595597 /nfs/dbraw/zinc/59/55/97/437595597.db2.gz FKUZQIZSARDDJK-UHFFFAOYSA-N 1 0 343.405 0.139 20 10 ECCDRO CC[NH+]1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000048418465 436452463 /nfs/dbraw/zinc/45/24/63/436452463.db2.gz SUINQZNGZSGKRY-UHFFFAOYSA-N 1 0 346.475 0.981 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](O)C(C)(C)C1)cc2=O ZINC000279785549 436840560 /nfs/dbraw/zinc/84/05/60/436840560.db2.gz NWRMFQXUBJRTJN-GFCCVEGCSA-N 1 0 334.376 0.814 20 10 ECCDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000295090344 436962184 /nfs/dbraw/zinc/96/21/84/436962184.db2.gz ROWOADRVLKEXRP-NSHDSACASA-N 1 0 332.422 0.827 20 10 ECCDRO O=C1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1CCN1CCOCC1 ZINC000296986360 436999430 /nfs/dbraw/zinc/99/94/30/436999430.db2.gz SCLGMRGAGXSLOM-HZPDHXFCSA-N 1 0 345.443 0.902 20 10 ECCDRO CN(C)C(=O)CC[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000268364963 437405796 /nfs/dbraw/zinc/40/57/96/437405796.db2.gz QWXWJWOQLXICPV-UHFFFAOYSA-N 1 0 335.404 0.717 20 10 ECCDRO O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000269242259 437472219 /nfs/dbraw/zinc/47/22/19/437472219.db2.gz JVKGYUSJLZJPER-CQSZACIVSA-N 1 0 337.395 0.657 20 10 ECCDRO O=C(C[C@H]1C[NH2+]CCO1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000269242254 437472976 /nfs/dbraw/zinc/47/29/76/437472976.db2.gz JVKGYUSJLZJPER-AWEZNQCLSA-N 1 0 337.395 0.657 20 10 ECCDRO COc1c([O-])c(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366554461 438090899 /nfs/dbraw/zinc/09/08/99/438090899.db2.gz LPPAXHVSCBLOLA-VHSXEESVSA-N 1 0 335.316 0.404 20 10 ECCDRO CCOc1ccc(O)c(CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000530241003 439494291 /nfs/dbraw/zinc/49/42/91/439494291.db2.gz ASJOIIIFGPULAC-UHFFFAOYSA-N 1 0 348.447 0.934 20 10 ECCDRO COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H](OC)C3)CC2)cc1 ZINC000754052189 579411794 /nfs/dbraw/zinc/41/17/94/579411794.db2.gz XMXUWSMLDLIXEN-HKUYNNGSSA-N 1 0 349.475 0.899 20 10 ECCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000754027086 579411123 /nfs/dbraw/zinc/41/11/23/579411123.db2.gz BHHWNWJCFOLJJG-DLBZAZTESA-N 1 0 335.448 0.245 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(OCCO)CC2)cc1 ZINC000757131681 579459669 /nfs/dbraw/zinc/45/96/69/579459669.db2.gz PVKBQIZPUNLVEM-UHFFFAOYSA-N 1 0 335.448 0.842 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000729921680 578300064 /nfs/dbraw/zinc/30/00/64/578300064.db2.gz SBVPMKMLGLZFMY-INIZCTEOSA-N 1 0 346.475 0.885 20 10 ECCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000770680068 579173439 /nfs/dbraw/zinc/17/34/39/579173439.db2.gz WNEXAXSFQARBSQ-SMDDNHRTSA-N 1 0 342.417 0.332 20 10 ECCDRO COCCCNC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000774489208 579248846 /nfs/dbraw/zinc/24/88/46/579248846.db2.gz AQWOPGBFBLHNQW-UHFFFAOYSA-N 1 0 349.431 0.933 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000774854362 579257735 /nfs/dbraw/zinc/25/77/35/579257735.db2.gz LTHDZKAZFAJWBP-UHFFFAOYSA-N 1 0 332.448 0.888 20 10 ECCDRO COCCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)C(N)=O ZINC000775680517 579269751 /nfs/dbraw/zinc/26/97/51/579269751.db2.gz FWAMRHCSZFGACP-HNNXBMFYSA-N 1 0 334.464 0.761 20 10 ECCDRO C[NH+]1CCN(c2ccc(CN3CCN4C(=O)NC[C@H]4C3)cc2)CC1 ZINC000775736758 579270608 /nfs/dbraw/zinc/27/06/08/579270608.db2.gz JOILOJUUAPCXMS-KRWDZBQOSA-N 1 0 329.448 0.648 20 10 ECCDRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000841722435 588999131 /nfs/dbraw/zinc/99/91/31/588999131.db2.gz NWBKOXMCGHLBMY-CABCVRRESA-N 1 0 347.463 0.925 20 10 ECCDRO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000841723816 588999149 /nfs/dbraw/zinc/99/91/49/588999149.db2.gz ZUFLWYFSPPGZGP-ZFWWWQNUSA-N 1 0 347.463 0.925 20 10 ECCDRO CC(C)([NH3+])CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000841721878 588999187 /nfs/dbraw/zinc/99/91/87/588999187.db2.gz JOTOCWALCMPOBR-CQSZACIVSA-N 1 0 347.463 0.925 20 10 ECCDRO COc1ccc(N2CCC(NC(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000841779006 589000474 /nfs/dbraw/zinc/00/04/74/589000474.db2.gz KEYNLOHFTFVIQK-QGZVFWFLSA-N 1 0 348.447 0.952 20 10 ECCDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000842036670 589009256 /nfs/dbraw/zinc/00/92/56/589009256.db2.gz QMQYVDDPBIFATR-HIFRSBDPSA-N 1 0 332.448 0.955 20 10 ECCDRO C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000842070067 589010551 /nfs/dbraw/zinc/01/05/51/589010551.db2.gz LKBCXJAOPLHEBI-AWEZNQCLSA-N 1 0 334.464 0.834 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000842071232 589010596 /nfs/dbraw/zinc/01/05/96/589010596.db2.gz WYOBQMYADCASMS-UONOGXRCSA-N 1 0 334.464 0.914 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1F ZINC000842148316 589014342 /nfs/dbraw/zinc/01/43/42/589014342.db2.gz MCSMHXKZMCZPPZ-WCQYABFASA-N 1 0 336.411 0.752 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)ccc21 ZINC000842150660 589015024 /nfs/dbraw/zinc/01/50/24/589015024.db2.gz UKRVXMNBAJLHQC-HNNXBMFYSA-N 1 0 330.432 0.553 20 10 ECCDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842175901 589017164 /nfs/dbraw/zinc/01/71/64/589017164.db2.gz WXLDTVSZVJUDIR-AWEZNQCLSA-N 1 0 332.448 0.776 20 10 ECCDRO COc1ccc(N2CCC(NC(=O)C(=O)NCC(C)(C)[NH3+])CC2)cc1 ZINC000842185949 589018850 /nfs/dbraw/zinc/01/88/50/589018850.db2.gz CCOBBLZCVDTNTB-UHFFFAOYSA-N 1 0 348.447 0.634 20 10 ECCDRO 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[NH3+]C[C@@H](O)CCc1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000900604860 586646790 /nfs/dbraw/zinc/64/67/90/586646790.db2.gz QARRTCKMTOFADC-KRWDZBQOSA-N 1 0 331.420 0.415 20 10 ECCDRO Cc1cc(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000843297815 589059968 /nfs/dbraw/zinc/05/99/68/589059968.db2.gz KJQIHZMDVJEHNC-CYBMUJFWSA-N 1 0 331.376 0.804 20 10 ECCDRO COc1cc(Cl)cc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)c1O ZINC000903968930 586828948 /nfs/dbraw/zinc/82/89/48/586828948.db2.gz QRSMOVBBQWFNAW-GFCCVEGCSA-N 1 0 348.852 0.921 20 10 ECCDRO COCCNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000839193102 586840848 /nfs/dbraw/zinc/84/08/48/586840848.db2.gz OXEROKRBGGLEJJ-UHFFFAOYSA-N 1 0 339.348 0.694 20 10 ECCDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839480727 586858253 /nfs/dbraw/zinc/85/82/53/586858253.db2.gz LZLMOOLRJLFMSE-ZFWWWQNUSA-N 1 0 332.448 0.955 20 10 ECCDRO COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000843489217 589071549 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ECCDRO CC(C)CS(=O)(=O)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273849 588477623 /nfs/dbraw/zinc/47/76/23/588477623.db2.gz QYRFJIAVSQRTIW-OAHLLOKOSA-N 1 0 341.477 0.939 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+]C1(CC(=O)OC)CC1)cc2=O ZINC000844387962 589110136 /nfs/dbraw/zinc/11/01/36/589110136.db2.gz ZGMUHOAXASBAFD-UHFFFAOYSA-N 1 0 348.359 0.797 20 10 ECCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846673153 589218025 /nfs/dbraw/zinc/21/80/25/589218025.db2.gz PNAXDDKCUUUPFF-KSSFIOAISA-N 1 0 349.406 0.515 20 10 ECCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCS2(=O)=O)cc1 ZINC000848393405 589292886 /nfs/dbraw/zinc/29/28/86/589292886.db2.gz BMGAGHKMWPZMLA-ZIAGYGMSSA-N 1 0 325.434 0.446 20 10 ECCDRO CCc1cccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c1O ZINC000848880494 589314554 /nfs/dbraw/zinc/31/45/54/589314554.db2.gz OVXVPLORCICTQO-UHFFFAOYSA-N 1 0 347.459 0.931 20 10 ECCDRO COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852869081 589520223 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C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c1ccc(N2CCOCC2)cc1 ZINC000861742499 589884701 /nfs/dbraw/zinc/88/47/01/589884701.db2.gz IGZKYACUJRHJAG-UONOGXRCSA-N 1 0 348.447 0.506 20 10 ECCDRO CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000861741506 589884786 /nfs/dbraw/zinc/88/47/86/589884786.db2.gz PEEQYDNAFNBFKN-CQSZACIVSA-N 1 0 334.464 0.915 20 10 ECCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000861744150 589885374 /nfs/dbraw/zinc/88/53/74/589885374.db2.gz SDVFYNGULAQAHK-WDEREUQCSA-N 1 0 342.490 0.998 20 10 ECCDRO C[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000861765905 589889686 /nfs/dbraw/zinc/88/96/86/589889686.db2.gz AQEKTCCTPQQBSG-JSGCOSHPSA-N 1 0 334.420 0.034 20 10 ECCDRO COc1ccc(N2CC[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C2)cc1 ZINC000861782553 589891893 /nfs/dbraw/zinc/89/18/93/589891893.db2.gz DXFOCPUGDFAYEX-ZIAGYGMSSA-N 1 0 348.447 0.443 20 10 ECCDRO COc1ccc(N2CC[NH+](CCC(=O)NC(N)=O)CC2)c(OC)c1 ZINC000879463167 590313101 /nfs/dbraw/zinc/31/31/01/590313101.db2.gz BCEVADNWNNYAQP-UHFFFAOYSA-N 1 0 336.392 0.411 20 10 ECCDRO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000876732147 590405893 /nfs/dbraw/zinc/40/58/93/590405893.db2.gz XJXWEQSGAMNAIG-ZBFHGGJFSA-N 1 0 337.395 0.519 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(=O)[nH]cn3)cc2)CC1 ZINC000881854913 590481060 /nfs/dbraw/zinc/48/10/60/590481060.db2.gz LCHMEYFAPPTNFG-UHFFFAOYSA-N 1 0 327.388 0.864 20 10 ECCDRO Cn1nncc1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883698833 590652016 /nfs/dbraw/zinc/65/20/16/590652016.db2.gz SFWPBBFVXCPYRM-UHFFFAOYSA-N 1 0 343.435 0.566 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)N=c2nc[nH]n2C)[NH+](C)C)cc1 ZINC000930506721 611437040 /nfs/dbraw/zinc/43/70/40/611437040.db2.gz SUGORZFKVWKSDU-CQSZACIVSA-N 1 0 331.424 0.727 20 10 ECCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C[NH3+] ZINC000910993579 609789573 /nfs/dbraw/zinc/78/95/73/609789573.db2.gz SAHPYUUZZWWPQY-UKRRQHHQSA-N 1 0 332.448 0.812 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])cc1F ZINC000911110383 609806357 /nfs/dbraw/zinc/80/63/57/609806357.db2.gz BQJIFRDVWXZDAQ-UGSOOPFHSA-N 1 0 348.422 0.848 20 10 ECCDRO [NH3+]C1(CNC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000911249294 609832245 /nfs/dbraw/zinc/83/22/45/609832245.db2.gz HVYKIWUMZVWCRX-UHFFFAOYSA-N 1 0 348.472 0.464 20 10 ECCDRO C[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000911225741 609832664 /nfs/dbraw/zinc/83/26/64/609832664.db2.gz JPARUKSTFCQWRI-NFAWXSAZSA-N 1 0 332.448 0.902 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/Cn3cncn3)cc2)CC1 ZINC000918839196 610019465 /nfs/dbraw/zinc/01/94/65/610019465.db2.gz QTZRMPARTQCNDN-NSCUHMNNSA-N 1 0 340.431 0.903 20 10 ECCDRO Cn1cc([C@H](O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000918851750 610020946 /nfs/dbraw/zinc/02/09/46/610020946.db2.gz ARXSXNUPDCMRTD-KRWDZBQOSA-N 1 0 343.431 0.522 20 10 ECCDRO O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891384718 734533699 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346.475 0.948 20 10 ECCDRO C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccccc2O)cn1 ZINC000768723243 579130248 /nfs/dbraw/zinc/13/02/48/579130248.db2.gz WZELYZLHPDXYGX-UHFFFAOYSA-N 1 0 331.376 0.405 20 10 ECCDRO C[N@H+](CC(=O)NC(=O)NC1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000016387044 588919532 /nfs/dbraw/zinc/91/95/32/588919532.db2.gz FXTQNUVLDBIEBF-UHFFFAOYSA-N 1 0 346.431 0.943 20 10 ECCDRO C[NH2+]CCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000841749129 588999840 /nfs/dbraw/zinc/99/98/40/588999840.db2.gz AKBMQXRBIQDDOX-UHFFFAOYSA-N 1 0 335.452 0.336 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000842069878 589010602 /nfs/dbraw/zinc/01/06/02/589010602.db2.gz FYKIHRYVCMOBON-CABCVRRESA-N 1 0 346.475 0.929 20 10 ECCDRO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000842070085 589010743 /nfs/dbraw/zinc/01/07/43/589010743.db2.gz LUTFSOZNGOYPHR-CQSZACIVSA-N 1 0 334.464 0.786 20 10 ECCDRO O=C(NCCCSc1nccs1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000842094660 589011651 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COc1ccc(N2CCN(C[C@H](O)C[NH2+]C[C@@H](O)C3CC3)CC2)cc1 ZINC000843072310 589049097 /nfs/dbraw/zinc/04/90/97/589049097.db2.gz WCJYHYMFXIDUMG-IEBWSBKVSA-N 1 0 349.475 0.539 20 10 ECCDRO C[C@H](CC(N)=O)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899098859 586470429 /nfs/dbraw/zinc/47/04/29/586470429.db2.gz UBOLIROKCFZNAU-IUODEOHRSA-N 1 0 335.452 0.918 20 10 ECCDRO C[C@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[NH+](C)C ZINC000899472089 586485826 /nfs/dbraw/zinc/48/58/26/586485826.db2.gz HEFGRSNLVJMFJM-CYBMUJFWSA-N 1 0 332.448 0.955 20 10 ECCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000843297762 589059920 /nfs/dbraw/zinc/05/99/20/589059920.db2.gz JREKJBOBFFSBQD-ZDUSSCGKSA-N 1 0 347.419 0.199 20 10 ECCDRO Cc1nn(C)c(=O)c(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1C ZINC000843299486 589060222 /nfs/dbraw/zinc/06/02/22/589060222.db2.gz WKOSURLPNABVLX-OAHLLOKOSA-N 1 0 343.431 0.893 20 10 ECCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CN2C(=O)NC(=O)C2(C)C)cc1 ZINC000843298140 589060226 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COc1ccc(N2CCN(CCNC(=O)CCC3C[NH2+]C3)CC2)cc1 ZINC000876782471 590414421 /nfs/dbraw/zinc/41/44/21/590414421.db2.gz SIGIJQJDIFZZPH-UHFFFAOYSA-N 1 0 346.475 0.933 20 10 ECCDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000876909964 590425418 /nfs/dbraw/zinc/42/54/18/590425418.db2.gz NWGPJPYILMCZDI-AWEZNQCLSA-N 1 0 332.448 0.969 20 10 ECCDRO Cc1nn(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(=O)o1 ZINC000881849042 590480594 /nfs/dbraw/zinc/48/05/94/590480594.db2.gz MLGVRKPIDUSNNO-UHFFFAOYSA-N 1 0 345.403 0.213 20 10 ECCDRO CN1C[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000881849783 590480633 /nfs/dbraw/zinc/48/06/33/590480633.db2.gz JBLCMVKKTSFQDQ-OAHLLOKOSA-N 1 0 330.432 0.533 20 10 ECCDRO CC[C@H](NC(C)=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881854935 590481371 /nfs/dbraw/zinc/48/13/71/590481371.db2.gz LZOPZSWQGFNXKH-KRWDZBQOSA-N 1 0 332.448 0.969 20 10 ECCDRO Cc1n[nH]cc1S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882663855 590571626 /nfs/dbraw/zinc/57/16/26/590571626.db2.gz 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CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)cc1 ZINC000931663641 611563523 /nfs/dbraw/zinc/56/35/23/611563523.db2.gz UCKUTDNHHAWMQR-INIZCTEOSA-N 1 0 332.448 0.825 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])cc1F ZINC000911110372 609806253 /nfs/dbraw/zinc/80/62/53/609806253.db2.gz BQJIFRDVWXZDAQ-ACJLOTCBSA-N 1 0 348.422 0.848 20 10 ECCDRO COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000911225513 609832598 /nfs/dbraw/zinc/83/25/98/609832598.db2.gz GOJPLSZPNWNCDJ-CJNGLKHVSA-N 1 0 348.447 0.377 20 10 ECCDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000911374984 609864252 /nfs/dbraw/zinc/86/42/52/609864252.db2.gz OGYDRTAHPVWVFW-CXAGYDPISA-N 1 0 344.459 0.968 20 10 ECCDRO C[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCC(=O)N1 ZINC000918845317 610021196 /nfs/dbraw/zinc/02/11/96/610021196.db2.gz KQKCINONZUJXRS-YOEHRIQHSA-N 1 0 344.459 0.969 20 10 ECCDRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1)C(N)=O ZINC000970837112 734002355 /nfs/dbraw/zinc/00/23/55/734002355.db2.gz FOYFNPSRVHOCMW-CHWSQXEVSA-N 1 0 346.391 0.917 20 10 ECCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COC1(C)C[NH2+]C1 ZINC000325882118 734191968 /nfs/dbraw/zinc/19/19/68/734191968.db2.gz IETMXJHUFOWHLA-UHFFFAOYSA-N 1 0 333.432 0.860 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1C ZINC001020597398 751876237 /nfs/dbraw/zinc/87/62/37/751876237.db2.gz PFQDFLPHZREIRP-TUVASFSCSA-N 1 0 331.416 0.862 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C)cc1C ZINC000985954633 749298652 /nfs/dbraw/zinc/29/86/52/749298652.db2.gz IKHWCTMYRYCBSB-HIFRSBDPSA-N 1 0 344.419 0.769 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cnnn3)C2)cc1C ZINC001021816120 757946743 /nfs/dbraw/zinc/94/67/43/757946743.db2.gz GASPQOGWDYPKCZ-OKILXGFUSA-N 1 0 330.392 0.427 20 10 ECCDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)cc(OC)n1 ZINC001022368282 758632906 /nfs/dbraw/zinc/63/29/06/758632906.db2.gz SJLPDSJLPCUFKV-BETUJISGSA-N 1 0 348.403 0.182 20 10 ECCDRO NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)cc1 ZINC001078253699 782565150 /nfs/dbraw/zinc/56/51/50/782565150.db2.gz NOUDOHADPWYOSS-CHWSQXEVSA-N 1 0 337.355 0.984 20 10 ECCDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)cc(OC)n1 ZINC001020352557 772483582 /nfs/dbraw/zinc/48/35/82/772483582.db2.gz VJTHUFNWLDRGFH-AVGNSLFASA-N 1 0 348.403 0.228 20 10 ECCDRO NC(=O)N=Nc1ccc(C(=O)N2CC3(C2)CC[N@H+](CCO)C3)cc1 ZINC001073473632 789877416 /nfs/dbraw/zinc/87/74/16/789877416.db2.gz GYDQMWFNSWHXHX-UHFFFAOYSA-N 1 0 331.376 0.989 20 10 ECCDRO CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001267476620 837509496 /nfs/dbraw/zinc/50/94/96/837509496.db2.gz JCPHKHVXLMIEGC-ZDUSSCGKSA-N 1 0 346.391 0.789 20 10 ECCDRO Cc1ccc(O)c(C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000124332031 436748566 /nfs/dbraw/zinc/74/85/66/436748566.db2.gz XZOOOVBUZZXOGP-UHFFFAOYSA-N 1 0 333.432 0.677 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000283564654 437031736 /nfs/dbraw/zinc/03/17/36/437031736.db2.gz RLYJTKJPECTQMA-WBVHZDCISA-N 1 0 344.459 0.921 20 10 ECCDRO O=C1CNC(=O)N1CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264674566 437062261 /nfs/dbraw/zinc/06/22/61/437062261.db2.gz AIKKPBFVGZMJDE-AWEZNQCLSA-N 1 0 333.388 0.925 20 10 ECCDRO COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@](C)(O)C3)CC2)cc1 ZINC000177975347 437202620 /nfs/dbraw/zinc/20/26/20/437202620.db2.gz SSRROWCMSYFSHL-GOSISDBHSA-N 1 0 333.432 0.801 20 10 ECCDRO O=C(CN1CCN(Cc2cc(F)ccc2O)CC1)N1CCOCC1 ZINC000179888502 437275491 /nfs/dbraw/zinc/27/54/91/437275491.db2.gz XJYFZULEOFLLIG-UHFFFAOYSA-N 1 0 337.395 0.508 20 10 ECCDRO O=C(C[C@H]1C[NH2+]CCO1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000269257624 437475591 /nfs/dbraw/zinc/47/55/91/437475591.db2.gz TXSVSDFBSYOLNK-SFHVURJKSA-N 1 0 347.459 0.890 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH2+][C@H]1COC[C@@H]1OC)cc2=O ZINC000290026495 437458539 /nfs/dbraw/zinc/45/85/39/437458539.db2.gz BNIMZEGPQXNNDV-RYUDHWBXSA-N 1 0 336.348 0.115 20 10 ECCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000785985136 578777881 /nfs/dbraw/zinc/77/78/81/578777881.db2.gz LTPWKTZESJUZGM-INIZCTEOSA-N 1 0 338.477 0.301 20 10 ECCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000787325578 578805026 /nfs/dbraw/zinc/80/50/26/578805026.db2.gz OFHSWAMDWWPQSI-QGZVFWFLSA-N 1 0 344.459 0.923 20 10 ECCDRO COc1ccc(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(O)c1 ZINC000792990165 578919319 /nfs/dbraw/zinc/91/93/19/578919319.db2.gz PPGQVEZJTIAKFU-ZDUSSCGKSA-N 1 0 336.436 0.836 20 10 ECCDRO CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768444429 579125605 /nfs/dbraw/zinc/12/56/05/579125605.db2.gz BFESQXARZRMTPJ-RISCZKNCSA-N 1 0 342.417 0.332 20 10 ECCDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768463309 579126383 /nfs/dbraw/zinc/12/63/83/579126383.db2.gz GRIYQGIBUSRYHE-BXUZGUMPSA-N 1 0 342.417 0.332 20 10 ECCDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000773200258 579222702 /nfs/dbraw/zinc/22/27/02/579222702.db2.gz SMUCOVJSWOJLPI-NSHDSACASA-N 1 0 341.433 0.978 20 10 ECCDRO COC(=O)CNC(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000775258409 579264784 /nfs/dbraw/zinc/26/47/84/579264784.db2.gz ZPZREZJVRWLHDE-CQSZACIVSA-N 1 0 349.431 0.853 20 10 ECCDRO C[NH+](C)CC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000837238874 588946278 /nfs/dbraw/zinc/94/62/78/588946278.db2.gz BBVJFIACDNYYIL-UHFFFAOYSA-N 1 0 329.422 0.834 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCS(=O)(=O)N1CCOCC1 ZINC000840934036 588975810 /nfs/dbraw/zinc/97/58/10/588975810.db2.gz MNMPPSVKFQEJAS-UHFFFAOYSA-N 1 0 341.477 0.813 20 10 ECCDRO [NH3+]CCN(CCO)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000841707710 588998847 /nfs/dbraw/zinc/99/88/47/588998847.db2.gz YFNQLJAPADNVGG-UHFFFAOYSA-N 1 0 338.477 0.702 20 10 ECCDRO CC[NH2+]CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000841725544 588999496 /nfs/dbraw/zinc/99/94/96/588999496.db2.gz MKPZBLMZNHEJKK-OAHLLOKOSA-N 1 0 347.463 0.797 20 10 ECCDRO C[NH2+]CCN(C)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000841750142 588999700 /nfs/dbraw/zinc/99/97/00/588999700.db2.gz MDMSIUPBHQYGCX-UHFFFAOYSA-N 1 0 349.479 0.678 20 10 ECCDRO Nc1ccc(CCNC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000842045908 589009413 /nfs/dbraw/zinc/00/94/13/589009413.db2.gz LAHSNTMEWXMDBG-UHFFFAOYSA-N 1 0 332.448 0.920 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000842069867 589010618 /nfs/dbraw/zinc/01/06/18/589010618.db2.gz FVJQUBWIFXNRKF-KGLIPLIRSA-N 1 0 334.464 0.962 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000842069869 589010647 /nfs/dbraw/zinc/01/06/47/589010647.db2.gz FVJQUBWIFXNRKF-ZIAGYGMSSA-N 1 0 334.464 0.962 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000842069778 589010688 /nfs/dbraw/zinc/01/06/88/589010688.db2.gz BTPUDSVXWHYJCQ-TZMCWYRMSA-N 1 0 334.464 0.819 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000842069880 589010717 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O=C1NC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)CCN2C1=O ZINC000816520601 587315162 /nfs/dbraw/zinc/31/51/62/587315162.db2.gz SVGLSMQGXMBOHS-CQSZACIVSA-N 1 0 325.368 0.688 20 10 ECCDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000816767615 587325008 /nfs/dbraw/zinc/32/50/08/587325008.db2.gz CLWCAVWPKPYITN-ZWNOBZJWSA-N 1 0 341.433 0.928 20 10 ECCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000817917727 587391634 /nfs/dbraw/zinc/39/16/34/587391634.db2.gz DOPRULOJJQIZPB-IYBDPMFKSA-N 1 0 344.459 0.779 20 10 ECCDRO C[C@@H]([NH3+])CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000827394947 588118391 /nfs/dbraw/zinc/11/83/91/588118391.db2.gz HOTGGIJUVQGFKZ-GFCCVEGCSA-N 1 0 325.434 0.275 20 10 ECCDRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCCSc1nccs1 ZINC000829527864 588328533 /nfs/dbraw/zinc/32/85/33/588328533.db2.gz HMTZVRLBQGTFOP-LLVKDONJSA-N 1 0 342.490 1.000 20 10 ECCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000832292519 588477986 /nfs/dbraw/zinc/47/79/86/588477986.db2.gz IBQVXPCYFCIUCX-BBRMVZONSA-N 1 0 330.432 0.880 20 10 ECCDRO C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000846672223 589217907 /nfs/dbraw/zinc/21/79/07/589217907.db2.gz DMSJKKQWKVUANS-WMLDXEAASA-N 1 0 334.464 0.979 20 10 ECCDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000849327132 589325992 /nfs/dbraw/zinc/32/59/92/589325992.db2.gz OHPAAUQFABWVBP-OAHLLOKOSA-N 1 0 328.434 0.018 20 10 ECCDRO C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000851662508 589411111 /nfs/dbraw/zinc/41/11/11/589411111.db2.gz DNQAKUMAUFFLQY-GFCCVEGCSA-N 1 0 340.449 0.068 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851685133 589413616 /nfs/dbraw/zinc/41/36/16/589413616.db2.gz PTSMVXIGHJGDDC-UHFFFAOYSA-N 1 0 330.432 0.545 20 10 ECCDRO COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C2)cc1 ZINC000851689756 589415080 /nfs/dbraw/zinc/41/50/80/589415080.db2.gz SXIUBSPBYNTPON-LBPRGKRZSA-N 1 0 334.420 0.244 20 10 ECCDRO O=C(CCOC1C[NH2+]C1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852868751 589520329 /nfs/dbraw/zinc/52/03/29/589520329.db2.gz MCUBLEPTCSWMLG-UHFFFAOYSA-N 1 0 333.432 0.642 20 10 ECCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000852890114 589522588 /nfs/dbraw/zinc/52/25/88/589522588.db2.gz MXENHESSALGTHL-WKILWMFISA-N 1 0 330.432 0.709 20 10 ECCDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852917338 589525838 /nfs/dbraw/zinc/52/58/38/589525838.db2.gz YWXJXWTWUCFOMY-DLBZAZTESA-N 1 0 333.432 0.628 20 10 ECCDRO CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CC[N@H+](C)C1 ZINC000855360281 589627589 /nfs/dbraw/zinc/62/75/89/589627589.db2.gz JYKHNBIXSOIQHX-GFCCVEGCSA-N 1 0 341.433 0.930 20 10 ECCDRO CN(CC1C[NH+](C)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000855638358 589639405 /nfs/dbraw/zinc/63/94/05/589639405.db2.gz DHBJZWGEICLHEF-UHFFFAOYSA-N 1 0 327.406 0.397 20 10 ECCDRO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000857758982 589703905 /nfs/dbraw/zinc/70/39/05/589703905.db2.gz VTLNOMBBGAYHLE-CQSZACIVSA-N 1 0 349.431 0.633 20 10 ECCDRO COc1cccc([C@@H](C)[NH2+]C[C@@]23COCCN2C(=O)COC3)c1O ZINC000866554944 589750419 /nfs/dbraw/zinc/75/04/19/589750419.db2.gz PAZYCNDHZPRLAJ-PXAZEXFGSA-N 1 0 336.388 0.679 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872185424 590100042 /nfs/dbraw/zinc/10/00/42/590100042.db2.gz NMDIEGAUAONLFR-HNAYVOBHSA-N 1 0 344.459 0.779 20 10 ECCDRO COc1ccc(C[NH2+]CCc2nnnn2C)cc1Cn1cccn1 ZINC000873100553 590183051 /nfs/dbraw/zinc/18/30/51/590183051.db2.gz WAKNXRYDLZEKRP-UHFFFAOYSA-N 1 0 327.392 0.796 20 10 ECCDRO C[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000874111786 590221779 /nfs/dbraw/zinc/22/17/79/590221779.db2.gz WQJZMZSWZSXZKM-UKRRQHHQSA-N 1 0 332.448 0.955 20 10 ECCDRO C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000874111785 590221802 /nfs/dbraw/zinc/22/18/02/590221802.db2.gz WQJZMZSWZSXZKM-HIFRSBDPSA-N 1 0 332.448 0.955 20 10 ECCDRO O=C(NCCCSc1nccs1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000875375101 590297397 /nfs/dbraw/zinc/29/73/97/590297397.db2.gz WKXMXDOWFBPOBB-LLVKDONJSA-N 1 0 330.479 0.991 20 10 ECCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cn3c(n2)COCC3)cc1 ZINC000876507194 590383573 /nfs/dbraw/zinc/38/35/73/590383573.db2.gz XSBFPLMLFUNRES-AWEZNQCLSA-N 1 0 329.404 0.909 20 10 ECCDRO COc1ccc(N2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)c(OC)c1 ZINC000877227916 590446150 /nfs/dbraw/zinc/44/61/50/590446150.db2.gz QLIDKYYDSQEABY-MRXNPFEDSA-N 1 0 335.404 0.341 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3CCNC3=O)cc2)CC1 ZINC000881849978 590480679 /nfs/dbraw/zinc/48/06/79/590480679.db2.gz VVWKKPIDRMMRBY-OAHLLOKOSA-N 1 0 330.432 0.581 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C)CCC(=O)NC3)cc2)CC1 ZINC000881854051 590481070 /nfs/dbraw/zinc/48/10/70/590481070.db2.gz SXJWGERDZOJRDJ-IBGZPJMESA-N 1 0 344.459 0.971 20 10 ECCDRO COC(=O)NCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851896 590481467 /nfs/dbraw/zinc/48/14/67/590481467.db2.gz SHOYVVNZGFZKQV-UHFFFAOYSA-N 1 0 334.420 0.801 20 10 ECCDRO C[NH+]1CCN(c2ccc(CN3C(=O)N[C@]4(CCOC4)C3=O)cc2)CC1 ZINC000877880267 590484704 /nfs/dbraw/zinc/48/47/04/590484704.db2.gz IEOVPAWBWCVFAF-SFHVURJKSA-N 1 0 344.415 0.649 20 10 ECCDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)C[C@]2(O)CCOC2)cc1 ZINC000930850916 611473868 /nfs/dbraw/zinc/47/38/68/611473868.db2.gz ZQWKQYBHAUIFHB-FUHWJXTLSA-N 1 0 338.448 0.966 20 10 ECCDRO COc1ccc(N2CCN(CCN[C@H]3C[NH2+]CCOC3)CC2)cc1 ZINC000925502231 611485715 /nfs/dbraw/zinc/48/57/15/611485715.db2.gz GELGEUIGYWOITC-INIZCTEOSA-N 1 0 334.464 0.395 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCOC(=O)N2)[NH+](C)C)cc1 ZINC000891248481 608673660 /nfs/dbraw/zinc/67/36/60/608673660.db2.gz NFZXBQJXRCFDAU-CABCVRRESA-N 1 0 334.420 0.970 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)[NH+](C)C)cc1 ZINC000891248388 608673774 /nfs/dbraw/zinc/67/37/74/608673774.db2.gz MBDRUOOVMUQMHR-XHSDSOJGSA-N 1 0 332.448 0.983 20 10 ECCDRO COCCN1C(=O)C(=CNCCC[NH2+]C(C)(C)C)C(=O)NC1=S ZINC000920980144 609696513 /nfs/dbraw/zinc/69/65/13/609696513.db2.gz ZAKMSLNQSBLUTF-KHPPLWFESA-N 1 0 342.465 0.128 20 10 ECCDRO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000911157878 609816622 /nfs/dbraw/zinc/81/66/22/609816622.db2.gz JOOOCEZOPMMCST-MRXNPFEDSA-N 1 0 342.443 0.793 20 10 ECCDRO CC1(C)CC[N@H+](CCNC(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000911291126 609840017 /nfs/dbraw/zinc/84/00/17/609840017.db2.gz JXGRDCCTGVRRFF-UHFFFAOYSA-N 1 0 332.448 0.776 20 10 ECCDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000912709569 609991414 /nfs/dbraw/zinc/99/14/14/609991414.db2.gz PGKOQQMYUAHROV-IEBWSBKVSA-N 1 0 347.459 0.719 20 10 ECCDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000842035766 611312168 /nfs/dbraw/zinc/31/21/68/611312168.db2.gz IOLSANBTCFOJOF-ZDUSSCGKSA-N 1 0 332.448 0.955 20 10 ECCDRO COCC[N@H+](C)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000326718345 735445043 /nfs/dbraw/zinc/44/50/43/735445043.db2.gz CAZWTWGBHGGLNX-KRWDZBQOSA-N 1 0 337.464 0.756 20 10 ECCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)c3nnn(C)n3)C2)cc1C ZINC000969624525 732006895 /nfs/dbraw/zinc/00/68/95/732006895.db2.gz BIDXYEIDZKOLIP-CYBMUJFWSA-N 1 0 330.392 0.531 20 10 ECCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cn3ncnn3)C2)cc1C ZINC000983687752 745060930 /nfs/dbraw/zinc/06/09/30/745060930.db2.gz ACYMRJGLATYPET-SHTZXODSSA-N 1 0 344.419 0.675 20 10 ECCDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C)cc1C ZINC000986290948 749760117 /nfs/dbraw/zinc/76/01/17/749760117.db2.gz SISCPPRZZJCXRJ-UKRRQHHQSA-N 1 0 344.419 0.769 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)c3nnn(C)n3)C2)cc1C ZINC000989310435 753603957 /nfs/dbraw/zinc/60/39/57/753603957.db2.gz BLKADQGOCSBXRO-JSGCOSHPSA-N 1 0 344.419 0.920 20 10 ECCDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)cc(OC)n1 ZINC001022368367 758632225 /nfs/dbraw/zinc/63/22/25/758632225.db2.gz VJTHUFNWLDRGFH-XQQFMLRXSA-N 1 0 348.403 0.228 20 10 ECCDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccnn3C)C2)cc(OC)n1 ZINC001020352422 772482925 /nfs/dbraw/zinc/48/29/25/772482925.db2.gz NXGOAVWJJOSKDU-JOCQHMNTSA-N 1 0 345.403 0.883 20 10 ECCDRO COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)NC(N)=O)cc1C ZINC001267978393 838916883 /nfs/dbraw/zinc/91/68/83/838916883.db2.gz CVZSUWJJIPXJGA-YPMHNXCESA-N 1 0 336.436 0.902 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000007351549 436009806 /nfs/dbraw/zinc/00/98/06/436009806.db2.gz YVLUSHUCYZQXTF-UHFFFAOYSA-N 1 0 332.448 0.908 20 10 ECCDRO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)Cc1ccccc1O ZINC000109771866 436625784 /nfs/dbraw/zinc/62/57/84/436625784.db2.gz VZPZXTBCNQYCNK-JTQLQIEISA-N 1 0 346.387 0.075 20 10 ECCDRO C[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccccc1O ZINC000111235182 436630986 /nfs/dbraw/zinc/63/09/86/436630986.db2.gz LWGMALBDSFTDQZ-UHFFFAOYSA-N 1 0 331.416 0.905 20 10 ECCDRO CCOCc1cc(C[NH2+]CCNS(=O)(=O)N(C)C)ccc1OC ZINC000298211060 437032296 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C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)c1cc(F)ccc1O ZINC000756534295 579450952 /nfs/dbraw/zinc/45/09/52/579450952.db2.gz LUTUOUZDHHVMPX-GFCCVEGCSA-N 1 0 345.440 0.759 20 10 ECCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC(C)(OC)C3)CC2)cc1 ZINC000759046878 579485680 /nfs/dbraw/zinc/48/56/80/579485680.db2.gz CZTXHJISQMZXFP-QGZVFWFLSA-N 1 0 349.475 0.899 20 10 ECCDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000768462681 579126279 /nfs/dbraw/zinc/12/62/79/579126279.db2.gz BGZXWYGEWXZHRX-LBPRGKRZSA-N 1 0 344.433 0.923 20 10 ECCDRO C[C@H]1C[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@@H+]1C ZINC000743639203 579800233 /nfs/dbraw/zinc/80/02/33/579800233.db2.gz VVDMTJIEANANSL-QWRGUYRKSA-N 1 0 341.433 0.976 20 10 ECCDRO C[NH2+]CCCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000841721911 588999193 /nfs/dbraw/zinc/99/91/93/588999193.db2.gz KWSNFVYZGCECHJ-HNNXBMFYSA-N 1 0 347.463 0.797 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)N(C)CCC[NH3+])CC2)cc1 ZINC000841749895 588999629 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C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000851690130 589415299 /nfs/dbraw/zinc/41/52/99/589415299.db2.gz ZNYIEHMEMOPTIE-UONOGXRCSA-N 1 0 348.447 0.362 20 10 ECCDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000852790447 589512072 /nfs/dbraw/zinc/51/20/72/589512072.db2.gz QKHNJGMPCVJROS-HNNXBMFYSA-N 1 0 339.461 0.536 20 10 ECCDRO [NH3+]CCn1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nn1 ZINC000852805241 589513067 /nfs/dbraw/zinc/51/30/67/589513067.db2.gz SZWUPJGJYRIKJQ-CQSZACIVSA-N 1 0 345.403 0.764 20 10 ECCDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000853244057 589538900 /nfs/dbraw/zinc/53/89/00/589538900.db2.gz CSYLTKHQYQVSLH-UHFFFAOYSA-N 1 0 349.479 0.914 20 10 ECCDRO Oc1cccc(Br)c1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000858177505 589729332 /nfs/dbraw/zinc/72/93/32/589729332.db2.gz MYIHAQAQZVPCGN-SECBINFHSA-N 1 0 327.182 0.897 20 10 ECCDRO C[NH+](C)CCCS(=O)(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000866581868 589752449 /nfs/dbraw/zinc/75/24/49/589752449.db2.gz 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ECCDRO COc1ccc(N2CC[C@H](NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000852843918 589517041 /nfs/dbraw/zinc/51/70/41/589517041.db2.gz JVLRRIIBYKYYNZ-XJKSGUPXSA-N 1 0 346.431 0.258 20 10 ECCDRO CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000852857132 589518313 /nfs/dbraw/zinc/51/83/13/589518313.db2.gz JTNGFXDKTAQCEM-IAGOWNOFSA-N 1 0 333.432 0.845 20 10 ECCDRO CCOc1cccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)c1O ZINC000858312200 589741233 /nfs/dbraw/zinc/74/12/33/589741233.db2.gz VFWYHCNUZCCUIL-UHFFFAOYSA-N 1 0 329.422 0.371 20 10 ECCDRO CCN(CC[NH3+])C(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000861759840 589888758 /nfs/dbraw/zinc/88/87/58/589888758.db2.gz QMCIQLYRVAHSKO-UHFFFAOYSA-N 1 0 348.447 0.587 20 10 ECCDRO O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861768824 589889931 /nfs/dbraw/zinc/88/99/31/589889931.db2.gz AHGUSNABSRMDRY-CQSZACIVSA-N 1 0 348.472 0.334 20 10 ECCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861812797 589894972 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COc1cccc(CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1O ZINC000074134224 436108086 /nfs/dbraw/zinc/10/80/86/436108086.db2.gz WDQNHJYPHDHWKL-ZDUSSCGKSA-N 1 0 336.436 0.836 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@@H](CC)[C@H](O)C1)cc2=O ZINC000270872864 436675425 /nfs/dbraw/zinc/67/54/25/436675425.db2.gz JJXRNGXXUICVGG-ZWNOBZJWSA-N 1 0 334.376 0.814 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@@H](O)[C@@H](CC)C1)cc2=O ZINC000270872855 436675666 /nfs/dbraw/zinc/67/56/66/436675666.db2.gz JJXRNGXXUICVGG-GXFFZTMASA-N 1 0 334.376 0.814 20 10 ECCDRO O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccc(N2CCOCC2)cc1 ZINC000237933698 436750213 /nfs/dbraw/zinc/75/02/13/436750213.db2.gz LJHIPIMZGZJWNG-QGZVFWFLSA-N 1 0 333.432 0.908 20 10 ECCDRO C[N@@H+]1CCN(CCNC(=O)c2c(F)ccc(O)c2O)CC1(C)C ZINC000295586597 436973686 /nfs/dbraw/zinc/97/36/86/436973686.db2.gz ALOICDSNYRSVQJ-UHFFFAOYSA-N 1 0 325.384 0.993 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@](O)(C3CC3)C1)cc2=O ZINC000373279737 438143412 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O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000760549428 579512473 /nfs/dbraw/zinc/51/24/73/579512473.db2.gz KOLPHQKBBPSEGL-DOMZBBRYSA-N 1 0 333.388 0.854 20 10 ECCDRO CN(C)c1ccc(CNC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000841655695 588996919 /nfs/dbraw/zinc/99/69/19/588996919.db2.gz UBMRRAUERZRHIS-QGZVFWFLSA-N 1 0 331.464 0.942 20 10 ECCDRO O=C(CNC(=O)NCc1ccc(N2CCCC2)cc1)N1CC[NH2+]CC1 ZINC000841709696 588998650 /nfs/dbraw/zinc/99/86/50/588998650.db2.gz LKQBHFWUSOHOAF-UHFFFAOYSA-N 1 0 345.447 0.518 20 10 ECCDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000841723821 588999106 /nfs/dbraw/zinc/99/91/06/588999106.db2.gz ZXIPVRCJFYQAOC-KCQAQPDRSA-N 1 0 347.463 0.923 20 10 ECCDRO C[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000841726550 588999400 /nfs/dbraw/zinc/99/94/00/588999400.db2.gz RYEACYROVHKYGE-ZFWWWQNUSA-N 1 0 347.463 0.925 20 10 ECCDRO C[C@H]([NH3+])CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841915116 589005505 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/nfs/dbraw/zinc/52/02/15/589520215.db2.gz GHFHFYKRZSJUFJ-QGZVFWFLSA-N 1 0 333.432 0.642 20 10 ECCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNc3nc(N)[nH+]c(N)n3)cc2)C1 ZINC000858357739 589743960 /nfs/dbraw/zinc/74/39/60/589743960.db2.gz VLVMGVRZNVTVNY-LLVKDONJSA-N 1 0 342.407 0.350 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H]3CC[C@@H](O)[C@@H]31)cc2=O ZINC000860130264 589747301 /nfs/dbraw/zinc/74/73/01/589747301.db2.gz UIAWDIOCTRQOCT-PSOPSSQASA-N 1 0 346.387 0.957 20 10 ECCDRO COc1ccc(N2CCN(C(=O)CN3C[C@@H]([NH3+])C[C@H]3C)CC2)cc1 ZINC000866682918 589758156 /nfs/dbraw/zinc/75/81/56/589758156.db2.gz OIXSPCQWBMAYHB-CABCVRRESA-N 1 0 332.448 0.765 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861741715 589884776 /nfs/dbraw/zinc/88/47/76/589884776.db2.gz WWOXTFAHFVBJSZ-UONOGXRCSA-N 1 0 334.464 0.914 20 10 ECCDRO C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000861805353 589894238 /nfs/dbraw/zinc/89/42/38/589894238.db2.gz WFUQSCPWHGXRLL-HIFRSBDPSA-N 1 0 332.448 0.968 20 10 ECCDRO Cn1nncc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000879477076 590313556 /nfs/dbraw/zinc/31/35/56/590313556.db2.gz YVAOAPAMOYCPIB-UHFFFAOYSA-N 1 0 329.408 0.889 20 10 ECCDRO C[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1ccccc1O ZINC000879648494 590331868 /nfs/dbraw/zinc/33/18/68/590331868.db2.gz RFIVLNUEWDMHAT-GFCCVEGCSA-N 1 0 343.449 0.441 20 10 ECCDRO COC[C@]1(C(=O)NCc2ccc3c(c2)CCCN3C)C[NH2+]CCO1 ZINC000876741386 590407320 /nfs/dbraw/zinc/40/73/20/590407320.db2.gz UEEAIVBSIJUHGL-SFHVURJKSA-N 1 0 333.432 0.690 20 10 ECCDRO COc1ccc(N2CC[C@H](CNC(=O)CN3CC[NH2+]CC3)C2)cc1 ZINC000876931874 590427716 /nfs/dbraw/zinc/42/77/16/590427716.db2.gz XPGAWJNPIQBIFL-OAHLLOKOSA-N 1 0 332.448 0.543 20 10 ECCDRO COC[C@]1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C[NH2+]CCO1 ZINC000876959272 590429758 /nfs/dbraw/zinc/42/97/58/590429758.db2.gz IAVFEJBDAMXEOY-KSSFIOAISA-N 1 0 349.431 0.395 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3[C@@H]4COC[C@@H]43)cc2)CC1 ZINC000883666162 590648929 /nfs/dbraw/zinc/64/89/29/590648929.db2.gz HHFJOCQZNNCCQQ-FVQHAEBGSA-N 1 0 330.432 0.882 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H](CO)CCF)cc2)CC1 ZINC000889660632 591069410 /nfs/dbraw/zinc/06/94/10/591069410.db2.gz DKJKBXIIMKISTL-HNNXBMFYSA-N 1 0 338.427 0.958 20 10 ECCDRO CC[N@H+](CCC(N)=O)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000932482920 611633543 /nfs/dbraw/zinc/63/35/43/611633543.db2.gz ZOMGFDBEIIIZNG-UHFFFAOYSA-N 1 0 348.447 0.541 20 10 ECCDRO Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)cc1 ZINC000927857940 611644472 /nfs/dbraw/zinc/64/44/72/611644472.db2.gz OBEJBMFNBZYPJL-KGLIPLIRSA-N 1 0 334.445 0.903 20 10 ECCDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000911338617 609858178 /nfs/dbraw/zinc/85/81/78/609858178.db2.gz PLVFTWCCPILYDZ-XJKSGUPXSA-N 1 0 349.479 0.196 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3C=O)cc2)CC1 ZINC000918845294 610020797 /nfs/dbraw/zinc/02/07/97/610020797.db2.gz KOQGTVILOXVWTD-KRWDZBQOSA-N 1 0 330.432 0.675 20 10 ECCDRO O=C1CO[C@H]2CCN(Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]2N1 ZINC000835055865 611306759 /nfs/dbraw/zinc/30/67/59/611306759.db2.gz ATJKWSUVWVBBCQ-RDJZCZTQSA-N 1 0 349.406 0.752 20 10 ECCDRO C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000842035137 611312133 /nfs/dbraw/zinc/31/21/33/611312133.db2.gz CBPXFWYVISLMIZ-ZFWWWQNUSA-N 1 0 332.448 0.812 20 10 ECCDRO C[C@](Cn1cccn1)([NH2+]Cc1ccc(N2CCOCC2)cc1)C(N)=O ZINC000934220793 611780654 /nfs/dbraw/zinc/78/06/54/611780654.db2.gz YVXBGHUOZDSFFK-GOSISDBHSA-N 1 0 343.431 0.754 20 10 ECCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)cc1C ZINC001026345984 740973562 /nfs/dbraw/zinc/97/35/62/740973562.db2.gz IOPUJBJJZUXVTO-SOUVJXGZSA-N 1 0 331.416 0.816 20 10 ECCDRO COc1cc(C(=O)NC2CCC([NH2+]CC(N)=O)CC2)cc(OC)n1 ZINC001026522077 741512648 /nfs/dbraw/zinc/51/26/48/741512648.db2.gz MRKPXWJLLUGVNF-UHFFFAOYSA-N 1 0 336.392 0.215 20 10 ECCDRO C[C@H]([NH2+][C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1)C(N)=O ZINC001001031919 745994169 /nfs/dbraw/zinc/99/41/69/745994169.db2.gz PUJKOBJDRCKZCK-GWCFXTLKSA-N 1 0 346.391 0.917 20 10 ECCDRO COc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCO)C[C@@H]3C2)cc(OC)n1 ZINC000980141153 749052759 /nfs/dbraw/zinc/05/27/59/749052759.db2.gz MKSNORWZXZJJRQ-AEGPPILISA-N 1 0 349.431 0.921 20 10 ECCDRO C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001044876005 774697859 /nfs/dbraw/zinc/69/78/59/774697859.db2.gz CAPZJLAPRSZXLD-GXFFZTMASA-N 1 0 346.391 0.917 20 10 ECCDRO CNC(=O)CC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000273566773 254537828 /nfs/dbraw/zinc/53/78/28/254537828.db2.gz FHHUMZFDDYPQIT-UHFFFAOYSA-N 1 0 337.420 0.971 20 10 ECCDRO CNS(=O)(=O)C1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271701518 436694929 /nfs/dbraw/zinc/69/49/29/436694929.db2.gz DBAMSZIAAZGCCI-UHFFFAOYSA-N 1 0 344.433 0.923 20 10 ECCDRO COc1ccc(N2CCC[N@H+](CCCS(N)(=O)=O)CC2)cc1 ZINC000170913518 436961330 /nfs/dbraw/zinc/96/13/30/436961330.db2.gz GONYGGOTRAXLAG-UHFFFAOYSA-N 1 0 327.450 0.886 20 10 ECCDRO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1CCN1CCOCC1 ZINC000172698033 437025523 /nfs/dbraw/zinc/02/55/23/437025523.db2.gz MWZRUYYVCDYDIB-QGZVFWFLSA-N 1 0 345.443 0.644 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000283564651 437031482 /nfs/dbraw/zinc/03/14/82/437031482.db2.gz RLYJTKJPECTQMA-NVXWUHKLSA-N 1 0 344.459 0.921 20 10 ECCDRO O=C1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1CCN1CCOCC1 ZINC000296986366 437000362 /nfs/dbraw/zinc/00/03/62/437000362.db2.gz SCLGMRGAGXSLOM-JKSUJKDBSA-N 1 0 345.443 0.902 20 10 ECCDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000193568447 437712303 /nfs/dbraw/zinc/71/23/03/437712303.db2.gz SHGDVTBRDKGCAE-CXAGYDPISA-N 1 0 332.448 0.825 20 10 ECCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3C[C@@H](C)[C@H](O)C3)CC2)cc1 ZINC000754097199 579412910 /nfs/dbraw/zinc/41/29/10/579412910.db2.gz MHLFRDJVDLTCCV-HHXXYDBFSA-N 1 0 349.475 0.491 20 10 ECCDRO O=C1NC(=S)NC(=O)C1=CNNc1ccc(Br)c[nH+]1 ZINC000727490652 578158913 /nfs/dbraw/zinc/15/89/13/578158913.db2.gz RNYVXNKCUVDVBS-UHFFFAOYSA-N 1 0 342.178 0.175 20 10 ECCDRO CC(C)CN1C(=O)C(=CNNc2ccc(F)c[nH+]2)C(=O)NC1=S ZINC000731371810 578312399 /nfs/dbraw/zinc/31/23/99/578312399.db2.gz NHQUCRIJCJFFLD-UXBLZVDNSA-N 1 0 337.380 0.920 20 10 ECCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)[NH+](C)C)cc2)CC1 ZINC000787325611 578805016 /nfs/dbraw/zinc/80/50/16/578805016.db2.gz OQLKUCUFEBZFOS-AWEZNQCLSA-N 1 0 332.448 0.921 20 10 ECCDRO C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000775258641 579264742 /nfs/dbraw/zinc/26/47/42/579264742.db2.gz ICLSARXTJCUHQT-QFBILLFUSA-N 1 0 349.475 0.867 20 10 ECCDRO COc1cc(O)c(C[NH+]2CCC(C(=O)NCCO)CC2)cc1OC ZINC000775652986 579269593 /nfs/dbraw/zinc/26/95/93/579269593.db2.gz YMMAXJYXYFKPBN-UHFFFAOYSA-N 1 0 338.404 0.730 20 10 ECCDRO Cc1cccc(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1O ZINC000775657984 579269609 /nfs/dbraw/zinc/26/96/09/579269609.db2.gz JUDWEOOGPCFVPL-UHFFFAOYSA-N 1 0 345.399 0.494 20 10 ECCDRO C[C@H]1C[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[N@@H+]1C ZINC000743639204 579800208 /nfs/dbraw/zinc/80/02/08/579800208.db2.gz VVDMTJIEANANSL-WDEREUQCSA-N 1 0 341.433 0.976 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cn(CC(N)=O)nn1 ZINC000840975663 588975684 /nfs/dbraw/zinc/97/56/84/588975684.db2.gz JOTWKDADTCIHCG-ZDUSSCGKSA-N 1 0 330.436 0.859 20 10 ECCDRO COC(=O)COc1ccc(N(C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841021410 588976399 /nfs/dbraw/zinc/97/63/99/588976399.db2.gz WBHWIRRTCIVHLW-CQSZACIVSA-N 1 0 349.431 0.872 20 10 ECCDRO O=C(NCCN1CC[NH2+]CC1)NCc1ccc(N2CCCC2)cc1 ZINC000841709152 588998718 /nfs/dbraw/zinc/99/87/18/588998718.db2.gz DAEZFOBDANNPHH-UHFFFAOYSA-N 1 0 331.464 0.991 20 10 ECCDRO CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000842036834 589008990 /nfs/dbraw/zinc/00/89/90/589008990.db2.gz QZZXNBWLDQRWEM-ZBFHGGJFSA-N 1 0 332.448 0.955 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000842036754 589009003 /nfs/dbraw/zinc/00/90/03/589009003.db2.gz WRPBARUXAGZCRI-OWCLPIDISA-N 1 0 344.459 0.873 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000842070391 589010607 /nfs/dbraw/zinc/01/06/07/589010607.db2.gz OLXAQNDDRCKZRL-ZFWWWQNUSA-N 1 0 332.448 0.586 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000842070029 589010640 /nfs/dbraw/zinc/01/06/40/589010640.db2.gz KNLKWECLUNBODD-DYVFJYSZSA-N 1 0 346.475 0.962 20 10 ECCDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000842092206 589011518 /nfs/dbraw/zinc/01/15/18/589011518.db2.gz KGNABGKEPRTSDF-QWRGUYRKSA-N 1 0 342.490 0.856 20 10 ECCDRO O=C(NCCCSc1nccs1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000842094178 589011807 /nfs/dbraw/zinc/01/18/07/589011807.db2.gz WREZGVANKUCGKL-NSHDSACASA-N 1 0 342.490 0.857 20 10 ECCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H](C)[NH2+]1 ZINC000842147515 589014149 /nfs/dbraw/zinc/01/41/49/589014149.db2.gz FXGOEYYIMCAJJY-RYUDHWBXSA-N 1 0 336.411 0.717 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1F ZINC000842148315 589014472 /nfs/dbraw/zinc/01/44/72/589014472.db2.gz MCSMHXKZMCZPPZ-DGCLKSJQSA-N 1 0 336.411 0.752 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)ccc21 ZINC000842149970 589014839 /nfs/dbraw/zinc/01/48/39/589014839.db2.gz IUWOXJLNEHDHNI-OAHLLOKOSA-N 1 0 330.432 0.539 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000842153855 589015304 /nfs/dbraw/zinc/01/53/04/589015304.db2.gz QMOGPUVCFBTVES-OAHLLOKOSA-N 1 0 332.448 0.936 20 10 ECCDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000842154311 589015316 /nfs/dbraw/zinc/01/53/16/589015316.db2.gz SMKIMQILNLJDKO-CQSZACIVSA-N 1 0 332.448 0.745 20 10 ECCDRO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C[N@@H+]1C1CC1 ZINC000842165805 589016133 /nfs/dbraw/zinc/01/61/33/589016133.db2.gz HUMHUTQFYWQXOF-DOMZBBRYSA-N 1 0 330.432 0.669 20 10 ECCDRO C[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(N(C)C)cc1 ZINC000842202521 589020496 /nfs/dbraw/zinc/02/04/96/589020496.db2.gz IPHICCLMERAIAE-BJJXKVORSA-N 1 0 330.432 0.750 20 10 ECCDRO C[C@H](NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc(N(C)C)cc1 ZINC000842203662 589020686 /nfs/dbraw/zinc/02/06/86/589020686.db2.gz VRAQGDDURNLBFZ-XJKSGUPXSA-N 1 0 348.447 0.506 20 10 ECCDRO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCNC(=O)C2)[NH+](C)C)cc1 ZINC000891254508 586156789 /nfs/dbraw/zinc/15/67/89/586156789.db2.gz YOCQUOCIKLRCOA-GDBMZVCRSA-N 1 0 332.448 0.998 20 10 ECCDRO COc1ccc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)c(O)c1OC ZINC000896053387 586219397 /nfs/dbraw/zinc/21/93/97/586219397.db2.gz BOFWVBQKZCRUAD-UHFFFAOYSA-N 1 0 344.433 0.923 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NCC3CC3)cc2)CC1 ZINC000897398018 586309963 /nfs/dbraw/zinc/30/99/63/586309963.db2.gz QJCACPXZLHFYTD-UHFFFAOYSA-N 1 0 330.432 0.581 20 10 ECCDRO CNS(=O)(=O)NC1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000894608096 586403755 /nfs/dbraw/zinc/40/37/55/586403755.db2.gz DSOMFBCVVOSIJT-UHFFFAOYSA-N 1 0 343.449 0.727 20 10 ECCDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894696821 586406773 /nfs/dbraw/zinc/40/67/73/586406773.db2.gz ZRMOWEHQVGRNSZ-LLVKDONJSA-N 1 0 332.422 0.827 20 10 ECCDRO COC(=O)[C@H]1CN(Cc2ccc(OC)c(OC)c2O)CC[N@H+](C)C1 ZINC000894896159 586418075 /nfs/dbraw/zinc/41/80/75/586418075.db2.gz JFXSQWJTOUMHOF-CYBMUJFWSA-N 1 0 338.404 0.946 20 10 ECCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3nnnn3c2)cc1 ZINC000843297653 589059820 /nfs/dbraw/zinc/05/98/20/589059820.db2.gz JHBONPZULXQSDB-CQSZACIVSA-N 1 0 325.376 0.620 20 10 ECCDRO CCOc1cccc(C[NH2+]CC[C@H]2CNCCS2(=O)=O)c1O ZINC000903967306 586828402 /nfs/dbraw/zinc/82/84/02/586828402.db2.gz BZWPVINUQRLGGZ-ZDUSSCGKSA-N 1 0 328.434 0.657 20 10 ECCDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCC(N)=O)CC2)cc1 ZINC000905399855 586891457 /nfs/dbraw/zinc/89/14/57/586891457.db2.gz HVXJSSSKYKYKQS-UHFFFAOYSA-N 1 0 348.447 0.589 20 10 ECCDRO CN(C)C(=O)CNC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905529149 586900222 /nfs/dbraw/zinc/90/02/22/586900222.db2.gz KQNWACJGUIQJQF-UHFFFAOYSA-N 1 0 349.504 0.491 20 10 ECCDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C[NH2+]1 ZINC000817991170 587395199 /nfs/dbraw/zinc/39/51/99/587395199.db2.gz NSGBKXKZOPBAQP-ZIAGYGMSSA-N 1 0 332.448 0.920 20 10 ECCDRO O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844174362 589098822 /nfs/dbraw/zinc/09/88/22/589098822.db2.gz XYUSEDUEXLTRRW-ZSHCYNCHSA-N 1 0 349.456 0.003 20 10 ECCDRO NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)C1 ZINC000844174924 589098829 /nfs/dbraw/zinc/09/88/29/589098829.db2.gz DQFDQPQCTXTGSP-KFWWJZLASA-N 1 0 330.432 0.742 20 10 ECCDRO CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)[NH+](C)C)cc2)CC1 ZINC000822320712 587653423 /nfs/dbraw/zinc/65/34/23/587653423.db2.gz OQLKUCUFEBZFOS-CQSZACIVSA-N 1 0 332.448 0.921 20 10 ECCDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000827158008 588102488 /nfs/dbraw/zinc/10/24/88/588102488.db2.gz LWZJXQRVCPREFX-UHFFFAOYSA-N 1 0 348.491 0.975 20 10 ECCDRO 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CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000875005674 590261946 /nfs/dbraw/zinc/26/19/46/590261946.db2.gz BIEXHMZLDBGFKH-RDJZCZTQSA-N 1 0 344.459 0.921 20 10 ECCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000879652044 590332058 /nfs/dbraw/zinc/33/20/58/590332058.db2.gz UUZGKYUBLRYQPY-SRVKXCTJSA-N 1 0 326.418 0.735 20 10 ECCDRO CN1CC[C@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000881850558 590480398 /nfs/dbraw/zinc/48/03/98/590480398.db2.gz YDRUTHXKLSIJHQ-INIZCTEOSA-N 1 0 344.459 0.923 20 10 ECCDRO CCN(C(=O)C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CC[NH2+]C1 ZINC000884531247 590851585 /nfs/dbraw/zinc/85/15/85/590851585.db2.gz HDEPDDVOLJGFLA-MRXNPFEDSA-N 1 0 332.448 0.888 20 10 ECCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000884638308 590880143 /nfs/dbraw/zinc/88/01/43/590880143.db2.gz UABDIVVYNYKMKL-HOCLYGCPSA-N 1 0 330.432 0.722 20 10 ECCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@H]3COC[C@@H]3C)CC2)cc1 ZINC000932491027 611634624 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341.433 0.976 20 10 ECCDRO OCCOC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCOCC1 ZINC000282703049 437020275 /nfs/dbraw/zinc/02/02/75/437020275.db2.gz PAUTZRQNSJRQKD-UHFFFAOYSA-N 1 0 325.361 0.769 20 10 ECCDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000264457684 437032213 /nfs/dbraw/zinc/03/22/13/437032213.db2.gz PBESNOXDCYCEFH-LBPRGKRZSA-N 1 0 341.433 0.930 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](C)[C@@H]1CO)cc2=O ZINC000276024291 437045890 /nfs/dbraw/zinc/04/58/90/437045890.db2.gz KWUSZQPNRCOVFB-MFKMUULPSA-N 1 0 334.376 0.814 20 10 ECCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000178904267 437238488 /nfs/dbraw/zinc/23/84/88/437238488.db2.gz YVDXWIGCMMEDIL-QGZVFWFLSA-N 1 0 346.475 0.775 20 10 ECCDRO CO[C@H](C[NH3+])CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000278231364 437293149 /nfs/dbraw/zinc/29/31/49/437293149.db2.gz KKVWDHMAZHFFIB-AWEZNQCLSA-N 1 0 339.411 0.767 20 10 ECCDRO CO[C@H](C[NH3+])CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000278251952 437296957 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LVHSAJHGUMHILE-UHFFFAOYSA-N 1 0 347.463 0.716 20 10 ECCDRO C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C[NH3+] ZINC000884519902 590848700 /nfs/dbraw/zinc/84/87/00/590848700.db2.gz HIKCZARHDDLLOA-DGCLKSJQSA-N 1 0 336.411 0.561 20 10 ECCDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000884521152 590849689 /nfs/dbraw/zinc/84/96/89/590849689.db2.gz PBQAPBPDZJIJIW-WFASDCNBSA-N 1 0 330.432 0.633 20 10 ECCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)cc1 ZINC000061170797 609753390 /nfs/dbraw/zinc/75/33/90/609753390.db2.gz BKFPUQRLIXIQGG-QGZVFWFLSA-N 1 0 335.448 0.510 20 10 ECCDRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CC1)c1ccc(N2CCOCC2)cc1 ZINC000911078065 609801856 /nfs/dbraw/zinc/80/18/56/609801856.db2.gz QGUYUNIAJWIUCF-ZDUSSCGKSA-N 1 0 346.431 0.308 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1F ZINC000911112233 609811538 /nfs/dbraw/zinc/81/15/38/609811538.db2.gz JWOJWHLGFDLSNX-KWCYVHTRSA-N 1 0 334.395 0.517 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCC(=O)N3)cc2)CC1 ZINC000918864943 610021403 /nfs/dbraw/zinc/02/14/03/610021403.db2.gz GKIZTRSICUVIFU-HNNXBMFYSA-N 1 0 330.432 0.723 20 10 ECCDRO COc1ccc(N2CCC(NS(=O)(=O)C3C[NH2+]C3)CC2)cc1 ZINC000923604518 611328067 /nfs/dbraw/zinc/32/80/67/611328067.db2.gz WZPJXYYEAUQRCP-UHFFFAOYSA-N 1 0 325.434 0.555 20 10 ECCDRO C[NH+]1CCN(c2ccc(CNc3ccc(CC(N)=O)nn3)cc2)CC1 ZINC001167422959 734213194 /nfs/dbraw/zinc/21/31/94/734213194.db2.gz IGYMTRRLSLTGEC-UHFFFAOYSA-N 1 0 340.431 0.868 20 10 ECCDRO CC1(C)CN(CC(N)=O)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000977660140 745353209 /nfs/dbraw/zinc/35/32/09/745353209.db2.gz KTPNKWGVUZVXTJ-LBPRGKRZSA-N 1 0 346.391 0.775 20 10 ECCDRO CN1C(=O)C(=CNC[C@H](Cc2ccccc2)[NH+](C)C)C(=O)N(C)C1=O ZINC000029006132 745481580 /nfs/dbraw/zinc/48/15/80/745481580.db2.gz YINBDLWHQWMJCG-AWEZNQCLSA-N 1 0 344.415 0.683 20 10 ECCDRO NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001001033561 745995784 /nfs/dbraw/zinc/99/57/84/745995784.db2.gz YIUFORNLNCFBQX-GFCCVEGCSA-N 1 0 332.364 0.529 20 10 ECCDRO C[C@H](C(N)=O)N1CCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001028340312 752435478 /nfs/dbraw/zinc/43/54/78/752435478.db2.gz NUZIZXAABGVHKF-MFKMUULPSA-N 1 0 346.391 0.917 20 10 ECCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cn3cnnn3)C2)cc1C ZINC000983124247 754688038 /nfs/dbraw/zinc/68/80/38/754688038.db2.gz POKZHSDJPKIVQA-SHTZXODSSA-N 1 0 344.419 0.675 20 10 ECCDRO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052964194 765424060 /nfs/dbraw/zinc/42/40/60/765424060.db2.gz FAVFZVXOSGOWTH-GFCCVEGCSA-N 1 0 346.391 0.919 20 10 ECCDRO COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C)NC(N)=O)cc1C ZINC001267978392 838916374 /nfs/dbraw/zinc/91/63/74/838916374.db2.gz CVZSUWJJIPXJGA-AAEUAGOBSA-N 1 0 336.436 0.902 20 10 ECCDRO CC[C@H](CO)[NH+]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000072797972 436053238 /nfs/dbraw/zinc/05/32/38/436053238.db2.gz URBYSVRTAHFSGL-QGZVFWFLSA-N 1 0 348.491 0.757 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000269299539 436656529 /nfs/dbraw/zinc/65/65/29/436656529.db2.gz PXEWYDPSIDHHJZ-OAHLLOKOSA-N 1 0 332.448 0.543 20 10 ECCDRO CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000271246686 436679364 /nfs/dbraw/zinc/67/93/64/436679364.db2.gz GOESPLAZLRHFPQ-NSHDSACASA-N 1 0 328.390 0.635 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H]([C@H](C)O)C1)cc2=O ZINC000272608387 436720911 /nfs/dbraw/zinc/72/09/11/436720911.db2.gz RXRNMMTZSRHXLT-QWRGUYRKSA-N 1 0 334.376 0.814 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1 ZINC000278802320 437345314 /nfs/dbraw/zinc/34/53/14/437345314.db2.gz FWTHYEZITCMVQP-LJQANCHMSA-N 1 0 344.459 0.923 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(C)(O)CC1)cc2=O ZINC000268497257 437426143 /nfs/dbraw/zinc/42/61/43/437426143.db2.gz WPPBXPQIEFVVLU-UHFFFAOYSA-N 1 0 334.376 0.958 20 10 ECCDRO Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419707156 438369661 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C[C@H](NC(=O)NCC(=O)N1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000841883231 589004297 /nfs/dbraw/zinc/00/42/97/589004297.db2.gz SUUXXBYTTCTNIG-ZDUSSCGKSA-N 1 0 333.436 0.545 20 10 ECCDRO O=C(NCCCSc1nccs1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842093049 589011355 /nfs/dbraw/zinc/01/13/55/589011355.db2.gz NZRFSACCVSTSJF-MNOVXSKESA-N 1 0 340.474 0.562 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)NCC2CC[NH2+]CC2)cc1F ZINC000842147243 589014271 /nfs/dbraw/zinc/01/42/71/589014271.db2.gz CYVGPTAOBWHQIE-UHFFFAOYSA-N 1 0 336.411 0.624 20 10 ECCDRO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC000842149029 589014582 /nfs/dbraw/zinc/01/45/82/589014582.db2.gz SSLJYMNFJYVSTJ-WCQYABFASA-N 1 0 336.411 0.765 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)ccc21 ZINC000842149785 589014848 /nfs/dbraw/zinc/01/48/48/589014848.db2.gz FKXWMTWKCGJQPT-CJNGLKHVSA-N 1 0 344.459 0.929 20 10 ECCDRO CN1CCCc2cc(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)ccc21 ZINC000842150689 589014906 /nfs/dbraw/zinc/01/49/06/589014906.db2.gz VSMIVEYGCUBTAA-HNNXBMFYSA-N 1 0 330.432 0.635 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000842151929 589014954 /nfs/dbraw/zinc/01/49/54/589014954.db2.gz DKNSMEHVBOWNRA-CZUORRHYSA-N 1 0 332.448 0.873 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000842154115 589015235 /nfs/dbraw/zinc/01/52/35/589015235.db2.gz RLQMSLUJUBGOQE-UONOGXRCSA-N 1 0 332.448 0.873 20 10 ECCDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842171809 589016878 /nfs/dbraw/zinc/01/68/78/589016878.db2.gz XIXZBULMADXWAQ-ZBFHGGJFSA-N 1 0 342.443 0.875 20 10 ECCDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842171951 589016963 /nfs/dbraw/zinc/01/69/63/589016963.db2.gz XZVPLUGPRMLVAL-MRXNPFEDSA-N 1 0 330.432 0.779 20 10 ECCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000842171464 589016985 /nfs/dbraw/zinc/01/69/85/589016985.db2.gz RIUZGSPBJCFJES-MRXNPFEDSA-N 1 0 342.443 0.937 20 10 ECCDRO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000842265020 589025315 /nfs/dbraw/zinc/02/53/15/589025315.db2.gz ATWILZSTERUVSF-HIFRSBDPSA-N 1 0 332.448 0.968 20 10 ECCDRO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)[NH+](C)C)cc1 ZINC000891255974 586156766 /nfs/dbraw/zinc/15/67/66/586156766.db2.gz UMHKNLHMBLMZPE-HOCLYGCPSA-N 1 0 332.448 0.950 20 10 ECCDRO COc1ccc(N2CCN(C[C@H](O)C[NH2+]CCCCO)CC2)cc1 ZINC000843061034 589048881 /nfs/dbraw/zinc/04/88/81/589048881.db2.gz DTVDMLHPTHFHSB-QGZVFWFLSA-N 1 0 337.464 0.540 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000903715886 586804304 /nfs/dbraw/zinc/80/43/04/586804304.db2.gz PAQQJXPZLUPYJM-OAHLLOKOSA-N 1 0 332.448 0.907 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000803180709 587055526 /nfs/dbraw/zinc/05/55/26/587055526.db2.gz NBIOEEGKPIGELF-ZDUSSCGKSA-N 1 0 348.422 0.861 20 10 ECCDRO OCc1cn(CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000810162537 587191026 /nfs/dbraw/zinc/19/10/26/587191026.db2.gz LBNCQBXZXUVOSG-UHFFFAOYSA-N 1 0 331.420 0.787 20 10 ECCDRO O=C1NC[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)CCN2C1=O ZINC000816520600 587315129 /nfs/dbraw/zinc/31/51/29/587315129.db2.gz SVGLSMQGXMBOHS-AWEZNQCLSA-N 1 0 325.368 0.688 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000817917317 587391654 /nfs/dbraw/zinc/39/16/54/587391654.db2.gz AXNAOCMSQTYWAO-RDJZCZTQSA-N 1 0 344.459 0.921 20 10 ECCDRO CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000817949074 587393459 /nfs/dbraw/zinc/39/34/59/587393459.db2.gz HHNDTSUSMKFYER-OAHLLOKOSA-N 1 0 349.431 0.707 20 10 ECCDRO [NH3+]CC1(CCNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000846329338 589196615 /nfs/dbraw/zinc/19/66/15/589196615.db2.gz NICIAECTODXZKG-UHFFFAOYSA-N 1 0 342.443 0.924 20 10 ECCDRO COc1ccc(N2CC[C@H](CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)C2)cc1 ZINC000846683101 589218682 /nfs/dbraw/zinc/21/86/82/589218682.db2.gz OLBQCCPZEJSDFK-VCBZYWHSSA-N 1 0 345.443 0.874 20 10 ECCDRO COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)C2)cc1 ZINC000846682823 589218808 /nfs/dbraw/zinc/21/88/08/589218808.db2.gz MLPYMNWVYUIHJZ-YOEHRIQHSA-N 1 0 334.464 0.917 20 10 ECCDRO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851685334 589413588 /nfs/dbraw/zinc/41/35/88/589413588.db2.gz RTTNQMJKEDZRSV-UHFFFAOYSA-N 1 0 340.427 0.547 20 10 ECCDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851691598 589415575 /nfs/dbraw/zinc/41/55/75/589415575.db2.gz JJQOTUVLCRWURZ-ZDUSSCGKSA-N 1 0 348.447 0.070 20 10 ECCDRO [NH3+]CCn1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)nn1 ZINC000852790315 589512033 /nfs/dbraw/zinc/51/20/33/589512033.db2.gz OVPVBXCMWRMZCH-UHFFFAOYSA-N 1 0 346.460 0.720 20 10 ECCDRO Cc1cnc2nc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)nn2c1 ZINC000852792459 589512213 /nfs/dbraw/zinc/51/22/13/589512213.db2.gz WTJLZPBNDXDLJU-CQSZACIVSA-N 1 0 339.403 0.929 20 10 ECCDRO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000852843868 589516968 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0.764 20 10 ECCDRO COc1ccc(N2CCN(CCNC(=O)N(C)[C@H](C)C[NH3+])CC2)cc1 ZINC000841750527 588999655 /nfs/dbraw/zinc/99/96/55/588999655.db2.gz RQTXAPGXRGSQCV-OAHLLOKOSA-N 1 0 349.479 0.806 20 10 ECCDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000842070388 589010646 /nfs/dbraw/zinc/01/06/46/589010646.db2.gz OLXAQNDDRCKZRL-DZGCQCFKSA-N 1 0 332.448 0.586 20 10 ECCDRO C[C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)C[C@H](C)[NH2+]1 ZINC000842092764 589011459 /nfs/dbraw/zinc/01/14/59/589011459.db2.gz MOJGNLMWCGSDPE-PHIMTYICSA-N 1 0 342.490 0.950 20 10 ECCDRO C[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000842148436 589014558 /nfs/dbraw/zinc/01/45/58/589014558.db2.gz NNXISBNBCVYXRP-FZMZJTMJSA-N 1 0 336.411 0.704 20 10 ECCDRO CN(C(=O)C(=O)NCc1ccc2c(c1)CCCN2C)C1CC[NH2+]CC1 ZINC000842150049 589014674 /nfs/dbraw/zinc/01/46/74/589014674.db2.gz MDZJTZUANKOOFP-UHFFFAOYSA-N 1 0 344.459 0.896 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000842149408 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CN(C)c1ccc(/C=C/C[NH2+]CCNS(=O)(=O)N(C)C)cc1 ZINC000839092035 586837736 /nfs/dbraw/zinc/83/77/36/586837736.db2.gz WCDULOCTLLKNIW-AATRIKPKSA-N 1 0 326.466 0.751 20 10 ECCDRO COC(=O)[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC[N@H+](C)C1 ZINC000840244060 587229633 /nfs/dbraw/zinc/22/96/33/587229633.db2.gz JEOLHPOQPVBPKY-OAHLLOKOSA-N 1 0 348.447 0.999 20 10 ECCDRO Cc1ccnc2nc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)nn21 ZINC000844163233 589097244 /nfs/dbraw/zinc/09/72/44/589097244.db2.gz WATLKRHYPPCJDJ-CQSZACIVSA-N 1 0 339.403 0.929 20 10 ECCDRO COc1ccc(N2CC[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])C2)cc1 ZINC000818676400 587445090 /nfs/dbraw/zinc/44/50/90/587445090.db2.gz NMROYVNRYSJGMB-CHWSQXEVSA-N 1 0 334.420 0.101 20 10 ECCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CNCc3cc[nH]n3)CC2)cc1 ZINC000818957469 587462300 /nfs/dbraw/zinc/46/23/00/587462300.db2.gz WFTRNTVCAULVQG-KRWDZBQOSA-N 1 0 345.447 0.691 20 10 ECCDRO COc1ccc(N2CCN(C(=O)COC3(C)C[NH2+]C3)CC2)cc1F ZINC000844191760 589101973 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COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3COC[C@H]3OC)CC2)cc1 ZINC000830081327 588359584 /nfs/dbraw/zinc/35/95/84/588359584.db2.gz MNJHNYSPENSGCL-IAGOWNOFSA-N 1 0 349.431 0.347 20 10 ECCDRO CN[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000832272966 588477533 /nfs/dbraw/zinc/47/75/33/588477533.db2.gz KQBQNICIFILCQF-HZPDHXFCSA-N 1 0 330.436 0.563 20 10 ECCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C(=O)NC3CC3)CC2)cc1 ZINC000832280669 588477694 /nfs/dbraw/zinc/47/76/94/588477694.db2.gz PWBITSTVTHTKLV-OAHLLOKOSA-N 1 0 330.432 0.927 20 10 ECCDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)CN2CCOCC2)cc1 ZINC000844400194 589110333 /nfs/dbraw/zinc/11/03/33/589110333.db2.gz WZCXRTJWXVMCTI-KRWDZBQOSA-N 1 0 337.464 0.756 20 10 ECCDRO O[C@@H]1CC[N@@H+](C2CN(Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000846067538 589183450 /nfs/dbraw/zinc/18/34/50/589183450.db2.gz HSLFBONKFHXNHH-MRXNPFEDSA-N 1 0 335.423 0.913 20 10 ECCDRO COc1ccc(N(C)CCN(C)C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000846342550 589197258 /nfs/dbraw/zinc/19/72/58/589197258.db2.gz FHZRRCKHRPABBS-AWEZNQCLSA-N 1 0 348.447 0.458 20 10 ECCDRO COc1ccc(N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)cc1F ZINC000846674964 589218338 /nfs/dbraw/zinc/21/83/38/589218338.db2.gz ZIOWBLMEBJAVPS-UGSOOPFHSA-N 1 0 349.406 0.719 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848929069 589315748 /nfs/dbraw/zinc/31/57/48/589315748.db2.gz CONFPNUAFIXHAI-FZNQNYSPSA-N 1 0 332.448 0.825 20 10 ECCDRO Cn1nccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850355200 589365059 /nfs/dbraw/zinc/36/50/59/589365059.db2.gz AMBBIQVTWTWULZ-UHFFFAOYSA-N 1 0 334.445 0.945 20 10 ECCDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850435392 589366612 /nfs/dbraw/zinc/36/66/12/589366612.db2.gz NBVGSPIEVKUSRQ-AWEZNQCLSA-N 1 0 349.460 0.691 20 10 ECCDRO C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCO1 ZINC000850866952 589388722 /nfs/dbraw/zinc/38/87/22/589388722.db2.gz HKCCDEDODAYHKS-HNNXBMFYSA-N 1 0 334.420 0.777 20 10 ECCDRO C[C@@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)c1ccc(N(C)C)cc1 ZINC000851687041 589414130 /nfs/dbraw/zinc/41/41/30/589414130.db2.gz YJLQEXINTZEHSU-WHENESEISA-N 1 0 330.432 0.798 20 10 ECCDRO COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCC3)C2)cc1 ZINC000851689213 589415106 /nfs/dbraw/zinc/41/51/06/589415106.db2.gz MIXZHPVBHFBHAR-ZDUSSCGKSA-N 1 0 346.431 0.388 20 10 ECCDRO COc1ccc(N2CCCN(C(=O)C3=NO[C@H](C[NH3+])C3)CC2)cc1 ZINC000852861892 589518964 /nfs/dbraw/zinc/51/89/64/589518964.db2.gz MCFIWRZRCAJMGV-HNNXBMFYSA-N 1 0 332.404 0.838 20 10 ECCDRO C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4COC[C@]4(C(=O)[O-])C3)cc2)CC1 ZINC000854242464 589576360 /nfs/dbraw/zinc/57/63/60/589576360.db2.gz MOIGKHYRZDXFLC-VQIMIIECSA-N 1 0 345.443 0.971 20 10 ECCDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000859959824 589731485 /nfs/dbraw/zinc/73/14/85/589731485.db2.gz XMYRYZSBYUYLBJ-FZNQNYSPSA-N 1 0 332.448 0.907 20 10 ECCDRO COc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000861758931 589888603 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COc1ccc(C[NH2+]C[C@H]2CN(C(=O)c3cn[nH]n3)CCO2)cc1C ZINC001051696858 762716433 /nfs/dbraw/zinc/71/64/33/762716433.db2.gz AJGKGJCJJZUNEX-AWEZNQCLSA-N 1 0 345.403 0.753 20 10 ECCDRO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)cc1C ZINC001268081069 839281013 /nfs/dbraw/zinc/28/10/13/839281013.db2.gz PIKKBOFZUMMOJM-JSGCOSHPSA-N 1 0 334.420 0.622 20 10 ECCDRO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCNC1=O ZINC000070976663 435997996 /nfs/dbraw/zinc/99/79/96/435997996.db2.gz CDZUJAKOFNVKSS-AWEZNQCLSA-N 1 0 333.388 0.925 20 10 ECCDRO CCN1C(=O)C(=CNCCC[NH+]2CCCC2)C(=O)N(CC)C1=S ZINC000052536861 436508924 /nfs/dbraw/zinc/50/89/24/436508924.db2.gz YPBYHGUKPMSERM-UHFFFAOYSA-N 1 0 338.477 0.941 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000283501058 437029336 /nfs/dbraw/zinc/02/93/36/437029336.db2.gz NNXCUVUUISBTKO-UHFFFAOYSA-N 1 0 332.448 0.921 20 10 ECCDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000299292413 437066805 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NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000790608791 578876384 /nfs/dbraw/zinc/87/63/84/578876384.db2.gz GJYSDXKIFJODGW-ZDUSSCGKSA-N 1 0 333.388 0.652 20 10 ECCDRO COc1cc(O)c(C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1OC ZINC000768442049 579125568 /nfs/dbraw/zinc/12/55/68/579125568.db2.gz OASDJERETGDPDD-UHFFFAOYSA-N 1 0 344.433 0.923 20 10 ECCDRO Cc1ccc(O)c(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000768919951 579134871 /nfs/dbraw/zinc/13/48/71/579134871.db2.gz JYISMXFNNLPJHU-UHFFFAOYSA-N 1 0 345.399 0.494 20 10 ECCDRO C[C@H](O)C(=O)N1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775726768 579270490 /nfs/dbraw/zinc/27/04/90/579270490.db2.gz WDAVFEAHHBCJJN-INIZCTEOSA-N 1 0 346.475 0.463 20 10 ECCDRO COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3CC[C@H](CO)C3)CC2)cc1 ZINC000779221939 579314372 /nfs/dbraw/zinc/31/43/72/579314372.db2.gz DJQHVXIMTPTKAX-WMZOPIPTSA-N 1 0 349.475 0.492 20 10 ECCDRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2=CC(=O)CS2)cn1 ZINC000743618060 579799935 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ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000842147994 589014476 /nfs/dbraw/zinc/01/44/76/589014476.db2.gz KKZJMWPWQINOFV-BETUJISGSA-N 1 0 334.395 0.186 20 10 ECCDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000842149801 589014849 /nfs/dbraw/zinc/01/48/49/589014849.db2.gz FVKGEXVQKWTJPT-XJKSGUPXSA-N 1 0 344.459 0.799 20 10 ECCDRO [NH3+]C1(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCC1 ZINC000842170143 589016652 /nfs/dbraw/zinc/01/66/52/589016652.db2.gz COCJVFJZKLCQLG-UHFFFAOYSA-N 1 0 328.416 0.677 20 10 ECCDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000842171830 589016807 /nfs/dbraw/zinc/01/68/07/589016807.db2.gz XPKAUEXNRHZGNL-PBHICJAKSA-N 1 0 342.443 0.793 20 10 ECCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000842206475 589020996 /nfs/dbraw/zinc/02/09/96/589020996.db2.gz GVDLPHWQJYTUKX-AWEZNQCLSA-N 1 0 332.448 0.969 20 10 ECCDRO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000842207668 589021191 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ECCDRO COC(=O)[C@@]1(C[NH2+]Cc2cccc(C)c2O)C[C@@H]1S(C)(=O)=O ZINC000895509062 586186140 /nfs/dbraw/zinc/18/61/40/586186140.db2.gz OFKJVSFCGISBBX-SWLSCSKDSA-N 1 0 327.402 0.767 20 10 ECCDRO Cc1cnn(C)c1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784164 589036447 /nfs/dbraw/zinc/03/64/47/589036447.db2.gz CBOJKPHCDLTCKH-CQSZACIVSA-N 1 0 337.449 0.773 20 10 ECCDRO CCn1cncc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785682 589036451 /nfs/dbraw/zinc/03/64/51/589036451.db2.gz VFKXSGHFWJTRPZ-CQSZACIVSA-N 1 0 337.449 0.947 20 10 ECCDRO COCCCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897319302 586299028 /nfs/dbraw/zinc/29/90/28/586299028.db2.gz ZLMBEYXWWXPHTQ-UHFFFAOYSA-N 1 0 348.447 0.207 20 10 ECCDRO COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@H](C)CCO)CC2)cc1 ZINC000843083367 589049592 /nfs/dbraw/zinc/04/95/92/589049592.db2.gz PGKFLBRQAJZQSP-WBVHZDCISA-N 1 0 337.464 0.539 20 10 ECCDRO COCCN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898328958 586414779 /nfs/dbraw/zinc/41/47/79/586414779.db2.gz HRVGRPFGOAKVAH-UHFFFAOYSA-N 1 0 348.447 0.159 20 10 ECCDRO CCOc1ccc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)c(O)c1 ZINC000903969547 586829180 /nfs/dbraw/zinc/82/91/80/586829180.db2.gz ZPOGSKAVKFLIDC-CQSZACIVSA-N 1 0 328.434 0.657 20 10 ECCDRO COc1cc(Br)cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c1O ZINC000839167399 586839782 /nfs/dbraw/zinc/83/97/82/586839782.db2.gz YLZUNZNYUHIQLV-KOLCDFICSA-N 1 0 332.194 0.948 20 10 ECCDRO Oc1ccc(Br)cc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000839178950 586840168 /nfs/dbraw/zinc/84/01/68/586840168.db2.gz JHJVGGKIIVIUPM-NSHDSACASA-N 1 0 327.182 0.897 20 10 ECCDRO COC(=O)C[C@]1([NH2+]CC(=O)NCc2ccc(N(C)C)cc2)CCOC1 ZINC000839561319 586880585 /nfs/dbraw/zinc/88/05/85/586880585.db2.gz UFJHBKOCFQHVDI-GOSISDBHSA-N 1 0 349.431 0.681 20 10 ECCDRO COc1ccc(N2CC[NH+](C[C@@H](O)C[C@@]3(O)CCOC3)CC2)cc1 ZINC000905876270 586919234 /nfs/dbraw/zinc/91/92/34/586919234.db2.gz WJKFXACUWLYIGQ-WMZOPIPTSA-N 1 0 336.432 0.720 20 10 ECCDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(F)ccc(O)c1O ZINC000844148768 589096622 /nfs/dbraw/zinc/09/66/22/589096622.db2.gz DGHXMHDERFPLMB-VIFPVBQESA-N 1 0 325.340 0.429 20 10 ECCDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1 ZINC000817918520 587392076 /nfs/dbraw/zinc/39/20/76/587392076.db2.gz KLMHVNWHCMKZFD-BBRMVZONSA-N 1 0 348.447 0.286 20 10 ECCDRO Cn1cc([C@@H]2CN(C(=O)NCCc3ccc(N)cc3)C[C@H]2[NH3+])cn1 ZINC000818655357 587443381 /nfs/dbraw/zinc/44/33/81/587443381.db2.gz IUNMKTVRZZNQIF-JKSUJKDBSA-N 1 0 328.420 0.681 20 10 ECCDRO COc1ccc(N2CC[C@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2)cc1 ZINC000818675812 587445125 /nfs/dbraw/zinc/44/51/25/587445125.db2.gz HGAFQFYTNQEFMM-ZIAGYGMSSA-N 1 0 348.447 0.443 20 10 ECCDRO COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000818677209 587445470 /nfs/dbraw/zinc/44/54/70/587445470.db2.gz RCFBLKQLIPNNID-KGLIPLIRSA-N 1 0 346.431 0.116 20 10 ECCDRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000826707761 588079990 /nfs/dbraw/zinc/07/99/90/588079990.db2.gz XNTRZXJEQPHHCQ-HNNXBMFYSA-N 1 0 332.448 0.969 20 10 ECCDRO O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000827394905 588118429 /nfs/dbraw/zinc/11/84/29/588118429.db2.gz GGDXPZKKDJUXTF-OAHLLOKOSA-N 1 0 337.445 0.290 20 10 ECCDRO COC[C@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC[NH2+]C1 ZINC000827567709 588128844 /nfs/dbraw/zinc/12/88/44/588128844.db2.gz VUZJDHVJMLDCAJ-SFHVURJKSA-N 1 0 333.432 0.766 20 10 ECCDRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCCSc1nccs1 ZINC000829527869 588328516 /nfs/dbraw/zinc/32/85/16/588328516.db2.gz HMTZVRLBQGTFOP-NSHDSACASA-N 1 0 342.490 1.000 20 10 ECCDRO COc1ccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c(O)c1 ZINC000832178098 588472154 /nfs/dbraw/zinc/47/21/54/588472154.db2.gz NLXGXCDTMZEHHW-GFCCVEGCSA-N 1 0 331.376 0.674 20 10 ECCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CNC(=O)c2cccnc2)cc1 ZINC000832265944 588477328 /nfs/dbraw/zinc/47/73/28/588477328.db2.gz CEANKRQQXYDRJA-MRXNPFEDSA-N 1 0 341.415 0.694 20 10 ECCDRO Cc1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)c(C)n1-c1ccccn1 ZINC000832410538 588482723 /nfs/dbraw/zinc/48/27/23/588482723.db2.gz WUTBMUZORIAFPI-UHFFFAOYSA-N 1 0 341.415 0.651 20 10 ECCDRO C[NH+](C)CC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000846672035 589217956 /nfs/dbraw/zinc/21/79/56/589217956.db2.gz BBOVSJMYLRYCTM-HNNXBMFYSA-N 1 0 338.427 0.558 20 10 ECCDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000850435393 589366849 /nfs/dbraw/zinc/36/68/49/589366849.db2.gz NBVGSPIEVKUSRQ-CQSZACIVSA-N 1 0 349.460 0.691 20 10 ECCDRO C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)c1ccc(N2CCOCC2)cc1 ZINC000851631115 589409260 /nfs/dbraw/zinc/40/92/60/589409260.db2.gz WOLRJGKMBALLJA-CYBMUJFWSA-N 1 0 344.419 0.564 20 10 ECCDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000851655095 589410476 /nfs/dbraw/zinc/41/04/76/589410476.db2.gz LUCJCVGMBBDYST-ZFWWWQNUSA-N 1 0 347.463 0.795 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000851684212 589413074 /nfs/dbraw/zinc/41/30/74/589413074.db2.gz CACFIDWXERMMLR-UHFFFAOYSA-N 1 0 330.432 0.627 20 10 ECCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2nnn(C(C)(C)C)n2)cc1 ZINC000852792007 589512073 /nfs/dbraw/zinc/51/20/73/589512073.db2.gz OULFHTJCAOONFI-ZDUSSCGKSA-N 1 0 331.424 0.924 20 10 ECCDRO COc1ccc(N2CC[C@@H](NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000852843916 589517114 /nfs/dbraw/zinc/51/71/14/589517114.db2.gz JVLRRIIBYKYYNZ-CJNGLKHVSA-N 1 0 346.431 0.258 20 10 ECCDRO [NH3+]C[C@@H]1CC(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)=NO1 ZINC000852859916 589518875 /nfs/dbraw/zinc/51/88/75/589518875.db2.gz DWDCEPUCSLEBDR-LBPRGKRZSA-N 1 0 336.367 0.382 20 10 ECCDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852917340 589525907 /nfs/dbraw/zinc/52/59/07/589525907.db2.gz YWXJXWTWUCFOMY-IRXDYDNUSA-N 1 0 333.432 0.628 20 10 ECCDRO C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000861564282 589864090 /nfs/dbraw/zinc/86/40/90/589864090.db2.gz JWCOKEDSZQOKHO-DZGCQCFKSA-N 1 0 347.463 0.877 20 10 ECCDRO COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3COCC[NH2+]3)C2)cc1 ZINC000861647149 589870420 /nfs/dbraw/zinc/87/04/20/589870420.db2.gz CDNYYSWRIAQEFE-CABCVRRESA-N 1 0 348.447 0.809 20 10 ECCDRO C[C@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C[NH2+]1 ZINC000861749512 589886598 /nfs/dbraw/zinc/88/65/98/589886598.db2.gz AXMHNDADGIBTOG-AAEUAGOBSA-N 1 0 336.411 0.765 20 10 ECCDRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C[NH2+]1 ZINC000861755212 589888030 /nfs/dbraw/zinc/88/80/30/589888030.db2.gz PMFHIZFRTVLNCB-GOEBONIOSA-N 1 0 342.443 0.936 20 10 ECCDRO C[C@@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccc(N(C)C)cc1 ZINC000861765906 589889748 /nfs/dbraw/zinc/88/97/48/589889748.db2.gz AQEKTCCTPQQBSG-OCCSQVGLSA-N 1 0 334.420 0.034 20 10 ECCDRO COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])C2)cc1 ZINC000861782551 589891770 /nfs/dbraw/zinc/89/17/70/589891770.db2.gz DXFOCPUGDFAYEX-KGLIPLIRSA-N 1 0 348.447 0.443 20 10 ECCDRO COc1ccc(N2CCCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000863750906 590034122 /nfs/dbraw/zinc/03/41/22/590034122.db2.gz YXLWPGIGWSNZTD-CQSZACIVSA-N 1 0 348.447 0.540 20 10 ECCDRO C[C@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[NH+](C)C ZINC000874098917 590221165 /nfs/dbraw/zinc/22/11/65/590221165.db2.gz WQNDIKMZDWLRKB-CYBMUJFWSA-N 1 0 339.461 0.488 20 10 ECCDRO O=C(NCCCSc1nccs1)NCC[N@H+]1CC[C@H](O)C1 ZINC000875375103 590297371 /nfs/dbraw/zinc/29/73/71/590297371.db2.gz WKXMXDOWFBPOBB-NSHDSACASA-N 1 0 330.479 0.991 20 10 ECCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCc3nnn(C)c3C2)cc1 ZINC000876506113 590383767 /nfs/dbraw/zinc/38/37/67/590383767.db2.gz FFEHORGCDNNVMD-HIFRSBDPSA-N 1 0 342.447 0.802 20 10 ECCDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000876726983 590404989 /nfs/dbraw/zinc/40/49/89/590404989.db2.gz SLRROQZWEFDFLD-SJLPKXTDSA-N 1 0 333.432 0.906 20 10 ECCDRO COc1ccc(N2CCN(C(=O)C[C@@H](C[NH3+])OC)CC2)c(OC)c1 ZINC000877227089 590446257 /nfs/dbraw/zinc/44/62/57/590446257.db2.gz CAUBAIANOXYLHB-AWEZNQCLSA-N 1 0 337.420 0.716 20 10 ECCDRO CCN1CCOC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852595 590481176 /nfs/dbraw/zinc/48/11/76/590481176.db2.gz XCFMTNPDHAGWQH-GOSISDBHSA-N 1 0 346.475 0.775 20 10 ECCDRO CN1CCC[C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000881852649 590481384 /nfs/dbraw/zinc/48/13/84/590481384.db2.gz AVWTZXVLORWXFM-KRWDZBQOSA-N 1 0 344.459 0.923 20 10 ECCDRO CCCNC(=O)CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883074521 590603740 /nfs/dbraw/zinc/60/37/40/590603740.db2.gz ASSYRPRYKKOGFR-UHFFFAOYSA-N 1 0 347.463 0.764 20 10 ECCDRO CNC(=O)C[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883730031 590657142 /nfs/dbraw/zinc/65/71/42/590657142.db2.gz HFVULHJHCIDGMG-CQSZACIVSA-N 1 0 347.463 0.762 20 10 ECCDRO CNS(=O)(=O)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251056 608674396 /nfs/dbraw/zinc/67/43/96/608674396.db2.gz CQMSGIXYGHEKIL-AWEZNQCLSA-N 1 0 342.465 0.021 20 10 ECCDRO C[NH+]1CCN(c2ccc(CN3C(=O)[C@H]4COCCN4C3=O)cc2)CC1 ZINC000925082205 608739989 /nfs/dbraw/zinc/73/99/89/608739989.db2.gz IFBSBNMMDIFDLW-MRXNPFEDSA-N 1 0 344.415 0.601 20 10 ECCDRO COCC[NH2+]CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000237163766 608767094 /nfs/dbraw/zinc/76/70/94/608767094.db2.gz ZACSFPHXVWXJAV-UHFFFAOYSA-N 1 0 325.384 0.719 20 10 ECCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911122249 609808173 /nfs/dbraw/zinc/80/81/73/609808173.db2.gz BLYDRDMNRLSIQD-HIFRSBDPSA-N 1 0 332.448 0.921 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)cc1F ZINC000911115147 609812613 /nfs/dbraw/zinc/81/26/13/609812613.db2.gz SARAEEMPOJHJRB-AWEZNQCLSA-N 1 0 336.411 0.622 20 10 ECCDRO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000911227151 609833015 /nfs/dbraw/zinc/83/30/15/609833015.db2.gz AIZZDAANHFKMKW-SHTZXODSSA-N 1 0 330.432 0.757 20 10 ECCDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000911338616 609858198 /nfs/dbraw/zinc/85/81/98/609858198.db2.gz PLVFTWCCPILYDZ-CZUORRHYSA-N 1 0 349.479 0.196 20 10 ECCDRO COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000923282494 611224083 /nfs/dbraw/zinc/22/40/83/611224083.db2.gz SQCVRTXVQUBGFJ-SJLPKXTDSA-N 1 0 348.491 0.601 20 10 ECCDRO C[C@H](NS(=O)(=O)C1C[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC000923594217 611278915 /nfs/dbraw/zinc/27/89/15/611278915.db2.gz HTACHSQOPQHKKA-LBPRGKRZSA-N 1 0 325.434 0.475 20 10 ECCDRO CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000842034986 611312042 /nfs/dbraw/zinc/31/20/42/611312042.db2.gz AYRCMSPDHYSNKX-HNNXBMFYSA-N 1 0 332.448 0.956 20 10 ECCDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1 ZINC000842632370 611318335 /nfs/dbraw/zinc/31/83/35/611318335.db2.gz KCMMWSYHWWERIM-QMMMGPOBSA-N 1 0 326.378 0.964 20 10 ECCDRO COc1ccc(N2CC[C@@H](CNS(=O)(=O)C3C[NH2+]C3)C2)cc1 ZINC000923650408 611336159 /nfs/dbraw/zinc/33/61/59/611336159.db2.gz MBUCTUMSHZGABM-LBPRGKRZSA-N 1 0 325.434 0.413 20 10 ECCDRO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)cc1 ZINC000970838323 734004264 /nfs/dbraw/zinc/00/42/64/734004264.db2.gz XQJADHMLRAOQPU-OLZOCXBDSA-N 1 0 344.375 0.542 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CN=NC3=O)C2)cc1C ZINC001021990991 758139402 /nfs/dbraw/zinc/13/94/02/758139402.db2.gz ZPWUGQMHVXDRFS-OKILXGFUSA-N 1 0 345.403 0.738 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CNC(=O)N3)C2)cc1C ZINC001022629721 758970584 /nfs/dbraw/zinc/97/05/84/758970584.db2.gz HCDPWHYWWUFQJV-MJBXVCDLSA-N 1 0 332.404 0.422 20 10 ECCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2C)cc1C ZINC001054651044 768128864 /nfs/dbraw/zinc/12/88/64/768128864.db2.gz VCUXTBRIQOMATH-DZGCQCFKSA-N 1 0 344.419 0.627 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C)cc1C ZINC001054980797 768493733 /nfs/dbraw/zinc/49/37/33/768493733.db2.gz ISUPZKPUKQLOKK-JSGCOSHPSA-N 1 0 344.419 0.777 20 10 ECCDRO COc1ccc(C[NH2+][C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]2C)cc1C ZINC001054980796 768493800 /nfs/dbraw/zinc/49/38/00/768493800.db2.gz ISUPZKPUKQLOKK-GXTWGEPZSA-N 1 0 344.419 0.777 20 10 ECCDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)cc1C ZINC001019239141 771043168 /nfs/dbraw/zinc/04/31/68/771043168.db2.gz GNHVOJJABYHKCD-GJZGRUSLSA-N 1 0 331.416 0.830 20 10 ECCDRO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267026262 836644738 /nfs/dbraw/zinc/64/47/38/836644738.db2.gz KOSBLQFZTGLJAU-KBPBESRZSA-N 1 0 349.391 0.660 20 10 ECCDRO CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267817257 838604133 /nfs/dbraw/zinc/60/41/33/838604133.db2.gz KMRHTMUZVMNEKV-KGLIPLIRSA-N 1 0 334.420 0.669 20 10 ECCDRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016386996 436090313 /nfs/dbraw/zinc/09/03/13/436090313.db2.gz UINXQCPCTZBYRW-ZDUSSCGKSA-N 1 0 334.420 0.799 20 10 ECCDRO Cn1cc(/C=C/C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c(=O)n(C)c1=O ZINC000493256592 301526660 /nfs/dbraw/zinc/52/66/60/301526660.db2.gz NWWQLNJQQFWXNP-NPQIQWPPSA-N 1 0 340.383 0.014 20 10 ECCDRO Cc1ccc(O)c(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000119976653 436675903 /nfs/dbraw/zinc/67/59/03/436675903.db2.gz LWCMAOBJOOLAIR-UHFFFAOYSA-N 1 0 333.432 0.677 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)CCC(=O)NC)cc2=O ZINC000263902918 437001411 /nfs/dbraw/zinc/00/14/11/437001411.db2.gz DHXSONONRABJDS-UHFFFAOYSA-N 1 0 335.364 0.180 20 10 ECCDRO [NH3+][C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC000282410071 437012469 /nfs/dbraw/zinc/01/24/69/437012469.db2.gz CUQCXKCIKDSTFJ-KRWDZBQOSA-N 1 0 333.432 0.893 20 10 ECCDRO COc1c([O-])c(C[NH2+]CC2(O)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278487323 437316254 /nfs/dbraw/zinc/31/62/54/437316254.db2.gz KQMNNJUNAKBRNV-UHFFFAOYSA-N 1 0 325.365 0.855 20 10 ECCDRO COc1ccc(N2CCN(C(=O)C[C@@H](C[NH3+])OC)CC2)cc1F ZINC000278251633 437297396 /nfs/dbraw/zinc/29/73/96/437297396.db2.gz MPTYSOZAUSQQRO-ZDUSSCGKSA-N 1 0 325.384 0.847 20 10 ECCDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1OC ZINC000279352695 437397215 /nfs/dbraw/zinc/39/72/15/437397215.db2.gz GHRDMRDOGMTHEN-MRXNPFEDSA-N 1 0 335.360 0.583 20 10 ECCDRO C[NH+](C)CCN1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CC1=O ZINC000269226185 437470673 /nfs/dbraw/zinc/47/06/73/437470673.db2.gz SAUMUIJMJXSCQR-CYBMUJFWSA-N 1 0 335.404 0.167 20 10 ECCDRO COC(=O)CNC(=O)CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000371634767 437969704 /nfs/dbraw/zinc/96/97/04/437969704.db2.gz NAOOGXASVBWDST-UHFFFAOYSA-N 1 0 349.431 0.887 20 10 ECCDRO COc1cccc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c1O ZINC000367975072 438273162 /nfs/dbraw/zinc/27/31/62/438273162.db2.gz VOMBRPCOOMXJAT-UHFFFAOYSA-N 1 0 343.449 0.715 20 10 ECCDRO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](CC(N)=O)C1)cc2=O ZINC000377599497 438315145 /nfs/dbraw/zinc/31/51/45/438315145.db2.gz FJPDUVSESYSTNE-JTQLQIEISA-N 1 0 347.375 0.309 20 10 ECCDRO C[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000750610370 579355383 /nfs/dbraw/zinc/35/53/83/579355383.db2.gz WQJZMZSWZSXZKM-DZGCQCFKSA-N 1 0 332.448 0.955 20 10 ECCDRO COc1ccc(N2CCN(C[C@@H](O)C[N@H+](C)[C@@H](C)CO)CC2)cc1 ZINC000754069985 579412251 /nfs/dbraw/zinc/41/22/51/579412251.db2.gz JDNCHUUCSADBJS-RDJZCZTQSA-N 1 0 337.464 0.491 20 10 ECCDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000788602456 578840500 /nfs/dbraw/zinc/84/05/00/578840500.db2.gz NQAXXIBONBABHU-CHWSQXEVSA-N 1 0 341.433 0.976 20 10 ECCDRO CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768444431 579125529 /nfs/dbraw/zinc/12/55/29/579125529.db2.gz BFESQXARZRMTPJ-SMDDNHRTSA-N 1 0 342.417 0.332 20 10 ECCDRO COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000769529738 579146296 /nfs/dbraw/zinc/14/62/96/579146296.db2.gz ONYINGUVPHAGMN-ZDUSSCGKSA-N 1 0 335.404 0.427 20 10 ECCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000771965328 579198548 /nfs/dbraw/zinc/19/85/48/579198548.db2.gz XQTQEQXIRQGBNW-CQSZACIVSA-N 1 0 349.431 0.424 20 10 ECCDRO C[NH+]1CCN(c2ccc(CN3CCN4C(=O)NC[C@@H]4C3)cc2)CC1 ZINC000775736772 579270630 /nfs/dbraw/zinc/27/06/30/579270630.db2.gz JOILOJUUAPCXMS-QGZVFWFLSA-N 1 0 329.448 0.648 20 10 ECCDRO 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